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 3hgp_1_A DATA FIRST_RESID 16 DATA SEQUENCE VVGGTEAQRN SWPSQISLQY SSWAHTcGGT LIRQNWVMTA AHcVDRELTR DATA SEQUENCE VVVGEHNLNQ NDGTEQYVGV QKIVVHPYWN TDDAGYDIAL LRLAQSVTLN DATA SEQUENCE SYVQLGVLPR AGTILANNSP cYITGWGLTR XTNGQLAQTL QQAYLPTVDY DATA SEQUENCE AIcSSYWGST VKNSMVcAGG DGRSGcQGDS GGPLHcLVNG QYAVHGVTSF DATA SEQUENCE VRLGcVTRKP TVFTRVSAYI SWINNVIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 V HA 0.000 4.147 4.120 0.045 0.000 0.244 16 V C 0.000 176.119 176.094 0.042 0.000 1.182 16 V CA 0.000 62.322 62.300 0.037 0.000 1.235 16 V CB 0.000 31.830 31.823 0.012 0.000 1.184 17 V N 6.259 126.201 119.914 0.047 0.000 2.583 17 V HA 0.058 4.405 4.120 0.044 -0.201 0.287 17 V C 1.144 177.267 176.094 0.049 0.000 1.051 17 V CA -0.945 61.383 62.300 0.046 0.000 1.010 17 V CB -0.114 31.736 31.823 0.044 0.000 0.988 17 V HN 0.450 8.670 8.190 0.050 0.000 0.478 18 G N 7.355 116.184 108.800 0.048 0.000 2.176 18 G HA2 -0.399 3.591 3.960 0.050 0.000 0.252 18 G HA3 -0.399 3.713 3.960 0.056 -0.120 0.252 18 G C -0.823 174.117 174.900 0.066 0.000 1.024 18 G CA 0.338 45.471 45.100 0.054 0.000 0.755 18 G HN 0.620 8.936 8.290 0.044 0.000 0.507 19 G N -1.665 107.171 108.800 0.059 0.000 2.580 19 G HA2 0.301 4.454 3.960 0.086 0.000 0.278 19 G HA3 0.301 4.290 3.960 0.047 0.000 0.278 19 G C -1.174 173.768 174.900 0.069 0.000 1.212 19 G CA -0.972 44.168 45.100 0.066 0.000 0.939 19 G HN -0.608 7.691 8.290 0.050 0.021 0.513 20 T N -3.997 110.605 114.554 0.081 0.000 2.916 20 T HA 0.273 4.660 4.350 0.062 0.000 0.292 20 T C -1.556 173.181 174.700 0.063 0.000 1.055 20 T CA -1.970 60.174 62.100 0.074 0.000 1.009 20 T CB 2.603 71.525 68.868 0.091 0.000 1.118 20 T HN 0.382 8.680 8.240 0.095 0.000 0.497 21 E N 3.407 123.644 120.200 0.062 0.000 2.324 21 E HA -0.135 4.383 4.350 0.047 -0.140 0.271 21 E C -0.282 176.381 176.600 0.105 0.000 1.028 21 E CA -0.005 56.440 56.400 0.076 0.000 0.890 21 E CB 0.683 30.443 29.700 0.100 0.000 1.004 21 E HN 0.262 8.658 8.360 0.061 0.000 0.431 22 A N 7.834 130.737 122.820 0.138 0.000 2.462 22 A HA -0.063 4.476 4.320 0.139 -0.135 0.243 22 A C -0.059 177.609 177.584 0.140 0.000 1.076 22 A CA 0.266 52.408 52.037 0.174 0.000 0.773 22 A CB 0.951 20.125 19.000 0.290 0.000 1.010 22 A HN 0.107 8.318 8.150 0.102 0.000 0.493 23 Q N 1.061 120.849 119.800 -0.021 0.000 2.395 23 Q HA -0.159 4.123 4.340 -0.098 0.000 0.271 23 Q C 1.664 177.593 176.000 -0.119 0.000 1.026 23 Q CA 0.073 55.813 55.803 -0.104 0.000 0.900 23 Q CB 0.727 29.364 28.738 -0.168 0.000 1.266 23 Q HN 0.306 8.538 8.270 -0.064 0.000 0.430 24 R N -0.492 119.889 120.500 -0.198 0.000 2.237 24 R HA -0.261 4.020 4.340 -0.099 0.000 0.219 24 R C -0.404 175.935 176.300 0.065 0.000 1.080 24 R CA 2.228 58.252 56.100 -0.127 0.000 0.995 24 R CB -0.069 30.101 30.300 -0.217 0.000 0.875 24 R HN 0.483 8.621 8.270 -0.220 0.000 0.462 25 N N -5.769 112.890 118.700 -0.068 0.000 2.204 25 N HA 0.099 4.786 4.740 -0.088 0.000 0.219 25 N C -0.312 175.019 175.510 -0.299 0.000 1.151 25 N CA -1.099 51.859 53.050 -0.154 0.000 0.867 25 N CB -0.659 37.684 38.487 -0.242 0.000 1.043 25 N HN -0.283 7.978 8.380 -0.119 0.048 0.516 26 S N 0.203 115.632 115.700 -0.453 0.000 2.387 26 S HA -0.128 3.829 4.470 -0.855 0.000 0.226 26 S C 0.499 174.446 174.600 -1.090 0.000 1.026 26 S CA 2.755 60.370 58.200 -0.975 0.000 0.972 26 S CB 0.626 62.947 63.200 -1.465 0.000 0.814 26 S HN -0.530 7.566 8.310 -0.357 0.000 0.477 27 W N -2.239 118.939 121.300 -0.204 0.000 1.683 27 W HA 0.517 4.990 4.660 -0.313 0.000 0.295 27 W C -1.792 174.704 176.519 -0.038 0.000 0.865 27 W CA -2.716 54.494 57.345 -0.225 0.000 2.079 27 W CB -0.501 28.781 29.460 -0.297 0.000 2.263 27 W HN -0.149 7.885 8.180 -0.244 0.000 0.427 28 P HA -0.024 4.583 4.420 0.154 -0.095 0.234 28 P C 0.026 177.426 177.300 0.166 0.000 1.167 28 P CA 1.170 64.345 63.100 0.126 0.000 0.763 28 P CB 0.206 31.927 31.700 0.035 0.000 0.835 29 S N -2.706 113.121 115.700 0.210 0.000 2.528 29 S HA 0.134 4.857 4.470 0.165 -0.153 0.219 29 S C 0.113 174.846 174.600 0.222 0.000 0.985 29 S CA 0.898 59.221 58.200 0.205 0.000 0.914 29 S CB -0.124 63.204 63.200 0.214 0.000 0.776 29 S HN -0.100 8.299 8.310 0.241 0.056 0.526 30 Q N 3.619 123.579 119.800 0.268 0.000 2.311 30 Q HA 0.026 4.649 4.340 0.225 -0.148 0.272 30 Q C -0.161 176.010 176.000 0.284 0.000 1.012 30 Q CA 0.872 56.827 55.803 0.254 0.000 0.891 30 Q CB 0.616 29.484 28.738 0.215 0.000 1.201 30 Q HN -0.804 7.603 8.270 0.298 0.042 0.391 31 I N 0.476 121.218 120.570 0.288 0.000 2.957 31 I HA 0.687 5.104 4.170 0.276 -0.082 0.310 31 I C -1.931 174.414 176.117 0.379 0.000 1.063 31 I CA -2.492 58.971 61.300 0.271 0.000 1.033 31 I CB 3.882 41.967 38.000 0.143 0.000 1.230 31 I HN 0.141 8.506 8.210 0.259 0.000 0.447 32 S N 0.624 116.444 115.700 0.200 0.000 2.433 32 S HA 0.336 5.007 4.470 0.334 0.000 0.310 32 S C -1.322 173.296 174.600 0.030 0.000 1.097 32 S CA -1.691 56.582 58.200 0.123 0.000 1.103 32 S CB 1.385 64.443 63.200 -0.236 0.000 0.992 32 S HN 0.019 8.392 8.310 0.106 0.000 0.469 33 L N 8.861 130.080 121.223 -0.007 0.000 2.264 33 L HA 0.634 5.110 4.340 -0.017 -0.146 0.289 33 L C -2.087 174.734 176.870 -0.082 0.000 1.044 33 L CA -0.884 53.931 54.840 -0.040 0.000 0.807 33 L CB 2.171 44.213 42.059 -0.028 0.000 1.192 33 L HN 0.627 8.858 8.230 0.002 0.000 0.425 34 Q N 4.919 124.731 119.800 0.020 0.000 2.387 34 Q HA 0.824 5.328 4.340 0.033 -0.144 0.273 34 Q C -0.773 175.420 176.000 0.323 0.000 1.089 34 Q CA -2.035 53.828 55.803 0.099 0.000 0.824 34 Q CB 4.248 33.042 28.738 0.093 0.000 1.367 34 Q HN 0.444 8.729 8.270 0.025 0.000 0.443 35 Y N -0.850 119.606 120.300 0.260 0.000 2.833 35 Y HA 0.971 5.917 4.550 0.316 -0.206 0.323 35 Y C 1.536 177.477 175.900 0.068 0.000 1.220 35 Y CA -3.757 54.474 58.100 0.219 0.000 1.174 35 Y CB 2.010 40.510 38.460 0.067 0.000 1.404 35 Y HN 0.640 8.900 8.280 -0.032 0.000 0.607 36 S N 1.153 116.759 115.700 -0.156 0.000 2.498 36 S HA -0.451 3.943 4.470 -0.127 0.000 0.274 36 S C 0.328 174.838 174.600 -0.150 0.000 0.980 36 S CA 2.203 60.325 58.200 -0.130 0.000 0.964 36 S CB -0.545 62.612 63.200 -0.072 0.000 0.728 36 S HN 0.101 8.334 8.310 -0.128 0.000 0.521 37 S N 0.697 116.250 115.700 -0.244 0.000 2.811 37 S HA 0.226 4.646 4.470 -0.083 0.000 0.311 37 S C -1.990 172.346 174.600 -0.439 0.000 1.152 37 S CA -0.278 57.802 58.200 -0.200 0.000 0.864 37 S CB 1.634 64.768 63.200 -0.110 0.000 1.226 37 S HN -0.494 7.648 8.310 -0.279 0.000 0.541 38 W N -0.545 120.666 121.300 -0.147 0.000 2.819 38 W HA 0.210 4.909 4.660 -0.238 -0.182 0.337 38 W C -1.017 175.340 176.519 -0.270 0.000 1.077 38 W CA -1.147 56.076 57.345 -0.203 0.000 1.226 38 W CB 2.428 31.806 29.460 -0.136 0.000 1.419 38 W HN -0.373 7.867 8.180 0.099 0.000 0.502 39 A N 1.494 124.163 122.820 -0.251 0.000 2.356 39 A HA 0.482 4.714 4.320 -0.146 0.000 0.310 39 A C -2.050 175.407 177.584 -0.212 0.000 1.075 39 A CA -1.857 49.981 52.037 -0.331 0.000 0.746 39 A CB 3.500 22.134 19.000 -0.610 0.000 1.221 39 A HN 0.647 8.574 8.150 -0.373 0.000 0.443 40 H N 4.776 123.778 119.070 -0.113 0.000 2.964 40 H HA -0.195 4.342 4.556 -0.031 0.000 0.328 40 H C -0.294 175.097 175.328 0.105 0.000 1.030 40 H CA 1.662 57.689 56.048 -0.034 0.000 1.445 40 H CB 0.163 29.866 29.762 -0.099 0.000 1.449 40 H HN 0.643 8.967 8.280 0.073 0.000 0.581 41 T N 5.149 119.487 114.554 -0.360 0.000 2.989 41 T HA 0.204 4.613 4.350 0.099 0.000 0.250 41 T C -1.002 173.558 174.700 -0.233 0.000 0.981 41 T CA 0.740 62.795 62.100 -0.074 0.000 0.980 41 T CB 1.298 70.285 68.868 0.199 0.000 1.133 41 T HN 0.374 8.308 8.240 -0.511 0.000 0.489 42 c N -1.432 116.885 118.600 -0.472 0.000 3.288 42 c HA 0.327 5.016 4.570 0.006 -0.116 0.318 42 c C -1.276 172.808 174.090 -0.009 0.000 1.356 42 c CA -0.519 55.730 56.329 -0.133 0.000 1.359 42 c CB 4.089 46.551 42.510 -0.080 0.000 1.688 42 c HN -0.530 7.293 8.230 -0.680 0.000 0.467 43 G N -0.851 108.064 108.800 0.191 0.000 2.543 43 G HA2 0.619 4.967 3.960 0.386 0.000 0.290 43 G HA3 0.619 4.740 3.960 0.269 0.000 0.290 43 G C -2.263 172.714 174.900 0.128 0.000 1.310 43 G CA -1.122 44.134 45.100 0.260 0.000 1.025 43 G HN 0.287 8.683 8.290 0.176 0.000 0.502 44 G N -3.752 105.135 108.800 0.146 0.000 2.559 44 G HA2 0.545 4.855 3.960 0.067 0.000 0.291 44 G HA3 0.545 4.558 3.960 0.090 0.000 0.291 44 G C -2.611 172.356 174.900 0.113 0.000 1.424 44 G CA 0.227 45.386 45.100 0.097 0.000 0.786 44 G HN -0.663 7.746 8.290 0.199 0.000 0.485 45 T N 2.258 116.869 114.554 0.095 0.000 2.812 45 T HA 0.559 5.184 4.350 0.125 -0.200 0.282 45 T C -1.290 173.478 174.700 0.115 0.000 0.990 45 T CA -0.524 61.639 62.100 0.105 0.000 0.960 45 T CB 2.821 71.732 68.868 0.073 0.000 0.948 45 T HN 0.374 8.665 8.240 0.085 0.000 0.438 46 L N 8.219 129.517 121.223 0.124 0.000 2.418 46 L HA -0.041 4.485 4.340 0.121 -0.113 0.274 46 L C -1.136 175.805 176.870 0.119 0.000 1.135 46 L CA 0.679 55.590 54.840 0.119 0.000 0.870 46 L CB 0.625 42.749 42.059 0.109 0.000 1.154 46 L HN 0.476 8.786 8.230 0.134 0.000 0.462 47 I N 1.262 121.911 120.570 0.132 0.000 4.323 47 I HA 0.461 4.687 4.170 0.093 0.000 0.328 47 I C -0.359 175.825 176.117 0.111 0.000 1.310 47 I CA -0.371 60.993 61.300 0.108 0.000 1.186 47 I CB 1.998 40.047 38.000 0.082 0.000 1.130 47 I HN 0.661 8.965 8.210 0.157 0.000 0.411 48 R N -0.842 119.760 120.500 0.170 0.000 2.855 48 R HA 0.340 4.754 4.340 0.122 0.000 0.266 48 R C 0.243 176.632 176.300 0.148 0.000 1.034 48 R CA -2.642 53.562 56.100 0.173 0.000 0.944 48 R CB 1.659 32.130 30.300 0.285 0.000 1.219 48 R HN -0.660 7.735 8.270 0.208 0.000 0.474 49 Q N -0.084 119.781 119.800 0.109 0.000 2.291 49 Q HA -0.326 4.050 4.340 0.059 0.000 0.206 49 Q C -0.235 175.787 176.000 0.036 0.000 0.976 49 Q CA 3.529 59.371 55.803 0.064 0.000 0.875 49 Q CB 0.202 28.967 28.738 0.044 0.000 0.927 49 Q HN 0.649 8.984 8.270 0.108 0.000 0.450 50 N N -4.591 114.132 118.700 0.039 0.000 2.291 50 N HA 0.109 4.783 4.740 -0.109 0.000 0.244 50 N C -1.835 173.511 175.510 -0.272 0.000 1.216 50 N CA -1.355 51.627 53.050 -0.115 0.000 0.879 50 N CB -0.162 38.214 38.487 -0.185 0.000 1.167 50 N HN 0.009 8.417 8.380 0.113 0.040 0.515 51 W N -1.793 119.505 121.300 -0.004 0.000 2.998 51 W HA 0.629 5.512 4.660 -0.009 -0.229 0.335 51 W C -1.638 174.885 176.519 0.007 0.000 1.110 51 W CA -0.556 56.785 57.345 -0.006 0.000 1.230 51 W CB 3.995 33.444 29.460 -0.019 0.000 1.405 51 W HN -0.402 7.790 8.180 0.200 0.109 0.493 52 V N 2.547 122.618 119.914 0.262 0.000 2.555 52 V HA 0.559 4.940 4.120 0.163 -0.163 0.302 52 V C -1.827 174.381 176.094 0.190 0.000 1.038 52 V CA -1.918 60.487 62.300 0.176 0.000 0.887 52 V CB 4.044 35.928 31.823 0.102 0.000 0.991 52 V HN 0.797 9.145 8.190 0.263 0.000 0.434 53 M N 8.235 127.920 119.600 0.142 0.000 2.157 53 M HA 0.659 5.375 4.480 0.145 -0.149 0.354 53 M C -1.735 174.608 176.300 0.072 0.000 1.170 53 M CA -0.703 54.668 55.300 0.119 0.000 1.060 53 M CB 2.130 34.791 32.600 0.102 0.000 1.615 53 M HN 0.532 8.900 8.290 0.130 0.000 0.460 54 T N 5.453 120.031 114.554 0.040 0.000 2.654 54 T HA 0.589 5.138 4.350 -0.021 -0.212 0.289 54 T C -2.127 172.505 174.700 -0.113 0.000 1.062 54 T CA -2.795 59.287 62.100 -0.030 0.000 1.041 54 T CB 2.533 71.383 68.868 -0.030 0.000 1.417 54 T HN 0.403 8.679 8.240 0.061 0.000 0.510 55 A N -0.581 122.103 122.820 -0.227 0.000 2.331 55 A HA 0.283 4.554 4.320 -0.334 -0.152 0.283 55 A C 0.584 177.873 177.584 -0.491 0.000 1.142 55 A CA -0.892 50.908 52.037 -0.394 0.000 0.812 55 A CB 0.902 19.547 19.000 -0.592 0.000 1.074 55 A HN 0.398 8.416 8.150 -0.220 0.000 0.497 56 A N 5.152 127.592 122.820 -0.633 0.000 1.917 56 A HA -0.292 3.735 4.320 -0.488 0.000 0.219 56 A C 1.798 178.940 177.584 -0.736 0.000 1.182 56 A CA 3.124 54.683 52.037 -0.798 0.000 0.633 56 A CB -0.635 17.503 19.000 -1.436 0.000 0.819 56 A HN 0.628 8.431 8.150 -0.629 -0.030 0.448 57 H N -4.966 113.651 119.070 -0.756 0.000 2.521 57 H HA -0.184 4.465 4.556 -0.081 -0.142 0.286 57 H C 0.805 176.073 175.328 -0.100 0.000 1.034 57 H CA 2.364 58.264 56.048 -0.247 0.000 1.278 57 H CB -0.815 28.924 29.762 -0.039 0.000 1.386 57 H HN -0.142 7.863 8.280 -0.914 -0.274 0.567 58 c N -2.747 115.605 118.600 -0.414 0.000 2.450 58 c HA -0.127 4.376 4.570 -0.112 0.000 0.279 58 c C 1.481 175.521 174.090 -0.084 0.000 1.335 58 c CA 2.415 58.620 56.329 -0.207 0.000 1.749 58 c CB -0.689 41.671 42.510 -0.251 0.000 1.963 58 c HN -0.303 7.397 8.230 -0.641 0.146 0.501 59 V N -5.721 114.139 119.914 -0.090 0.000 3.477 59 V HA 0.261 4.376 4.120 -0.008 0.000 0.297 59 V C -0.547 175.557 176.094 0.017 0.000 1.433 59 V CA -0.078 62.208 62.300 -0.025 0.000 1.052 59 V CB -0.085 31.725 31.823 -0.021 0.000 0.895 59 V HN -0.517 7.440 8.190 -0.148 0.144 0.438 60 D N 2.875 123.301 120.400 0.043 0.000 3.085 60 D HA 0.026 4.734 4.640 0.114 0.000 0.243 60 D C -0.785 175.583 176.300 0.113 0.000 1.232 60 D CA -0.733 53.343 54.000 0.128 0.000 0.913 60 D CB -1.950 39.020 40.800 0.284 0.000 1.108 60 D HN -0.486 7.895 8.370 0.019 0.000 0.468 61 R N -1.121 119.416 120.500 0.062 0.000 2.707 61 R HA 0.088 4.450 4.340 0.037 0.000 0.272 61 R C -0.860 175.446 176.300 0.009 0.000 1.011 61 R CA -0.858 55.259 56.100 0.028 0.000 0.893 61 R CB 3.135 33.432 30.300 -0.004 0.000 1.233 61 R HN -0.755 7.476 8.270 0.053 0.071 0.464 62 E N 2.168 122.364 120.200 -0.007 0.000 1.802 62 E HA 0.102 4.455 4.350 0.005 0.000 0.265 62 E C -1.240 175.341 176.600 -0.031 0.000 1.168 62 E CA -0.286 56.109 56.400 -0.009 0.000 1.033 62 E CB -1.531 28.163 29.700 -0.009 0.000 1.095 62 E HN 0.365 8.718 8.360 -0.012 0.000 0.436 63 L N 1.089 122.304 121.223 -0.014 0.000 2.415 63 L HA 0.291 4.624 4.340 -0.010 0.000 0.256 63 L C -0.452 176.453 176.870 0.058 0.000 1.010 63 L CA -1.107 53.732 54.840 -0.001 0.000 0.826 63 L CB 3.015 45.049 42.059 -0.042 0.000 1.405 63 L HN -0.501 7.694 8.230 0.003 0.036 0.410 64 T N 1.944 116.556 114.554 0.097 0.000 2.952 64 T HA 0.642 5.065 4.350 0.122 0.000 0.286 64 T C -1.872 172.995 174.700 0.280 0.000 1.024 64 T CA -0.399 61.785 62.100 0.138 0.000 1.029 64 T CB 1.582 70.503 68.868 0.088 0.000 1.094 64 T HN 0.343 8.639 8.240 0.093 0.000 0.515 65 R N 0.016 120.563 120.500 0.079 0.000 2.728 65 R HA 0.514 4.851 4.340 -0.119 -0.069 0.274 65 R C -3.059 173.168 176.300 -0.122 0.000 1.032 65 R CA -0.475 55.515 56.100 -0.183 0.000 0.866 65 R CB 3.040 32.932 30.300 -0.680 0.000 1.263 65 R HN 0.666 9.032 8.270 0.160 0.000 0.475 66 V N 0.691 120.530 119.914 -0.124 0.000 2.513 66 V HA 0.742 4.989 4.120 -0.066 -0.167 0.299 66 V C -1.808 174.209 176.094 -0.130 0.000 1.035 66 V CA -2.043 60.205 62.300 -0.088 0.000 0.889 66 V CB 3.306 35.097 31.823 -0.052 0.000 0.988 66 V HN 0.501 8.610 8.190 -0.136 0.000 0.440 67 V N 6.722 126.555 119.914 -0.135 0.000 2.378 67 V HA 0.574 4.679 4.120 -0.332 -0.184 0.288 67 V C -0.561 175.450 176.094 -0.139 0.000 1.016 67 V CA -2.049 60.104 62.300 -0.245 0.000 0.840 67 V CB 0.788 32.418 31.823 -0.321 0.000 0.994 67 V HN 0.530 8.663 8.190 -0.095 0.000 0.431 68 V N 1.922 121.750 119.914 -0.144 0.000 2.834 68 V HA 0.468 4.608 4.120 0.035 0.000 0.313 68 V C 0.694 176.757 176.094 -0.052 0.000 1.060 68 V CA -3.152 59.129 62.300 -0.033 0.000 0.989 68 V CB 1.439 33.259 31.823 -0.004 0.000 1.041 68 V HN 0.123 8.191 8.190 -0.203 0.000 0.459 69 G N 0.854 109.689 108.800 0.059 0.000 2.179 69 G HA2 -0.550 3.635 3.960 0.157 0.000 0.257 69 G HA3 -0.550 3.604 3.960 0.017 -0.183 0.257 69 G C -1.530 173.384 174.900 0.023 0.000 1.010 69 G CA 0.889 46.028 45.100 0.064 0.000 0.736 69 G HN 0.574 8.930 8.290 0.111 0.000 0.513 70 E N -1.027 119.230 120.200 0.094 0.000 2.227 70 E HA 0.057 4.415 4.350 0.014 0.000 0.282 70 E C -1.219 175.635 176.600 0.423 0.000 1.015 70 E CA -1.003 55.464 56.400 0.111 0.000 0.823 70 E CB 1.184 30.849 29.700 -0.058 0.000 1.081 70 E HN -0.318 8.083 8.360 0.136 0.041 0.396 71 H N 7.826 127.049 119.070 0.254 0.000 2.408 71 H HA 0.188 5.022 4.556 0.464 0.000 0.271 71 H C -0.563 175.025 175.328 0.433 0.000 0.957 71 H CA 1.733 57.990 56.048 0.347 0.000 1.170 71 H CB 2.930 32.781 29.762 0.149 0.000 1.458 71 H HN 0.342 9.047 8.280 0.261 -0.268 0.491 72 N N -0.641 118.165 118.700 0.177 0.000 2.443 72 N HA 0.309 5.326 4.740 0.088 -0.223 0.269 72 N C 1.208 176.700 175.510 -0.030 0.000 0.985 72 N CA -1.509 51.589 53.050 0.080 0.000 0.921 72 N CB 0.890 39.439 38.487 0.104 0.000 1.195 72 N HN -0.368 8.594 8.380 0.200 -0.462 0.492 73 L N 6.035 127.162 121.223 -0.160 0.000 2.265 73 L HA -0.173 3.970 4.340 -0.327 0.000 0.215 73 L C 1.030 177.838 176.870 -0.102 0.000 1.117 73 L CA 2.213 56.893 54.840 -0.266 0.000 0.782 73 L CB -0.093 41.734 42.059 -0.387 0.000 0.914 73 L HN 0.667 8.826 8.230 -0.118 0.000 0.441 74 N N -3.890 114.785 118.700 -0.042 0.000 2.203 74 N HA 0.116 4.846 4.740 -0.017 0.000 0.207 74 N C -1.304 174.211 175.510 0.007 0.000 1.130 74 N CA 0.422 53.465 53.050 -0.012 0.000 0.861 74 N CB 1.235 39.721 38.487 -0.001 0.000 1.005 74 N HN -0.388 8.217 8.380 -0.030 -0.244 0.507 75 Q N -1.269 118.541 119.800 0.017 0.000 2.416 75 Q HA 0.180 4.534 4.340 0.023 0.000 0.281 75 Q C -1.928 174.093 176.000 0.036 0.000 1.067 75 Q CA -1.346 54.474 55.803 0.028 0.000 0.809 75 Q CB 3.518 32.279 28.738 0.039 0.000 1.418 75 Q HN -0.812 7.465 8.270 0.012 0.000 0.411 76 N N 2.480 121.200 118.700 0.033 0.000 2.416 76 N HA -0.276 4.623 4.740 0.056 -0.125 0.265 76 N C -0.374 175.150 175.510 0.023 0.000 1.195 76 N CA 0.466 53.538 53.050 0.038 0.000 0.943 76 N CB -0.163 38.341 38.487 0.029 0.000 1.115 76 N HN 0.234 8.630 8.380 0.027 0.000 0.481 77 D N 6.994 127.403 120.400 0.015 0.000 2.234 77 D HA -0.021 4.618 4.640 -0.002 0.000 0.205 77 D C 1.149 177.406 176.300 -0.072 0.000 0.962 77 D CA 1.720 55.707 54.000 -0.020 0.000 0.855 77 D CB 0.748 41.533 40.800 -0.025 0.000 0.951 77 D HN 0.206 9.054 8.370 0.023 -0.464 0.500 78 G N -1.357 107.411 108.800 -0.054 0.000 2.136 78 G HA2 -0.328 3.614 3.960 -0.030 0.000 0.242 78 G HA3 -0.328 3.594 3.960 -0.064 0.000 0.242 78 G C 0.041 174.870 174.900 -0.119 0.000 0.989 78 G CA 0.936 45.998 45.100 -0.064 0.000 0.682 78 G HN -0.277 8.290 8.290 -0.024 -0.291 0.522 79 T N -6.337 108.115 114.554 -0.171 0.000 3.087 79 T HA -0.008 4.236 4.350 -0.177 0.000 0.283 79 T C 0.036 174.649 174.700 -0.145 0.000 0.956 79 T CA -1.384 60.578 62.100 -0.230 0.000 0.894 79 T CB 0.990 69.503 68.868 -0.592 0.000 1.160 79 T HN -0.211 7.893 8.240 -0.146 0.048 0.532 80 E N 2.373 122.480 120.200 -0.155 0.000 2.373 80 E HA 0.212 4.707 4.350 -0.266 -0.305 0.263 80 E C -0.545 175.892 176.600 -0.271 0.000 1.073 80 E CA 0.539 56.766 56.400 -0.289 0.000 0.894 80 E CB 0.522 29.910 29.700 -0.521 0.000 1.008 80 E HN -0.133 8.154 8.360 -0.122 0.000 0.420 81 Q N 1.743 121.342 119.800 -0.334 0.000 2.321 81 Q HA 0.290 4.541 4.340 -0.147 0.000 0.270 81 Q C -1.162 174.609 176.000 -0.381 0.000 1.032 81 Q CA -1.176 54.485 55.803 -0.237 0.000 0.784 81 Q CB 2.717 31.395 28.738 -0.099 0.000 1.264 81 Q HN 0.276 8.349 8.270 -0.329 0.000 0.448 82 Y N 3.035 123.273 120.300 -0.105 0.000 2.335 82 Y HA 0.605 5.184 4.550 -0.184 -0.139 0.339 82 Y C -0.205 175.600 175.900 -0.160 0.000 0.987 82 Y CA -0.885 57.114 58.100 -0.169 0.000 1.140 82 Y CB 1.474 39.803 38.460 -0.218 0.000 1.173 82 Y HN 0.251 8.560 8.280 0.049 0.000 0.486 83 V N 5.091 124.969 119.914 -0.061 0.000 2.888 83 V HA 0.330 4.417 4.120 -0.055 0.000 0.309 83 V C -1.788 174.245 176.094 -0.102 0.000 1.114 83 V CA -2.296 59.961 62.300 -0.073 0.000 0.940 83 V CB 4.736 36.518 31.823 -0.068 0.000 1.021 83 V HN 0.532 8.666 8.190 -0.093 0.000 0.426 84 G N 3.649 112.400 108.800 -0.081 0.000 2.569 84 G HA2 0.117 4.033 3.960 -0.073 0.000 0.249 84 G HA3 0.117 4.053 3.960 -0.041 0.000 0.249 84 G C -1.600 173.261 174.900 -0.064 0.000 1.216 84 G CA -0.792 44.270 45.100 -0.063 0.000 0.845 84 G HN 0.250 8.500 8.290 -0.067 0.000 0.568 85 V N 2.129 122.021 119.914 -0.037 0.000 2.348 85 V HA -0.064 4.009 4.120 -0.079 0.000 0.270 85 V C -0.988 175.079 176.094 -0.046 0.000 1.037 85 V CA -0.271 62.001 62.300 -0.046 0.000 0.872 85 V CB -0.270 31.548 31.823 -0.009 0.000 1.002 85 V HN 0.048 8.231 8.190 -0.011 0.000 0.464 86 Q N 8.808 128.552 119.800 -0.093 0.000 2.259 86 Q HA -0.099 4.209 4.340 -0.053 0.000 0.201 86 Q C 0.021 175.975 176.000 -0.077 0.000 0.938 86 Q CA 1.562 57.313 55.803 -0.086 0.000 0.872 86 Q CB 1.496 30.161 28.738 -0.123 0.000 0.971 86 Q HN 0.623 8.813 8.270 -0.134 0.000 0.494 87 K N -1.762 118.573 120.400 -0.108 0.000 2.498 87 K HA 0.332 4.640 4.320 -0.019 0.000 0.254 87 K C -2.359 174.232 176.600 -0.016 0.000 0.933 87 K CA -0.495 55.760 56.287 -0.054 0.000 0.806 87 K CB 3.842 36.303 32.500 -0.065 0.000 1.301 87 K HN -0.656 7.501 8.250 -0.156 0.000 0.432 88 I N 4.499 125.095 120.570 0.044 0.000 2.418 88 I HA 0.433 4.808 4.170 0.098 -0.146 0.287 88 I C -0.593 175.603 176.117 0.132 0.000 1.008 88 I CA -1.153 60.199 61.300 0.087 0.000 1.104 88 I CB 1.889 39.930 38.000 0.069 0.000 1.264 88 I HN 0.197 8.433 8.210 0.044 0.000 0.438 89 V N 9.530 129.560 119.914 0.194 0.000 2.325 89 V HA 0.256 4.489 4.120 0.187 0.000 0.280 89 V C -1.496 174.780 176.094 0.304 0.000 1.016 89 V CA -1.604 60.829 62.300 0.222 0.000 0.818 89 V CB 0.503 32.443 31.823 0.194 0.000 1.019 89 V HN 0.803 9.123 8.190 0.218 0.000 0.434 90 V N 6.867 126.930 119.914 0.248 0.000 2.732 90 V HA -0.104 4.132 4.120 0.194 0.000 0.297 90 V C 0.199 176.472 176.094 0.299 0.000 1.060 90 V CA -0.885 61.551 62.300 0.227 0.000 1.038 90 V CB 0.565 32.485 31.823 0.163 0.000 1.003 90 V HN 0.304 8.617 8.190 0.204 0.000 0.481 91 H N 8.416 127.517 119.070 0.053 0.000 3.034 91 H HA -0.017 4.458 4.556 -0.136 0.000 0.324 91 H C 0.063 175.432 175.328 0.069 0.000 1.015 91 H CA 0.515 56.463 56.048 -0.166 0.000 1.429 91 H CB 1.072 30.518 29.762 -0.528 0.000 1.429 91 H HN -0.213 8.126 8.280 0.098 0.000 0.585 92 P HA -0.134 4.350 4.420 0.108 0.000 0.225 92 P C -0.797 176.616 177.300 0.189 0.000 1.148 92 P CA 1.484 64.612 63.100 0.046 0.000 0.779 92 P CB 0.252 31.900 31.700 -0.087 0.000 0.780 93 Y N -5.613 114.741 120.300 0.089 0.000 2.466 93 Y HA -0.049 4.377 4.550 -0.206 0.000 0.272 93 Y C -0.015 175.825 175.900 -0.100 0.000 1.169 93 Y CA -0.902 57.051 58.100 -0.245 0.000 1.285 93 Y CB 1.081 38.929 38.460 -1.020 0.000 1.078 93 Y HN -0.868 7.712 8.280 0.572 0.043 0.523 94 W N 1.440 122.817 121.300 0.128 0.000 2.223 94 W HA -0.200 4.545 4.660 0.142 0.000 0.334 94 W C -1.305 175.251 176.519 0.061 0.000 1.334 94 W CA 0.623 58.035 57.345 0.111 0.000 1.246 94 W CB 0.679 30.203 29.460 0.107 0.000 1.184 94 W HN -0.862 7.577 8.180 0.513 0.049 0.563 95 N N 7.905 126.021 118.700 -0.974 0.000 2.417 95 N HA 0.315 4.715 4.740 -0.565 0.000 0.274 95 N C -0.771 173.925 175.510 -1.357 0.000 0.987 95 N CA -0.859 51.660 53.050 -0.886 0.000 0.912 95 N CB 2.541 40.700 38.487 -0.547 0.000 1.177 95 N HN 0.216 7.964 8.380 -1.053 0.000 0.490 96 T N 4.263 118.388 114.554 -0.715 0.000 2.891 96 T HA -0.349 4.245 4.350 -0.065 -0.283 0.296 96 T C 0.347 174.878 174.700 -0.282 0.000 1.025 96 T CA 2.259 64.181 62.100 -0.296 0.000 1.149 96 T CB 0.227 69.062 68.868 -0.055 0.000 1.007 96 T HN 0.320 8.277 8.240 -0.473 0.000 0.528 97 D N 1.538 121.915 120.400 -0.038 0.000 2.945 97 D HA -0.352 4.345 4.640 0.095 0.000 0.225 97 D C -1.721 174.480 176.300 -0.166 0.000 1.158 97 D CA 1.887 55.875 54.000 -0.019 0.000 0.805 97 D CB -0.955 39.831 40.800 -0.024 0.000 1.098 97 D HN 0.816 9.321 8.370 0.224 0.000 0.426 98 D N -1.047 119.128 120.400 -0.376 0.000 2.846 98 D HA 0.249 4.724 4.640 -0.275 0.000 0.273 98 D C -1.160 174.945 176.300 -0.324 0.000 1.145 98 D CA -0.954 52.814 54.000 -0.387 0.000 1.091 98 D CB 2.628 43.168 40.800 -0.433 0.000 1.364 98 D HN -0.564 7.430 8.370 -0.588 0.023 0.613 99 A N -2.325 120.424 122.820 -0.117 0.000 3.663 99 A HA -0.280 4.015 4.320 -0.041 0.000 0.254 99 A C -1.207 176.407 177.584 0.049 0.000 1.037 99 A CA 0.784 52.793 52.037 -0.046 0.000 1.450 99 A CB -0.920 18.020 19.000 -0.099 0.000 1.014 99 A HN 0.343 8.392 8.150 -0.167 0.000 0.865 100 G N -1.936 106.913 108.800 0.083 0.000 2.681 100 G HA2 -0.285 3.730 3.960 0.091 0.000 0.220 100 G HA3 -0.285 3.605 3.960 -0.116 0.000 0.220 100 G C -0.563 174.493 174.900 0.260 0.000 1.353 100 G CA -0.394 44.741 45.100 0.059 0.000 0.872 100 G HN -0.676 7.659 8.290 0.075 0.000 0.557 101 Y N -5.674 114.688 120.300 0.104 0.000 4.177 101 Y HA -0.456 3.926 4.550 -0.281 0.000 0.227 101 Y C -0.806 175.071 175.900 -0.038 0.000 1.154 101 Y CA 0.277 58.332 58.100 -0.075 0.000 1.887 101 Y CB -2.372 36.058 38.460 -0.051 0.000 1.594 101 Y HN 0.040 8.112 8.280 -0.347 0.000 0.668 102 D N -0.170 120.239 120.400 0.015 0.000 2.558 102 D HA 0.070 4.405 4.640 -0.509 0.000 0.221 102 D C -1.504 174.573 176.300 -0.372 0.000 1.143 102 D CA 0.100 53.956 54.000 -0.240 0.000 1.010 102 D CB -0.977 39.786 40.800 -0.061 0.000 1.068 102 D HN 0.025 8.375 8.370 0.006 0.023 0.511 103 I N 2.158 122.473 120.570 -0.424 0.000 2.841 103 I HA 0.536 4.723 4.170 -0.278 -0.184 0.298 103 I C -3.276 172.725 176.117 -0.193 0.000 1.304 103 I CA -1.232 59.861 61.300 -0.347 0.000 1.019 103 I CB 4.161 41.845 38.000 -0.525 0.000 1.282 103 I HN -0.364 7.566 8.210 -0.406 0.037 0.432 104 A N 5.325 128.148 122.820 0.005 0.000 2.594 104 A HA 0.861 5.537 4.320 0.366 -0.137 0.295 104 A C -2.682 175.062 177.584 0.267 0.000 1.071 104 A CA -1.318 50.834 52.037 0.192 0.000 0.685 104 A CB 3.996 23.015 19.000 0.033 0.000 1.285 104 A HN 0.443 8.585 8.150 -0.012 0.000 0.405 105 L N -0.150 121.270 121.223 0.328 0.000 2.334 105 L HA 0.907 5.596 4.340 0.274 -0.185 0.276 105 L C -1.038 176.035 176.870 0.339 0.000 1.014 105 L CA -1.819 53.206 54.840 0.307 0.000 0.815 105 L CB 3.215 45.388 42.059 0.191 0.000 1.268 105 L HN 0.288 8.746 8.230 0.381 0.000 0.428 106 L N 0.085 121.491 121.223 0.306 0.000 2.325 106 L HA 0.683 5.248 4.340 0.076 -0.179 0.281 106 L C -1.105 175.686 176.870 -0.132 0.000 1.004 106 L CA -1.754 53.146 54.840 0.100 0.000 0.823 106 L CB 1.712 43.797 42.059 0.043 0.000 1.236 106 L HN 0.752 9.181 8.230 0.333 0.000 0.415 107 R N 4.466 124.635 120.500 -0.551 0.000 2.234 107 R HA 0.396 3.984 4.340 -1.549 -0.177 0.324 107 R C -0.924 175.062 176.300 -0.524 0.000 1.054 107 R CA -1.124 54.309 56.100 -1.112 0.000 0.912 107 R CB 1.522 31.031 30.300 -1.319 0.000 1.030 107 R HN 0.334 8.380 8.270 -0.374 0.000 0.455 108 L N 5.286 126.244 121.223 -0.441 0.000 2.418 108 L HA 0.110 4.468 4.340 -0.190 -0.133 0.265 108 L C 0.117 176.860 176.870 -0.211 0.000 1.143 108 L CA -0.114 54.582 54.840 -0.241 0.000 0.809 108 L CB 0.675 42.633 42.059 -0.168 0.000 1.124 108 L HN 0.287 8.079 8.230 -0.545 0.111 0.456 109 A N 1.915 124.653 122.820 -0.136 0.000 2.066 109 A HA -0.127 4.126 4.320 -0.113 0.000 0.218 109 A C -0.071 177.461 177.584 -0.087 0.000 1.157 109 A CA 1.809 53.785 52.037 -0.103 0.000 0.670 109 A CB 0.574 19.534 19.000 -0.067 0.000 0.804 109 A HN 0.460 8.539 8.150 -0.118 0.000 0.453 110 Q N -4.804 114.945 119.800 -0.085 0.000 2.495 110 Q HA 0.239 4.543 4.340 -0.059 0.000 0.287 110 Q C -1.760 174.200 176.000 -0.067 0.000 1.078 110 Q CA -2.098 53.666 55.803 -0.064 0.000 0.793 110 Q CB 3.244 31.957 28.738 -0.042 0.000 1.459 110 Q HN -0.367 7.810 8.270 -0.093 0.037 0.422 111 S N 1.143 116.816 115.700 -0.045 0.000 2.465 111 S HA 0.049 4.676 4.470 -0.035 -0.179 0.279 111 S C 0.278 174.869 174.600 -0.016 0.000 1.201 111 S CA -0.212 57.971 58.200 -0.028 0.000 1.053 111 S CB 0.399 63.593 63.200 -0.010 0.000 0.953 111 S HN 0.214 8.501 8.310 -0.038 0.000 0.488 112 V N 3.544 123.452 119.914 -0.011 0.000 2.881 112 V HA 0.162 4.277 4.120 -0.010 0.000 0.303 112 V C -0.846 175.253 176.094 0.008 0.000 1.070 112 V CA -1.327 60.970 62.300 -0.004 0.000 1.074 112 V CB 0.930 32.750 31.823 -0.005 0.000 1.012 112 V HN 0.059 8.243 8.190 -0.011 0.000 0.482 113 T N -1.889 112.672 114.554 0.011 0.000 2.897 113 T HA -0.008 4.351 4.350 0.016 0.000 0.294 113 T C -0.418 174.297 174.700 0.026 0.000 1.004 113 T CA -1.049 61.061 62.100 0.017 0.000 1.106 113 T CB 1.319 70.197 68.868 0.017 0.000 0.949 113 T HN -0.396 7.848 8.240 0.007 0.000 0.520 114 L N 3.702 124.939 121.223 0.024 0.000 2.360 114 L HA 0.307 4.791 4.340 0.032 -0.125 0.271 114 L C -0.967 175.911 176.870 0.015 0.000 1.057 114 L CA -0.450 54.404 54.840 0.023 0.000 0.803 114 L CB 1.270 43.340 42.059 0.018 0.000 1.207 114 L HN 0.121 8.363 8.230 0.020 0.000 0.445 115 N N 0.853 119.554 118.700 0.003 0.000 3.387 115 N HA 0.103 4.814 4.740 -0.048 0.000 0.294 115 N C -0.780 174.649 175.510 -0.134 0.000 1.519 115 N CA -0.438 52.589 53.050 -0.039 0.000 0.875 115 N CB 0.782 39.285 38.487 0.026 0.000 1.657 115 N HN 0.226 8.610 8.380 0.007 0.000 0.527 116 S N -2.666 112.834 115.700 -0.333 0.000 2.507 116 S HA -0.197 4.094 4.470 -0.299 0.000 0.235 116 S C 0.238 174.508 174.600 -0.549 0.000 0.988 116 S CA 2.560 60.470 58.200 -0.482 0.000 0.944 116 S CB -0.247 62.601 63.200 -0.587 0.000 0.762 116 S HN 0.335 8.438 8.310 -0.346 0.000 0.526 117 Y N -2.381 117.910 120.300 -0.015 0.000 2.449 117 Y HA 0.196 4.745 4.550 -0.002 0.000 0.254 117 Y C -0.772 175.145 175.900 0.027 0.000 1.140 117 Y CA -0.486 57.616 58.100 0.003 0.000 1.272 117 Y CB 1.281 39.745 38.460 0.007 0.000 1.114 117 Y HN -0.332 7.970 8.280 -0.350 -0.232 0.525 118 V N 0.246 120.225 119.914 0.108 0.000 2.498 118 V HA 0.380 4.735 4.120 0.112 -0.168 0.283 118 V C -1.626 174.501 176.094 0.055 0.000 1.015 118 V CA -1.426 60.931 62.300 0.095 0.000 0.867 118 V CB 0.534 32.410 31.823 0.089 0.000 1.025 118 V HN -0.595 7.580 8.190 0.045 0.043 0.441 119 Q N 4.718 124.557 119.800 0.065 0.000 2.456 119 Q HA 0.395 4.760 4.340 0.042 0.000 0.284 119 Q C -1.845 174.203 176.000 0.079 0.000 1.061 119 Q CA -2.152 53.683 55.803 0.054 0.000 0.799 119 Q CB 4.858 33.617 28.738 0.036 0.000 1.445 119 Q HN -0.144 8.075 8.270 0.085 0.102 0.411 120 L N -0.050 121.216 121.223 0.072 0.000 2.416 120 L HA -0.048 4.494 4.340 0.092 -0.147 0.272 120 L C 1.067 177.997 176.870 0.101 0.000 1.161 120 L CA -0.042 54.849 54.840 0.084 0.000 0.845 120 L CB 0.069 42.170 42.059 0.070 0.000 1.119 120 L HN 0.244 8.509 8.230 0.059 0.000 0.464 121 G N 2.966 111.836 108.800 0.116 0.000 2.406 121 G HA2 -0.092 3.970 3.960 0.170 0.000 0.251 121 G HA3 -0.092 3.949 3.960 0.136 0.000 0.251 121 G C -0.767 174.197 174.900 0.107 0.000 1.271 121 G CA -0.575 44.607 45.100 0.137 0.000 0.859 121 G HN 0.333 8.691 8.290 0.113 0.000 0.540 122 V N 4.557 124.545 119.914 0.124 0.000 2.508 122 V HA -0.082 4.081 4.120 0.071 0.000 0.281 122 V C -0.612 175.521 176.094 0.065 0.000 1.041 122 V CA 0.248 62.604 62.300 0.094 0.000 1.016 122 V CB 0.485 32.379 31.823 0.117 0.000 0.984 122 V HN 0.166 8.452 8.190 0.160 0.000 0.478 123 L N 8.425 129.661 121.223 0.022 0.000 2.344 123 L HA 0.473 4.786 4.340 -0.044 0.000 0.272 123 L C -1.489 175.336 176.870 -0.075 0.000 1.035 123 L CA -3.116 51.706 54.840 -0.029 0.000 0.807 123 L CB 0.339 42.389 42.059 -0.015 0.000 1.237 123 L HN 0.191 8.435 8.230 0.024 0.000 0.442 124 P HA 0.070 4.403 4.420 -0.145 0.000 0.274 124 P C -0.886 176.357 177.300 -0.096 0.000 1.237 124 P CA -0.865 62.109 63.100 -0.211 0.000 0.793 124 P CB 0.557 31.956 31.700 -0.502 0.000 0.977 125 R N -0.613 119.857 120.500 -0.050 0.000 2.679 125 R HA -0.170 4.157 4.340 -0.021 0.000 0.268 125 R C 0.034 176.318 176.300 -0.026 0.000 1.044 125 R CA 0.046 56.131 56.100 -0.025 0.000 1.105 125 R CB 0.689 30.984 30.300 -0.008 0.000 0.989 125 R HN 0.258 8.505 8.270 -0.038 0.000 0.447 126 A N 1.185 123.995 122.820 -0.017 0.000 2.584 126 A HA -0.406 4.066 4.320 -0.016 -0.161 0.239 126 A C 1.410 178.983 177.584 -0.017 0.000 1.043 126 A CA 1.324 53.352 52.037 -0.015 0.000 0.756 126 A CB -0.550 18.444 19.000 -0.009 0.000 0.963 126 A HN 0.244 8.386 8.150 -0.013 0.000 0.511 127 G N 4.014 112.800 108.800 -0.024 0.000 2.199 127 G HA2 -0.479 3.459 3.960 -0.036 0.000 0.254 127 G HA3 -0.479 3.467 3.960 -0.022 0.000 0.254 127 G C -0.018 174.878 174.900 -0.007 0.000 0.982 127 G CA -0.141 44.944 45.100 -0.024 0.000 0.632 127 G HN 0.233 8.506 8.290 -0.029 0.000 0.529 128 T N 3.428 117.987 114.554 0.007 0.000 2.888 128 T HA -0.133 4.239 4.350 0.037 0.000 0.301 128 T C -0.958 173.785 174.700 0.072 0.000 1.001 128 T CA 1.797 63.924 62.100 0.045 0.000 1.147 128 T CB 0.473 69.384 68.868 0.071 0.000 0.931 128 T HN -0.490 7.680 8.240 -0.004 0.068 0.541 129 I N 4.626 125.231 120.570 0.058 0.000 2.465 129 I HA 0.211 4.420 4.170 0.066 0.000 0.291 129 I C -0.511 175.622 176.117 0.028 0.000 1.014 129 I CA -1.765 59.563 61.300 0.046 0.000 1.093 129 I CB 1.297 39.305 38.000 0.013 0.000 1.267 129 I HN 0.100 8.337 8.210 0.044 0.000 0.431 130 L N 6.366 127.585 121.223 -0.006 0.000 2.380 130 L HA 0.074 4.370 4.340 -0.074 0.000 0.273 130 L C -0.094 176.746 176.870 -0.050 0.000 1.138 130 L CA -0.678 54.119 54.840 -0.072 0.000 0.832 130 L CB 0.107 42.064 42.059 -0.170 0.000 1.124 130 L HN 0.227 8.461 8.230 0.006 0.000 0.454 131 A N 1.313 124.104 122.820 -0.049 0.000 2.507 131 A HA -0.170 4.135 4.320 -0.026 0.000 0.235 131 A C -0.499 177.056 177.584 -0.049 0.000 1.070 131 A CA -0.075 51.940 52.037 -0.037 0.000 0.768 131 A CB 0.733 19.714 19.000 -0.031 0.000 1.011 131 A HN 0.293 8.411 8.150 -0.053 0.000 0.502 132 N N 1.030 119.706 118.700 -0.039 0.000 2.353 132 N HA -0.423 4.284 4.740 -0.055 0.000 0.248 132 N C 0.253 175.733 175.510 -0.049 0.000 1.240 132 N CA 1.473 54.494 53.050 -0.048 0.000 0.862 132 N CB 0.456 38.917 38.487 -0.045 0.000 1.086 132 N HN 0.431 8.792 8.380 -0.031 0.000 0.453 133 N N 1.180 119.845 118.700 -0.058 0.000 2.776 133 N HA -0.398 4.401 4.740 -0.061 -0.096 0.250 133 N C -1.257 174.216 175.510 -0.063 0.000 1.112 133 N CA 1.474 54.494 53.050 -0.050 0.000 0.733 133 N CB -1.018 37.459 38.487 -0.016 0.000 1.097 133 N HN 0.258 8.503 8.380 -0.066 0.095 0.558 134 S N -0.982 114.660 115.700 -0.097 0.000 2.576 134 S HA 0.135 4.563 4.470 -0.071 0.000 0.276 134 S C -1.851 172.657 174.600 -0.153 0.000 1.339 134 S CA -0.345 57.790 58.200 -0.109 0.000 1.039 134 S CB 0.681 63.794 63.200 -0.145 0.000 0.902 134 S HN -0.445 7.770 8.310 -0.104 0.032 0.516 135 P HA 0.101 4.368 4.420 -0.255 0.000 0.282 135 P C -1.936 175.294 177.300 -0.116 0.000 1.274 135 P CA -0.204 62.853 63.100 -0.072 0.000 0.770 135 P CB 0.346 32.166 31.700 0.200 0.000 0.867 136 c N 0.950 119.334 118.600 -0.359 0.000 2.994 136 c HA 0.768 5.563 4.570 0.081 -0.176 0.305 136 c C -1.042 172.833 174.090 -0.358 0.000 1.251 136 c CA -0.976 55.239 56.329 -0.191 0.000 1.478 136 c CB 4.451 46.789 42.510 -0.287 0.000 1.922 136 c HN 0.208 8.004 8.230 -0.722 0.000 0.472 137 Y N -1.161 119.118 120.300 -0.035 0.000 2.376 137 Y HA 0.683 5.395 4.550 -0.077 -0.209 0.340 137 Y C -0.628 175.135 175.900 -0.227 0.000 0.965 137 Y CA -1.690 56.331 58.100 -0.132 0.000 1.078 137 Y CB 3.435 41.737 38.460 -0.263 0.000 1.193 137 Y HN 0.713 9.127 8.280 0.224 0.000 0.452 138 I N 3.540 124.086 120.570 -0.039 0.000 2.519 138 I HA 0.343 4.463 4.170 -0.083 0.000 0.287 138 I C -1.408 174.644 176.117 -0.109 0.000 1.047 138 I CA -0.932 60.346 61.300 -0.036 0.000 1.381 138 I CB 2.085 40.149 38.000 0.107 0.000 1.417 138 I HN 0.209 8.404 8.210 -0.026 0.000 0.540 139 T N 3.560 118.013 114.554 -0.168 0.000 2.907 139 T HA 1.015 5.412 4.350 -0.250 -0.197 0.292 139 T C -0.927 173.665 174.700 -0.180 0.000 1.043 139 T CA -2.551 59.396 62.100 -0.255 0.000 1.003 139 T CB 3.233 71.834 68.868 -0.445 0.000 1.084 139 T HN -0.345 7.813 8.240 -0.136 0.000 0.483 140 G N 0.749 109.373 108.800 -0.293 0.000 2.320 140 G HA2 0.140 3.906 3.960 -0.323 0.000 0.297 140 G HA3 0.140 4.230 3.960 -0.051 -0.161 0.297 140 G C -2.023 172.658 174.900 -0.365 0.000 1.344 140 G CA 0.420 45.366 45.100 -0.256 0.000 0.851 140 G HN 0.003 8.081 8.290 -0.354 0.000 0.567 141 W N 0.465 121.710 121.300 -0.091 0.000 3.239 141 W HA 0.306 4.877 4.660 -0.149 0.000 0.368 141 W C 0.079 176.531 176.519 -0.113 0.000 1.154 141 W CA -0.713 56.509 57.345 -0.206 0.000 1.860 141 W CB 0.909 30.052 29.460 -0.529 0.000 1.094 141 W HN 0.554 8.886 8.180 0.253 0.000 0.643 142 G N -0.735 108.171 108.800 0.176 0.000 2.716 142 G HA2 -0.042 4.151 3.960 0.225 0.000 0.251 142 G HA3 -0.042 4.272 3.960 0.167 -0.254 0.251 142 G C -0.718 174.253 174.900 0.119 0.000 1.224 142 G CA -0.720 44.485 45.100 0.176 0.000 0.891 142 G HN -0.170 8.444 8.290 0.156 -0.230 0.561 143 L N -0.824 120.469 121.223 0.116 0.000 2.573 143 L HA -0.348 4.160 4.340 0.089 -0.114 0.290 143 L C 1.102 178.014 176.870 0.070 0.000 1.247 143 L CA 1.056 55.949 54.840 0.089 0.000 0.876 143 L CB 0.040 42.149 42.059 0.083 0.000 1.123 143 L HN -0.065 8.140 8.230 0.130 0.103 0.505 144 T N -4.983 109.607 114.554 0.060 0.000 3.081 144 T HA 0.025 4.639 4.350 0.047 -0.235 0.250 144 T C -0.044 174.683 174.700 0.045 0.000 1.100 144 T CA 0.218 62.347 62.100 0.049 0.000 1.038 144 T CB 1.334 70.228 68.868 0.044 0.000 0.962 144 T HN 0.096 8.373 8.240 0.061 0.000 0.516 148 N N 0.186 118.912 118.700 0.043 0.000 2.714 148 N HA -0.285 4.481 4.740 0.044 0.000 0.250 148 N C -0.896 174.639 175.510 0.042 0.000 1.117 148 N CA 1.133 54.207 53.050 0.041 0.000 0.719 148 N CB -0.697 37.810 38.487 0.033 0.000 1.081 148 N HN 0.484 8.892 8.380 0.047 0.000 0.557 149 G N -0.599 108.230 108.800 0.047 0.000 2.849 149 G HA2 0.246 4.232 3.960 0.042 0.000 0.174 149 G HA3 0.246 4.288 3.960 0.047 -0.053 0.174 149 G C -2.163 172.770 174.900 0.056 0.000 1.370 149 G CA 0.115 45.243 45.100 0.047 0.000 1.040 149 G HN -0.345 7.933 8.290 0.050 0.043 0.582 150 Q N -2.267 117.568 119.800 0.058 0.000 2.433 150 Q HA 0.231 4.614 4.340 0.071 0.000 0.279 150 Q C -0.919 175.126 176.000 0.075 0.000 1.105 150 Q CA -1.645 54.197 55.803 0.065 0.000 0.815 150 Q CB 2.443 31.214 28.738 0.055 0.000 1.403 150 Q HN 0.239 8.542 8.270 0.054 0.000 0.435 151 L N 0.056 121.332 121.223 0.088 0.000 2.499 151 L HA -0.173 4.321 4.340 0.113 -0.086 0.281 151 L C 0.515 177.437 176.870 0.086 0.000 1.234 151 L CA 0.700 55.599 54.840 0.099 0.000 0.839 151 L CB 0.101 42.219 42.059 0.097 0.000 1.104 151 L HN 0.307 8.591 8.230 0.089 0.000 0.500 152 A N 2.085 124.967 122.820 0.103 0.000 2.386 152 A HA -0.041 4.325 4.320 0.076 0.000 0.248 152 A C -0.353 177.321 177.584 0.150 0.000 1.082 152 A CA 0.317 52.417 52.037 0.104 0.000 0.789 152 A CB 0.797 19.841 19.000 0.074 0.000 1.025 152 A HN -0.235 7.982 8.150 0.112 0.000 0.490 153 Q N 0.001 119.866 119.800 0.109 0.000 2.061 153 Q HA -0.108 4.277 4.340 0.076 0.000 0.195 153 Q C 0.344 176.447 176.000 0.171 0.000 0.967 153 Q CA 2.708 58.572 55.803 0.101 0.000 0.829 153 Q CB 0.586 29.357 28.738 0.055 0.000 0.900 153 Q HN 0.422 8.740 8.270 0.081 0.000 0.450 154 T N -4.915 109.684 114.554 0.076 0.000 2.907 154 T HA 0.361 4.811 4.350 -0.141 -0.185 0.284 154 T C 0.037 174.584 174.700 -0.256 0.000 1.004 154 T CA -2.355 59.675 62.100 -0.116 0.000 1.063 154 T CB 1.520 70.304 68.868 -0.140 0.000 0.992 154 T HN -0.686 7.586 8.240 0.054 0.000 0.483 155 L N 3.633 124.501 121.223 -0.591 0.000 2.540 155 L HA -0.186 3.244 4.340 -1.516 0.000 0.276 155 L C -1.218 175.406 176.870 -0.410 0.000 1.212 155 L CA 1.249 55.555 54.840 -0.890 0.000 0.893 155 L CB 0.576 42.188 42.059 -0.746 0.000 1.138 155 L HN -0.128 7.653 8.230 -0.748 0.000 0.491 156 Q N 5.171 124.741 119.800 -0.383 0.000 2.248 156 Q HA 0.683 5.153 4.340 -0.085 -0.181 0.263 156 Q C -0.629 175.294 176.000 -0.128 0.000 1.007 156 Q CA -2.036 53.673 55.803 -0.157 0.000 0.877 156 Q CB 2.846 31.523 28.738 -0.102 0.000 1.315 156 Q HN 0.022 7.970 8.270 -0.535 0.000 0.454 157 Q N -1.743 118.051 119.800 -0.010 0.000 2.397 157 Q HA 1.016 5.535 4.340 -0.053 -0.211 0.275 157 Q C -2.098 174.003 176.000 0.168 0.000 1.090 157 Q CA -2.327 53.500 55.803 0.039 0.000 0.809 157 Q CB 4.755 33.545 28.738 0.086 0.000 1.362 157 Q HN 0.597 8.883 8.270 0.028 0.000 0.431 158 A N 0.468 123.424 122.820 0.228 0.000 2.455 158 A HA 0.453 4.939 4.320 0.278 0.000 0.300 158 A C -3.001 174.675 177.584 0.153 0.000 1.040 158 A CA -0.763 51.409 52.037 0.225 0.000 0.697 158 A CB 3.796 22.866 19.000 0.116 0.000 1.265 158 A HN 0.326 8.588 8.150 0.185 0.000 0.407 159 Y N 3.790 124.018 120.300 -0.120 0.000 2.480 159 Y HA 0.180 4.363 4.550 -0.916 -0.183 0.341 159 Y C -0.963 174.806 175.900 -0.218 0.000 1.031 159 Y CA -0.033 57.774 58.100 -0.489 0.000 1.295 159 Y CB -0.002 38.207 38.460 -0.418 0.000 1.162 159 Y HN 0.363 8.790 8.280 0.246 0.000 0.523 160 L N 9.029 129.910 121.223 -0.571 0.000 2.401 160 L HA 0.462 4.658 4.340 -0.240 0.000 0.263 160 L C -2.193 174.369 176.870 -0.515 0.000 1.004 160 L CA -3.140 51.486 54.840 -0.357 0.000 0.881 160 L CB 0.704 42.676 42.059 -0.145 0.000 1.219 160 L HN 0.114 7.923 8.230 -0.702 0.000 0.441 161 P HA 0.291 4.622 4.420 -0.496 -0.208 0.271 161 P C 0.167 177.342 177.300 -0.209 0.000 1.218 161 P CA -1.106 61.762 63.100 -0.387 0.000 0.780 161 P CB 0.730 32.303 31.700 -0.213 0.000 0.901 162 T N -1.526 112.915 114.554 -0.188 0.000 2.900 162 T HA 0.075 4.497 4.350 -0.118 -0.142 0.307 162 T C 0.006 174.661 174.700 -0.075 0.000 1.065 162 T CA -0.407 61.617 62.100 -0.126 0.000 1.105 162 T CB 0.961 69.750 68.868 -0.132 0.000 0.979 162 T HN 0.023 8.137 8.240 -0.210 0.000 0.544 163 V N 3.416 123.301 119.914 -0.047 0.000 2.350 163 V HA 0.587 4.823 4.120 -0.093 -0.172 0.285 163 V C -0.443 175.610 176.094 -0.068 0.000 1.014 163 V CA -1.982 60.275 62.300 -0.073 0.000 0.831 163 V CB 1.084 32.870 31.823 -0.062 0.000 1.000 163 V HN 0.049 8.221 8.190 -0.030 0.000 0.433 164 D N 7.293 127.647 120.400 -0.078 0.000 2.363 164 D HA -0.084 4.558 4.640 0.004 0.000 0.240 164 D C 0.211 176.507 176.300 -0.007 0.000 1.236 164 D CA -0.947 53.039 54.000 -0.023 0.000 0.927 164 D CB 1.292 42.082 40.800 -0.018 0.000 1.150 164 D HN 0.103 8.734 8.370 -0.096 -0.319 0.458 165 Y N 1.737 122.008 120.300 -0.048 0.000 2.181 165 Y HA -0.543 3.992 4.550 -0.024 0.000 0.288 165 Y C 1.189 177.068 175.900 -0.035 0.000 1.146 165 Y CA 4.189 62.270 58.100 -0.032 0.000 1.164 165 Y CB -0.004 38.444 38.460 -0.020 0.000 0.982 165 Y HN 0.326 8.713 8.280 0.179 0.000 0.515 166 A N -0.881 121.892 122.820 -0.079 0.000 1.908 166 A HA -0.288 3.898 4.320 -0.223 0.000 0.218 166 A C 2.309 179.754 177.584 -0.231 0.000 1.181 166 A CA 2.792 54.730 52.037 -0.164 0.000 0.627 166 A CB -0.752 18.221 19.000 -0.044 0.000 0.818 166 A HN 0.062 8.290 8.150 0.074 -0.034 0.445 167 I N -3.177 117.251 120.570 -0.238 0.000 2.333 167 I HA -0.396 3.599 4.170 -0.292 0.000 0.246 167 I C 1.846 177.685 176.117 -0.463 0.000 1.106 167 I CA 3.587 64.668 61.300 -0.366 0.000 1.411 167 I CB 0.108 37.840 38.000 -0.448 0.000 1.082 167 I HN -0.308 8.117 8.210 -0.194 -0.331 0.420 168 c N -0.362 118.033 118.600 -0.342 0.000 2.422 168 c HA -0.324 4.161 4.570 -0.141 0.000 0.279 168 c C 0.318 174.398 174.090 -0.017 0.000 1.305 168 c CA 2.024 58.270 56.329 -0.137 0.000 1.757 168 c CB -0.823 41.680 42.510 -0.011 0.000 1.962 168 c HN 0.333 8.390 8.230 -0.288 0.000 0.499 169 S N 0.568 116.114 115.700 -0.256 0.000 3.983 169 S HA 0.260 4.865 4.470 -0.051 -0.166 0.194 169 S C 0.540 175.075 174.600 -0.109 0.000 1.464 169 S CA 0.230 58.291 58.200 -0.232 0.000 1.021 169 S CB -1.442 61.366 63.200 -0.654 0.000 1.424 169 S HN -0.147 7.895 8.310 -0.415 0.018 0.473 170 S N 1.240 116.979 115.700 0.066 0.000 2.435 170 S HA -0.496 3.927 4.470 -0.079 0.000 0.322 170 S C 0.282 174.789 174.600 -0.155 0.000 1.387 170 S CA 2.973 61.158 58.200 -0.025 0.000 1.240 170 S CB -0.593 62.607 63.200 0.001 0.000 1.266 170 S HN 0.209 8.582 8.310 0.106 0.000 0.730 171 Y N -1.385 118.870 120.300 -0.076 0.000 2.812 171 Y HA 0.337 4.974 4.550 -0.185 -0.198 0.212 171 Y C 1.870 177.689 175.900 -0.134 0.000 0.996 171 Y CA -0.619 57.415 58.100 -0.111 0.000 1.504 171 Y CB 1.010 39.464 38.460 -0.010 0.000 1.086 171 Y HN -0.619 7.828 8.280 0.278 0.000 0.537 172 W N -2.666 118.739 121.300 0.175 0.000 3.278 172 W HA -0.063 4.655 4.660 0.097 0.000 0.308 172 W C -0.059 176.502 176.519 0.070 0.000 1.253 172 W CA 0.653 58.060 57.345 0.105 0.000 1.759 172 W CB 1.540 31.067 29.460 0.111 0.000 1.093 172 W HN 0.173 8.649 8.180 0.494 0.000 0.648 173 G N -1.241 107.702 108.800 0.238 0.000 2.582 173 G HA2 -0.535 3.632 3.960 0.091 0.000 0.288 173 G HA3 -0.535 3.506 3.960 0.135 0.000 0.288 173 G C 0.644 175.626 174.900 0.138 0.000 1.247 173 G CA 1.137 46.323 45.100 0.143 0.000 0.972 173 G HN -0.553 7.867 8.290 0.216 0.000 0.557 174 S N 2.525 118.296 115.700 0.118 0.000 2.603 174 S HA -0.205 4.326 4.470 0.102 0.000 0.229 174 S C 1.051 175.727 174.600 0.127 0.000 0.972 174 S CA 2.072 60.337 58.200 0.108 0.000 0.935 174 S CB -0.781 62.466 63.200 0.079 0.000 0.769 174 S HN 0.235 8.610 8.310 0.108 0.000 0.536 175 T N 3.984 118.646 114.554 0.180 0.000 2.788 175 T HA -0.299 4.114 4.350 0.105 0.000 0.268 175 T C 0.215 174.993 174.700 0.131 0.000 1.044 175 T CA 3.551 65.750 62.100 0.166 0.000 1.139 175 T CB 0.234 69.295 68.868 0.321 0.000 0.867 175 T HN -0.801 7.513 8.240 0.222 0.059 0.454 176 V N 1.524 121.526 119.914 0.147 0.000 2.546 176 V HA -0.151 4.019 4.120 0.082 0.000 0.284 176 V C -1.362 174.868 176.094 0.226 0.000 1.050 176 V CA 0.109 62.479 62.300 0.116 0.000 0.981 176 V CB 0.991 32.850 31.823 0.060 0.000 0.990 176 V HN -0.876 7.410 8.190 0.189 0.017 0.474 177 K N 5.639 126.155 120.400 0.193 0.000 2.238 177 K HA 0.219 4.680 4.320 0.236 0.000 0.239 177 K C -0.066 176.576 176.600 0.070 0.000 0.987 177 K CA -1.411 54.971 56.287 0.159 0.000 0.857 177 K CB 1.733 34.244 32.500 0.019 0.000 1.154 177 K HN -0.536 7.793 8.250 0.131 0.000 0.439 178 N N 1.034 119.587 118.700 -0.246 0.000 2.512 178 N HA -0.244 4.215 4.740 -0.468 0.000 0.183 178 N C 0.557 175.951 175.510 -0.192 0.000 1.073 178 N CA 2.190 54.983 53.050 -0.429 0.000 0.911 178 N CB -0.118 37.983 38.487 -0.643 0.000 0.964 178 N HN 0.523 8.748 8.380 -0.258 0.000 0.447 179 S N -4.074 111.542 115.700 -0.141 0.000 2.631 179 S HA -0.040 4.357 4.470 -0.121 0.000 0.217 179 S C -0.715 173.890 174.600 0.008 0.000 0.958 179 S CA 0.738 58.874 58.200 -0.105 0.000 0.920 179 S CB -0.670 62.414 63.200 -0.193 0.000 0.776 179 S HN -0.128 8.049 8.310 -0.143 0.048 0.517 180 M N 0.378 119.990 119.600 0.020 0.000 2.664 180 M HA 0.637 5.297 4.480 0.072 -0.137 0.314 180 M C -0.926 175.417 176.300 0.071 0.000 1.200 180 M CA -0.273 55.059 55.300 0.054 0.000 0.916 180 M CB 4.659 37.277 32.600 0.030 0.000 1.717 180 M HN -0.631 7.568 8.290 0.005 0.095 0.470 181 V N 0.140 120.113 119.914 0.099 0.000 2.459 181 V HA 0.294 4.457 4.120 0.072 0.000 0.295 181 V C -1.912 174.274 176.094 0.152 0.000 1.029 181 V CA -2.179 60.178 62.300 0.095 0.000 0.874 181 V CB 2.679 34.526 31.823 0.039 0.000 0.985 181 V HN 0.440 8.706 8.190 0.127 0.000 0.438 182 c N 6.194 124.854 118.600 0.099 0.000 2.341 182 c HA 0.747 5.572 4.570 0.150 -0.165 0.338 182 c C -0.972 173.191 174.090 0.123 0.000 1.257 182 c CA -1.279 55.127 56.329 0.129 0.000 1.883 182 c CB 0.799 43.373 42.510 0.107 0.000 2.334 182 c HN 0.722 8.995 8.230 0.071 0.000 0.524 183 A N 3.157 126.106 122.820 0.216 0.000 2.488 183 A HA 0.743 5.205 4.320 0.013 -0.134 0.298 183 A C -1.602 176.063 177.584 0.134 0.000 1.044 183 A CA -1.363 50.725 52.037 0.086 0.000 0.693 183 A CB 3.108 22.050 19.000 -0.098 0.000 1.272 183 A HN 0.347 8.693 8.150 0.328 0.000 0.402 184 G N 2.339 111.166 108.800 0.046 0.000 2.578 184 G HA2 -0.287 3.679 3.960 0.010 0.000 0.232 184 G HA3 -0.287 3.717 3.960 0.074 0.000 0.232 184 G C -0.238 174.721 174.900 0.098 0.000 1.176 184 G CA -0.082 45.051 45.100 0.055 0.000 0.968 184 G HN 0.607 8.896 8.290 -0.002 0.000 0.583 185 G N 0.326 109.186 108.800 0.099 0.000 2.147 185 G HA2 -0.384 3.612 3.960 0.059 0.000 0.244 185 G HA3 -0.384 3.646 3.960 0.116 0.000 0.244 185 G C 0.276 175.200 174.900 0.039 0.000 1.005 185 G CA 0.525 45.673 45.100 0.080 0.000 0.713 185 G HN 0.434 8.780 8.290 0.093 0.000 0.515 186 D N -1.545 118.879 120.400 0.041 0.000 2.363 186 D HA -0.119 4.536 4.640 0.025 0.000 0.220 186 D C 0.786 177.092 176.300 0.010 0.000 0.994 186 D CA -0.494 53.523 54.000 0.029 0.000 0.890 186 D CB -0.448 40.378 40.800 0.043 0.000 0.906 186 D HN 0.053 8.452 8.370 0.048 0.000 0.530 187 G N -0.756 108.047 108.800 0.004 0.000 2.132 187 G HA2 -0.381 3.572 3.960 -0.013 0.000 0.228 187 G HA3 -0.381 3.571 3.960 -0.013 0.000 0.228 187 G C 0.239 175.145 174.900 0.010 0.000 1.000 187 G CA -0.023 45.074 45.100 -0.005 0.000 0.693 187 G HN -0.283 7.946 8.290 0.009 0.066 0.515 188 R N -0.091 120.437 120.500 0.047 0.000 2.466 188 R HA -0.344 4.282 4.340 0.056 -0.253 0.272 188 R C -0.178 176.156 176.300 0.056 0.000 0.924 188 R CA 1.601 57.735 56.100 0.056 0.000 1.107 188 R CB 0.293 30.633 30.300 0.067 0.000 0.853 188 R HN -0.113 8.545 8.270 0.046 -0.361 0.430 189 S N 0.111 115.847 115.700 0.059 0.000 2.627 189 S HA 0.188 4.703 4.470 0.076 0.000 0.268 189 S C -0.995 173.641 174.600 0.059 0.000 1.130 189 S CA -0.649 57.589 58.200 0.063 0.000 0.819 189 S CB 2.996 66.228 63.200 0.053 0.000 1.100 189 S HN -0.184 8.161 8.310 0.058 0.000 0.465 190 G N -1.224 107.604 108.800 0.046 0.000 2.634 190 G HA2 0.200 4.329 3.960 0.047 0.000 0.255 190 G HA3 0.200 4.154 3.960 -0.010 0.000 0.255 190 G C -1.723 173.198 174.900 0.034 0.000 1.205 190 G CA -0.464 44.653 45.100 0.027 0.000 0.884 190 G HN -0.378 7.937 8.290 0.041 0.000 0.549 191 c N -0.465 118.167 118.600 0.053 0.000 3.320 191 c HA 0.180 4.788 4.570 0.062 0.000 0.335 191 c C -1.667 172.481 174.090 0.096 0.000 1.430 191 c CA -0.517 55.853 56.329 0.068 0.000 1.271 191 c CB 3.425 45.975 42.510 0.067 0.000 1.609 191 c HN 0.002 8.537 8.230 0.060 -0.269 0.457 192 Q N 1.757 121.620 119.800 0.104 0.000 2.263 192 Q HA -0.154 4.267 4.340 0.134 0.000 0.289 192 Q C 1.142 177.247 176.000 0.175 0.000 1.061 192 Q CA 2.336 58.217 55.803 0.130 0.000 0.927 192 Q CB -0.068 28.740 28.738 0.117 0.000 1.154 192 Q HN 0.722 9.048 8.270 0.093 0.000 0.378 193 G N 4.896 113.824 108.800 0.213 0.000 2.218 193 G HA2 -0.404 3.958 3.960 0.299 0.000 0.216 193 G HA3 -0.404 3.781 3.960 0.375 0.000 0.216 193 G C 0.644 175.769 174.900 0.375 0.000 0.994 193 G CA 0.837 46.131 45.100 0.324 0.000 0.637 193 G HN 0.680 9.086 8.290 0.193 0.000 0.505 194 D N 1.530 122.068 120.400 0.230 0.000 2.289 194 D HA 0.021 4.794 4.640 0.223 0.000 0.207 194 D C 0.152 176.534 176.300 0.136 0.000 0.966 194 D CA 1.751 55.859 54.000 0.180 0.000 0.868 194 D CB 0.335 41.198 40.800 0.105 0.000 0.943 194 D HN 0.050 8.465 8.370 0.188 0.068 0.514 195 S N -0.978 114.797 115.700 0.125 0.000 2.643 195 S HA -0.414 4.243 4.470 0.075 -0.141 0.310 195 S C 1.272 175.872 174.600 0.001 0.000 1.253 195 S CA 2.499 60.749 58.200 0.084 0.000 1.047 195 S CB -0.355 62.952 63.200 0.179 0.000 0.767 195 S HN -0.115 8.285 8.310 0.149 0.000 0.498 196 G N 4.918 113.685 108.800 -0.055 0.000 2.253 196 G HA2 -0.445 3.516 3.960 -0.110 0.000 0.251 196 G HA3 -0.445 3.566 3.960 -0.091 -0.106 0.251 196 G C -0.176 174.732 174.900 0.013 0.000 0.998 196 G CA 0.441 45.500 45.100 -0.069 0.000 0.621 196 G HN 0.671 8.824 8.290 -0.047 0.109 0.524 197 G N 0.939 109.774 108.800 0.059 0.000 2.621 197 G HA2 0.376 4.448 3.960 0.072 0.000 0.271 197 G HA3 0.376 4.385 3.960 0.081 0.000 0.271 197 G C -2.644 172.268 174.900 0.020 0.000 1.236 197 G CA -1.992 43.147 45.100 0.064 0.000 0.958 197 G HN -0.359 7.882 8.290 0.068 0.090 0.512 198 P HA 0.345 4.821 4.420 -0.183 -0.166 0.281 198 P C -1.942 175.143 177.300 -0.358 0.000 1.249 198 P CA -1.136 61.792 63.100 -0.286 0.000 0.810 198 P CB 1.733 33.072 31.700 -0.601 0.000 1.008 199 L N 1.966 122.963 121.223 -0.375 0.000 2.294 199 L HA 0.364 4.597 4.340 -0.420 -0.145 0.283 199 L C -1.833 174.828 176.870 -0.349 0.000 1.015 199 L CA -1.514 53.046 54.840 -0.467 0.000 0.831 199 L CB 2.052 43.605 42.059 -0.844 0.000 1.217 199 L HN -0.203 7.859 8.230 -0.280 0.000 0.420 200 H N 6.450 125.447 119.070 -0.122 0.000 2.519 200 H HA 0.451 5.293 4.556 0.173 -0.182 0.316 200 H C -0.943 174.544 175.328 0.266 0.000 1.065 200 H CA -1.303 54.806 56.048 0.101 0.000 1.264 200 H CB 0.792 30.554 29.762 0.000 0.000 1.413 200 H HN 0.413 8.587 8.280 -0.177 0.000 0.465 201 c N 3.290 122.130 118.600 0.399 0.000 2.455 201 c HA 0.534 5.368 4.570 0.201 -0.144 0.320 201 c C -1.322 172.817 174.090 0.081 0.000 1.226 201 c CA -0.729 55.692 56.329 0.153 0.000 1.569 201 c CB 2.328 44.685 42.510 -0.255 0.000 2.200 201 c HN 0.888 9.379 8.230 0.434 0.000 0.491 202 L N 4.799 125.931 121.223 -0.152 0.000 2.260 202 L HA 0.341 4.490 4.340 -0.576 -0.155 0.289 202 L C -1.299 175.451 176.870 -0.200 0.000 1.057 202 L CA -0.458 54.116 54.840 -0.444 0.000 0.811 202 L CB 0.665 42.340 42.059 -0.641 0.000 1.184 202 L HN -0.114 8.080 8.230 -0.059 0.000 0.429 203 V N 7.898 127.738 119.914 -0.124 0.000 2.623 203 V HA 0.158 4.235 4.120 -0.071 0.000 0.304 203 V C -0.660 175.413 176.094 -0.035 0.000 1.054 203 V CA -1.049 61.217 62.300 -0.058 0.000 0.882 203 V CB 2.715 34.534 31.823 -0.006 0.000 1.002 203 V HN 0.406 8.526 8.190 -0.118 0.000 0.424 204 N N 7.832 126.512 118.700 -0.033 0.000 2.727 204 N HA -0.320 4.408 4.740 -0.020 0.000 0.249 204 N C 0.186 175.681 175.510 -0.025 0.000 1.048 204 N CA 0.715 53.754 53.050 -0.020 0.000 0.714 204 N CB -0.936 37.549 38.487 -0.002 0.000 0.959 204 N HN 0.865 9.223 8.380 -0.037 0.000 0.544 205 G N -5.595 103.174 108.800 -0.051 0.000 2.179 205 G HA2 -0.439 3.481 3.960 -0.066 0.000 0.260 205 G HA3 -0.439 3.502 3.960 -0.031 0.000 0.260 205 G C -1.399 173.466 174.900 -0.058 0.000 0.977 205 G CA 0.004 45.072 45.100 -0.053 0.000 0.641 205 G HN 0.096 8.319 8.290 -0.066 0.026 0.533 206 Q N -0.046 119.721 119.800 -0.054 0.000 2.353 206 Q HA 0.292 4.653 4.340 0.034 0.000 0.268 206 Q C -1.339 174.658 176.000 -0.005 0.000 1.045 206 Q CA -1.628 54.179 55.803 0.006 0.000 0.811 206 Q CB 2.898 31.666 28.738 0.049 0.000 1.305 206 Q HN -0.655 7.511 8.270 -0.054 0.071 0.447 207 Y N 5.425 125.810 120.300 0.142 0.000 2.359 207 Y HA 0.225 5.130 4.550 0.231 -0.216 0.330 207 Y C -0.461 175.575 175.900 0.226 0.000 1.143 207 Y CA 1.083 59.318 58.100 0.224 0.000 1.318 207 Y CB 0.732 39.374 38.460 0.304 0.000 1.234 207 Y HN 0.468 8.910 8.280 0.270 0.000 0.522 208 A N 1.244 124.317 122.820 0.421 0.000 2.469 208 A HA 0.459 5.032 4.320 0.273 -0.090 0.299 208 A C -2.271 175.516 177.584 0.338 0.000 1.098 208 A CA -1.860 50.365 52.037 0.313 0.000 0.737 208 A CB 4.165 23.274 19.000 0.182 0.000 1.312 208 A HN 0.423 8.841 8.150 0.447 0.000 0.414 209 V N 1.390 121.402 119.914 0.163 0.000 2.338 209 V HA 0.123 4.449 4.120 0.037 -0.183 0.255 209 V C 0.402 176.490 176.094 -0.009 0.000 1.082 209 V CA -0.109 62.222 62.300 0.052 0.000 0.951 209 V CB -1.663 30.159 31.823 -0.002 0.000 1.102 209 V HN 0.368 8.632 8.190 0.125 0.000 0.489 210 H N 6.975 126.012 119.070 -0.054 0.000 2.544 210 H HA 0.072 4.619 4.556 -0.015 0.000 0.269 210 H C -0.164 175.119 175.328 -0.076 0.000 0.970 210 H CA 2.073 58.088 56.048 -0.056 0.000 1.219 210 H CB 1.511 31.228 29.762 -0.074 0.000 1.421 210 H HN 0.083 8.492 8.280 0.214 0.000 0.555 211 G N -4.124 104.655 108.800 -0.034 0.000 2.563 211 G HA2 0.586 4.804 3.960 0.066 0.000 0.302 211 G HA3 0.586 4.471 3.960 -0.124 0.000 0.302 211 G C -2.959 171.983 174.900 0.071 0.000 1.301 211 G CA -0.568 44.529 45.100 -0.006 0.000 0.965 211 G HN -0.766 7.479 8.290 -0.074 0.000 0.480 212 V N 2.650 122.661 119.914 0.161 0.000 2.357 212 V HA 0.450 4.820 4.120 0.099 -0.191 0.284 212 V C -0.135 176.069 176.094 0.183 0.000 1.018 212 V CA -1.962 60.410 62.300 0.121 0.000 0.841 212 V CB 1.964 33.793 31.823 0.010 0.000 0.991 212 V HN 0.142 8.434 8.190 0.169 0.000 0.437 213 T N 10.171 124.834 114.554 0.182 0.000 2.908 213 T HA -0.191 3.916 4.350 -0.405 0.000 0.301 213 T C -0.851 173.789 174.700 -0.100 0.000 1.019 213 T CA 3.133 65.181 62.100 -0.086 0.000 1.152 213 T CB 0.288 69.138 68.868 -0.030 0.000 0.966 213 T HN 0.381 8.726 8.240 0.176 0.000 0.540 214 S N 7.169 122.744 115.700 -0.208 0.000 3.066 214 S HA 0.189 4.814 4.470 0.259 0.000 0.235 214 S C -1.032 173.661 174.600 0.155 0.000 0.995 214 S CA 0.532 58.785 58.200 0.088 0.000 0.835 214 S CB 2.409 65.693 63.200 0.140 0.000 0.814 214 S HN 0.281 8.293 8.310 -0.497 0.000 0.594 215 F N -3.877 115.950 119.950 -0.206 0.000 2.711 215 F HA 0.384 4.840 4.527 -0.120 0.000 0.313 215 F C -2.509 173.216 175.800 -0.126 0.000 1.141 215 F CA -1.066 56.839 58.000 -0.159 0.000 0.941 215 F CB 1.092 39.992 39.000 -0.167 0.000 1.349 215 F HN -0.476 7.537 8.300 -0.479 0.000 0.464 216 V N -3.039 117.008 119.914 0.221 0.000 6.943 216 V HA 0.486 4.766 4.120 0.267 0.000 0.278 216 V C -0.388 176.039 176.094 0.555 0.000 1.688 216 V CA -1.630 60.840 62.300 0.283 0.000 0.601 216 V CB 1.788 33.701 31.823 0.151 0.000 1.621 216 V HN 0.001 8.379 8.190 0.314 0.000 0.359 217 R N -0.842 119.745 120.500 0.145 0.000 2.308 217 R HA 0.142 4.535 4.340 0.088 0.000 0.202 217 R C 2.730 179.051 176.300 0.035 0.000 0.898 217 R CA 0.423 56.571 56.100 0.080 0.000 1.046 217 R CB 0.206 30.543 30.300 0.061 0.000 1.026 217 R HN 0.150 8.517 8.270 0.163 0.000 0.512 218 L N -0.446 120.782 121.223 0.008 0.000 2.529 218 L HA 0.068 4.404 4.340 -0.008 0.000 0.223 218 L C -0.000 176.870 176.870 0.001 0.000 1.113 218 L CA -0.554 54.279 54.840 -0.012 0.000 0.861 218 L CB 0.309 42.338 42.059 -0.050 0.000 1.012 218 L HN -0.115 8.116 8.230 0.001 0.000 0.461 219 G N -3.699 105.114 108.800 0.022 0.000 2.352 219 G HA2 -0.012 3.969 3.960 0.035 0.000 0.302 219 G HA3 -0.012 3.958 3.960 0.017 0.000 0.302 219 G C -2.038 172.890 174.900 0.047 0.000 1.370 219 G CA -0.664 44.454 45.100 0.029 0.000 0.918 219 G HN -0.920 7.391 8.290 0.036 0.000 0.610 220 c N 1.375 120.003 118.600 0.048 0.000 2.511 220 c HA -0.128 4.484 4.570 0.070 0.000 0.300 220 c C -1.323 172.795 174.090 0.047 0.000 1.393 220 c CA 0.603 56.965 56.329 0.056 0.000 1.637 220 c CB -2.408 40.134 42.510 0.052 0.000 1.637 220 c HN -0.162 8.093 8.230 0.042 0.000 0.595 221 V N -3.290 116.616 119.914 -0.014 0.000 2.402 221 V HA -0.074 4.014 4.120 -0.053 0.000 0.262 221 V C -2.312 173.731 176.094 -0.086 0.000 1.828 221 V CA -0.361 61.904 62.300 -0.059 0.000 0.730 221 V CB 0.792 32.562 31.823 -0.087 0.000 1.288 221 V HN -0.670 7.519 8.190 -0.001 0.000 0.484 222 T N 8.417 122.912 114.554 -0.097 0.000 2.902 222 T HA 0.039 4.537 4.350 -0.085 -0.199 0.301 222 T C 0.741 175.310 174.700 -0.218 0.000 1.012 222 T CA 1.966 63.995 62.100 -0.119 0.000 1.151 222 T CB 0.344 69.149 68.868 -0.106 0.000 0.946 222 T HN 0.294 8.481 8.240 -0.087 0.000 0.542 223 R N -0.469 119.878 120.500 -0.255 0.000 3.953 223 R HA -0.485 3.555 4.340 -0.501 0.000 0.340 223 R C -1.609 174.435 176.300 -0.427 0.000 1.195 223 R CA 1.885 57.672 56.100 -0.521 0.000 0.929 223 R CB -1.452 28.323 30.300 -0.876 0.000 1.402 223 R HN 0.471 8.643 8.270 -0.164 0.000 0.540 224 K N -2.191 118.045 120.400 -0.273 0.000 2.762 224 K HA 0.540 4.447 4.320 -0.688 0.000 0.180 224 K C -2.205 174.471 176.600 0.126 0.000 1.067 224 K CA -3.323 52.743 56.287 -0.368 0.000 0.973 224 K CB 0.379 32.552 32.500 -0.546 0.000 1.290 224 K HN -0.665 7.401 8.250 -0.190 0.070 0.604 225 P HA -0.115 4.526 4.420 0.210 -0.095 0.268 225 P C -0.028 177.465 177.300 0.322 0.000 1.208 225 P CA -0.192 63.097 63.100 0.315 0.000 0.777 225 P CB 0.572 32.462 31.700 0.317 0.000 0.875 226 T N 2.914 117.553 114.554 0.141 0.000 2.940 226 T HA -0.140 4.130 4.350 -0.134 0.000 0.309 226 T C -0.805 173.701 174.700 -0.323 0.000 1.056 226 T CA 2.391 64.422 62.100 -0.115 0.000 1.137 226 T CB 0.632 69.411 68.868 -0.148 0.000 0.976 226 T HN -0.095 8.239 8.240 0.156 0.000 0.547 227 V N 4.032 123.471 119.914 -0.792 0.000 2.513 227 V HA 0.713 4.730 4.120 -0.410 -0.143 0.299 227 V C -2.614 172.947 176.094 -0.888 0.000 1.035 227 V CA -3.016 58.772 62.300 -0.853 0.000 0.889 227 V CB 2.651 33.782 31.823 -1.153 0.000 0.988 227 V HN 0.127 7.809 8.190 -0.848 0.000 0.440 228 F N 6.715 126.511 119.950 -0.256 0.000 2.563 228 F HA 0.591 5.196 4.527 -0.108 -0.143 0.316 228 F C 0.046 175.800 175.800 -0.077 0.000 1.076 228 F CA -2.186 55.737 58.000 -0.127 0.000 0.921 228 F CB 4.322 43.269 39.000 -0.090 0.000 1.209 228 F HN 0.715 9.026 8.300 0.018 0.000 0.462 229 T N 4.370 118.993 114.554 0.116 0.000 2.888 229 T HA -0.111 4.282 4.350 0.073 0.000 0.301 229 T C -0.518 174.258 174.700 0.127 0.000 1.001 229 T CA 1.721 63.864 62.100 0.071 0.000 1.147 229 T CB 0.577 69.405 68.868 -0.067 0.000 0.931 229 T HN 0.466 8.762 8.240 0.093 0.000 0.541 230 R N 7.857 128.452 120.500 0.159 0.000 2.291 230 R HA -0.007 4.551 4.340 0.120 -0.145 0.333 230 R C 1.330 177.755 176.300 0.209 0.000 1.082 230 R CA -0.142 56.046 56.100 0.146 0.000 0.948 230 R CB 0.059 30.414 30.300 0.091 0.000 1.009 230 R HN 0.207 8.482 8.270 0.166 0.095 0.460 231 V N 8.576 128.574 119.914 0.139 0.000 2.324 231 V HA -0.433 3.812 4.120 0.208 0.000 0.250 231 V C 1.359 177.537 176.094 0.141 0.000 1.060 231 V CA 3.912 66.298 62.300 0.145 0.000 1.042 231 V CB -0.446 31.400 31.823 0.040 0.000 0.650 231 V HN 0.094 8.342 8.190 0.098 0.000 0.450 232 S N -2.153 113.572 115.700 0.041 0.000 2.507 232 S HA -0.238 4.229 4.470 -0.005 0.000 0.235 232 S C 1.158 175.753 174.600 -0.009 0.000 0.988 232 S CA 2.348 60.548 58.200 -0.001 0.000 0.944 232 S CB -0.618 62.561 63.200 -0.035 0.000 0.762 232 S HN 0.263 8.569 8.310 0.024 0.018 0.526 233 A N 1.278 124.079 122.820 -0.031 0.000 2.169 233 A HA -0.050 4.148 4.320 -0.203 0.000 0.212 233 A C 0.448 177.783 177.584 -0.414 0.000 1.153 233 A CA 1.754 53.636 52.037 -0.258 0.000 0.756 233 A CB -0.037 18.715 19.000 -0.414 0.000 0.813 233 A HN -0.431 7.691 8.150 0.043 0.054 0.471 234 Y N -5.911 114.435 120.300 0.076 0.000 2.641 234 Y HA 0.199 4.882 4.550 0.221 0.000 0.248 234 Y C 0.194 176.224 175.900 0.215 0.000 1.170 234 Y CA -1.041 57.174 58.100 0.191 0.000 1.201 234 Y CB 0.921 39.507 38.460 0.211 0.000 1.232 234 Y HN -0.533 7.674 8.280 0.169 0.175 0.537 235 I N 0.255 120.937 120.570 0.187 0.000 2.163 235 I HA -0.484 3.759 4.170 0.122 0.000 0.243 235 I C 1.717 177.894 176.117 0.099 0.000 1.085 235 I CA 2.527 63.897 61.300 0.117 0.000 1.347 235 I CB -1.037 36.990 38.000 0.045 0.000 1.044 235 I HN -0.304 7.977 8.210 0.120 0.000 0.408 236 S N -1.035 114.727 115.700 0.103 0.000 2.368 236 S HA -0.326 4.159 4.470 0.025 0.000 0.225 236 S C 1.494 176.156 174.600 0.103 0.000 1.030 236 S CA 4.240 62.485 58.200 0.074 0.000 0.999 236 S CB -0.543 62.698 63.200 0.068 0.000 0.844 236 S HN 0.248 8.617 8.310 0.098 0.000 0.459 237 W N 2.226 123.563 121.300 0.061 0.000 2.333 237 W HA -0.308 4.372 4.660 0.033 0.000 0.316 237 W C 1.316 177.841 176.519 0.011 0.000 1.215 237 W CA 3.079 60.472 57.345 0.079 0.000 1.278 237 W CB 0.011 29.634 29.460 0.272 0.000 1.154 237 W HN -0.458 7.965 8.180 0.404 0.000 0.486 238 I N -1.508 119.050 120.570 -0.021 0.000 2.127 238 I HA -0.804 2.985 4.170 -0.634 0.000 0.241 238 I C 1.933 177.801 176.117 -0.416 0.000 1.075 238 I CA 4.520 65.630 61.300 -0.316 0.000 1.334 238 I CB -0.467 37.513 38.000 -0.032 0.000 1.040 238 I HN 0.081 8.479 8.210 0.313 0.000 0.405 239 N N -0.652 117.906 118.700 -0.237 0.000 2.166 239 N HA -0.313 4.270 4.740 -0.261 0.000 0.186 239 N C 2.488 177.831 175.510 -0.277 0.000 1.019 239 N CA 3.030 55.941 53.050 -0.232 0.000 0.856 239 N CB -0.709 37.703 38.487 -0.126 0.000 0.993 239 N HN -0.211 8.088 8.380 -0.135 0.000 0.426 240 N N 0.469 119.005 118.700 -0.274 0.000 2.142 240 N HA -0.223 4.401 4.740 -0.194 0.000 0.186 240 N C 1.596 176.889 175.510 -0.361 0.000 1.023 240 N CA 2.743 55.637 53.050 -0.260 0.000 0.852 240 N CB -0.321 38.046 38.487 -0.200 0.000 0.998 240 N HN -0.206 8.027 8.380 -0.245 0.000 0.424 241 V N 0.409 119.968 119.914 -0.592 0.000 2.295 241 V HA -0.411 3.434 4.120 -0.459 0.000 0.246 241 V C 2.173 177.913 176.094 -0.591 0.000 1.049 241 V CA 3.885 65.810 62.300 -0.624 0.000 1.024 241 V CB -0.563 30.697 31.823 -0.939 0.000 0.648 241 V HN -0.264 7.496 8.190 -0.717 0.000 0.447 242 I N -1.668 118.445 120.570 -0.762 0.000 2.226 242 I HA -0.524 2.936 4.170 -1.183 0.000 0.245 242 I C 2.384 178.310 176.117 -0.317 0.000 1.100 242 I CA 3.949 64.760 61.300 -0.815 0.000 1.374 242 I CB -0.565 36.916 38.000 -0.864 0.000 1.057 242 I HN -0.436 7.327 8.210 -0.745 0.000 0.413 243 A N -1.141 121.529 122.820 -0.250 0.000 2.015 243 A HA -0.180 4.083 4.320 -0.095 0.000 0.219 243 A C 1.070 178.605 177.584 -0.081 0.000 1.163 243 A CA 2.655 54.614 52.037 -0.128 0.000 0.646 243 A CB -0.471 18.456 19.000 -0.120 0.000 0.806 243 A HN -0.206 7.765 8.150 -0.299 0.000 0.448 244 S N -4.445 111.196 115.700 -0.100 0.000 2.575 244 S HA -0.024 4.425 4.470 -0.035 0.000 0.215 244 S C 0.261 174.868 174.600 0.012 0.000 0.966 244 S CA 0.348 58.518 58.200 -0.050 0.000 0.911 244 S CB 0.865 64.022 63.200 -0.071 0.000 0.780 244 S HN -0.386 7.694 8.310 -0.158 0.135 0.514 245 N N 0.000 118.742 118.700 0.069 0.000 1.763 245 N HA 0.000 4.820 4.740 0.133 0.000 0.220 245 N CA 0.000 53.169 53.050 0.199 0.000 0.885 245 N CB 0.000 38.712 38.487 0.375 0.000 1.341 245 N HN 0.000 8.232 8.380 0.035 0.169 0.667