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 2izh_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 A HA 0.000 4.349 4.320 0.049 0.000 0.244 13 A C 0.000 177.624 177.584 0.067 0.000 1.274 13 A CA 0.000 52.071 52.037 0.057 0.000 0.836 13 A CB 0.000 19.028 19.000 0.046 0.000 0.831 14 E N -1.584 118.652 120.200 0.060 0.000 1.898 14 E HA -0.335 4.053 4.350 0.062 0.000 0.181 14 E C -1.389 175.278 176.600 0.111 0.000 1.307 14 E CA 0.431 56.877 56.400 0.077 0.000 0.652 14 E CB -1.496 28.255 29.700 0.084 0.000 1.036 14 E HN -0.077 8.311 8.360 0.048 0.000 0.302 15 A N -0.860 121.992 122.820 0.054 0.000 2.399 15 A HA 0.220 4.603 4.320 0.105 0.000 0.327 15 A C -0.252 177.250 177.584 -0.136 0.000 1.367 15 A CA -0.977 51.040 52.037 -0.034 0.000 0.842 15 A CB 0.589 19.531 19.000 -0.096 0.000 1.142 15 A HN -0.193 7.957 8.150 0.027 0.015 0.495 16 G N 3.867 112.652 108.800 -0.024 0.000 3.541 16 G HA2 0.288 4.219 3.960 -0.049 0.000 0.253 16 G HA3 0.288 4.317 3.960 0.114 0.000 0.253 16 G C -0.729 174.129 174.900 -0.070 0.000 1.017 16 G CA -0.236 44.864 45.100 -0.001 0.000 1.832 16 G HN 0.356 8.781 8.290 0.226 0.000 0.649 17 I N 1.303 121.651 120.570 -0.370 0.000 2.400 17 I HA -0.247 3.828 4.170 -0.159 0.000 0.248 17 I C -0.031 176.027 176.117 -0.098 0.000 1.109 17 I CA 1.902 62.982 61.300 -0.367 0.000 1.425 17 I CB 0.446 38.012 38.000 -0.722 0.000 1.094 17 I HN -0.381 7.488 8.210 -0.416 0.091 0.425 18 T N 0.953 115.389 114.554 -0.197 0.000 2.934 18 T HA -0.350 4.036 4.350 -0.234 -0.177 0.306 18 T C -0.137 174.483 174.700 -0.132 0.000 1.042 18 T CA 3.338 65.331 62.100 -0.178 0.000 1.145 18 T CB 0.106 68.874 68.868 -0.167 0.000 0.982 18 T HN -0.363 7.729 8.240 -0.248 0.000 0.544 19 G N 4.222 112.911 108.800 -0.184 0.000 2.340 19 G HA2 -0.176 3.643 3.960 -0.235 0.000 0.282 19 G HA3 -0.176 3.580 3.960 -0.341 0.000 0.282 19 G C -3.170 171.540 174.900 -0.317 0.000 1.312 19 G CA 0.007 44.947 45.100 -0.266 0.000 0.942 19 G HN 0.135 8.289 8.290 -0.227 0.000 0.495 20 T N 2.094 116.402 114.554 -0.409 0.000 2.779 20 T HA 0.781 5.093 4.350 -0.363 -0.180 0.280 20 T C -1.012 173.362 174.700 -0.543 0.000 0.987 20 T CA 0.620 62.474 62.100 -0.409 0.000 0.966 20 T CB 1.263 69.930 68.868 -0.335 0.000 0.933 20 T HN 0.037 8.024 8.240 -0.423 0.000 0.442 21 W N 5.353 126.371 121.300 -0.470 0.000 2.799 21 W HA 0.390 5.144 4.660 -0.051 -0.124 0.349 21 W C -1.819 174.509 176.519 -0.318 0.000 1.100 21 W CA -1.343 55.884 57.345 -0.196 0.000 1.174 21 W CB 3.638 33.139 29.460 0.068 0.000 1.427 21 W HN 1.024 8.976 8.180 -0.195 0.111 0.547 22 Y N -2.650 117.958 120.300 0.512 0.000 2.512 22 Y HA 0.915 5.878 4.550 0.321 -0.221 0.348 22 Y C -0.804 175.291 175.900 0.324 0.000 0.990 22 Y CA -1.945 56.362 58.100 0.346 0.000 1.033 22 Y CB 3.495 42.057 38.460 0.169 0.000 1.259 22 Y HN 0.998 9.690 8.280 0.687 0.000 0.461 23 N N 0.281 119.137 118.700 0.259 0.000 2.741 23 N HA 0.705 5.578 4.740 -0.129 -0.211 0.310 23 N C 2.030 177.555 175.510 0.026 0.000 1.295 23 N CA -2.970 50.007 53.050 -0.121 0.000 0.893 23 N CB 1.863 39.986 38.487 -0.607 0.000 1.247 23 N HN -0.105 8.448 8.380 0.288 0.000 0.596 24 Q N -0.714 119.076 119.800 -0.016 0.000 2.439 24 Q HA -0.145 4.224 4.340 0.048 0.000 0.211 24 Q C 0.314 176.338 176.000 0.041 0.000 0.978 24 Q CA 2.263 58.084 55.803 0.031 0.000 0.897 24 Q CB -0.830 27.926 28.738 0.030 0.000 0.956 24 Q HN 0.299 8.518 8.270 -0.084 0.000 0.483 25 L N -2.957 118.295 121.223 0.048 0.000 2.529 25 L HA 0.200 4.568 4.340 0.045 0.000 0.223 25 L C 0.763 177.678 176.870 0.076 0.000 1.113 25 L CA -0.174 54.701 54.840 0.059 0.000 0.861 25 L CB 0.550 42.651 42.059 0.070 0.000 1.012 25 L HN -0.306 8.137 8.230 0.036 -0.192 0.461 26 G N -2.126 106.736 108.800 0.103 0.000 2.144 26 G HA2 -0.349 3.700 3.960 0.148 0.000 0.218 26 G HA3 -0.349 3.666 3.960 0.092 0.000 0.218 26 G C -0.339 174.668 174.900 0.177 0.000 0.988 26 G CA -0.178 45.001 45.100 0.131 0.000 0.659 26 G HN -0.229 8.060 8.290 0.105 0.064 0.522 27 S N 1.206 117.008 115.700 0.170 0.000 2.585 27 S HA 0.078 4.687 4.470 0.120 -0.067 0.273 27 S C -0.933 173.712 174.600 0.074 0.000 1.339 27 S CA 2.048 60.325 58.200 0.129 0.000 1.028 27 S CB 1.355 64.686 63.200 0.218 0.000 0.906 27 S HN -0.381 8.260 8.310 0.158 -0.236 0.528 28 T N 4.966 119.452 114.554 -0.113 0.000 2.792 28 T HA 0.611 4.994 4.350 -0.226 -0.169 0.280 28 T C -1.625 172.849 174.700 -0.377 0.000 0.990 28 T CA -0.022 61.951 62.100 -0.211 0.000 0.960 28 T CB 1.617 70.410 68.868 -0.125 0.000 0.939 28 T HN 0.610 8.764 8.240 -0.143 0.000 0.439 29 F N 9.356 129.016 119.950 -0.483 0.000 2.427 29 F HA 0.636 4.961 4.527 -0.558 -0.133 0.348 29 F C -2.945 172.656 175.800 -0.332 0.000 1.125 29 F CA -3.047 54.651 58.000 -0.504 0.000 0.989 29 F CB 2.969 41.607 39.000 -0.603 0.000 1.165 29 F HN 0.996 9.095 8.300 -0.161 0.104 0.442 30 I N 8.810 129.115 120.570 -0.442 0.000 2.382 30 I HA 0.649 4.722 4.170 -0.469 -0.185 0.286 30 I C -2.339 173.433 176.117 -0.576 0.000 1.002 30 I CA -0.997 60.030 61.300 -0.455 0.000 1.135 30 I CB 2.068 39.914 38.000 -0.257 0.000 1.288 30 I HN 0.795 8.858 8.210 -0.244 0.000 0.448 31 V N 7.706 127.204 119.914 -0.693 0.000 3.078 31 V HA 0.850 4.869 4.120 -0.456 -0.173 0.311 31 V C -2.159 173.706 176.094 -0.382 0.000 1.138 31 V CA -3.164 58.769 62.300 -0.612 0.000 1.007 31 V CB 4.891 36.078 31.823 -1.060 0.000 1.045 31 V HN 0.780 8.596 8.190 -0.623 0.000 0.432 32 T N 7.209 121.591 114.554 -0.286 0.000 2.812 32 T HA 0.287 4.513 4.350 -0.207 0.000 0.282 32 T C -2.243 172.343 174.700 -0.189 0.000 0.990 32 T CA -0.757 61.222 62.100 -0.201 0.000 0.960 32 T CB 1.976 70.765 68.868 -0.133 0.000 0.948 32 T HN 0.299 8.378 8.240 -0.269 0.000 0.438 33 A N 6.984 129.678 122.820 -0.209 0.000 2.276 33 A HA 0.812 5.232 4.320 -0.134 -0.181 0.316 33 A C -0.774 176.814 177.584 0.007 0.000 1.229 33 A CA -2.084 49.828 52.037 -0.209 0.000 0.851 33 A CB 1.733 20.361 19.000 -0.621 0.000 1.165 33 A HN 0.571 8.594 8.150 -0.211 0.000 0.513 34 G N 0.943 109.837 108.800 0.156 0.000 2.420 34 G HA2 0.205 4.201 3.960 0.059 0.000 0.284 34 G HA3 0.205 4.221 3.960 0.093 0.000 0.284 34 G C 0.298 175.304 174.900 0.176 0.000 1.177 34 G CA -1.173 43.999 45.100 0.120 0.000 0.841 34 G HN 0.531 8.848 8.290 0.228 0.110 0.527 35 A N 2.086 124.962 122.820 0.094 0.000 2.084 35 A HA -0.261 4.127 4.320 0.113 0.000 0.221 35 A C 0.335 177.926 177.584 0.011 0.000 1.161 35 A CA 2.458 54.537 52.037 0.071 0.000 0.653 35 A CB -0.413 18.607 19.000 0.033 0.000 0.802 35 A HN 0.562 8.747 8.150 0.059 0.000 0.457 36 D N -3.470 116.925 120.400 -0.009 0.000 2.358 36 D HA -0.016 4.576 4.640 -0.080 0.000 0.224 36 D C -0.285 175.919 176.300 -0.159 0.000 1.123 36 D CA -0.992 52.967 54.000 -0.069 0.000 0.833 36 D CB 0.127 40.905 40.800 -0.036 0.000 0.946 36 D HN -0.353 7.991 8.370 0.020 0.038 0.505 37 G N -1.662 106.974 108.800 -0.273 0.000 2.163 37 G HA2 -0.365 2.736 3.960 -1.542 0.000 0.213 37 G HA3 -0.365 3.335 3.960 -0.434 0.000 0.213 37 G C -1.882 172.969 174.900 -0.082 0.000 0.991 37 G CA 0.055 44.827 45.100 -0.546 0.000 0.653 37 G HN -0.064 7.976 8.290 -0.146 0.163 0.518 38 A N -0.260 122.626 122.820 0.110 0.000 2.293 38 A HA 0.481 4.989 4.320 0.119 -0.118 0.302 38 A C -1.645 176.068 177.584 0.214 0.000 1.119 38 A CA -1.323 50.800 52.037 0.143 0.000 0.823 38 A CB 2.298 21.342 19.000 0.074 0.000 1.097 38 A HN -0.653 7.556 8.150 0.100 0.000 0.491 39 L N 1.544 122.853 121.223 0.144 0.000 2.381 39 L HA 0.963 5.496 4.340 -0.015 -0.203 0.274 39 L C -0.331 176.545 176.870 0.010 0.000 0.988 39 L CA -1.443 53.426 54.840 0.048 0.000 0.824 39 L CB 3.077 45.173 42.059 0.060 0.000 1.263 39 L HN 0.159 8.398 8.230 0.131 0.070 0.410 40 T N -0.915 113.606 114.554 -0.055 0.000 2.933 40 T HA 0.753 5.244 4.350 -0.014 -0.150 0.305 40 T C -0.772 173.865 174.700 -0.104 0.000 1.092 40 T CA -1.950 60.122 62.100 -0.047 0.000 1.008 40 T CB 3.219 72.069 68.868 -0.029 0.000 1.102 40 T HN 0.344 8.523 8.240 -0.100 0.000 0.469 41 G N 0.752 109.505 108.800 -0.077 0.000 2.356 41 G HA2 0.386 4.278 3.960 -0.113 0.000 0.281 41 G HA3 0.386 4.433 3.960 -0.197 -0.205 0.281 41 G C -2.831 172.045 174.900 -0.040 0.000 1.246 41 G CA 1.092 46.125 45.100 -0.112 0.000 0.889 41 G HN -0.168 8.102 8.290 -0.034 0.000 0.486 42 T N -2.385 112.147 114.554 -0.037 0.000 2.906 42 T HA 1.027 5.616 4.350 0.094 -0.183 0.295 42 T C -2.439 172.343 174.700 0.137 0.000 1.075 42 T CA -2.408 59.726 62.100 0.057 0.000 1.005 42 T CB 3.668 72.552 68.868 0.026 0.000 1.136 42 T HN 0.378 8.552 8.240 -0.109 0.000 0.498 43 Y N 1.361 121.727 120.300 0.110 0.000 2.442 43 Y HA 0.743 5.581 4.550 0.159 -0.192 0.344 43 Y C -2.568 173.520 175.900 0.313 0.000 0.976 43 Y CA -1.845 56.361 58.100 0.177 0.000 1.040 43 Y CB 4.727 43.255 38.460 0.112 0.000 1.228 43 Y HN 0.864 9.225 8.280 0.313 0.107 0.451 44 E N 7.625 127.923 120.200 0.163 0.000 2.244 44 E HA 0.523 5.341 4.350 0.537 -0.145 0.260 44 E C -2.201 174.571 176.600 0.287 0.000 0.884 44 E CA -1.597 54.989 56.400 0.309 0.000 0.777 44 E CB 3.921 33.702 29.700 0.134 0.000 1.197 44 E HN 0.495 8.656 8.360 -0.331 0.000 0.416 45 S N 7.683 123.678 115.700 0.492 0.000 2.554 45 S HA 0.147 4.873 4.470 0.426 0.000 0.278 45 S C -0.158 174.545 174.600 0.171 0.000 1.242 45 S CA -1.008 57.412 58.200 0.365 0.000 1.051 45 S CB 1.298 64.624 63.200 0.210 0.000 0.986 45 S HN 0.736 9.415 8.310 0.615 0.000 0.502 46 A N 6.482 129.380 122.820 0.129 0.000 2.178 46 A HA 0.119 4.483 4.320 0.074 0.000 0.211 46 A C -0.201 177.400 177.584 0.028 0.000 1.157 46 A CA 0.596 52.678 52.037 0.075 0.000 0.780 46 A CB 0.622 19.668 19.000 0.076 0.000 0.828 46 A HN 0.358 8.605 8.150 0.162 0.000 0.476 47 V N -5.798 114.113 119.914 -0.005 0.000 3.141 47 V HA 0.398 4.491 4.120 -0.046 0.000 0.312 47 V C -0.025 175.973 176.094 -0.160 0.000 1.157 47 V CA -1.699 60.562 62.300 -0.064 0.000 1.041 47 V CB 2.759 34.548 31.823 -0.057 0.000 1.071 47 V HN -0.558 7.591 8.190 0.014 0.048 0.441 48 G N 0.885 109.584 108.800 -0.168 0.000 2.698 48 G HA2 -0.317 3.515 3.960 -0.213 0.000 0.225 48 G HA3 -0.317 3.409 3.960 -0.390 0.000 0.225 48 G C -1.204 173.572 174.900 -0.207 0.000 1.345 48 G CA -0.385 44.564 45.100 -0.252 0.000 0.871 48 G HN 0.366 8.586 8.290 -0.118 0.000 0.540 49 N N 2.753 121.304 118.700 -0.249 0.000 3.124 49 N HA 0.038 4.728 4.740 -0.084 0.000 0.284 49 N C -1.862 173.567 175.510 -0.135 0.000 1.209 49 N CA -0.965 51.997 53.050 -0.147 0.000 1.149 49 N CB -1.421 36.990 38.487 -0.126 0.000 1.434 49 N HN 0.067 8.251 8.380 -0.326 0.000 0.529 50 A N 1.047 123.825 122.820 -0.070 0.000 2.594 50 A HA 0.442 4.937 4.320 0.291 0.000 0.295 50 A C -2.447 175.259 177.584 0.203 0.000 1.071 50 A CA -0.887 51.220 52.037 0.116 0.000 0.685 50 A CB 2.861 21.809 19.000 -0.088 0.000 1.285 50 A HN -0.435 7.623 8.150 -0.070 0.050 0.405 51 E N 0.227 120.641 120.200 0.356 0.000 2.354 51 E HA 0.318 4.732 4.350 0.106 0.000 0.283 51 E C -1.169 175.466 176.600 0.058 0.000 0.938 51 E CA -0.797 55.681 56.400 0.129 0.000 0.777 51 E CB 3.258 32.947 29.700 -0.018 0.000 1.222 51 E HN 0.206 8.955 8.360 0.649 0.000 0.423 52 S N 0.080 115.763 115.700 -0.029 0.000 3.630 52 S HA -0.442 4.102 4.470 -0.078 -0.120 0.634 52 S C -1.381 173.246 174.600 0.046 0.000 2.333 52 S CA 1.039 59.185 58.200 -0.090 0.000 2.607 52 S CB 0.302 63.313 63.200 -0.315 0.000 0.329 52 S HN 0.283 8.586 8.310 -0.011 0.000 1.712 53 R N -1.169 119.317 120.500 -0.023 0.000 2.536 53 R HA 0.319 4.982 4.340 0.236 -0.182 0.279 53 R C -0.770 175.424 176.300 -0.178 0.000 1.001 53 R CA -0.107 56.019 56.100 0.043 0.000 1.027 53 R CB 1.363 31.689 30.300 0.043 0.000 1.096 53 R HN -0.077 8.172 8.270 -0.034 0.000 0.502 54 Y N -1.746 118.649 120.300 0.159 0.000 2.536 54 Y HA 0.181 4.783 4.550 0.088 0.000 0.347 54 Y C -0.778 175.145 175.900 0.038 0.000 1.000 54 Y CA -1.303 56.848 58.100 0.086 0.000 1.051 54 Y CB 2.976 41.439 38.460 0.005 0.000 1.259 54 Y HN 0.526 8.947 8.280 0.404 0.102 0.468 55 V N 1.551 121.550 119.914 0.141 0.000 2.649 55 V HA 0.146 4.446 4.120 0.066 -0.140 0.292 55 V C -0.394 175.737 176.094 0.062 0.000 1.055 55 V CA 0.511 62.855 62.300 0.074 0.000 1.023 55 V CB 0.166 32.014 31.823 0.042 0.000 0.992 55 V HN 0.743 9.019 8.190 0.143 0.000 0.480 56 L N 1.672 122.934 121.223 0.064 0.000 2.371 56 L HA 1.054 5.605 4.340 0.082 -0.162 0.262 56 L C -1.557 175.360 176.870 0.078 0.000 1.006 56 L CA -1.593 53.302 54.840 0.090 0.000 0.818 56 L CB 4.071 46.206 42.059 0.128 0.000 1.354 56 L HN 0.435 8.695 8.230 0.051 0.000 0.415 57 T N 0.800 115.425 114.554 0.118 0.000 2.923 57 T HA 0.704 5.269 4.350 0.075 -0.170 0.311 57 T C -1.429 173.376 174.700 0.176 0.000 1.183 57 T CA -1.380 60.782 62.100 0.103 0.000 1.020 57 T CB 2.358 71.267 68.868 0.069 0.000 1.165 57 T HN -0.122 8.213 8.240 0.159 0.000 0.482 58 G N 2.597 111.499 108.800 0.170 0.000 2.619 58 G HA2 0.681 4.765 3.960 0.207 0.000 0.305 58 G HA3 0.681 4.967 3.960 0.322 -0.133 0.305 58 G C -2.812 172.198 174.900 0.183 0.000 1.330 58 G CA 0.494 45.728 45.100 0.225 0.000 0.789 58 G HN 0.454 8.819 8.290 0.126 0.000 0.487 59 R N -3.090 117.535 120.500 0.208 0.000 2.740 59 R HA 1.151 5.805 4.340 0.185 -0.204 0.273 59 R C -1.683 174.775 176.300 0.263 0.000 0.998 59 R CA -2.403 53.806 56.100 0.181 0.000 0.900 59 R CB 4.789 35.144 30.300 0.092 0.000 1.223 59 R HN 0.093 8.506 8.270 0.238 0.000 0.466 60 Y N -2.632 117.700 120.300 0.053 0.000 2.625 60 Y HA 0.604 5.329 4.550 0.074 -0.131 0.338 60 Y C -2.075 173.848 175.900 0.038 0.000 1.123 60 Y CA -2.457 55.674 58.100 0.052 0.000 1.046 60 Y CB 2.514 40.992 38.460 0.029 0.000 1.299 60 Y HN 0.391 8.686 8.280 0.024 0.000 0.464 61 D N 1.385 121.801 120.400 0.026 0.000 2.344 61 D HA 0.013 4.574 4.640 -0.131 0.000 0.253 61 D C -0.006 176.197 176.300 -0.162 0.000 1.255 61 D CA -0.440 53.517 54.000 -0.070 0.000 0.894 61 D CB 0.064 40.897 40.800 0.056 0.000 1.067 61 D HN -0.181 8.325 8.370 0.227 0.000 0.492 62 S N 5.129 120.594 115.700 -0.391 0.000 2.603 62 S HA -0.181 4.178 4.470 -0.184 0.000 0.220 62 S C -0.193 174.375 174.600 -0.053 0.000 0.967 62 S CA 0.437 58.456 58.200 -0.300 0.000 0.920 62 S CB 0.630 63.575 63.200 -0.425 0.000 0.773 62 S HN 0.180 8.259 8.310 -0.385 0.000 0.529 63 A N 1.497 124.298 122.820 -0.032 0.000 3.308 63 A HA 0.446 4.781 4.320 0.025 0.000 0.275 63 A C -2.758 174.844 177.584 0.031 0.000 0.950 63 A CA -1.780 50.262 52.037 0.008 0.000 0.987 63 A CB 0.243 19.237 19.000 -0.010 0.000 1.146 63 A HN -0.429 7.883 8.150 -0.055 -0.195 0.488 64 P HA -0.060 4.614 4.420 0.064 -0.216 0.271 64 P C -0.361 176.975 177.300 0.060 0.000 1.244 64 P CA -0.548 62.597 63.100 0.075 0.000 0.793 64 P CB 0.835 32.606 31.700 0.118 0.000 0.984 65 A N 2.436 125.290 122.820 0.056 0.000 2.445 65 A HA 0.032 4.375 4.320 0.038 0.000 0.242 65 A C 0.534 178.147 177.584 0.049 0.000 1.075 65 A CA 0.416 52.480 52.037 0.045 0.000 0.777 65 A CB 0.636 19.660 19.000 0.040 0.000 1.013 65 A HN 0.324 8.511 8.150 0.061 0.000 0.493 66 T N -2.377 112.201 114.554 0.040 0.000 3.330 66 T HA -0.019 4.358 4.350 0.045 0.000 0.249 66 T C -1.526 173.194 174.700 0.034 0.000 0.980 66 T CA -0.824 61.300 62.100 0.038 0.000 0.920 66 T CB -0.157 68.731 68.868 0.032 0.000 1.065 66 T HN -0.101 8.159 8.240 0.034 0.000 0.588 67 D N 0.232 120.653 120.400 0.035 0.000 2.650 67 D HA 0.023 4.679 4.640 0.027 0.000 0.255 67 D C 0.573 176.893 176.300 0.033 0.000 1.135 67 D CA -1.310 52.708 54.000 0.030 0.000 1.099 67 D CB 0.835 41.651 40.800 0.027 0.000 1.273 67 D HN -0.365 7.908 8.370 0.040 0.120 0.628 68 G N -1.804 107.013 108.800 0.029 0.000 3.452 68 G HA2 -0.081 3.898 3.960 0.032 0.000 0.258 68 G HA3 -0.081 3.893 3.960 0.024 0.000 0.258 68 G C -0.337 174.582 174.900 0.032 0.000 1.305 68 G CA -0.256 44.861 45.100 0.029 0.000 1.514 68 G HN 0.008 8.313 8.290 0.025 0.000 0.593 69 S N 1.520 117.244 115.700 0.040 0.000 2.652 69 S HA 0.327 4.819 4.470 0.037 0.000 0.270 69 S C 0.544 175.179 174.600 0.058 0.000 1.243 69 S CA -0.275 57.952 58.200 0.045 0.000 0.999 69 S CB 1.381 64.609 63.200 0.047 0.000 0.973 69 S HN -0.802 7.607 8.310 0.043 -0.073 0.544 70 G N 0.110 108.947 108.800 0.061 0.000 2.580 70 G HA2 0.292 4.345 3.960 0.066 0.000 0.278 70 G HA3 0.292 4.421 3.960 0.070 -0.128 0.278 70 G C -1.268 173.712 174.900 0.134 0.000 1.212 70 G CA -0.474 44.675 45.100 0.081 0.000 0.939 70 G HN -0.186 8.217 8.290 0.053 -0.081 0.513 71 T N 3.681 118.359 114.554 0.207 0.000 2.743 71 T HA 0.105 4.568 4.350 0.189 0.000 0.292 71 T C -0.690 174.142 174.700 0.219 0.000 0.972 71 T CA 0.413 62.656 62.100 0.238 0.000 0.967 71 T CB 0.982 70.052 68.868 0.337 0.000 0.926 71 T HN -0.021 8.362 8.240 0.239 0.000 0.459 72 A N 8.472 131.396 122.820 0.172 0.000 2.407 72 A HA 0.565 5.157 4.320 0.152 -0.180 0.248 72 A C -1.414 176.288 177.584 0.197 0.000 1.082 72 A CA -0.194 51.936 52.037 0.156 0.000 0.785 72 A CB 0.989 20.055 19.000 0.109 0.000 1.020 72 A HN 0.656 8.896 8.150 0.149 0.000 0.489 73 L N -5.051 116.292 121.223 0.199 0.000 2.838 73 L HA 0.969 5.579 4.340 0.241 -0.126 0.266 73 L C -1.324 175.685 176.870 0.233 0.000 1.040 73 L CA -0.612 54.376 54.840 0.247 0.000 0.906 73 L CB 2.960 45.191 42.059 0.288 0.000 1.501 73 L HN 0.151 8.486 8.230 0.175 0.000 0.407 74 G N -3.872 105.098 108.800 0.284 0.000 2.632 74 G HA2 0.742 4.915 3.960 0.118 0.000 0.292 74 G HA3 0.742 4.772 3.960 0.117 0.000 0.292 74 G C -3.213 171.908 174.900 0.368 0.000 1.465 74 G CA 0.747 45.974 45.100 0.211 0.000 0.824 74 G HN -0.017 8.465 8.290 0.319 0.000 0.509 75 W N -3.488 117.869 121.300 0.095 0.000 3.066 75 W HA 0.698 5.501 4.660 0.060 -0.106 0.330 75 W C -3.127 173.474 176.519 0.137 0.000 1.253 75 W CA -1.506 55.881 57.345 0.069 0.000 1.187 75 W CB 2.092 31.543 29.460 -0.014 0.000 1.434 75 W HN 0.455 8.540 8.180 -0.159 0.000 0.572 76 T N 1.029 115.741 114.554 0.263 0.000 2.907 76 T HA 0.958 5.563 4.350 0.064 -0.216 0.292 76 T C -1.495 173.278 174.700 0.122 0.000 1.043 76 T CA -0.624 61.549 62.100 0.122 0.000 1.003 76 T CB 3.287 72.180 68.868 0.042 0.000 1.084 76 T HN 0.556 8.993 8.240 0.329 0.000 0.483 77 V N 3.428 123.306 119.914 -0.060 0.000 2.623 77 V HA 0.334 4.474 4.120 -0.212 -0.147 0.304 77 V C -2.370 173.374 176.094 -0.583 0.000 1.054 77 V CA -1.158 60.924 62.300 -0.363 0.000 0.882 77 V CB 3.976 35.329 31.823 -0.783 0.000 1.002 77 V HN 0.494 8.624 8.190 -0.100 0.000 0.424 78 A N 5.191 127.766 122.820 -0.409 0.000 2.260 78 A HA 0.550 4.837 4.320 -0.238 -0.110 0.314 78 A C -0.181 177.216 177.584 -0.312 0.000 1.257 78 A CA -1.705 50.181 52.037 -0.252 0.000 0.871 78 A CB 1.561 20.522 19.000 -0.065 0.000 1.166 78 A HN 0.683 8.669 8.150 -0.272 0.000 0.522 79 W N 5.495 126.748 121.300 -0.079 0.000 1.395 79 W HA -0.101 4.255 4.660 -0.507 0.000 0.451 79 W C -1.405 175.159 176.519 0.075 0.000 0.619 79 W CA -1.216 56.003 57.345 -0.210 0.000 2.212 79 W CB -0.905 28.358 29.460 -0.329 0.000 1.537 79 W HN 0.570 8.730 8.180 -0.033 0.000 0.275 80 K N 1.258 121.899 120.400 0.400 0.000 2.443 80 K HA 0.757 5.475 4.320 0.311 -0.211 0.252 80 K C -1.804 174.988 176.600 0.321 0.000 0.933 80 K CA -1.252 55.225 56.287 0.317 0.000 0.792 80 K CB 3.193 35.778 32.500 0.141 0.000 1.185 80 K HN -0.239 8.139 8.250 0.342 0.077 0.425 81 N N 4.973 123.786 118.700 0.188 0.000 3.344 81 N HA 0.219 4.955 4.740 -0.008 0.000 0.296 81 N C -0.509 174.975 175.510 -0.044 0.000 1.571 81 N CA -0.987 52.050 53.050 -0.020 0.000 0.844 81 N CB 0.689 38.971 38.487 -0.343 0.000 1.718 81 N HN 0.618 9.121 8.380 0.204 0.000 0.589 82 N N -1.651 116.953 118.700 -0.160 0.000 2.520 82 N HA -0.045 4.590 4.740 -0.175 0.000 0.185 82 N C -0.151 175.136 175.510 -0.372 0.000 1.068 82 N CA 1.952 54.827 53.050 -0.292 0.000 0.911 82 N CB -0.238 37.984 38.487 -0.440 0.000 0.961 82 N HN 0.292 8.570 8.380 -0.170 0.000 0.446 83 Y N -2.312 117.969 120.300 -0.031 0.000 2.396 83 Y HA -0.001 4.550 4.550 0.001 0.000 0.292 83 Y C 0.077 175.998 175.900 0.035 0.000 1.128 83 Y CA 1.908 60.007 58.100 -0.001 0.000 1.194 83 Y CB 1.373 39.828 38.460 -0.007 0.000 1.124 83 Y HN -0.174 8.346 8.280 -0.010 -0.246 0.543 84 R N -4.171 116.469 120.500 0.234 0.000 2.764 84 R HA 0.323 4.736 4.340 0.122 0.000 0.270 84 R C -2.912 173.487 176.300 0.165 0.000 1.014 84 R CA -1.214 54.995 56.100 0.182 0.000 0.904 84 R CB 4.362 34.789 30.300 0.213 0.000 1.236 84 R HN -0.066 8.671 8.270 0.243 -0.321 0.466 85 N N -0.306 118.419 118.700 0.042 0.000 2.533 85 N HA 0.378 5.320 4.740 0.036 -0.180 0.289 85 N C -1.091 174.261 175.510 -0.264 0.000 1.103 85 N CA -0.057 52.929 53.050 -0.106 0.000 0.877 85 N CB 1.139 39.474 38.487 -0.253 0.000 1.419 85 N HN 0.166 8.555 8.380 0.016 0.000 0.517 86 A N 2.244 124.989 122.820 -0.125 0.000 2.308 86 A HA 0.111 4.383 4.320 -0.081 0.000 0.217 86 A C 0.215 177.782 177.584 -0.028 0.000 1.216 86 A CA 0.002 51.989 52.037 -0.085 0.000 0.864 86 A CB 0.909 19.876 19.000 -0.055 0.000 0.902 86 A HN 0.699 8.858 8.150 0.016 0.000 0.499 87 H N -2.087 117.037 119.070 0.090 0.000 2.677 87 H HA -0.360 4.240 4.556 0.073 0.000 0.321 87 H C -1.873 173.490 175.328 0.059 0.000 1.171 87 H CA 1.072 57.159 56.048 0.065 0.000 1.139 87 H CB -2.983 26.801 29.762 0.036 0.000 1.515 87 H HN -0.147 8.172 8.280 -0.300 -0.219 0.423 88 S N -4.840 110.965 115.700 0.174 0.000 2.625 88 S HA 0.915 5.572 4.470 0.116 -0.117 0.271 88 S C -2.575 172.178 174.600 0.255 0.000 1.161 88 S CA -1.042 57.259 58.200 0.168 0.000 0.820 88 S CB 4.138 67.397 63.200 0.098 0.000 1.137 88 S HN -0.304 8.113 8.310 0.178 0.000 0.470 89 A N -1.512 121.425 122.820 0.194 0.000 2.547 89 A HA 0.815 5.258 4.320 -0.033 -0.143 0.297 89 A C -2.379 175.223 177.584 0.030 0.000 1.056 89 A CA -0.282 51.794 52.037 0.064 0.000 0.688 89 A CB 3.887 22.877 19.000 -0.018 0.000 1.282 89 A HN 0.679 8.907 8.150 0.129 0.000 0.400 90 T N 3.921 118.423 114.554 -0.087 0.000 2.863 90 T HA 1.077 5.504 4.350 -0.245 -0.225 0.285 90 T C -0.714 173.742 174.700 -0.407 0.000 1.009 90 T CA -1.251 60.658 62.100 -0.318 0.000 0.989 90 T CB 2.640 71.113 68.868 -0.658 0.000 1.004 90 T HN 0.773 8.875 8.240 -0.231 0.000 0.455 91 T N 1.674 115.980 114.554 -0.414 0.000 2.861 91 T HA 0.811 5.254 4.350 -0.183 -0.203 0.287 91 T C -1.378 173.083 174.700 -0.398 0.000 1.003 91 T CA -1.964 59.971 62.100 -0.274 0.000 0.977 91 T CB 2.648 71.434 68.868 -0.138 0.000 0.996 91 T HN 0.567 8.582 8.240 -0.375 0.000 0.448 92 W N 4.508 125.441 121.300 -0.612 0.000 2.587 92 W HA 0.438 5.080 4.660 -0.271 -0.145 0.324 92 W C -1.506 174.700 176.519 -0.523 0.000 1.040 92 W CA -1.280 55.663 57.345 -0.670 0.000 1.222 92 W CB 3.548 32.102 29.460 -1.510 0.000 1.381 92 W HN 0.948 8.946 8.180 -0.304 0.000 0.483 93 S N 2.117 117.778 115.700 -0.064 0.000 2.532 93 S HA 0.793 5.396 4.470 -0.001 -0.134 0.299 93 S C -1.109 173.523 174.600 0.054 0.000 1.105 93 S CA -1.392 56.804 58.200 -0.008 0.000 1.018 93 S CB 1.750 64.946 63.200 -0.008 0.000 1.021 93 S HN 0.566 8.869 8.310 -0.011 0.000 0.483 94 G N 3.180 112.038 108.800 0.096 0.000 2.364 94 G HA2 0.489 4.510 3.960 0.101 0.000 0.286 94 G HA3 0.489 4.726 3.960 0.162 -0.180 0.286 94 G C -3.558 171.431 174.900 0.148 0.000 1.241 94 G CA 0.948 46.125 45.100 0.128 0.000 0.887 94 G HN 0.452 8.806 8.290 0.106 0.000 0.484 95 Q N -3.122 116.773 119.800 0.158 0.000 2.418 95 Q HA 0.806 5.428 4.340 0.192 -0.167 0.282 95 Q C -2.546 173.563 176.000 0.183 0.000 1.044 95 Q CA -1.985 53.919 55.803 0.167 0.000 0.813 95 Q CB 4.460 33.272 28.738 0.124 0.000 1.428 95 Q HN 0.074 8.439 8.270 0.158 0.000 0.402 96 Y N 3.183 123.525 120.300 0.070 0.000 2.323 96 Y HA 0.650 5.381 4.550 0.018 -0.170 0.331 96 Y C -2.238 173.712 175.900 0.083 0.000 1.092 96 Y CA -1.449 56.676 58.100 0.042 0.000 1.150 96 Y CB 2.336 40.798 38.460 0.002 0.000 1.200 96 Y HN 0.662 9.015 8.280 0.304 0.109 0.472 97 V N 7.479 127.037 119.914 -0.593 0.000 2.483 97 V HA 0.313 4.232 4.120 -0.334 0.000 0.297 97 V C -1.113 174.554 176.094 -0.712 0.000 1.027 97 V CA -1.233 60.798 62.300 -0.447 0.000 0.855 97 V CB 3.175 34.908 31.823 -0.151 0.000 0.995 97 V HN 0.703 8.582 8.190 -0.518 0.000 0.424 98 G N 3.578 112.016 108.800 -0.603 0.000 2.568 98 G HA2 0.613 4.396 3.960 -0.295 0.000 0.293 98 G HA3 0.613 4.527 3.960 -0.078 0.000 0.293 98 G C -1.197 173.664 174.900 -0.065 0.000 1.347 98 G CA -1.644 43.285 45.100 -0.286 0.000 1.039 98 G HN 0.144 8.196 8.290 -0.397 0.000 0.523 99 G N -3.035 105.779 108.800 0.023 0.000 2.373 99 G HA2 -0.227 3.754 3.960 0.035 0.000 0.634 99 G HA3 -0.227 3.740 3.960 0.012 0.000 0.634 99 G C -0.516 174.404 174.900 0.034 0.000 1.267 99 G CA -0.810 44.306 45.100 0.027 0.000 1.008 99 G HN -0.332 8.002 8.290 0.073 0.000 0.497 100 A N -0.506 122.330 122.820 0.026 0.000 1.884 100 A HA -0.181 4.151 4.320 0.020 0.000 0.219 100 A C 0.322 177.922 177.584 0.027 0.000 1.197 100 A CA 2.129 54.180 52.037 0.023 0.000 0.637 100 A CB 0.114 19.125 19.000 0.018 0.000 0.827 100 A HN 0.195 8.359 8.150 0.023 0.000 0.450 101 E N -1.424 118.797 120.200 0.035 0.000 2.376 101 E HA 0.092 4.470 4.350 0.048 0.000 0.236 101 E C -1.910 174.738 176.600 0.079 0.000 0.962 101 E CA -1.337 55.095 56.400 0.053 0.000 0.768 101 E CB -1.072 28.659 29.700 0.052 0.000 1.236 101 E HN -0.117 8.259 8.360 0.031 0.003 0.431 102 A N 5.040 127.926 122.820 0.110 0.000 2.351 102 A HA 0.273 4.750 4.320 0.045 -0.130 0.257 102 A C -0.705 177.092 177.584 0.355 0.000 1.087 102 A CA -0.325 51.816 52.037 0.174 0.000 0.798 102 A CB 1.417 20.606 19.000 0.315 0.000 1.033 102 A HN 0.355 8.556 8.150 0.085 0.000 0.488 103 R N -2.806 117.864 120.500 0.284 0.000 2.739 103 R HA 0.859 5.737 4.340 0.594 -0.182 0.271 103 R C -1.674 174.722 176.300 0.160 0.000 1.010 103 R CA -1.402 54.901 56.100 0.338 0.000 0.897 103 R CB 5.080 35.506 30.300 0.210 0.000 1.236 103 R HN 0.513 8.815 8.270 0.054 0.000 0.466 104 I N 0.469 121.140 120.570 0.169 0.000 2.439 104 I HA 0.446 4.867 4.170 0.115 -0.181 0.283 104 I C -1.878 174.416 176.117 0.296 0.000 1.023 104 I CA -1.170 60.204 61.300 0.123 0.000 1.100 104 I CB 2.291 40.228 38.000 -0.105 0.000 1.238 104 I HN 0.157 8.550 8.210 0.304 0.000 0.445 105 N N 9.590 128.428 118.700 0.231 0.000 2.425 105 N HA 0.413 5.307 4.740 0.256 0.000 0.268 105 N C -1.018 174.642 175.510 0.250 0.000 0.991 105 N CA 0.118 53.304 53.050 0.227 0.000 0.931 105 N CB 2.281 40.854 38.487 0.143 0.000 1.130 105 N HN 0.424 8.911 8.380 0.179 0.000 0.493 106 T N 0.148 114.892 114.554 0.315 0.000 2.887 106 T HA 0.726 5.340 4.350 0.209 -0.139 0.292 106 T C -1.419 173.433 174.700 0.253 0.000 1.087 106 T CA -2.319 59.962 62.100 0.302 0.000 1.009 106 T CB 3.425 72.568 68.868 0.458 0.000 1.203 106 T HN 0.695 9.141 8.240 0.344 0.000 0.518 107 Q N 0.077 119.964 119.800 0.146 0.000 2.375 107 Q HA 0.711 5.160 4.340 -0.065 -0.148 0.271 107 Q C -1.599 174.379 176.000 -0.035 0.000 1.074 107 Q CA -0.938 54.854 55.803 -0.019 0.000 0.808 107 Q CB 4.754 33.453 28.738 -0.064 0.000 1.327 107 Q HN 0.259 8.603 8.270 0.124 0.000 0.441 108 W N -1.149 120.043 121.300 -0.180 0.000 2.975 108 W HA 0.977 5.531 4.660 -0.410 -0.140 0.342 108 W C -2.921 173.404 176.519 -0.324 0.000 1.168 108 W CA -2.903 54.194 57.345 -0.413 0.000 1.141 108 W CB 3.400 32.337 29.460 -0.872 0.000 1.445 108 W HN 1.077 8.713 8.180 -0.726 0.108 0.560 109 L N -0.390 120.862 121.223 0.048 0.000 2.381 109 L HA 0.761 5.328 4.340 0.038 -0.204 0.274 109 L C -1.832 175.067 176.870 0.049 0.000 0.988 109 L CA -1.255 53.606 54.840 0.036 0.000 0.824 109 L CB 2.853 44.883 42.059 -0.049 0.000 1.263 109 L HN 0.571 8.753 8.230 -0.080 0.000 0.410 110 L N 5.910 127.211 121.223 0.131 0.000 2.316 110 L HA 0.746 5.229 4.340 -0.057 -0.177 0.280 110 L C -1.880 174.994 176.870 0.007 0.000 1.006 110 L CA -1.762 53.087 54.840 0.015 0.000 0.836 110 L CB 2.813 44.859 42.059 -0.021 0.000 1.221 110 L HN 0.817 9.162 8.230 0.192 0.000 0.418 111 T N 11.150 125.700 114.554 -0.006 0.000 2.794 111 T HA 0.651 5.204 4.350 -0.023 -0.217 0.280 111 T C -0.579 174.122 174.700 0.003 0.000 0.987 111 T CA -0.311 61.782 62.100 -0.011 0.000 0.993 111 T CB 1.887 70.748 68.868 -0.012 0.000 0.939 111 T HN 0.847 9.082 8.240 -0.007 0.000 0.449 112 S N 6.241 121.932 115.700 -0.015 0.000 2.549 112 S HA 0.475 5.094 4.470 0.034 -0.129 0.297 112 S C -0.072 174.529 174.600 0.001 0.000 1.115 112 S CA -1.078 57.122 58.200 0.001 0.000 1.059 112 S CB 1.658 64.841 63.200 -0.027 0.000 1.046 112 S HN 0.286 8.574 8.310 -0.036 0.000 0.506 113 G N 1.600 110.417 108.800 0.028 0.000 2.364 113 G HA2 0.010 3.970 3.960 0.000 0.000 0.267 113 G HA3 0.010 3.977 3.960 0.012 0.000 0.267 113 G C -1.221 173.665 174.900 -0.024 0.000 1.233 113 G CA 0.318 45.421 45.100 0.005 0.000 0.885 113 G HN 0.361 8.693 8.290 0.069 0.000 0.490 114 T N 1.499 116.032 114.554 -0.035 0.000 2.858 114 T HA 0.275 4.596 4.350 -0.049 0.000 0.285 114 T C -0.876 173.804 174.700 -0.033 0.000 1.052 114 T CA -1.817 60.255 62.100 -0.047 0.000 1.009 114 T CB 2.649 71.472 68.868 -0.075 0.000 1.241 114 T HN -0.106 8.117 8.240 -0.029 0.000 0.542 115 T N -3.307 111.230 114.554 -0.027 0.000 2.881 115 T HA 0.125 4.468 4.350 -0.011 0.000 0.278 115 T C 1.257 175.960 174.700 0.005 0.000 0.982 115 T CA -1.437 60.657 62.100 -0.010 0.000 0.989 115 T CB 1.353 70.219 68.868 -0.003 0.000 1.058 115 T HN -0.124 8.096 8.240 -0.034 0.000 0.529 116 E N 1.215 121.425 120.200 0.018 0.000 2.130 116 E HA -0.410 3.959 4.350 0.033 0.000 0.196 116 E C 2.400 179.044 176.600 0.072 0.000 0.998 116 E CA 3.661 60.083 56.400 0.037 0.000 0.806 116 E CB -0.674 29.045 29.700 0.031 0.000 0.738 116 E HN 0.571 8.938 8.360 0.013 0.000 0.459 117 A N -1.755 121.111 122.820 0.076 0.000 2.119 117 A HA -0.118 4.291 4.320 0.148 0.000 0.217 117 A C 0.203 177.916 177.584 0.214 0.000 1.153 117 A CA 2.191 54.308 52.037 0.134 0.000 0.692 117 A CB -0.417 18.644 19.000 0.103 0.000 0.799 117 A HN 0.218 8.379 8.150 0.052 0.020 0.458 118 N N -4.236 114.516 118.700 0.086 0.000 2.187 118 N HA 0.108 4.796 4.740 -0.087 0.000 0.212 118 N C 0.669 176.056 175.510 -0.206 0.000 1.152 118 N CA 0.211 53.213 53.050 -0.079 0.000 0.872 118 N CB 1.267 39.689 38.487 -0.107 0.000 1.025 118 N HN -0.349 7.890 8.380 0.047 0.170 0.514 119 A N 1.640 124.443 122.820 -0.028 0.000 1.978 119 A HA -0.165 4.116 4.320 -0.065 0.000 0.220 119 A C 1.865 179.431 177.584 -0.029 0.000 1.170 119 A CA 3.004 55.026 52.037 -0.026 0.000 0.636 119 A CB -0.504 18.521 19.000 0.042 0.000 0.810 119 A HN -0.579 7.424 8.150 0.059 0.182 0.448 120 W N -5.046 116.250 121.300 -0.006 0.000 2.364 120 W HA -0.248 4.407 4.660 -0.009 0.000 0.281 120 W C -0.376 176.137 176.519 -0.009 0.000 1.219 120 W CA 0.634 57.974 57.345 -0.008 0.000 1.220 120 W CB -1.015 28.440 29.460 -0.009 0.000 1.127 120 W HN 0.104 8.433 8.180 0.280 0.019 0.556 121 K N -1.779 118.102 120.400 -0.864 0.000 3.010 121 K HA 0.396 4.439 4.320 -0.462 0.000 0.211 121 K C -0.183 176.163 176.600 -0.423 0.000 1.146 121 K CA -0.598 55.218 56.287 -0.785 0.000 1.070 121 K CB -0.716 30.929 32.500 -1.425 0.000 0.908 121 K HN -0.628 6.830 8.250 -1.097 0.134 0.463 122 S N -0.740 114.805 115.700 -0.259 0.000 2.501 122 S HA -0.011 4.356 4.470 -0.171 0.000 0.220 122 S C -0.816 173.724 174.600 -0.101 0.000 0.997 122 S CA 1.207 59.312 58.200 -0.157 0.000 0.919 122 S CB 0.806 63.945 63.200 -0.101 0.000 0.778 122 S HN -0.383 7.732 8.310 -0.213 0.067 0.523 123 T N 4.076 118.577 114.554 -0.089 0.000 2.812 123 T HA 0.651 5.213 4.350 -0.036 -0.234 0.282 123 T C -0.568 174.106 174.700 -0.042 0.000 0.990 123 T CA 0.118 62.188 62.100 -0.050 0.000 0.960 123 T CB 2.108 70.953 68.868 -0.038 0.000 0.948 123 T HN -0.735 7.407 8.240 -0.105 0.035 0.438 124 L N 6.158 127.382 121.223 0.000 0.000 2.344 124 L HA 0.489 4.809 4.340 -0.034 0.000 0.272 124 L C -1.419 175.426 176.870 -0.042 0.000 1.035 124 L CA -0.713 54.139 54.840 0.019 0.000 0.807 124 L CB 2.378 44.528 42.059 0.151 0.000 1.237 124 L HN 0.695 8.940 8.230 0.024 0.000 0.442 125 V N 0.729 120.486 119.914 -0.263 0.000 2.789 125 V HA 0.992 4.994 4.120 -0.554 -0.214 0.311 125 V C -1.463 173.989 176.094 -1.070 0.000 1.073 125 V CA -2.542 59.425 62.300 -0.554 0.000 0.921 125 V CB 3.684 35.321 31.823 -0.310 0.000 1.009 125 V HN 0.037 8.093 8.190 -0.223 0.000 0.426 126 G N 4.915 112.616 108.800 -1.831 0.000 2.619 126 G HA2 0.302 3.780 3.960 -0.803 0.000 0.305 126 G HA3 0.302 2.991 3.960 -2.119 0.000 0.305 126 G C -3.389 170.742 174.900 -1.282 0.000 1.330 126 G CA 0.214 44.322 45.100 -1.653 0.000 0.789 126 G HN 0.026 7.228 8.290 -1.812 0.000 0.487 127 H N -3.981 114.748 119.070 -0.568 0.000 2.894 127 H HA 0.521 5.075 4.556 -0.155 -0.092 0.367 127 H C -1.796 173.660 175.328 0.215 0.000 1.144 127 H CA -1.670 54.294 56.048 -0.139 0.000 1.180 127 H CB 3.512 33.214 29.762 -0.101 0.000 1.758 127 H HN 0.082 7.901 8.280 -0.769 0.000 0.541 128 D N 2.168 122.814 120.400 0.411 0.000 2.671 128 D HA 0.323 5.187 4.640 0.127 -0.147 0.232 128 D C -1.495 174.877 176.300 0.120 0.000 1.114 128 D CA -0.444 53.692 54.000 0.228 0.000 0.858 128 D CB 4.623 45.541 40.800 0.197 0.000 1.544 128 D HN 0.167 8.718 8.370 0.476 0.104 0.471 129 T N 4.033 118.559 114.554 -0.047 0.000 2.812 129 T HA 0.658 5.285 4.350 0.197 -0.159 0.282 129 T C -1.063 173.593 174.700 -0.074 0.000 0.990 129 T CA -0.220 61.917 62.100 0.063 0.000 0.960 129 T CB 1.748 70.688 68.868 0.121 0.000 0.948 129 T HN 0.584 9.116 8.240 -0.103 -0.354 0.438 130 F N 6.755 126.868 119.950 0.271 0.000 2.480 130 F HA 0.906 5.881 4.527 0.369 -0.227 0.329 130 F C -0.255 175.858 175.800 0.523 0.000 1.091 130 F CA -1.667 56.554 58.000 0.368 0.000 0.972 130 F CB 3.525 42.709 39.000 0.306 0.000 1.150 130 F HN 0.807 9.393 8.300 0.477 0.000 0.467 131 T N -3.776 111.228 114.554 0.750 0.000 2.865 131 T HA 0.557 5.346 4.350 0.732 0.000 0.294 131 T C 0.153 175.115 174.700 0.435 0.000 1.119 131 T CA -1.980 60.473 62.100 0.589 0.000 1.007 131 T CB 3.521 72.581 68.868 0.319 0.000 1.225 131 T HN 0.731 9.381 8.240 0.683 0.000 0.515 132 K N 0.910 121.341 120.400 0.052 0.000 2.417 132 K HA 0.202 4.577 4.320 -0.124 -0.129 0.196 132 K C -1.109 175.554 176.600 0.105 0.000 1.023 132 K CA 0.531 56.744 56.287 -0.123 0.000 1.122 132 K CB 0.427 32.653 32.500 -0.457 0.000 0.850 132 K HN 0.504 8.768 8.250 0.023 0.000 0.521 133 V N 0.105 120.101 119.914 0.136 0.000 2.439 133 V HA 0.019 4.128 4.120 -0.018 0.000 0.282 133 V C -0.088 175.965 176.094 -0.068 0.000 1.039 133 V CA -1.275 61.041 62.300 0.027 0.000 0.913 133 V CB 0.403 32.237 31.823 0.018 0.000 0.983 133 V HN -0.474 7.729 8.190 0.176 0.092 0.460 134 K N 0.000 120.174 120.400 -0.377 0.000 2.780 134 K HA 0.000 3.296 4.320 -1.707 0.000 0.191 134 K CA 0.000 55.765 56.287 -0.870 0.000 0.838 134 K CB 0.000 32.036 32.500 -0.772 0.000 1.064 134 K HN 0.000 8.088 8.250 -0.269 0.000 0.543