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 2zhk_1_A DATA FIRST_RESID 7 DATA SEQUENCE QAPYLSPAVP FSGTIQGGLQ DGLQITVNGT VLSSSGTRFA VNFQTGFSGN DATA SEQUENCE DIAFHFNPRF EDGGYVVCNT RQNGSWGPEE RKTHMPFQKG MPFDLCFLVQ DATA SEQUENCE SSDFKVMVNG ILFVQYFHRV PFHRVDTISV NGSVQLSYIS F 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 7 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 7 Q C 0.000 176.025 176.000 0.041 0.000 1.003 7 Q CA 0.000 55.769 55.803 -0.057 0.000 1.022 7 Q CB 0.000 28.570 28.738 -0.280 0.000 1.108 8 A N 4.216 127.028 122.820 -0.013 0.000 2.483 8 A HA 0.540 4.860 4.320 -0.001 0.000 0.238 8 A C -2.179 175.421 177.584 0.026 0.000 1.070 8 A CA -0.617 51.418 52.037 -0.003 0.000 0.770 8 A CB -0.215 18.755 19.000 -0.050 0.000 1.008 8 A HN 0.517 8.667 8.150 -0.000 0.000 0.497 9 P HA 0.186 4.606 4.420 -0.000 0.000 0.274 9 P C -1.206 176.071 177.300 -0.038 0.000 1.237 9 P CA 0.064 63.205 63.100 0.068 0.000 0.793 9 P CB 0.248 31.956 31.700 0.013 0.000 0.977 10 Y N 0.627 121.036 120.300 0.181 0.000 2.365 10 Y HA 0.282 4.831 4.550 -0.001 0.000 0.340 10 Y C 0.747 176.654 175.900 0.011 0.000 1.016 10 Y CA -0.032 58.121 58.100 0.090 0.000 1.196 10 Y CB 0.212 38.677 38.460 0.008 0.000 1.167 10 Y HN 0.053 8.333 8.280 -0.000 0.000 0.509 11 L N 2.543 123.853 121.223 0.145 0.000 2.317 11 L HA 0.334 4.673 4.340 -0.001 0.000 0.281 11 L C 0.563 177.462 176.870 0.050 0.000 1.024 11 L CA -0.904 53.987 54.840 0.085 0.000 0.810 11 L CB 1.463 43.550 42.059 0.047 0.000 1.240 11 L HN 0.712 8.942 8.230 -0.000 0.000 0.427 12 S N 1.530 117.241 115.700 0.017 0.000 3.410 12 S HA -0.112 4.357 4.470 -0.001 0.000 0.369 12 S C -2.027 172.551 174.600 -0.037 0.000 0.961 12 S CA -0.208 57.980 58.200 -0.020 0.000 1.248 12 S CB -1.722 61.476 63.200 -0.003 0.000 0.914 12 S HN 0.524 8.834 8.310 -0.000 0.000 0.497 13 P HA 0.449 4.869 4.420 -0.000 0.000 0.271 13 P C -0.003 177.265 177.300 -0.055 0.000 1.216 13 P CA -0.213 62.803 63.100 -0.141 0.000 0.771 13 P CB 0.669 31.942 31.700 -0.713 0.000 0.864 14 A N 3.416 126.271 122.820 0.059 0.000 2.407 14 A HA 0.359 4.678 4.320 -0.001 0.000 0.248 14 A C 0.084 177.728 177.584 0.099 0.000 1.082 14 A CA -0.377 51.695 52.037 0.058 0.000 0.785 14 A CB 0.126 19.164 19.000 0.063 0.000 1.020 14 A HN 0.404 8.554 8.150 -0.000 0.000 0.489 15 V N 4.415 124.365 119.914 0.059 0.000 2.427 15 V HA 0.379 4.498 4.120 -0.001 0.000 0.286 15 V C -1.673 174.456 176.094 0.057 0.000 1.034 15 V CA -1.085 61.259 62.300 0.073 0.000 0.893 15 V CB 1.111 32.955 31.823 0.034 0.000 0.982 15 V HN 0.965 9.155 8.190 -0.000 0.000 0.452 16 P HA 0.285 4.705 4.420 -0.000 0.000 0.271 16 P C -1.165 176.210 177.300 0.125 0.000 1.216 16 P CA -0.129 63.021 63.100 0.083 0.000 0.776 16 P CB 0.644 32.373 31.700 0.050 0.000 0.881 17 F N 1.841 121.775 119.950 -0.027 0.000 2.495 17 F HA 0.492 5.018 4.527 -0.002 0.000 0.327 17 F C -0.619 175.158 175.800 -0.039 0.000 1.103 17 F CA -0.243 57.726 58.000 -0.051 0.000 0.949 17 F CB 1.822 40.773 39.000 -0.082 0.000 1.142 17 F HN 0.308 8.608 8.300 -0.000 0.000 0.457 18 S N 2.685 117.942 115.700 -0.739 0.000 2.599 18 S HA 0.964 5.433 4.470 -0.001 0.000 0.294 18 S C -0.448 173.409 174.600 -1.238 0.000 1.094 18 S CA -0.717 56.892 58.200 -0.985 0.000 0.931 18 S CB 1.741 64.835 63.200 -0.177 0.000 1.093 18 S HN 1.074 9.384 8.310 -0.000 0.000 0.488 19 G N 0.274 108.580 108.800 -0.823 0.000 2.718 19 G HA2 0.576 4.536 3.960 -0.001 0.000 0.295 19 G HA3 0.576 4.536 3.960 -0.001 0.000 0.295 19 G C -1.106 173.823 174.900 0.048 0.000 1.421 19 G CA -0.615 44.284 45.100 -0.334 0.000 0.902 19 G HN 0.583 8.873 8.290 -0.000 0.000 0.501 20 T N 1.057 115.770 114.554 0.266 0.000 2.907 20 T HA 0.390 4.740 4.350 -0.001 0.000 0.298 20 T C 0.420 175.236 174.700 0.194 0.000 1.017 20 T CA 0.242 62.438 62.100 0.160 0.000 1.118 20 T CB 0.818 69.791 68.868 0.175 0.000 0.948 20 T HN 0.299 8.539 8.240 -0.000 0.000 0.531 21 I N 3.206 123.824 120.570 0.079 0.000 2.307 21 I HA 0.147 4.316 4.170 -0.001 0.000 0.289 21 I C 0.431 176.495 176.117 -0.089 0.000 1.021 21 I CA -0.903 60.365 61.300 -0.052 0.000 1.224 21 I CB 1.035 39.131 38.000 0.159 0.000 1.376 21 I HN 0.333 8.543 8.210 -0.000 0.000 0.470 22 Q N 4.889 124.564 119.800 -0.207 0.000 2.275 22 Q HA 0.046 4.385 4.340 -0.001 0.000 0.293 22 Q C 1.194 177.163 176.000 -0.051 0.000 1.129 22 Q CA 0.971 56.707 55.803 -0.111 0.000 0.971 22 Q CB 0.345 28.998 28.738 -0.143 0.000 1.098 22 Q HN 0.999 9.269 8.270 -0.000 0.000 0.386 23 G N 2.415 111.209 108.800 -0.010 0.000 2.162 23 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.260 23 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.260 23 G C 0.540 175.465 174.900 0.042 0.000 0.976 23 G CA 0.369 45.478 45.100 0.016 0.000 0.655 23 G HN 1.395 9.685 8.290 -0.000 0.000 0.533 24 G N -1.802 107.029 108.800 0.052 0.000 2.756 24 G HA2 0.198 4.157 3.960 -0.001 0.000 0.678 24 G HA3 0.198 4.157 3.960 -0.001 0.000 0.678 24 G C -0.321 174.673 174.900 0.157 0.000 1.349 24 G CA -0.279 44.881 45.100 0.099 0.000 0.847 24 G HN 1.325 9.615 8.290 -0.000 0.000 0.548 25 L N 1.276 122.631 121.223 0.221 0.000 2.485 25 L HA 0.455 4.794 4.340 -0.001 0.000 0.275 25 L C 1.035 178.103 176.870 0.330 0.000 1.207 25 L CA 0.986 55.991 54.840 0.275 0.000 0.855 25 L CB 0.883 43.138 42.059 0.327 0.000 1.114 25 L HN 0.964 9.194 8.230 -0.000 0.000 0.485 26 Q N 1.896 121.848 119.800 0.253 0.000 2.416 26 Q HA 0.318 4.657 4.340 -0.001 0.000 0.281 26 Q C -1.059 175.009 176.000 0.112 0.000 1.067 26 Q CA -0.998 54.978 55.803 0.287 0.000 0.809 26 Q CB 1.756 30.600 28.738 0.176 0.000 1.418 26 Q HN 0.517 8.787 8.270 -0.000 0.000 0.411 27 D N 0.748 121.238 120.400 0.150 0.000 2.487 27 D HA 0.175 4.814 4.640 -0.001 0.000 0.243 27 D C 1.003 177.291 176.300 -0.019 0.000 1.154 27 D CA 2.538 56.511 54.000 -0.045 0.000 0.876 27 D CB 0.431 41.282 40.800 0.085 0.000 1.161 27 D HN 0.884 9.254 8.370 -0.000 0.000 0.478 28 G N 2.907 111.668 108.800 -0.064 0.000 2.199 28 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 28 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 28 G C 0.398 175.314 174.900 0.025 0.000 0.982 28 G CA 0.319 45.411 45.100 -0.013 0.000 0.632 28 G HN 0.597 8.887 8.290 -0.000 0.000 0.529 29 L N 1.448 122.693 121.223 0.037 0.000 2.499 29 L HA 0.499 4.839 4.340 -0.001 0.000 0.273 29 L C 0.390 177.333 176.870 0.121 0.000 1.195 29 L CA 0.439 55.343 54.840 0.106 0.000 0.882 29 L CB 0.573 42.720 42.059 0.147 0.000 1.133 29 L HN 0.371 8.601 8.230 -0.000 0.000 0.483 30 Q N 5.613 125.510 119.800 0.163 0.000 2.333 30 Q HA 0.489 4.828 4.340 -0.001 0.000 0.268 30 Q C -1.293 174.842 176.000 0.226 0.000 1.007 30 Q CA -0.671 55.234 55.803 0.171 0.000 0.810 30 Q CB 2.227 31.039 28.738 0.122 0.000 1.264 30 Q HN 0.535 8.805 8.270 -0.000 0.000 0.452 31 I N 1.644 122.383 120.570 0.282 0.000 2.378 31 I HA 0.268 4.438 4.170 -0.001 0.000 0.291 31 I C -0.028 176.242 176.117 0.256 0.000 0.992 31 I CA -0.117 61.334 61.300 0.252 0.000 1.154 31 I CB 2.021 40.266 38.000 0.407 0.000 1.315 31 I HN 0.379 8.589 8.210 -0.000 0.000 0.448 32 T N 5.541 120.159 114.554 0.107 0.000 2.829 32 T HA 0.616 4.966 4.350 -0.001 0.000 0.282 32 T C -0.388 174.327 174.700 0.025 0.000 0.990 32 T CA -0.502 61.658 62.100 0.101 0.000 1.028 32 T CB 1.427 70.362 68.868 0.112 0.000 0.951 32 T HN 0.210 8.450 8.240 -0.000 0.000 0.460 33 V N 4.728 124.678 119.914 0.059 0.000 2.407 33 V HA 0.492 4.611 4.120 -0.001 0.000 0.291 33 V C -0.167 175.822 176.094 -0.174 0.000 1.018 33 V CA -0.969 61.332 62.300 0.002 0.000 0.842 33 V CB 1.520 33.499 31.823 0.260 0.000 0.996 33 V HN 0.811 9.001 8.190 -0.000 0.000 0.426 34 N N 3.273 121.626 118.700 -0.579 0.000 2.314 34 N HA 0.801 5.540 4.740 -0.001 0.000 0.294 34 N C -0.256 174.725 175.510 -0.882 0.000 1.029 34 N CA 0.292 52.833 53.050 -0.848 0.000 0.845 34 N CB 2.720 40.456 38.487 -1.252 0.000 1.321 34 N HN 0.858 9.238 8.380 -0.000 0.000 0.481 35 G N 0.704 108.725 108.800 -1.298 0.000 2.494 35 G HA2 0.385 4.344 3.960 -0.001 0.000 0.308 35 G HA3 0.385 4.344 3.960 -0.001 0.000 0.308 35 G C -1.798 172.545 174.900 -0.928 0.000 1.263 35 G CA -0.313 44.184 45.100 -1.004 0.000 0.840 35 G HN 0.396 8.686 8.290 -0.000 0.000 0.479 36 T N 0.175 114.517 114.554 -0.352 0.000 2.921 36 T HA 0.531 4.881 4.350 -0.001 0.000 0.297 36 T C -0.455 174.291 174.700 0.076 0.000 1.013 36 T CA -0.322 61.738 62.100 -0.068 0.000 0.990 36 T CB 1.884 70.694 68.868 -0.098 0.000 1.023 36 T HN 0.548 8.788 8.240 -0.000 0.000 0.447 37 V N 4.640 124.621 119.914 0.112 0.000 2.508 37 V HA 0.237 4.357 4.120 -0.001 0.000 0.281 37 V C 0.557 176.572 176.094 -0.132 0.000 1.041 37 V CA -0.574 61.650 62.300 -0.127 0.000 1.016 37 V CB 0.318 32.063 31.823 -0.129 0.000 0.984 37 V HN 0.701 8.891 8.190 -0.000 0.000 0.478 38 L N 4.448 125.576 121.223 -0.159 0.000 2.461 38 L HA 0.126 4.465 4.340 -0.001 0.000 0.272 38 L C 1.756 178.527 176.870 -0.165 0.000 1.197 38 L CA 0.200 54.962 54.840 -0.130 0.000 0.836 38 L CB 0.977 42.972 42.059 -0.106 0.000 1.105 38 L HN 0.896 9.126 8.230 -0.000 0.000 0.477 39 S N -0.200 115.424 115.700 -0.127 0.000 2.406 39 S HA -0.073 4.396 4.470 -0.001 0.000 0.228 39 S C 0.873 175.392 174.600 -0.135 0.000 1.020 39 S CA 0.608 58.727 58.200 -0.135 0.000 0.965 39 S CB 0.001 63.148 63.200 -0.088 0.000 0.798 39 S HN 0.749 9.059 8.310 -0.000 0.000 0.488 40 S N -0.184 115.453 115.700 -0.104 0.000 2.686 40 S HA 0.445 4.915 4.470 -0.001 0.000 0.223 40 S C -0.354 174.208 174.600 -0.063 0.000 0.885 40 S CA -0.654 57.498 58.200 -0.081 0.000 1.115 40 S CB 0.295 63.460 63.200 -0.058 0.000 1.459 40 S HN 0.175 8.485 8.310 -0.000 0.000 0.444 41 S N 1.504 117.162 115.700 -0.069 0.000 2.558 41 S HA 0.756 5.225 4.470 -0.001 0.000 0.238 41 S C 0.598 175.178 174.600 -0.034 0.000 1.183 41 S CA -0.177 57.996 58.200 -0.046 0.000 1.185 41 S CB 0.461 63.633 63.200 -0.046 0.000 1.003 41 S HN 1.467 9.777 8.310 -0.000 0.000 0.478 42 G N 1.438 110.219 108.800 -0.031 0.000 2.434 42 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.671 42 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.671 42 G C 0.093 174.997 174.900 0.005 0.000 1.280 42 G CA -0.158 44.939 45.100 -0.006 0.000 0.975 42 G HN 0.576 8.866 8.290 -0.000 0.000 0.510 43 T N -2.622 111.964 114.554 0.053 0.000 3.091 43 T HA 0.548 4.897 4.350 -0.001 0.000 0.277 43 T C 0.542 175.365 174.700 0.204 0.000 0.996 43 T CA 0.811 62.993 62.100 0.136 0.000 0.897 43 T CB 0.031 68.958 68.868 0.098 0.000 1.109 43 T HN 1.219 9.459 8.240 -0.000 0.000 0.534 44 R N 0.585 121.161 120.500 0.127 0.000 2.707 44 R HA 0.764 5.104 4.340 -0.001 0.000 0.272 44 R C -1.480 174.886 176.300 0.109 0.000 1.011 44 R CA -1.175 54.942 56.100 0.028 0.000 0.893 44 R CB 1.273 31.495 30.300 -0.131 0.000 1.233 44 R HN 0.241 8.511 8.270 -0.000 0.000 0.464 45 F N -1.003 118.849 119.950 -0.163 0.000 2.675 45 F HA 0.963 5.489 4.527 -0.001 0.000 0.324 45 F C -1.603 174.056 175.800 -0.235 0.000 1.106 45 F CA -1.262 56.637 58.000 -0.169 0.000 0.970 45 F CB 1.922 40.818 39.000 -0.173 0.000 1.385 45 F HN 0.826 9.126 8.300 -0.000 0.000 0.489 46 A N 1.043 123.846 122.820 -0.028 0.000 2.520 46 A HA 0.723 5.042 4.320 -0.001 0.000 0.298 46 A C -2.068 175.506 177.584 -0.018 0.000 1.051 46 A CA -0.798 51.117 52.037 -0.204 0.000 0.690 46 A CB 1.612 20.541 19.000 -0.118 0.000 1.281 46 A HN 0.865 9.015 8.150 -0.000 0.000 0.402 47 V N 2.246 122.111 119.914 -0.081 0.000 2.417 47 V HA 0.401 4.520 4.120 -0.001 0.000 0.291 47 V C -0.264 175.624 176.094 -0.342 0.000 1.024 47 V CA -0.542 61.653 62.300 -0.174 0.000 0.861 47 V CB 1.379 33.117 31.823 -0.141 0.000 0.985 47 V HN 0.918 9.108 8.190 -0.000 0.000 0.436 48 N N 3.746 122.223 118.700 -0.370 0.000 2.314 48 N HA 0.647 5.386 4.740 -0.001 0.000 0.294 48 N C -1.496 173.724 175.510 -0.484 0.000 1.029 48 N CA -0.502 52.393 53.050 -0.260 0.000 0.845 48 N CB 1.946 40.410 38.487 -0.039 0.000 1.321 48 N HN 0.505 8.885 8.380 -0.000 0.000 0.481 49 F N 2.068 121.935 119.950 -0.138 0.000 2.388 49 F HA 0.339 4.866 4.527 -0.001 0.000 0.358 49 F C 0.480 176.302 175.800 0.037 0.000 1.122 49 F CA -0.545 57.434 58.000 -0.035 0.000 1.056 49 F CB 1.112 40.115 39.000 0.006 0.000 1.155 49 F HN 0.373 8.673 8.300 -0.000 0.000 0.461 50 Q N 0.565 120.436 119.800 0.120 0.000 2.605 50 Q HA 0.640 4.980 4.340 -0.001 0.000 0.296 50 Q C -1.436 174.564 176.000 -0.000 0.000 1.056 50 Q CA -1.195 54.636 55.803 0.046 0.000 0.778 50 Q CB 2.085 30.802 28.738 -0.034 0.000 1.497 50 Q HN 0.340 8.610 8.270 -0.000 0.000 0.443 51 T N 1.222 115.758 114.554 -0.031 0.000 2.770 51 T HA 0.601 4.951 4.350 -0.001 0.000 0.297 51 T C 0.193 174.824 174.700 -0.115 0.000 0.997 51 T CA 0.542 62.606 62.100 -0.059 0.000 0.949 51 T CB 0.459 69.306 68.868 -0.034 0.000 0.941 51 T HN 0.997 9.237 8.240 -0.000 0.000 0.457 52 G N 2.534 111.209 108.800 -0.209 0.000 2.645 52 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.239 52 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.239 52 G C -0.019 174.649 174.900 -0.387 0.000 1.331 52 G CA -0.347 44.580 45.100 -0.287 0.000 0.890 52 G HN 0.582 8.872 8.290 -0.000 0.000 0.572 53 F N 1.296 121.219 119.950 -0.044 0.000 2.695 53 F HA 0.253 4.780 4.527 -0.001 0.000 0.303 53 F C 2.656 178.420 175.800 -0.060 0.000 1.091 53 F CA 1.067 59.028 58.000 -0.065 0.000 1.300 53 F CB 0.612 39.569 39.000 -0.072 0.000 1.071 53 F HN 0.586 8.886 8.300 -0.000 0.000 0.578 54 S N -0.192 115.548 115.700 0.067 0.000 2.387 54 S HA 0.119 4.589 4.470 -0.001 0.000 0.226 54 S C 2.096 176.691 174.600 -0.008 0.000 1.026 54 S CA 1.076 59.292 58.200 0.027 0.000 0.972 54 S CB -0.486 62.715 63.200 0.002 0.000 0.814 54 S HN 0.535 8.845 8.310 -0.000 0.000 0.477 55 G N 1.383 110.161 108.800 -0.036 0.000 2.159 55 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.256 55 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.256 55 G C 0.706 175.531 174.900 -0.125 0.000 0.977 55 G CA 0.389 45.453 45.100 -0.060 0.000 0.652 55 G HN 0.515 8.805 8.290 -0.000 0.000 0.531 56 N N 0.772 119.400 118.700 -0.121 0.000 2.416 56 N HA 0.069 4.808 4.740 -0.001 0.000 0.177 56 N C -0.078 175.315 175.510 -0.195 0.000 1.036 56 N CA 0.940 53.889 53.050 -0.168 0.000 0.901 56 N CB 0.213 38.634 38.487 -0.110 0.000 0.976 56 N HN 0.485 8.865 8.380 -0.000 0.000 0.444 57 D N 0.857 121.173 120.400 -0.140 0.000 2.404 57 D HA 0.287 4.926 4.640 -0.001 0.000 0.267 57 D C -0.353 175.907 176.300 -0.067 0.000 1.194 57 D CA -0.138 53.798 54.000 -0.106 0.000 0.910 57 D CB 1.157 41.921 40.800 -0.061 0.000 1.090 57 D HN 0.042 8.412 8.370 -0.000 0.000 0.511 58 I N 1.653 122.164 120.570 -0.097 0.000 2.307 58 I HA 0.217 4.386 4.170 -0.001 0.000 0.289 58 I C 1.518 177.717 176.117 0.138 0.000 1.021 58 I CA -0.429 60.879 61.300 0.013 0.000 1.224 58 I CB 1.836 39.831 38.000 -0.008 0.000 1.376 58 I HN 0.221 8.431 8.210 -0.000 0.000 0.470 59 A N 6.832 129.789 122.820 0.229 0.000 1.930 59 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 59 A C 0.570 178.450 177.584 0.493 0.000 1.175 59 A CA 1.492 53.743 52.037 0.356 0.000 0.627 59 A CB 0.117 19.362 19.000 0.409 0.000 0.815 59 A HN 0.570 8.720 8.150 -0.000 0.000 0.443 60 F N -0.404 119.642 119.950 0.161 0.000 2.730 60 F HA 0.486 5.013 4.527 -0.001 0.000 0.335 60 F C -1.197 174.638 175.800 0.059 0.000 1.212 60 F CA -1.908 56.053 58.000 -0.065 0.000 1.016 60 F CB 0.718 39.349 39.000 -0.615 0.000 1.290 60 F HN 0.220 8.520 8.300 -0.000 0.000 0.495 61 H N 6.486 125.557 119.070 0.001 0.000 2.541 61 H HA 0.484 5.039 4.556 -0.001 0.000 0.316 61 H C -1.884 173.241 175.328 -0.338 0.000 1.043 61 H CA -0.599 55.380 56.048 -0.115 0.000 1.232 61 H CB 0.900 30.785 29.762 0.205 0.000 1.406 61 H HN 0.480 8.760 8.280 -0.000 0.000 0.469 62 F N 5.675 125.098 119.950 -0.877 0.000 2.375 62 F HA 0.340 4.866 4.527 -0.001 0.000 0.361 62 F C -0.997 174.355 175.800 -0.747 0.000 1.117 62 F CA -0.782 56.781 58.000 -0.729 0.000 1.037 62 F CB 0.766 39.404 39.000 -0.604 0.000 1.192 62 F HN 0.662 8.962 8.300 -0.000 0.000 0.452 63 N N 7.588 125.574 118.700 -1.189 0.000 2.727 63 N HA 0.437 5.176 4.740 -0.001 0.000 0.252 63 N C -3.185 171.700 175.510 -1.042 0.000 1.283 63 N CA -2.155 50.246 53.050 -1.081 0.000 0.782 63 N CB 1.325 39.200 38.487 -1.021 0.000 1.199 63 N HN 0.119 8.499 8.380 -0.000 0.000 0.520 64 P HA 0.173 4.593 4.420 -0.000 0.000 0.268 64 P C -0.865 175.866 177.300 -0.949 0.000 1.204 64 P CA 0.196 62.622 63.100 -1.123 0.000 0.768 64 P CB 0.543 31.438 31.700 -1.341 0.000 0.842 65 R N 2.890 122.829 120.500 -0.935 0.000 2.451 65 R HA 0.353 4.693 4.340 -0.001 0.000 0.307 65 R C -0.610 175.284 176.300 -0.677 0.000 0.965 65 R CA -0.559 55.095 56.100 -0.743 0.000 0.865 65 R CB 0.927 30.667 30.300 -0.932 0.000 1.174 65 R HN 0.400 8.670 8.270 -0.000 0.000 0.455 66 F N 2.325 122.153 119.950 -0.203 0.000 2.669 66 F HA 0.198 4.725 4.527 -0.000 0.000 0.353 66 F C 0.277 176.046 175.800 -0.051 0.000 1.192 66 F CA 0.104 58.051 58.000 -0.088 0.000 1.317 66 F CB 0.135 39.110 39.000 -0.043 0.000 1.652 66 F HN 0.293 8.593 8.300 -0.000 0.000 0.608 67 E N -0.021 120.196 120.200 0.029 0.000 2.314 67 E HA 0.221 4.570 4.350 -0.001 0.000 0.272 67 E C -0.685 176.029 176.600 0.189 0.000 0.884 67 E CA -0.920 55.538 56.400 0.097 0.000 0.753 67 E CB 1.567 31.307 29.700 0.068 0.000 1.213 67 E HN 0.179 8.539 8.360 -0.000 0.000 0.432 68 D N 1.550 122.038 120.400 0.148 0.000 2.837 68 D HA -0.235 4.405 4.640 -0.001 0.000 0.230 68 D C 0.875 177.247 176.300 0.120 0.000 1.152 68 D CA 1.619 55.692 54.000 0.123 0.000 0.736 68 D CB -1.342 39.521 40.800 0.106 0.000 1.084 68 D HN 0.988 9.358 8.370 -0.000 0.000 0.429 69 G N -1.068 107.802 108.800 0.116 0.000 2.268 69 G HA2 0.086 4.045 3.960 -0.001 0.000 0.240 69 G HA3 0.086 4.045 3.960 -0.001 0.000 0.240 69 G C 0.675 175.645 174.900 0.117 0.000 1.010 69 G CA 0.726 45.889 45.100 0.106 0.000 0.618 69 G HN 1.671 9.961 8.290 -0.000 0.000 0.516 70 G N -1.187 107.695 108.800 0.138 0.000 3.187 70 G HA2 0.623 4.583 3.960 -0.001 0.000 0.682 70 G HA3 0.623 4.583 3.960 -0.001 0.000 0.682 70 G C -0.637 174.333 174.900 0.117 0.000 1.266 70 G CA 0.127 45.245 45.100 0.030 0.000 0.902 70 G HN 2.139 10.429 8.290 -0.000 0.000 0.589 71 Y N -1.405 118.796 120.300 -0.164 0.000 2.670 71 Y HA 0.813 5.363 4.550 -0.001 0.000 0.334 71 Y C -0.873 174.898 175.900 -0.215 0.000 1.185 71 Y CA -1.714 56.314 58.100 -0.119 0.000 1.053 71 Y CB 1.288 39.703 38.460 -0.075 0.000 1.298 71 Y HN 0.754 9.034 8.280 -0.000 0.000 0.459 72 V N 2.376 122.254 119.914 -0.059 0.000 2.487 72 V HA 0.503 4.622 4.120 -0.001 0.000 0.298 72 V C -0.637 175.364 176.094 -0.154 0.000 1.028 72 V CA -0.921 61.201 62.300 -0.297 0.000 0.860 72 V CB 1.511 33.218 31.823 -0.194 0.000 0.991 72 V HN 0.711 8.901 8.190 -0.000 0.000 0.427 73 V N 3.632 123.363 119.914 -0.305 0.000 2.465 73 V HA 0.339 4.458 4.120 -0.001 0.000 0.279 73 V C 0.033 176.015 176.094 -0.187 0.000 1.045 73 V CA -0.259 61.956 62.300 -0.142 0.000 0.938 73 V CB 1.298 33.042 31.823 -0.131 0.000 0.986 73 V HN 1.000 9.190 8.190 -0.000 0.000 0.467 74 C N 5.270 124.584 119.300 0.022 0.000 2.382 74 C HA 0.779 5.238 4.460 -0.001 0.000 0.327 74 C C 0.269 175.391 174.990 0.219 0.000 1.250 74 C CA -0.520 58.557 59.018 0.099 0.000 1.707 74 C CB 0.906 28.787 27.740 0.235 0.000 2.272 74 C HN 0.970 9.200 8.230 -0.000 0.000 0.506 75 N N 0.054 118.896 118.700 0.237 0.000 3.106 75 N HA 0.569 5.308 4.740 -0.001 0.000 0.253 75 N C -1.612 174.259 175.510 0.601 0.000 1.506 75 N CA -0.204 53.124 53.050 0.465 0.000 0.876 75 N CB 2.179 40.879 38.487 0.355 0.000 1.452 75 N HN 0.597 8.977 8.380 -0.000 0.000 0.542 76 T N 0.722 115.662 114.554 0.645 0.000 2.916 76 T HA 0.459 4.808 4.350 -0.001 0.000 0.298 76 T C -0.830 174.035 174.700 0.275 0.000 1.031 76 T CA -0.523 61.864 62.100 0.479 0.000 0.993 76 T CB 1.519 70.648 68.868 0.436 0.000 1.045 76 T HN 0.383 8.623 8.240 -0.000 0.000 0.454 77 R N 2.281 122.704 120.500 -0.129 0.000 2.338 77 R HA 0.495 4.835 4.340 -0.001 0.000 0.317 77 R C -0.944 175.199 176.300 -0.262 0.000 0.968 77 R CA -0.514 55.241 56.100 -0.575 0.000 0.849 77 R CB 0.920 30.432 30.300 -1.314 0.000 1.128 77 R HN 0.595 8.865 8.270 -0.000 0.000 0.448 78 Q N 2.697 122.381 119.800 -0.193 0.000 2.292 78 Q HA 0.217 4.557 4.340 -0.001 0.000 0.270 78 Q C -0.851 175.083 176.000 -0.109 0.000 1.024 78 Q CA -0.588 55.156 55.803 -0.099 0.000 0.768 78 Q CB 1.829 30.553 28.738 -0.023 0.000 1.250 78 Q HN 0.809 9.079 8.270 -0.000 0.000 0.447 79 N N 1.769 120.410 118.700 -0.097 0.000 2.716 79 N HA -0.300 4.439 4.740 -0.001 0.000 0.250 79 N C 0.532 175.977 175.510 -0.109 0.000 1.033 79 N CA 0.410 53.410 53.050 -0.083 0.000 0.727 79 N CB -0.988 37.469 38.487 -0.050 0.000 0.950 79 N HN 1.085 9.465 8.380 -0.000 0.000 0.541 80 G N -2.036 106.660 108.800 -0.173 0.000 2.184 80 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.264 80 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.264 80 G C -0.009 174.751 174.900 -0.233 0.000 0.975 80 G CA 0.469 45.448 45.100 -0.201 0.000 0.642 80 G HN 0.556 8.846 8.290 -0.000 0.000 0.536 81 S N -0.115 115.456 115.700 -0.215 0.000 2.437 81 S HA 0.574 5.044 4.470 -0.001 0.000 0.305 81 S C -0.237 174.256 174.600 -0.178 0.000 1.109 81 S CA -0.655 57.460 58.200 -0.142 0.000 1.099 81 S CB 0.923 64.103 63.200 -0.035 0.000 1.004 81 S HN 0.357 8.667 8.310 -0.000 0.000 0.475 82 W N 2.035 123.339 121.300 0.008 0.000 2.216 82 W HA 0.473 5.132 4.660 -0.001 0.000 0.326 82 W C 1.129 177.675 176.519 0.046 0.000 1.319 82 W CA -0.219 57.136 57.345 0.018 0.000 1.213 82 W CB 0.464 29.922 29.460 -0.002 0.000 1.171 82 W HN 0.867 9.047 8.180 -0.000 0.000 0.557 83 G N 2.924 111.944 108.800 0.367 0.000 2.509 83 G HA2 0.467 4.426 3.960 -0.001 0.000 0.269 83 G HA3 0.467 4.426 3.960 -0.001 0.000 0.269 83 G C -2.464 172.576 174.900 0.234 0.000 1.416 83 G CA -1.146 44.105 45.100 0.251 0.000 1.052 83 G HN 0.250 8.540 8.290 -0.000 0.000 0.542 84 P HA 0.205 4.625 4.420 -0.000 0.000 0.276 84 P C -0.459 176.947 177.300 0.177 0.000 1.243 84 P CA -0.023 63.164 63.100 0.145 0.000 0.768 84 P CB 1.033 32.797 31.700 0.106 0.000 0.856 85 E N 2.218 122.503 120.200 0.142 0.000 2.392 85 E HA 0.051 4.401 4.350 -0.001 0.000 0.264 85 E C -0.115 176.578 176.600 0.156 0.000 1.024 85 E CA 0.097 56.587 56.400 0.149 0.000 0.903 85 E CB 0.524 30.272 29.700 0.080 0.000 0.963 85 E HN 0.424 8.784 8.360 -0.000 0.000 0.432 86 E N 3.216 123.547 120.200 0.218 0.000 2.055 86 E HA 0.188 4.538 4.350 -0.001 0.000 0.274 86 E C -0.646 176.041 176.600 0.145 0.000 0.949 86 E CA -0.307 56.208 56.400 0.190 0.000 0.775 86 E CB 1.020 30.892 29.700 0.288 0.000 1.097 86 E HN 0.152 8.512 8.360 -0.000 0.000 0.404 87 R N 2.447 123.003 120.500 0.093 0.000 2.368 87 R HA 0.318 4.657 4.340 -0.001 0.000 0.302 87 R C -0.543 175.800 176.300 0.071 0.000 1.002 87 R CA -0.828 55.327 56.100 0.091 0.000 0.929 87 R CB 0.889 31.220 30.300 0.052 0.000 1.073 87 R HN 0.053 8.323 8.270 -0.000 0.000 0.464 88 K N 1.280 121.732 120.400 0.086 0.000 2.293 88 K HA 0.143 4.462 4.320 -0.001 0.000 0.267 88 K C -0.113 176.583 176.600 0.161 0.000 1.010 88 K CA -0.317 56.009 56.287 0.065 0.000 0.875 88 K CB 1.618 34.075 32.500 -0.071 0.000 1.106 88 K HN 0.570 8.820 8.250 -0.000 0.000 0.450 89 T N -0.022 114.616 114.554 0.140 0.000 3.419 89 T HA 0.127 4.476 4.350 -0.001 0.000 0.228 89 T C -0.219 174.614 174.700 0.221 0.000 0.939 89 T CA -0.496 61.690 62.100 0.143 0.000 0.992 89 T CB -0.942 67.959 68.868 0.055 0.000 1.186 89 T HN 0.637 8.877 8.240 -0.000 0.000 0.612 90 H N 0.862 120.023 119.070 0.152 0.000 3.017 90 H HA 0.506 5.061 4.556 -0.001 0.000 0.340 90 H C -1.516 173.913 175.328 0.169 0.000 1.014 90 H CA -1.210 54.943 56.048 0.174 0.000 1.341 90 H CB 1.451 31.355 29.762 0.237 0.000 1.739 90 H HN 0.260 8.540 8.280 -0.000 0.000 0.506 91 M N 8.291 128.049 119.600 0.263 0.000 2.047 91 M HA 0.326 4.806 4.480 -0.001 0.000 0.342 91 M C -2.381 173.887 176.300 -0.053 0.000 1.058 91 M CA -2.421 52.882 55.300 0.004 0.000 0.991 91 M CB 1.154 33.741 32.600 -0.021 0.000 1.474 91 M HN 0.469 8.759 8.290 -0.000 0.000 0.419 92 P HA 0.191 4.611 4.420 -0.000 0.000 0.262 92 P C -0.854 176.106 177.300 -0.567 0.000 1.304 92 P CA 0.283 63.053 63.100 -0.549 0.000 0.859 92 P CB -0.043 31.016 31.700 -1.068 0.000 1.310 93 F N 0.200 120.103 119.950 -0.079 0.000 2.483 93 F HA 0.502 5.028 4.527 -0.001 0.000 0.329 93 F C 0.884 176.836 175.800 0.253 0.000 1.064 93 F CA -0.638 57.424 58.000 0.102 0.000 0.986 93 F CB 1.292 40.415 39.000 0.206 0.000 1.218 93 F HN -0.324 7.976 8.300 -0.000 0.000 0.484 94 Q N 1.064 121.113 119.800 0.415 0.000 2.353 94 Q HA 0.335 4.674 4.340 -0.001 0.000 0.268 94 Q C -1.077 174.975 176.000 0.088 0.000 1.045 94 Q CA -1.180 54.778 55.803 0.258 0.000 0.811 94 Q CB 2.620 31.442 28.738 0.141 0.000 1.305 94 Q HN 0.469 8.739 8.270 -0.000 0.000 0.447 95 K N 0.448 120.744 120.400 -0.174 0.000 2.484 95 K HA 0.126 4.445 4.320 -0.001 0.000 0.280 95 K C 0.844 177.360 176.600 -0.140 0.000 1.013 95 K CA 1.102 57.178 56.287 -0.352 0.000 1.029 95 K CB 0.210 32.422 32.500 -0.478 0.000 0.902 95 K HN 0.969 9.219 8.250 -0.000 0.000 0.481 96 G N 2.030 110.759 108.800 -0.118 0.000 2.175 96 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.244 96 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.244 96 G C 0.004 174.893 174.900 -0.019 0.000 0.982 96 G CA -0.272 44.789 45.100 -0.065 0.000 0.641 96 G HN 0.410 8.700 8.290 -0.000 0.000 0.527 97 M N 1.325 120.940 119.600 0.024 0.000 2.508 97 M HA 0.448 4.927 4.480 -0.001 0.000 0.327 97 M C -2.330 174.035 176.300 0.109 0.000 1.160 97 M CA -2.491 52.847 55.300 0.062 0.000 0.980 97 M CB 1.269 33.922 32.600 0.088 0.000 1.693 97 M HN -0.047 8.243 8.290 -0.000 0.000 0.452 98 P HA 0.397 4.817 4.420 -0.000 0.000 0.274 98 P C -1.283 176.096 177.300 0.131 0.000 1.237 98 P CA -0.026 63.074 63.100 0.000 0.000 0.793 98 P CB 0.348 32.009 31.700 -0.066 0.000 0.977 99 F N -2.017 117.938 119.950 0.008 0.000 2.645 99 F HA 0.635 5.161 4.527 -0.002 0.000 0.310 99 F C -1.446 174.357 175.800 0.004 0.000 1.102 99 F CA -1.061 56.983 58.000 0.074 0.000 0.952 99 F CB 1.779 40.945 39.000 0.276 0.000 1.326 99 F HN 0.132 8.432 8.300 -0.000 0.000 0.456 100 D N 2.951 123.469 120.400 0.197 0.000 2.620 100 D HA 0.412 5.052 4.640 -0.001 0.000 0.252 100 D C -1.784 174.627 176.300 0.185 0.000 1.207 100 D CA -0.124 53.910 54.000 0.056 0.000 0.884 100 D CB 2.167 42.950 40.800 -0.028 0.000 1.262 100 D HN 0.705 9.075 8.370 -0.000 0.000 0.552 101 L N 3.135 124.493 121.223 0.225 0.000 2.329 101 L HA 0.479 4.818 4.340 -0.001 0.000 0.279 101 L C -0.544 176.298 176.870 -0.047 0.000 1.014 101 L CA -0.721 54.167 54.840 0.081 0.000 0.814 101 L CB 2.072 44.246 42.059 0.193 0.000 1.257 101 L HN 0.445 8.675 8.230 -0.000 0.000 0.424 102 C N 3.943 123.110 119.300 -0.222 0.000 2.396 102 C HA 0.584 5.043 4.460 -0.001 0.000 0.321 102 C C -0.662 174.155 174.990 -0.288 0.000 1.233 102 C CA -0.720 58.230 59.018 -0.112 0.000 1.440 102 C CB 0.357 28.078 27.740 -0.031 0.000 2.110 102 C HN 0.592 8.822 8.230 -0.000 0.000 0.473 103 F N 6.039 126.044 119.950 0.093 0.000 2.388 103 F HA 0.553 5.079 4.527 -0.001 0.000 0.358 103 F C 0.006 175.862 175.800 0.094 0.000 1.122 103 F CA -0.660 57.407 58.000 0.112 0.000 1.056 103 F CB 1.331 40.422 39.000 0.151 0.000 1.155 103 F HN 0.388 8.688 8.300 -0.000 0.000 0.461 104 L N 5.440 126.772 121.223 0.182 0.000 2.272 104 L HA 0.613 4.952 4.340 -0.001 0.000 0.289 104 L C -0.901 175.967 176.870 -0.003 0.000 1.032 104 L CA -0.584 54.301 54.840 0.074 0.000 0.810 104 L CB 1.157 43.221 42.059 0.010 0.000 1.205 104 L HN 0.332 8.562 8.230 -0.000 0.000 0.422 105 V N 6.158 126.011 119.914 -0.101 0.000 2.432 105 V HA 0.410 4.530 4.120 -0.001 0.000 0.271 105 V C 0.273 176.130 176.094 -0.396 0.000 1.046 105 V CA -0.385 61.680 62.300 -0.392 0.000 0.945 105 V CB 0.794 32.363 31.823 -0.424 0.000 0.992 105 V HN 0.829 9.019 8.190 -0.000 0.000 0.471 106 Q N 2.169 121.692 119.800 -0.463 0.000 2.418 106 Q HA 0.363 4.702 4.340 -0.001 0.000 0.276 106 Q C 1.191 176.993 176.000 -0.330 0.000 1.081 106 Q CA -0.231 55.375 55.803 -0.328 0.000 0.864 106 Q CB 1.936 30.541 28.738 -0.223 0.000 1.384 106 Q HN 0.792 9.062 8.270 -0.000 0.000 0.467 107 S N -0.566 115.079 115.700 -0.092 0.000 2.382 107 S HA -0.168 4.301 4.470 -0.001 0.000 0.228 107 S C 1.711 176.513 174.600 0.337 0.000 1.027 107 S CA 1.757 60.071 58.200 0.189 0.000 0.991 107 S CB -0.268 63.050 63.200 0.197 0.000 0.823 107 S HN 0.639 8.949 8.310 -0.000 0.000 0.469 108 S N 1.443 117.223 115.700 0.133 0.000 2.492 108 S HA 0.190 4.659 4.470 -0.001 0.000 0.218 108 S C 0.207 174.633 174.600 -0.291 0.000 1.016 108 S CA -0.015 58.273 58.200 0.147 0.000 0.916 108 S CB -0.283 63.033 63.200 0.193 0.000 0.791 108 S HN 0.790 9.100 8.310 -0.000 0.000 0.513 109 D N -0.522 119.433 120.400 -0.741 0.000 2.622 109 D HA 0.339 4.979 4.640 -0.001 0.000 0.255 109 D C -1.571 174.173 176.300 -0.928 0.000 1.246 109 D CA -0.700 52.649 54.000 -1.084 0.000 0.795 109 D CB 0.356 40.493 40.800 -1.105 0.000 1.369 109 D HN 0.100 8.470 8.370 -0.000 0.000 0.425 110 F N 0.318 119.889 119.950 -0.631 0.000 2.404 110 F HA 0.407 4.933 4.527 -0.001 0.000 0.339 110 F C 0.966 176.601 175.800 -0.276 0.000 1.105 110 F CA -0.308 57.495 58.000 -0.329 0.000 1.087 110 F CB 1.618 40.438 39.000 -0.301 0.000 1.143 110 F HN -0.098 8.202 8.300 -0.000 0.000 0.491 111 K N 2.102 122.510 120.400 0.014 0.000 2.207 111 K HA 0.724 5.043 4.320 -0.001 0.000 0.255 111 K C -1.426 175.191 176.600 0.029 0.000 0.941 111 K CA -0.916 55.364 56.287 -0.013 0.000 0.825 111 K CB 2.462 34.922 32.500 -0.067 0.000 1.119 111 K HN 0.303 8.553 8.250 -0.000 0.000 0.430 112 V N 3.607 123.510 119.914 -0.019 0.000 2.407 112 V HA 0.345 4.464 4.120 -0.001 0.000 0.291 112 V C -0.792 175.236 176.094 -0.111 0.000 1.018 112 V CA -0.845 61.335 62.300 -0.200 0.000 0.842 112 V CB 1.368 33.032 31.823 -0.265 0.000 0.996 112 V HN 0.707 8.897 8.190 -0.000 0.000 0.426 113 M N 5.290 124.783 119.600 -0.180 0.000 2.180 113 M HA 0.537 5.017 4.480 -0.001 0.000 0.350 113 M C -0.625 175.593 176.300 -0.137 0.000 1.125 113 M CA -0.197 55.047 55.300 -0.093 0.000 1.031 113 M CB 1.707 34.265 32.600 -0.069 0.000 1.623 113 M HN 0.393 8.683 8.290 -0.000 0.000 0.451 114 V N 5.296 125.144 119.914 -0.110 0.000 2.378 114 V HA 0.379 4.498 4.120 -0.001 0.000 0.288 114 V C -0.058 175.968 176.094 -0.114 0.000 1.016 114 V CA -0.807 61.386 62.300 -0.177 0.000 0.840 114 V CB 1.234 32.776 31.823 -0.468 0.000 0.994 114 V HN 0.942 9.132 8.190 -0.000 0.000 0.431 115 N N 4.424 123.098 118.700 -0.044 0.000 2.735 115 N HA -0.208 4.531 4.740 -0.001 0.000 0.248 115 N C 1.062 176.563 175.510 -0.015 0.000 1.083 115 N CA 1.496 54.537 53.050 -0.015 0.000 0.703 115 N CB -1.149 37.325 38.487 -0.022 0.000 1.005 115 N HN 1.446 9.826 8.380 -0.000 0.000 0.550 116 G N -2.055 106.736 108.800 -0.015 0.000 2.238 116 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 116 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 116 G C -0.114 174.783 174.900 -0.005 0.000 0.996 116 G CA 0.199 45.296 45.100 -0.005 0.000 0.632 116 G HN 0.349 8.639 8.290 -0.000 0.000 0.503 117 I N 1.253 121.818 120.570 -0.008 0.000 2.433 117 I HA 0.511 4.680 4.170 -0.001 0.000 0.292 117 I C 0.541 176.673 176.117 0.027 0.000 1.001 117 I CA -0.866 60.441 61.300 0.012 0.000 1.119 117 I CB 1.873 39.887 38.000 0.022 0.000 1.289 117 I HN 0.222 8.432 8.210 -0.000 0.000 0.438 118 L N 5.587 126.829 121.223 0.032 0.000 2.559 118 L HA -0.034 4.305 4.340 -0.001 0.000 0.274 118 L C 0.258 177.193 176.870 0.109 0.000 1.205 118 L CA 0.640 55.505 54.840 0.042 0.000 0.907 118 L CB 0.284 42.352 42.059 0.013 0.000 1.153 118 L HN 0.750 8.980 8.230 -0.000 0.000 0.490 119 F N 5.547 125.467 119.950 -0.050 0.000 2.557 119 F HA 0.378 4.904 4.527 -0.001 0.000 0.278 119 F C -0.139 175.666 175.800 0.009 0.000 1.051 119 F CA 0.187 58.157 58.000 -0.050 0.000 1.357 119 F CB 0.621 39.551 39.000 -0.116 0.000 1.104 119 F HN 0.210 8.510 8.300 -0.000 0.000 0.654 120 V N 1.112 120.932 119.914 -0.157 0.000 3.120 120 V HA 0.373 4.492 4.120 -0.001 0.000 0.303 120 V C -1.743 174.320 176.094 -0.051 0.000 1.238 120 V CA -0.544 61.620 62.300 -0.227 0.000 1.008 120 V CB 2.125 33.729 31.823 -0.366 0.000 1.064 120 V HN 0.256 8.446 8.190 -0.000 0.000 0.434 121 Q N 3.276 123.038 119.800 -0.064 0.000 2.340 121 Q HA 0.541 4.880 4.340 -0.001 0.000 0.268 121 Q C -2.349 173.598 176.000 -0.088 0.000 1.031 121 Q CA -0.626 55.099 55.803 -0.130 0.000 0.804 121 Q CB 2.069 30.685 28.738 -0.203 0.000 1.286 121 Q HN 0.792 9.062 8.270 -0.000 0.000 0.448 122 Y N 4.096 124.184 120.300 -0.354 0.000 2.326 122 Y HA 0.428 4.977 4.550 -0.001 0.000 0.329 122 Y C -1.704 173.961 175.900 -0.392 0.000 0.973 122 Y CA -0.900 57.007 58.100 -0.321 0.000 1.162 122 Y CB 0.859 38.973 38.460 -0.576 0.000 1.147 122 Y HN 0.630 8.910 8.280 -0.000 0.000 0.456 123 F N 5.057 124.724 119.950 -0.473 0.000 2.443 123 F HA 0.185 4.712 4.527 -0.001 0.000 0.353 123 F C 0.798 176.387 175.800 -0.352 0.000 1.101 123 F CA -0.117 57.652 58.000 -0.386 0.000 1.226 123 F CB 0.411 39.255 39.000 -0.259 0.000 1.140 123 F HN 0.445 8.745 8.300 -0.000 0.000 0.557 124 H N 4.144 123.275 119.070 0.102 0.000 3.094 124 H HA 0.055 4.610 4.556 -0.001 0.000 0.320 124 H C 0.858 176.269 175.328 0.137 0.000 1.000 124 H CA 0.585 56.739 56.048 0.177 0.000 1.413 124 H CB 0.573 30.458 29.762 0.205 0.000 1.405 124 H HN 0.637 8.917 8.280 -0.000 0.000 0.586 125 R N 1.807 122.484 120.500 0.294 0.000 2.282 125 R HA 0.135 4.474 4.340 -0.001 0.000 0.195 125 R C 0.305 176.715 176.300 0.182 0.000 0.909 125 R CA 0.291 56.508 56.100 0.195 0.000 1.039 125 R CB 0.772 31.185 30.300 0.188 0.000 1.015 125 R HN 0.395 8.665 8.270 -0.000 0.000 0.513 126 V N -1.268 118.777 119.914 0.218 0.000 3.007 126 V HA 0.533 4.652 4.120 -0.001 0.000 0.311 126 V C -2.825 173.321 176.094 0.087 0.000 1.120 126 V CA -3.120 59.258 62.300 0.130 0.000 0.980 126 V CB 2.006 33.899 31.823 0.116 0.000 1.033 126 V HN -0.143 8.047 8.190 -0.000 0.000 0.429 127 P HA 0.180 4.600 4.420 -0.000 0.000 0.263 127 P C 0.284 177.402 177.300 -0.304 0.000 1.195 127 P CA 0.039 63.029 63.100 -0.183 0.000 0.762 127 P CB 0.135 31.685 31.700 -0.249 0.000 0.799 128 F N 2.319 122.083 119.950 -0.309 0.000 2.416 128 F HA -0.027 4.499 4.527 -0.001 0.000 0.296 128 F C 1.934 177.626 175.800 -0.179 0.000 1.099 128 F CA 0.690 58.508 58.000 -0.304 0.000 1.427 128 F CB -1.722 36.854 39.000 -0.706 0.000 1.079 128 F HN 0.400 8.700 8.300 -0.000 0.000 0.536 129 H N -0.683 117.996 119.070 -0.651 0.000 2.545 129 H HA 0.181 4.737 4.556 -0.001 0.000 0.282 129 H C 1.642 176.909 175.328 -0.101 0.000 1.020 129 H CA 0.992 56.840 56.048 -0.334 0.000 1.243 129 H CB -0.551 28.921 29.762 -0.484 0.000 1.377 129 H HN 0.254 8.534 8.280 -0.000 0.000 0.581 130 R N 1.108 121.352 120.500 -0.426 0.000 2.246 130 R HA 0.105 4.444 4.340 -0.001 0.000 0.199 130 R C 0.402 176.667 176.300 -0.058 0.000 0.984 130 R CA 0.547 56.513 56.100 -0.224 0.000 1.015 130 R CB 0.336 30.456 30.300 -0.300 0.000 0.930 130 R HN 0.332 8.602 8.270 -0.000 0.000 0.475 131 V N 3.357 123.284 119.914 0.023 0.000 2.555 131 V HA 0.059 4.178 4.120 -0.001 0.000 0.286 131 V C -0.234 175.935 176.094 0.124 0.000 1.044 131 V CA 0.045 62.409 62.300 0.107 0.000 1.026 131 V CB 1.211 33.168 31.823 0.224 0.000 0.981 131 V HN 0.326 8.516 8.190 -0.000 0.000 0.480 132 D N 2.338 122.776 120.400 0.064 0.000 2.594 132 D HA 0.214 4.853 4.640 -0.001 0.000 0.256 132 D C -0.069 176.218 176.300 -0.021 0.000 1.393 132 D CA -0.043 53.978 54.000 0.034 0.000 0.797 132 D CB 0.305 41.094 40.800 -0.018 0.000 1.110 132 D HN 0.557 8.927 8.370 -0.000 0.000 0.495 133 T N 0.845 115.389 114.554 -0.017 0.000 3.032 133 T HA 0.437 4.786 4.350 -0.001 0.000 0.312 133 T C -0.961 173.692 174.700 -0.078 0.000 1.078 133 T CA -0.612 61.399 62.100 -0.149 0.000 1.028 133 T CB 2.054 70.666 68.868 -0.427 0.000 1.091 133 T HN 0.193 8.433 8.240 -0.000 0.000 0.457 134 I N 2.202 122.727 120.570 -0.074 0.000 2.441 134 I HA 0.698 4.867 4.170 -0.001 0.000 0.295 134 I C -0.663 175.348 176.117 -0.177 0.000 0.994 134 I CA -0.129 61.037 61.300 -0.222 0.000 1.144 134 I CB 1.100 38.994 38.000 -0.177 0.000 1.314 134 I HN 0.565 8.775 8.210 -0.000 0.000 0.445 135 S N 5.562 121.136 115.700 -0.210 0.000 2.542 135 S HA 0.716 5.186 4.470 -0.001 0.000 0.293 135 S C -1.059 173.522 174.600 -0.032 0.000 1.089 135 S CA -0.602 57.541 58.200 -0.095 0.000 0.961 135 S CB 2.203 65.347 63.200 -0.092 0.000 1.062 135 S HN 0.418 8.728 8.310 -0.000 0.000 0.483 136 V N 3.116 123.089 119.914 0.099 0.000 2.709 136 V HA 0.644 4.764 4.120 -0.001 0.000 0.308 136 V C -0.809 175.348 176.094 0.106 0.000 1.062 136 V CA -0.925 61.433 62.300 0.096 0.000 0.901 136 V CB 1.767 33.659 31.823 0.114 0.000 1.003 136 V HN 1.052 9.242 8.190 -0.000 0.000 0.425 137 N N 2.229 120.988 118.700 0.098 0.000 2.647 137 N HA 0.919 5.658 4.740 -0.001 0.000 0.266 137 N C -0.101 175.472 175.510 0.106 0.000 1.373 137 N CA 0.067 53.170 53.050 0.088 0.000 0.807 137 N CB 2.193 40.724 38.487 0.073 0.000 1.513 137 N HN 1.227 9.607 8.380 -0.000 0.000 0.505 138 G N -0.569 108.278 108.800 0.079 0.000 2.482 138 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.214 138 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.214 138 G C -0.649 174.288 174.900 0.061 0.000 1.271 138 G CA -0.225 44.926 45.100 0.085 0.000 0.944 138 G HN 0.864 9.154 8.290 -0.000 0.000 0.568 139 S N 0.931 116.678 115.700 0.079 0.000 3.544 139 S HA 0.435 4.905 4.470 -0.001 0.000 0.227 139 S C 0.432 174.966 174.600 -0.109 0.000 1.387 139 S CA 0.508 58.709 58.200 0.002 0.000 1.182 139 S CB -1.013 62.202 63.200 0.025 0.000 1.243 139 S HN 1.742 10.052 8.310 -0.000 0.000 0.467 140 V N -0.923 118.910 119.914 -0.136 0.000 3.078 140 V HA 0.632 4.752 4.120 -0.001 0.000 0.311 140 V C -0.816 175.210 176.094 -0.113 0.000 1.138 140 V CA -1.172 60.997 62.300 -0.220 0.000 1.007 140 V CB 2.023 33.593 31.823 -0.422 0.000 1.045 140 V HN 0.282 8.472 8.190 -0.000 0.000 0.432 141 Q N 1.596 121.334 119.800 -0.104 0.000 2.309 141 Q HA 0.748 5.087 4.340 -0.001 0.000 0.264 141 Q C -1.818 174.106 176.000 -0.127 0.000 1.008 141 Q CA -0.850 54.897 55.803 -0.094 0.000 0.853 141 Q CB 2.227 30.913 28.738 -0.088 0.000 1.314 141 Q HN 0.867 9.137 8.270 -0.000 0.000 0.448 142 L N 2.198 123.342 121.223 -0.131 0.000 2.329 142 L HA 0.378 4.718 4.340 -0.001 0.000 0.279 142 L C 0.485 177.251 176.870 -0.173 0.000 1.014 142 L CA -0.355 54.374 54.840 -0.185 0.000 0.814 142 L CB 1.967 43.911 42.059 -0.191 0.000 1.257 142 L HN 0.752 8.982 8.230 -0.000 0.000 0.424 143 S N 1.199 116.766 115.700 -0.220 0.000 2.398 143 S HA 0.136 4.605 4.470 -0.001 0.000 0.220 143 S C -0.502 174.102 174.600 0.008 0.000 1.046 143 S CA 0.542 58.678 58.200 -0.108 0.000 0.953 143 S CB 0.297 63.428 63.200 -0.115 0.000 0.856 143 S HN 0.618 8.928 8.310 -0.000 0.000 0.506 144 Y N -1.051 119.159 120.300 -0.150 0.000 2.624 144 Y HA 0.730 5.279 4.550 -0.001 0.000 0.334 144 Y C -1.747 174.077 175.900 -0.127 0.000 1.155 144 Y CA -1.593 56.437 58.100 -0.117 0.000 1.046 144 Y CB 0.633 39.045 38.460 -0.080 0.000 1.316 144 Y HN -0.092 8.188 8.280 -0.000 0.000 0.457 145 I N 3.276 123.912 120.570 0.110 0.000 2.418 145 I HA 0.599 4.769 4.170 -0.001 0.000 0.287 145 I C -0.616 175.491 176.117 -0.016 0.000 1.008 145 I CA -0.606 60.688 61.300 -0.011 0.000 1.104 145 I CB 2.074 40.044 38.000 -0.050 0.000 1.264 145 I HN 0.824 9.034 8.210 -0.000 0.000 0.438 146 S N 5.157 120.798 115.700 -0.099 0.000 2.634 146 S HA 0.814 5.283 4.470 -0.001 0.000 0.296 146 S C -0.899 173.475 174.600 -0.377 0.000 1.104 146 S CA -0.605 57.513 58.200 -0.137 0.000 0.920 146 S CB 1.984 65.256 63.200 0.120 0.000 1.111 146 S HN 0.326 8.636 8.310 -0.000 0.000 0.493 147 F N 0.000 120.048 119.950 0.164 0.000 2.286 147 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 147 F CA 0.000 58.093 58.000 0.155 0.000 1.383 147 F CB 0.000 39.086 39.000 0.143 0.000 1.145 147 F HN 0.000 8.300 8.300 -0.000 0.000 0.574