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 2wqf_1_A DATA FIRST_RESID 2 DATA SEQUENCE SFIKSLENRR TIYALGRNVQ DEEKVIETIK EAVRFSPTAF NSQTGRLLIL DATA SEQUENCE TGDAQDKLWD EIVAPELKAA MEAXXXXXXX XXXXXAKLDG FKAAFGTILF DATA SEQUENCE FEDQAVVKNL QEQFALYADN FPVWSEQGSG IISVNVWTAL AELGLGANLQ DATA SEQUENCE HYNPLIDEAV AKEWNLPESW KLRGQLVFGS IEAPAGEKTF MDDADRFIVA DATA SEQUENCE K 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 2 S HA 0.000 4.502 4.470 0.053 0.000 0.327 2 S C 0.000 174.638 174.600 0.063 0.000 1.055 2 S CA 0.000 58.224 58.200 0.040 0.000 1.107 2 S CB 0.000 63.216 63.200 0.027 0.000 0.593 3 F N 1.862 121.794 119.950 -0.031 0.000 2.134 3 F HA -0.238 4.272 4.527 -0.028 0.000 0.299 3 F C 0.795 176.574 175.800 -0.035 0.000 1.097 3 F CA 3.122 61.103 58.000 -0.031 0.000 1.264 3 F CB 0.045 39.025 39.000 -0.033 0.000 1.001 3 F HN 0.317 8.765 8.300 0.248 0.000 0.479 4 I N -1.584 118.930 120.570 -0.093 0.000 2.226 4 I HA -0.468 3.526 4.170 -0.293 0.000 0.245 4 I C 2.256 178.253 176.117 -0.199 0.000 1.100 4 I CA 2.606 63.796 61.300 -0.183 0.000 1.374 4 I CB -1.190 36.775 38.000 -0.059 0.000 1.057 4 I HN -0.175 8.074 8.210 0.065 0.000 0.413 5 K N -0.021 120.303 120.400 -0.128 0.000 2.103 5 K HA -0.247 4.013 4.320 -0.100 0.000 0.207 5 K C 3.007 179.522 176.600 -0.141 0.000 1.048 5 K CA 2.594 58.816 56.287 -0.108 0.000 0.930 5 K CB -0.846 31.617 32.500 -0.062 0.000 0.716 5 K HN -0.305 7.894 8.250 -0.086 0.000 0.444 6 S N 0.421 116.011 115.700 -0.184 0.000 2.368 6 S HA -0.209 4.336 4.470 -0.128 -0.152 0.225 6 S C 2.202 176.643 174.600 -0.264 0.000 1.030 6 S CA 3.300 61.384 58.200 -0.194 0.000 0.999 6 S CB -0.404 62.687 63.200 -0.182 0.000 0.844 6 S HN -0.597 7.516 8.310 -0.186 0.085 0.459 7 L N 0.521 121.502 121.223 -0.404 0.000 2.017 7 L HA -0.336 3.791 4.340 -0.355 0.000 0.208 7 L C 2.667 179.398 176.870 -0.232 0.000 1.073 7 L CA 2.948 57.570 54.840 -0.363 0.000 0.745 7 L CB -0.373 41.433 42.059 -0.421 0.000 0.894 7 L HN -0.328 7.595 8.230 -0.512 0.000 0.432 8 E N -1.120 118.971 120.200 -0.182 0.000 2.153 8 E HA -0.397 3.900 4.350 -0.089 0.000 0.194 8 E C 1.171 177.712 176.600 -0.098 0.000 0.988 8 E CA 2.737 59.070 56.400 -0.111 0.000 0.811 8 E CB -0.006 29.641 29.700 -0.088 0.000 0.746 8 E HN -0.150 8.093 8.360 -0.194 0.000 0.466 9 N N -4.055 114.579 118.700 -0.110 0.000 2.396 9 N HA -0.099 4.605 4.740 -0.060 0.000 0.180 9 N C -0.215 175.237 175.510 -0.097 0.000 1.028 9 N CA 1.058 54.059 53.050 -0.082 0.000 0.893 9 N CB 0.423 38.871 38.487 -0.065 0.000 0.967 9 N HN -0.593 7.592 8.380 -0.128 0.118 0.440 10 R N 2.078 122.479 120.500 -0.165 0.000 2.370 10 R HA -0.242 3.995 4.340 -0.172 0.000 0.309 10 R C -1.525 174.595 176.300 -0.301 0.000 1.059 10 R CA 0.869 56.816 56.100 -0.255 0.000 0.981 10 R CB -0.284 29.772 30.300 -0.407 0.000 0.972 10 R HN -0.777 7.381 8.270 -0.185 0.000 0.437 11 R N 2.788 123.166 120.500 -0.204 0.000 2.799 11 R HA 0.137 4.342 4.340 -0.225 0.000 0.270 11 R C -1.078 175.259 176.300 0.061 0.000 1.010 11 R CA -2.631 53.388 56.100 -0.136 0.000 0.916 11 R CB 3.021 33.290 30.300 -0.053 0.000 1.228 11 R HN 0.064 8.274 8.270 -0.101 0.000 0.469 12 T N 3.746 118.348 114.554 0.080 0.000 2.769 12 T HA -0.008 4.739 4.350 0.373 -0.173 0.293 12 T C -0.934 173.701 174.700 -0.109 0.000 0.931 12 T CA 1.706 63.873 62.100 0.112 0.000 1.139 12 T CB 0.095 68.951 68.868 -0.020 0.000 0.881 12 T HN 0.246 8.484 8.240 -0.004 0.000 0.532 13 I N 5.998 126.513 120.570 -0.092 0.000 2.382 13 I HA 0.113 4.238 4.170 -0.074 0.000 0.286 13 I C -1.662 174.377 176.117 -0.130 0.000 1.002 13 I CA -2.492 58.760 61.300 -0.080 0.000 1.135 13 I CB 0.633 38.660 38.000 0.045 0.000 1.288 13 I HN -0.142 8.070 8.210 0.004 0.000 0.448 14 Y N 4.338 124.694 120.300 0.093 0.000 2.448 14 Y HA -0.170 4.441 4.550 0.101 0.000 0.289 14 Y C 0.672 176.574 175.900 0.003 0.000 1.114 14 Y CA 1.345 59.481 58.100 0.060 0.000 1.235 14 Y CB 0.676 39.152 38.460 0.028 0.000 1.045 14 Y HN 0.098 8.402 8.280 0.039 0.000 0.554 15 A N 0.343 123.246 122.820 0.138 0.000 2.506 15 A HA 0.218 4.562 4.320 0.041 0.000 0.320 15 A C -2.176 175.437 177.584 0.047 0.000 1.424 15 A CA -0.537 51.539 52.037 0.064 0.000 1.044 15 A CB -0.991 18.040 19.000 0.051 0.000 1.140 15 A HN -0.100 8.130 8.150 0.133 0.000 0.538 16 L N 3.311 124.553 121.223 0.032 0.000 2.354 16 L HA 1.001 5.589 4.340 0.039 -0.225 0.269 16 L C -0.271 176.605 176.870 0.011 0.000 1.005 16 L CA -1.561 53.297 54.840 0.030 0.000 0.819 16 L CB 4.079 46.161 42.059 0.038 0.000 1.311 16 L HN -0.325 7.916 8.230 0.017 0.000 0.423 17 G N -0.071 108.742 108.800 0.021 0.000 3.222 17 G HA2 0.503 4.477 3.960 0.024 0.000 0.263 17 G HA3 0.503 4.603 3.960 0.016 -0.131 0.263 17 G C -1.610 173.325 174.900 0.060 0.000 1.312 17 G CA -0.319 44.796 45.100 0.026 0.000 0.934 17 G HN 0.117 8.424 8.290 0.028 0.000 0.577 18 R N -2.966 117.585 120.500 0.084 0.000 2.613 18 R HA 0.084 4.596 4.340 0.287 0.000 0.361 18 R C -0.664 175.698 176.300 0.104 0.000 1.072 18 R CA -0.758 55.456 56.100 0.190 0.000 1.089 18 R CB 0.413 30.841 30.300 0.212 0.000 1.343 18 R HN 0.299 8.607 8.270 0.064 0.000 0.571 19 N N 2.461 121.174 118.700 0.022 0.000 3.178 19 N HA -0.050 4.692 4.740 0.004 0.000 0.300 19 N C -1.239 174.222 175.510 -0.081 0.000 1.242 19 N CA 0.057 53.100 53.050 -0.012 0.000 1.192 19 N CB -0.980 37.506 38.487 -0.001 0.000 1.463 19 N HN -0.564 7.829 8.380 0.022 0.000 0.539 20 V N 2.658 122.465 119.914 -0.179 0.000 2.357 20 V HA 0.103 4.081 4.120 -0.236 0.000 0.284 20 V C 0.191 176.159 176.094 -0.210 0.000 1.018 20 V CA -0.814 61.287 62.300 -0.331 0.000 0.841 20 V CB 1.623 32.881 31.823 -0.942 0.000 0.991 20 V HN -0.404 7.651 8.190 -0.150 0.044 0.437 21 Q N 4.934 124.660 119.800 -0.123 0.000 2.137 21 Q HA -0.089 4.227 4.340 -0.040 0.000 0.198 21 Q C 0.007 175.984 176.000 -0.038 0.000 0.960 21 Q CA 1.343 57.112 55.803 -0.056 0.000 0.847 21 Q CB 0.554 29.273 28.738 -0.032 0.000 0.915 21 Q HN 0.245 8.446 8.270 -0.115 0.000 0.448 22 D N -0.741 119.628 120.400 -0.051 0.000 2.364 22 D HA 0.271 4.916 4.640 0.007 0.000 0.251 22 D C -0.668 175.631 176.300 -0.002 0.000 1.282 22 D CA -0.683 53.311 54.000 -0.010 0.000 0.927 22 D CB -0.216 40.584 40.800 -0.001 0.000 1.267 22 D HN -0.260 8.062 8.370 -0.079 0.000 0.531 23 E N 4.008 124.228 120.200 0.033 0.000 2.110 23 E HA -0.429 3.968 4.350 0.079 0.000 0.193 23 E C 1.253 177.919 176.600 0.110 0.000 0.988 23 E CA 2.929 59.397 56.400 0.112 0.000 0.804 23 E CB -0.174 29.696 29.700 0.283 0.000 0.745 23 E HN 0.552 8.941 8.360 0.048 0.000 0.458 24 E N -0.043 120.205 120.200 0.081 0.000 2.077 24 E HA -0.327 4.065 4.350 0.071 0.000 0.193 24 E C 1.870 178.498 176.600 0.046 0.000 0.989 24 E CA 2.791 59.229 56.400 0.063 0.000 0.800 24 E CB -0.735 28.995 29.700 0.050 0.000 0.746 24 E HN -0.059 8.410 8.360 0.074 -0.065 0.452 25 K N -0.126 120.296 120.400 0.036 0.000 2.097 25 K HA -0.243 4.093 4.320 0.027 0.000 0.205 25 K C 1.970 178.582 176.600 0.021 0.000 1.050 25 K CA 2.817 59.119 56.287 0.026 0.000 0.938 25 K CB 0.002 32.513 32.500 0.018 0.000 0.718 25 K HN -0.744 7.765 8.250 0.034 -0.239 0.442 26 V N 0.548 120.477 119.914 0.024 0.000 2.287 26 V HA -0.479 3.634 4.120 -0.011 0.000 0.248 26 V C 2.142 178.232 176.094 -0.007 0.000 1.053 26 V CA 4.591 66.896 62.300 0.008 0.000 1.027 26 V CB -0.289 31.564 31.823 0.051 0.000 0.646 26 V HN -0.516 7.693 8.190 0.030 0.000 0.447 27 I N -1.308 119.281 120.570 0.031 0.000 2.226 27 I HA -0.506 3.661 4.170 -0.004 0.000 0.245 27 I C 2.106 178.222 176.117 -0.001 0.000 1.100 27 I CA 2.438 63.748 61.300 0.017 0.000 1.374 27 I CB -1.437 36.591 38.000 0.047 0.000 1.057 27 I HN -0.297 7.949 8.210 0.061 0.000 0.413 28 E N 0.251 120.458 120.200 0.012 0.000 2.085 28 E HA -0.411 3.943 4.350 0.007 0.000 0.194 28 E C 2.290 178.897 176.600 0.012 0.000 0.994 28 E CA 3.728 60.135 56.400 0.013 0.000 0.801 28 E CB -0.181 29.533 29.700 0.024 0.000 0.743 28 E HN -0.156 8.217 8.360 0.021 0.000 0.453 29 T N 1.880 116.441 114.554 0.012 0.000 2.777 29 T HA -0.239 4.138 4.350 0.044 0.000 0.266 29 T C 1.956 176.661 174.700 0.009 0.000 1.040 29 T CA 5.143 67.256 62.100 0.022 0.000 1.141 29 T CB -0.224 68.654 68.868 0.017 0.000 0.868 29 T HN -0.456 7.789 8.240 0.008 0.000 0.444 30 I N 1.812 122.363 120.570 -0.031 0.000 2.163 30 I HA -0.717 3.439 4.170 -0.024 0.000 0.243 30 I C 1.449 177.551 176.117 -0.025 0.000 1.085 30 I CA 4.774 66.047 61.300 -0.044 0.000 1.347 30 I CB -0.412 37.521 38.000 -0.113 0.000 1.044 30 I HN -0.115 8.068 8.210 -0.046 0.000 0.408 31 K N -1.189 119.187 120.400 -0.039 0.000 2.057 31 K HA -0.407 3.875 4.320 -0.064 0.000 0.207 31 K C 2.516 179.060 176.600 -0.093 0.000 1.049 31 K CA 3.799 60.050 56.287 -0.060 0.000 0.931 31 K CB -0.341 32.125 32.500 -0.057 0.000 0.714 31 K HN -0.482 7.746 8.250 -0.036 0.000 0.440 32 E N -0.827 119.337 120.200 -0.059 0.000 2.077 32 E HA -0.344 3.838 4.350 -0.280 0.000 0.193 32 E C 2.336 178.932 176.600 -0.006 0.000 0.989 32 E CA 2.854 59.208 56.400 -0.076 0.000 0.800 32 E CB -0.221 29.556 29.700 0.129 0.000 0.746 32 E HN -0.417 7.931 8.360 -0.020 0.000 0.452 33 A N -0.721 122.139 122.820 0.067 0.000 1.902 33 A HA -0.315 4.110 4.320 0.175 0.000 0.217 33 A C 1.731 179.362 177.584 0.078 0.000 1.181 33 A CA 3.236 55.342 52.037 0.115 0.000 0.623 33 A CB -0.529 18.538 19.000 0.112 0.000 0.818 33 A HN -0.287 7.896 8.150 0.055 0.000 0.443 34 V N -1.943 117.988 119.914 0.029 0.000 2.379 34 V HA -0.403 3.755 4.120 0.063 0.000 0.245 34 V C 2.463 178.517 176.094 -0.066 0.000 1.044 34 V CA 3.693 66.004 62.300 0.019 0.000 1.036 34 V CB -0.978 30.857 31.823 0.020 0.000 0.664 34 V HN -0.627 7.572 8.190 0.016 0.000 0.453 35 R N 1.236 121.611 120.500 -0.209 0.000 2.091 35 R HA -0.338 3.840 4.340 -0.270 0.000 0.238 35 R C 1.564 177.645 176.300 -0.365 0.000 1.136 35 R CA 3.167 59.028 56.100 -0.398 0.000 0.959 35 R CB 0.011 29.863 30.300 -0.746 0.000 0.856 35 R HN -0.248 7.889 8.270 -0.221 0.000 0.437 36 F N -3.694 116.264 119.950 0.013 0.000 2.692 36 F HA 0.156 4.681 4.527 -0.003 0.000 0.303 36 F C -0.277 175.524 175.800 0.002 0.000 1.114 36 F CA -0.933 57.069 58.000 0.003 0.000 1.361 36 F CB -0.260 38.741 39.000 0.002 0.000 1.063 36 F HN -0.601 7.578 8.300 -0.201 0.000 0.550 37 S N 1.939 117.712 115.700 0.122 0.000 2.537 37 S HA 0.303 4.826 4.470 0.089 0.000 0.275 37 S C -1.616 173.012 174.600 0.047 0.000 1.272 37 S CA -1.795 56.453 58.200 0.080 0.000 1.050 37 S CB 0.130 63.367 63.200 0.062 0.000 0.961 37 S HN -0.515 7.666 8.310 0.069 0.170 0.496 38 P HA 0.166 4.585 4.420 -0.003 0.000 0.278 38 P C -1.046 176.245 177.300 -0.015 0.000 1.238 38 P CA -0.315 62.782 63.100 -0.005 0.000 0.794 38 P CB 0.758 32.441 31.700 -0.029 0.000 0.955 39 T N -3.698 110.839 114.554 -0.030 0.000 2.900 39 T HA 0.171 4.510 4.350 -0.018 0.000 0.303 39 T C -0.915 173.743 174.700 -0.070 0.000 1.142 39 T CA -2.336 59.751 62.100 -0.023 0.000 1.007 39 T CB 2.296 71.173 68.868 0.015 0.000 1.156 39 T HN -0.315 7.904 8.240 -0.035 0.000 0.490 40 A N 2.768 125.536 122.820 -0.087 0.000 2.546 40 A HA -0.173 3.926 4.320 -0.368 0.000 0.243 40 A C 0.825 178.367 177.584 -0.070 0.000 1.063 40 A CA 0.666 52.578 52.037 -0.209 0.000 0.757 40 A CB -0.166 18.702 19.000 -0.220 0.000 0.991 40 A HN 0.527 8.658 8.150 -0.031 0.000 0.503 41 F N 0.039 119.901 119.950 -0.146 0.000 3.084 41 F HA -0.457 3.994 4.527 -0.125 0.000 0.286 41 F C -0.739 175.040 175.800 -0.034 0.000 0.855 41 F CA 0.444 58.391 58.000 -0.087 0.000 1.091 41 F CB -3.126 35.845 39.000 -0.048 0.000 1.177 41 F HN 0.334 8.493 8.300 -0.235 0.000 0.542 42 N N -3.087 115.589 118.700 -0.040 0.000 2.721 42 N HA -0.418 4.311 4.740 -0.018 0.000 0.249 42 N C 0.897 176.410 175.510 0.006 0.000 1.072 42 N CA 0.688 53.729 53.050 -0.015 0.000 0.710 42 N CB -0.539 37.941 38.487 -0.012 0.000 0.993 42 N HN -0.008 8.306 8.380 -0.063 0.029 0.547 43 S N -2.713 113.000 115.700 0.021 0.000 2.453 43 S HA -0.188 4.300 4.470 0.030 0.000 0.231 43 S C -0.043 174.570 174.600 0.022 0.000 1.005 43 S CA 2.113 60.334 58.200 0.034 0.000 0.949 43 S CB 0.737 63.978 63.200 0.068 0.000 0.774 43 S HN -0.325 7.992 8.310 0.024 0.008 0.510 44 Q N -0.090 119.719 119.800 0.015 0.000 2.443 44 Q HA -0.362 3.978 4.340 0.000 0.000 0.337 44 Q C -0.022 175.972 176.000 -0.010 0.000 1.401 44 Q CA 0.739 56.542 55.803 -0.001 0.000 0.943 44 Q CB -2.099 26.631 28.738 -0.013 0.000 1.177 44 Q HN -0.048 8.211 8.270 0.017 0.021 0.394 45 T N -4.574 109.984 114.554 0.007 0.000 3.113 45 T HA -0.099 4.238 4.350 -0.021 0.000 0.256 45 T C 0.352 175.018 174.700 -0.056 0.000 1.131 45 T CA 1.131 63.226 62.100 -0.008 0.000 1.074 45 T CB 0.123 69.015 68.868 0.040 0.000 0.944 45 T HN 0.285 8.541 8.240 0.027 0.000 0.516 46 G N 0.980 109.756 108.800 -0.040 0.000 2.442 46 G HA2 -0.022 3.947 3.960 0.015 0.000 0.249 46 G HA3 -0.022 4.217 3.960 -0.019 -0.291 0.249 46 G C -1.520 173.267 174.900 -0.188 0.000 1.263 46 G CA -0.470 44.604 45.100 -0.044 0.000 0.846 46 G HN -0.187 8.049 8.290 -0.017 0.044 0.555 47 R N 1.722 122.041 120.500 -0.302 0.000 2.686 47 R HA 0.314 4.320 4.340 -0.558 0.000 0.283 47 R C -1.853 174.244 176.300 -0.337 0.000 0.978 47 R CA -2.102 53.599 56.100 -0.667 0.000 0.897 47 R CB 3.833 32.998 30.300 -1.893 0.000 1.192 47 R HN 0.241 8.401 8.270 -0.183 0.000 0.457 48 L N 1.640 122.703 121.223 -0.266 0.000 2.386 48 L HA 0.862 5.353 4.340 -0.109 -0.217 0.271 48 L C -0.480 176.418 176.870 0.047 0.000 0.993 48 L CA -1.262 53.496 54.840 -0.137 0.000 0.819 48 L CB 2.848 44.739 42.059 -0.280 0.000 1.294 48 L HN 0.261 8.324 8.230 -0.278 0.000 0.414 49 L N 5.298 126.605 121.223 0.140 0.000 2.298 49 L HA 0.445 4.807 4.340 0.036 0.000 0.284 49 L C -2.098 174.710 176.870 -0.104 0.000 1.013 49 L CA -0.939 53.934 54.840 0.055 0.000 0.824 49 L CB 2.916 45.052 42.059 0.128 0.000 1.221 49 L HN 0.382 8.736 8.230 0.208 0.000 0.418 50 I N 6.687 127.188 120.570 -0.115 0.000 2.328 50 I HA 0.257 4.518 4.170 -0.067 -0.130 0.287 50 I C -0.732 175.329 176.117 -0.095 0.000 1.012 50 I CA -0.747 60.508 61.300 -0.076 0.000 1.195 50 I CB 0.488 38.469 38.000 -0.031 0.000 1.350 50 I HN 0.199 8.353 8.210 -0.093 0.000 0.464 51 L N 9.423 130.586 121.223 -0.101 0.000 2.322 51 L HA 0.492 4.725 4.340 -0.179 0.000 0.281 51 L C -1.202 175.617 176.870 -0.086 0.000 1.014 51 L CA -0.993 53.751 54.840 -0.159 0.000 0.815 51 L CB 1.704 43.588 42.059 -0.293 0.000 1.247 51 L HN 0.628 8.827 8.230 -0.052 0.000 0.421 52 T N -2.774 111.705 114.554 -0.126 0.000 2.838 52 T HA 0.598 4.860 4.350 -0.381 -0.141 0.292 52 T C 0.369 174.927 174.700 -0.235 0.000 1.113 52 T CA -2.439 59.483 62.100 -0.298 0.000 1.008 52 T CB 3.434 72.057 68.868 -0.408 0.000 1.259 52 T HN -0.137 8.045 8.240 -0.097 0.000 0.520 53 G N 0.772 109.366 108.800 -0.343 0.000 2.611 53 G HA2 -0.576 3.302 3.960 -0.137 0.000 0.301 53 G HA3 -0.576 3.267 3.960 -0.196 0.000 0.301 53 G C 0.167 175.026 174.900 -0.069 0.000 1.233 53 G CA 1.361 46.353 45.100 -0.180 0.000 0.993 53 G HN -0.203 7.758 8.290 -0.547 0.000 0.553 54 D N 4.599 124.991 120.400 -0.014 0.000 2.182 54 D HA -0.290 4.366 4.640 0.027 0.000 0.201 54 D C 1.651 178.004 176.300 0.088 0.000 0.986 54 D CA 3.009 57.029 54.000 0.033 0.000 0.847 54 D CB -0.431 40.392 40.800 0.038 0.000 0.942 54 D HN 0.149 8.510 8.370 -0.014 0.000 0.467 55 A N -1.954 120.936 122.820 0.116 0.000 1.930 55 A HA -0.204 4.348 4.320 0.388 0.000 0.217 55 A C 1.756 179.441 177.584 0.168 0.000 1.175 55 A CA 3.023 55.210 52.037 0.251 0.000 0.627 55 A CB -0.658 18.480 19.000 0.230 0.000 0.815 55 A HN -0.386 7.797 8.150 0.078 0.014 0.443 56 Q N -0.966 118.868 119.800 0.056 0.000 2.050 56 Q HA -0.312 4.088 4.340 0.100 0.000 0.202 56 Q C 1.969 178.094 176.000 0.208 0.000 0.980 56 Q CA 2.792 58.649 55.803 0.090 0.000 0.840 56 Q CB -0.496 28.225 28.738 -0.029 0.000 0.898 56 Q HN -0.603 7.566 8.270 0.004 0.103 0.424 57 D N -0.405 120.074 120.400 0.132 0.000 2.117 57 D HA -0.326 4.416 4.640 0.169 0.000 0.197 57 D C 2.216 178.612 176.300 0.160 0.000 0.987 57 D CA 3.286 57.372 54.000 0.143 0.000 0.829 57 D CB -0.345 40.501 40.800 0.076 0.000 0.961 57 D HN -0.502 7.915 8.370 0.079 0.000 0.460 58 K N 0.185 120.674 120.400 0.149 0.000 2.057 58 K HA -0.278 4.092 4.320 0.084 0.000 0.206 58 K C 2.377 179.056 176.600 0.132 0.000 1.050 58 K CA 3.092 59.456 56.287 0.128 0.000 0.935 58 K CB -0.087 32.494 32.500 0.134 0.000 0.715 58 K HN -0.517 7.826 8.250 0.155 0.000 0.439 59 L N -0.484 120.840 121.223 0.168 0.000 1.990 59 L HA -0.372 4.025 4.340 0.096 0.000 0.213 59 L C 1.264 177.973 176.870 -0.268 0.000 1.072 59 L CA 3.490 58.302 54.840 -0.047 0.000 0.755 59 L CB -0.302 41.573 42.059 -0.307 0.000 0.889 59 L HN -0.367 7.991 8.230 0.213 0.000 0.432 60 W N -4.023 117.305 121.300 0.046 0.000 2.443 60 W HA -0.268 4.380 4.660 -0.020 0.000 0.296 60 W C 2.260 178.781 176.519 0.002 0.000 1.202 60 W CA 3.783 61.133 57.345 0.009 0.000 1.312 60 W CB -0.117 29.360 29.460 0.028 0.000 1.120 60 W HN -0.772 7.504 8.180 0.159 0.000 0.536 61 D N -2.393 118.121 120.400 0.190 0.000 2.183 61 D HA -0.073 4.638 4.640 0.118 0.000 0.205 61 D C 1.903 178.234 176.300 0.052 0.000 0.962 61 D CA 3.139 57.206 54.000 0.111 0.000 0.849 61 D CB 0.160 41.014 40.800 0.089 0.000 0.978 61 D HN -0.360 8.126 8.370 0.193 0.000 0.488 62 E N -3.422 116.796 120.200 0.030 0.000 2.447 62 E HA 0.051 4.399 4.350 -0.003 0.000 0.204 62 E C 0.584 177.168 176.600 -0.027 0.000 0.977 62 E CA 0.766 57.163 56.400 -0.005 0.000 0.950 62 E CB 1.759 31.448 29.700 -0.019 0.000 0.975 62 E HN -0.398 7.985 8.360 0.038 0.000 0.496 63 I N -2.148 118.398 120.570 -0.040 0.000 3.534 63 I HA -0.009 4.131 4.170 -0.049 0.000 0.251 63 I C 1.212 177.271 176.117 -0.097 0.000 1.136 63 I CA 2.010 63.272 61.300 -0.064 0.000 1.475 63 I CB 1.815 39.782 38.000 -0.055 0.000 1.526 63 I HN -0.715 7.472 8.210 -0.039 0.000 0.454 64 V N 1.107 120.912 119.914 -0.181 0.000 2.307 64 V HA -0.517 3.460 4.120 -0.240 0.000 0.245 64 V C 1.448 177.484 176.094 -0.098 0.000 1.045 64 V CA 4.716 66.874 62.300 -0.237 0.000 1.024 64 V CB -0.498 31.041 31.823 -0.474 0.000 0.651 64 V HN -0.011 8.045 8.190 -0.224 0.000 0.449 65 A N -1.239 121.575 122.820 -0.009 0.000 1.865 65 A HA -0.145 4.196 4.320 0.034 0.000 0.217 65 A C -1.201 176.390 177.584 0.013 0.000 1.191 65 A CA 5.073 57.126 52.037 0.027 0.000 0.623 65 A CB -2.783 16.253 19.000 0.059 0.000 0.826 65 A HN -0.249 7.911 8.150 0.017 0.000 0.444 66 P HA -0.212 4.213 4.420 0.009 0.000 0.217 66 P C 1.964 179.267 177.300 0.005 0.000 1.150 66 P CA 2.824 65.926 63.100 0.004 0.000 0.832 66 P CB -0.472 31.226 31.700 -0.004 0.000 0.787 67 E N -2.600 117.598 120.200 -0.004 0.000 2.106 67 E HA -0.307 4.050 4.350 0.012 0.000 0.192 67 E C 2.354 178.972 176.600 0.030 0.000 0.984 67 E CA 2.689 59.094 56.400 0.009 0.000 0.806 67 E CB -0.460 29.240 29.700 0.001 0.000 0.750 67 E HN -0.482 7.867 8.360 -0.017 0.000 0.458 68 L N 0.036 121.277 121.223 0.030 0.000 2.056 68 L HA -0.279 4.116 4.340 0.092 0.000 0.207 68 L C 1.512 178.416 176.870 0.057 0.000 1.078 68 L CA 2.666 57.545 54.840 0.065 0.000 0.749 68 L CB -0.099 42.001 42.059 0.069 0.000 0.901 68 L HN -0.000 8.234 8.230 0.008 0.000 0.433 69 K N -0.780 119.644 120.400 0.040 0.000 2.057 69 K HA -0.413 3.931 4.320 0.039 0.000 0.207 69 K C 2.063 178.682 176.600 0.031 0.000 1.049 69 K CA 3.496 59.804 56.287 0.035 0.000 0.931 69 K CB -0.055 32.460 32.500 0.026 0.000 0.714 69 K HN -0.193 8.076 8.250 0.033 0.000 0.440 70 A N -2.268 120.568 122.820 0.027 0.000 1.933 70 A HA -0.188 4.144 4.320 0.020 0.000 0.218 70 A C 1.772 179.373 177.584 0.029 0.000 1.175 70 A CA 2.653 54.704 52.037 0.023 0.000 0.628 70 A CB -0.565 18.445 19.000 0.018 0.000 0.814 70 A HN -0.324 7.841 8.150 0.025 0.000 0.444 71 A N -2.161 120.682 122.820 0.038 0.000 2.015 71 A HA -0.181 4.163 4.320 0.039 0.000 0.219 71 A C 2.130 179.740 177.584 0.044 0.000 1.163 71 A CA 2.429 54.493 52.037 0.044 0.000 0.646 71 A CB -0.337 18.699 19.000 0.060 0.000 0.806 71 A HN -0.472 7.703 8.150 0.042 0.000 0.448 72 M N -1.686 117.942 119.600 0.045 0.000 2.236 72 M HA -0.160 4.347 4.480 0.045 0.000 0.266 72 M C 1.619 177.938 176.300 0.032 0.000 1.070 72 M CA 2.031 57.356 55.300 0.042 0.000 1.137 72 M CB -0.567 32.060 32.600 0.046 0.000 1.378 72 M HN -0.297 7.897 8.290 0.046 0.124 0.426 73 E N -1.194 119.023 120.200 0.027 0.000 2.267 73 E HA -0.181 4.181 4.350 0.020 0.000 0.197 73 E C 0.123 176.735 176.600 0.020 0.000 0.998 73 E CA 0.527 56.939 56.400 0.021 0.000 0.830 73 E CB 0.117 29.828 29.700 0.018 0.000 0.751 73 E HN -0.159 8.218 8.360 0.028 0.000 0.491 88 K N -0.031 120.248 120.400 -0.203 0.000 2.147 88 K HA -0.154 3.873 4.320 -0.488 0.000 0.205 88 K C 2.038 178.293 176.600 -0.575 0.000 1.049 88 K CA 1.943 57.979 56.287 -0.418 0.000 0.936 88 K CB 0.090 32.402 32.500 -0.314 0.000 0.722 88 K HN -0.049 8.118 8.250 -0.139 0.000 0.446 89 L N -1.900 119.198 121.223 -0.208 0.000 2.083 89 L HA -0.336 4.039 4.340 0.058 0.000 0.209 89 L C 1.658 178.417 176.870 -0.186 0.000 1.083 89 L CA 2.808 57.612 54.840 -0.060 0.000 0.752 89 L CB -1.097 41.029 42.059 0.112 0.000 0.899 89 L HN -0.041 8.115 8.230 -0.102 0.013 0.433 90 D N -1.976 118.319 120.400 -0.175 0.000 2.144 90 D HA -0.259 4.317 4.640 -0.107 0.000 0.199 90 D C 2.456 178.612 176.300 -0.240 0.000 0.984 90 D CA 4.052 57.958 54.000 -0.156 0.000 0.834 90 D CB -0.748 39.987 40.800 -0.108 0.000 0.955 90 D HN -0.424 7.766 8.370 -0.154 0.087 0.465 91 G N -0.872 107.711 108.800 -0.361 0.000 2.422 91 G HA2 -0.210 3.485 3.960 -0.441 0.000 0.218 91 G HA3 -0.210 3.601 3.960 -0.248 0.000 0.218 91 G C 1.210 175.871 174.900 -0.399 0.000 1.140 91 G CA 1.730 46.605 45.100 -0.375 0.000 0.775 91 G HN -0.673 7.282 8.290 -0.407 0.091 0.545 92 F N 0.209 119.879 119.950 -0.467 0.000 2.163 92 F HA -0.173 4.003 4.527 -0.585 0.000 0.297 92 F C 2.371 177.617 175.800 -0.923 0.000 1.094 92 F CA 1.203 58.697 58.000 -0.844 0.000 1.290 92 F CB -0.570 37.450 39.000 -1.634 0.000 1.017 92 F HN -0.698 7.041 8.300 -0.784 0.091 0.483 93 K N 0.921 120.963 120.400 -0.596 0.000 2.063 93 K HA -0.431 3.713 4.320 -0.295 0.000 0.208 93 K C 1.716 178.225 176.600 -0.152 0.000 1.048 93 K CA 3.314 59.429 56.287 -0.286 0.000 0.928 93 K CB -0.101 32.370 32.500 -0.048 0.000 0.713 93 K HN -0.086 7.860 8.250 -0.506 0.000 0.442 94 A N -3.512 119.221 122.820 -0.147 0.000 2.125 94 A HA -0.198 4.085 4.320 -0.062 0.000 0.219 94 A C 0.138 177.681 177.584 -0.069 0.000 1.156 94 A CA 1.151 53.136 52.037 -0.087 0.000 0.671 94 A CB -0.370 18.580 19.000 -0.083 0.000 0.794 94 A HN -0.381 7.662 8.150 -0.178 0.000 0.459 95 A N -2.479 120.283 122.820 -0.097 0.000 2.366 95 A HA -0.142 4.154 4.320 -0.040 0.000 0.250 95 A C 0.032 177.563 177.584 -0.089 0.000 1.099 95 A CA -0.485 51.505 52.037 -0.079 0.000 0.794 95 A CB 0.449 19.388 19.000 -0.101 0.000 1.056 95 A HN -0.765 7.259 8.150 -0.138 0.044 0.499 96 F N 0.734 120.504 119.950 -0.299 0.000 2.206 96 F HA -0.248 4.160 4.527 -0.199 0.000 0.298 96 F C -0.839 174.695 175.800 -0.442 0.000 1.090 96 F CA 2.658 60.457 58.000 -0.335 0.000 1.323 96 F CB 1.412 40.202 39.000 -0.350 0.000 1.028 96 F HN -0.258 8.019 8.300 -0.038 0.000 0.492 97 G N -7.058 101.327 108.800 -0.691 0.000 2.550 97 G HA2 0.319 3.959 3.960 -0.605 0.000 0.293 97 G HA3 0.319 4.227 3.960 -0.323 -0.142 0.293 97 G C -2.872 171.877 174.900 -0.252 0.000 1.402 97 G CA 0.415 45.184 45.100 -0.551 0.000 0.784 97 G HN -0.731 7.095 8.290 -0.774 0.000 0.482 98 T N 1.185 115.801 114.554 0.104 0.000 2.921 98 T HA 0.560 5.256 4.350 0.291 -0.172 0.297 98 T C -1.523 173.282 174.700 0.175 0.000 1.013 98 T CA -0.383 61.850 62.100 0.222 0.000 0.990 98 T CB 2.884 71.893 68.868 0.234 0.000 1.023 98 T HN 0.072 8.364 8.240 0.087 0.000 0.447 99 I N 7.224 127.882 120.570 0.145 0.000 2.328 99 I HA 0.264 4.507 4.170 -0.131 -0.152 0.287 99 I C -1.544 174.436 176.117 -0.228 0.000 1.012 99 I CA -0.691 60.539 61.300 -0.117 0.000 1.195 99 I CB 0.814 38.663 38.000 -0.252 0.000 1.350 99 I HN 0.838 9.068 8.210 0.210 0.106 0.464 100 L N 7.274 128.350 121.223 -0.245 0.000 2.265 100 L HA 0.368 4.736 4.340 -0.216 -0.158 0.288 100 L C -0.904 175.757 176.870 -0.347 0.000 1.058 100 L CA -0.566 54.120 54.840 -0.256 0.000 0.809 100 L CB 0.469 42.413 42.059 -0.191 0.000 1.179 100 L HN 0.637 8.750 8.230 -0.196 0.000 0.429 101 F N 3.096 122.877 119.950 -0.282 0.000 2.410 101 F HA 0.424 5.070 4.527 -0.032 -0.138 0.349 101 F C -0.522 175.079 175.800 -0.333 0.000 1.117 101 F CA -0.284 57.611 58.000 -0.176 0.000 1.104 101 F CB 1.317 40.245 39.000 -0.121 0.000 1.122 101 F HN 0.243 8.542 8.300 -0.002 0.000 0.483 102 F N 1.104 121.073 119.950 0.031 0.000 2.611 102 F HA 0.691 5.429 4.527 0.060 -0.175 0.324 102 F C -0.588 175.159 175.800 -0.089 0.000 1.061 102 F CA -1.877 56.112 58.000 -0.018 0.000 0.954 102 F CB 4.440 43.406 39.000 -0.057 0.000 1.301 102 F HN 0.803 9.295 8.300 0.320 0.000 0.482 103 E N -0.186 120.105 120.200 0.152 0.000 2.187 103 E HA 0.431 4.951 4.350 0.009 -0.166 0.268 103 E C -1.213 175.412 176.600 0.041 0.000 0.896 103 E CA -1.783 54.652 56.400 0.058 0.000 0.766 103 E CB 3.014 32.766 29.700 0.085 0.000 1.142 103 E HN 0.145 8.628 8.360 0.205 0.000 0.408 104 D N 5.517 125.893 120.400 -0.041 0.000 2.359 104 D HA 0.089 4.909 4.640 0.055 -0.147 0.250 104 D C 0.822 177.166 176.300 0.074 0.000 1.264 104 D CA -0.347 53.657 54.000 0.006 0.000 0.911 104 D CB 0.790 41.561 40.800 -0.048 0.000 1.056 104 D HN 0.305 8.631 8.370 -0.073 0.000 0.499 105 Q N 6.469 126.337 119.800 0.114 0.000 2.291 105 Q HA -0.241 4.154 4.340 0.091 0.000 0.205 105 Q C 2.010 178.058 176.000 0.079 0.000 0.970 105 Q CA 2.073 57.935 55.803 0.099 0.000 0.876 105 Q CB -0.461 28.342 28.738 0.109 0.000 0.935 105 Q HN 0.464 8.822 8.270 0.147 0.000 0.455 106 A N -0.486 122.386 122.820 0.087 0.000 1.930 106 A HA -0.217 4.135 4.320 0.054 0.000 0.217 106 A C 1.278 178.884 177.584 0.037 0.000 1.175 106 A CA 3.312 55.387 52.037 0.063 0.000 0.627 106 A CB -0.684 18.361 19.000 0.075 0.000 0.815 106 A HN -0.201 8.216 8.150 0.111 -0.200 0.443 107 V N -0.620 119.316 119.914 0.037 0.000 2.307 107 V HA -0.374 3.745 4.120 -0.001 0.000 0.245 107 V C 1.916 177.999 176.094 -0.019 0.000 1.045 107 V CA 3.439 65.744 62.300 0.008 0.000 1.024 107 V CB -0.647 31.185 31.823 0.014 0.000 0.651 107 V HN -0.765 7.609 8.190 0.051 -0.153 0.449 108 V N 0.298 120.221 119.914 0.016 0.000 2.282 108 V HA -0.549 3.572 4.120 0.002 0.000 0.249 108 V C 1.913 178.002 176.094 -0.009 0.000 1.057 108 V CA 4.698 67.013 62.300 0.025 0.000 1.032 108 V CB -1.084 30.796 31.823 0.094 0.000 0.645 108 V HN -0.587 7.627 8.190 0.040 0.000 0.447 109 K N -0.683 119.727 120.400 0.017 0.000 2.057 109 K HA -0.310 4.248 4.320 0.036 -0.217 0.207 109 K C 2.469 179.057 176.600 -0.021 0.000 1.049 109 K CA 3.326 59.623 56.287 0.017 0.000 0.931 109 K CB -0.261 32.255 32.500 0.028 0.000 0.714 109 K HN -0.116 8.152 8.250 0.030 0.000 0.440 110 N N -0.487 118.189 118.700 -0.041 0.000 2.120 110 N HA -0.257 4.452 4.740 -0.052 0.000 0.188 110 N C 2.509 177.946 175.510 -0.122 0.000 1.024 110 N CA 2.765 55.776 53.050 -0.065 0.000 0.852 110 N CB -0.240 38.217 38.487 -0.049 0.000 1.003 110 N HN -0.549 7.814 8.380 -0.029 0.000 0.424 111 L N -0.148 120.946 121.223 -0.216 0.000 2.056 111 L HA -0.407 3.803 4.340 -0.215 0.000 0.207 111 L C 1.901 178.579 176.870 -0.321 0.000 1.078 111 L CA 3.481 58.061 54.840 -0.433 0.000 0.749 111 L CB -0.394 41.023 42.059 -1.071 0.000 0.901 111 L HN -0.084 8.020 8.230 -0.211 0.000 0.433 112 Q N -1.423 118.295 119.800 -0.137 0.000 2.135 112 Q HA -0.415 4.199 4.340 0.457 0.000 0.204 112 Q C 2.591 178.669 176.000 0.129 0.000 0.981 112 Q CA 3.489 59.407 55.803 0.191 0.000 0.856 112 Q CB -0.138 28.704 28.738 0.173 0.000 0.902 112 Q HN -0.183 7.998 8.270 -0.148 0.000 0.425 113 E N -1.829 118.381 120.200 0.018 0.000 2.112 113 E HA -0.290 4.067 4.350 0.011 0.000 0.190 113 E C 2.599 179.152 176.600 -0.078 0.000 0.979 113 E CA 2.330 58.720 56.400 -0.016 0.000 0.814 113 E CB -0.259 29.419 29.700 -0.037 0.000 0.762 113 E HN -0.552 7.693 8.360 -0.018 0.105 0.460 114 Q N -1.091 118.593 119.800 -0.192 0.000 2.137 114 Q HA -0.079 4.035 4.340 -0.377 0.000 0.198 114 Q C 1.354 176.985 176.000 -0.615 0.000 0.960 114 Q CA 1.929 57.436 55.803 -0.494 0.000 0.847 114 Q CB 0.811 29.079 28.738 -0.783 0.000 0.915 114 Q HN -0.582 7.583 8.270 -0.175 0.000 0.448 115 F N -1.193 118.864 119.950 0.179 0.000 2.523 115 F HA 0.257 4.933 4.527 0.249 0.000 0.322 115 F C -0.519 175.472 175.800 0.318 0.000 1.361 115 F CA -2.217 55.974 58.000 0.319 0.000 1.151 115 F CB 0.035 39.376 39.000 0.568 0.000 1.391 115 F HN -0.168 8.198 8.300 0.110 0.000 0.566 116 A N 2.937 125.908 122.820 0.253 0.000 2.076 116 A HA -0.235 4.372 4.320 0.192 -0.172 0.220 116 A C 2.148 179.795 177.584 0.104 0.000 1.160 116 A CA 2.536 54.672 52.037 0.165 0.000 0.653 116 A CB -0.422 18.624 19.000 0.076 0.000 0.801 116 A HN 0.356 8.604 8.150 0.163 0.000 0.455 117 L N -2.658 118.598 121.223 0.054 0.000 2.127 117 L HA -0.212 4.015 4.340 -0.187 0.000 0.211 117 L C 0.110 176.738 176.870 -0.404 0.000 1.089 117 L CA 2.164 56.868 54.840 -0.228 0.000 0.757 117 L CB -0.067 41.752 42.059 -0.400 0.000 0.899 117 L HN -0.224 8.046 8.230 0.128 0.037 0.434 118 Y N -5.708 114.653 120.300 0.101 0.000 2.696 118 Y HA 0.131 4.559 4.550 -0.204 0.000 0.260 118 Y C 0.139 175.917 175.900 -0.202 0.000 1.165 118 Y CA -1.256 56.752 58.100 -0.153 0.000 1.189 118 Y CB -0.571 37.701 38.460 -0.312 0.000 1.180 118 Y HN -0.316 8.003 8.280 0.290 0.135 0.538 119 A N 1.533 124.454 122.820 0.168 0.000 1.940 119 A HA -0.321 4.307 4.320 0.514 0.000 0.219 119 A C 0.744 178.373 177.584 0.075 0.000 1.176 119 A CA 3.199 55.386 52.037 0.250 0.000 0.631 119 A CB -0.328 18.770 19.000 0.164 0.000 0.814 119 A HN -0.863 7.369 8.150 0.136 0.000 0.446 120 D N -3.669 116.690 120.400 -0.069 0.000 2.224 120 D HA -0.126 4.469 4.640 -0.074 0.000 0.205 120 D C 1.516 177.638 176.300 -0.296 0.000 0.965 120 D CA 2.554 56.475 54.000 -0.131 0.000 0.852 120 D CB -0.242 40.486 40.800 -0.121 0.000 0.947 120 D HN 0.186 8.496 8.370 -0.076 0.014 0.494 121 N N 0.259 118.623 118.700 -0.560 0.000 2.250 121 N HA -0.158 3.982 4.740 -1.001 0.000 0.181 121 N C 1.939 176.782 175.510 -1.111 0.000 1.017 121 N CA 2.776 55.133 53.050 -1.156 0.000 0.866 121 N CB 0.169 37.525 38.487 -1.886 0.000 0.985 121 N HN -0.435 7.492 8.380 -0.524 0.138 0.429 122 F N -0.300 119.426 119.950 -0.373 0.000 2.134 122 F HA -0.104 4.471 4.527 0.079 0.000 0.299 122 F C -1.004 174.784 175.800 -0.020 0.000 1.097 122 F CA 5.113 63.081 58.000 -0.055 0.000 1.264 122 F CB -2.986 36.068 39.000 0.091 0.000 1.001 122 F HN -0.539 7.455 8.300 -0.510 0.000 0.479 123 P HA -0.284 4.204 4.420 0.113 0.000 0.216 123 P C 1.193 178.510 177.300 0.027 0.000 1.150 123 P CA 3.271 66.413 63.100 0.070 0.000 0.837 123 P CB -0.478 31.243 31.700 0.034 0.000 0.786 124 V N -1.482 118.379 119.914 -0.089 0.000 2.295 124 V HA -0.339 3.765 4.120 -0.027 0.000 0.246 124 V C 2.192 178.331 176.094 0.075 0.000 1.049 124 V CA 4.174 66.425 62.300 -0.082 0.000 1.024 124 V CB -0.611 31.069 31.823 -0.239 0.000 0.648 124 V HN -0.858 7.222 8.190 -0.182 0.000 0.447 125 W N -2.173 119.143 121.300 0.026 0.000 2.402 125 W HA 0.005 4.671 4.660 0.009 0.000 0.286 125 W C 2.799 179.351 176.519 0.055 0.000 1.221 125 W CA 0.634 57.996 57.345 0.028 0.000 1.257 125 W CB -1.462 28.010 29.460 0.021 0.000 1.120 125 W HN 0.222 8.346 8.180 -0.094 0.000 0.551 126 S N -0.016 115.856 115.700 0.286 0.000 2.368 126 S HA -0.280 4.304 4.470 0.190 0.000 0.224 126 S C 2.269 176.948 174.600 0.131 0.000 1.029 126 S CA 3.241 61.556 58.200 0.192 0.000 0.988 126 S CB -0.545 62.757 63.200 0.169 0.000 0.838 126 S HN 0.012 8.474 8.310 0.272 0.011 0.462 127 E N 1.706 121.975 120.200 0.114 0.000 2.051 127 E HA -0.339 4.052 4.350 0.068 0.000 0.192 127 E C 2.321 178.967 176.600 0.076 0.000 0.991 127 E CA 2.830 59.277 56.400 0.078 0.000 0.799 127 E CB -0.285 29.449 29.700 0.057 0.000 0.748 127 E HN -0.557 7.872 8.360 0.115 0.000 0.449 128 Q N -1.316 118.549 119.800 0.107 0.000 2.096 128 Q HA -0.349 4.035 4.340 0.074 0.000 0.204 128 Q C 2.737 178.780 176.000 0.072 0.000 0.982 128 Q CA 2.863 58.724 55.803 0.097 0.000 0.850 128 Q CB -0.094 28.730 28.738 0.143 0.000 0.901 128 Q HN -0.221 8.131 8.270 0.137 0.000 0.422 129 G N -1.353 107.501 108.800 0.089 0.000 2.442 129 G HA2 -0.380 3.627 3.960 0.078 0.000 0.219 129 G HA3 -0.380 3.610 3.960 0.050 0.000 0.219 129 G C 1.259 176.181 174.900 0.036 0.000 1.141 129 G CA 2.005 47.143 45.100 0.064 0.000 0.763 129 G HN 0.089 8.382 8.290 0.123 0.071 0.554 130 S N 2.379 118.100 115.700 0.035 0.000 2.368 130 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 130 S C 2.369 176.921 174.600 -0.080 0.000 1.029 130 S CA 2.735 60.931 58.200 -0.006 0.000 0.988 130 S CB -0.501 62.710 63.200 0.019 0.000 0.838 130 S HN -0.327 7.925 8.310 0.052 0.090 0.462 131 G N 1.036 109.819 108.800 -0.029 0.000 2.418 131 G HA2 -0.282 3.680 3.960 0.003 0.000 0.217 131 G HA3 -0.282 3.651 3.960 -0.046 0.000 0.217 131 G C 0.998 175.878 174.900 -0.034 0.000 1.158 131 G CA 2.033 47.116 45.100 -0.029 0.000 0.771 131 G HN -0.574 7.718 8.290 0.003 0.000 0.545 132 I N 3.047 123.612 120.570 -0.008 0.000 2.127 132 I HA -0.498 3.684 4.170 0.021 0.000 0.241 132 I C 1.594 177.709 176.117 -0.003 0.000 1.075 132 I CA 4.289 65.595 61.300 0.009 0.000 1.334 132 I CB 0.107 38.121 38.000 0.023 0.000 1.040 132 I HN -0.387 7.826 8.210 0.004 0.000 0.405 133 I N -3.799 116.756 120.570 -0.026 0.000 2.439 133 I HA -0.216 3.984 4.170 0.050 0.000 0.251 133 I C 1.840 177.879 176.117 -0.129 0.000 1.139 133 I CA 3.078 64.380 61.300 0.003 0.000 1.438 133 I CB -0.363 37.695 38.000 0.097 0.000 1.085 133 I HN -0.335 7.858 8.210 -0.028 0.000 0.427 134 S N 1.826 117.262 115.700 -0.441 0.000 2.356 134 S HA -0.293 3.355 4.470 -1.371 0.000 0.223 134 S C 2.230 176.769 174.600 -0.101 0.000 1.032 134 S CA 3.871 61.630 58.200 -0.734 0.000 1.005 134 S CB -0.783 61.987 63.200 -0.716 0.000 0.867 134 S HN -0.334 7.745 8.310 -0.384 0.000 0.449 135 V N 2.040 121.977 119.914 0.037 0.000 2.548 135 V HA -0.402 3.921 4.120 0.338 0.000 0.249 135 V C 0.970 177.142 176.094 0.130 0.000 1.055 135 V CA 3.321 65.714 62.300 0.156 0.000 1.065 135 V CB -0.272 31.588 31.823 0.061 0.000 0.681 135 V HN -0.325 7.857 8.190 -0.012 0.000 0.462 136 N N 0.386 119.145 118.700 0.099 0.000 2.142 136 N HA -0.261 4.549 4.740 0.116 0.000 0.186 136 N C 2.605 178.201 175.510 0.144 0.000 1.023 136 N CA 3.187 56.309 53.050 0.119 0.000 0.852 136 N CB -0.531 38.027 38.487 0.119 0.000 0.998 136 N HN -0.484 7.938 8.380 0.070 0.000 0.424 137 V N 0.953 120.967 119.914 0.167 0.000 2.295 137 V HA -0.327 3.877 4.120 0.140 0.000 0.246 137 V C 1.509 177.730 176.094 0.211 0.000 1.049 137 V CA 4.412 66.822 62.300 0.184 0.000 1.024 137 V CB -0.663 31.335 31.823 0.292 0.000 0.648 137 V HN -0.303 7.980 8.190 0.155 0.000 0.447 138 W N 0.317 121.629 121.300 0.020 0.000 2.335 138 W HA -0.315 4.356 4.660 0.018 0.000 0.311 138 W C 2.067 178.584 176.519 -0.003 0.000 1.213 138 W CA 3.192 60.541 57.345 0.007 0.000 1.274 138 W CB -0.557 28.896 29.460 -0.012 0.000 1.148 138 W HN -0.120 8.280 8.180 0.366 0.000 0.498 139 T N 0.265 114.927 114.554 0.181 0.000 2.821 139 T HA -0.323 4.008 4.350 -0.032 0.000 0.267 139 T C 1.812 176.549 174.700 0.061 0.000 1.046 139 T CA 4.747 66.864 62.100 0.028 0.000 1.139 139 T CB -0.606 68.234 68.868 -0.046 0.000 0.871 139 T HN -0.161 8.187 8.240 0.180 0.000 0.454 140 A N 1.692 124.568 122.820 0.092 0.000 1.902 140 A HA -0.224 4.136 4.320 0.067 0.000 0.217 140 A C 2.137 179.757 177.584 0.061 0.000 1.181 140 A CA 3.024 55.106 52.037 0.075 0.000 0.623 140 A CB -0.904 18.145 19.000 0.082 0.000 0.818 140 A HN -0.368 7.850 8.150 0.113 0.000 0.443 141 L N -2.388 118.880 121.223 0.075 0.000 2.046 141 L HA -0.466 3.888 4.340 0.024 0.000 0.208 141 L C 2.196 179.121 176.870 0.091 0.000 1.077 141 L CA 2.895 57.772 54.840 0.062 0.000 0.747 141 L CB -0.399 41.694 42.059 0.056 0.000 0.896 141 L HN -0.136 8.154 8.230 0.100 0.000 0.432 142 A N -1.233 121.655 122.820 0.113 0.000 1.933 142 A HA -0.170 4.431 4.320 0.095 -0.224 0.218 142 A C 2.906 180.513 177.584 0.039 0.000 1.175 142 A CA 2.623 54.708 52.037 0.079 0.000 0.628 142 A CB -0.757 18.270 19.000 0.044 0.000 0.814 142 A HN -0.355 7.878 8.150 0.137 0.000 0.444 143 E N -0.721 119.497 120.200 0.030 0.000 2.204 143 E HA -0.210 4.146 4.350 0.009 0.000 0.194 143 E C 1.213 177.826 176.600 0.023 0.000 0.989 143 E CA 2.118 58.529 56.400 0.019 0.000 0.824 143 E CB -0.104 29.610 29.700 0.023 0.000 0.756 143 E HN -0.468 7.817 8.360 0.036 0.097 0.477 144 L N -3.895 117.346 121.223 0.029 0.000 2.610 144 L HA -0.037 4.314 4.340 0.018 0.000 0.232 144 L C 0.411 177.295 176.870 0.023 0.000 1.149 144 L CA -0.081 54.773 54.840 0.023 0.000 0.872 144 L CB 0.329 42.400 42.059 0.020 0.000 0.992 144 L HN -0.681 7.456 8.230 0.035 0.114 0.447 145 G N -3.039 105.779 108.800 0.030 0.000 2.157 145 G HA2 -0.336 3.637 3.960 0.021 0.000 0.248 145 G HA3 -0.336 3.641 3.960 0.029 0.000 0.248 145 G C -0.896 174.031 174.900 0.045 0.000 0.979 145 G CA 0.012 45.130 45.100 0.030 0.000 0.650 145 G HN -0.411 7.707 8.290 0.033 0.192 0.529 146 L N -0.600 120.665 121.223 0.069 0.000 2.343 146 L HA 0.298 4.766 4.340 0.090 -0.074 0.275 146 L C -0.574 176.382 176.870 0.143 0.000 1.056 146 L CA -0.850 54.054 54.840 0.108 0.000 0.804 146 L CB 1.129 43.278 42.059 0.151 0.000 1.203 146 L HN -0.762 7.463 8.230 0.068 0.046 0.440 147 G N -0.703 108.188 108.800 0.152 0.000 2.491 147 G HA2 0.708 4.752 3.960 0.139 0.000 0.327 147 G HA3 0.708 4.786 3.960 0.197 0.000 0.327 147 G C -2.743 172.283 174.900 0.210 0.000 1.189 147 G CA -1.787 43.418 45.100 0.175 0.000 0.956 147 G HN 0.136 8.507 8.290 0.135 0.000 0.491 148 A N -2.293 120.657 122.820 0.216 0.000 2.610 148 A HA 1.029 5.567 4.320 0.074 -0.174 0.291 148 A C -2.434 175.102 177.584 -0.079 0.000 1.086 148 A CA -0.814 51.249 52.037 0.044 0.000 0.677 148 A CB 3.821 22.733 19.000 -0.147 0.000 1.278 148 A HN -0.063 8.261 8.150 0.290 0.000 0.414 149 N N -2.254 116.284 118.700 -0.271 0.000 2.329 149 N HA 0.269 4.790 4.740 -0.366 0.000 0.282 149 N C -2.424 172.805 175.510 -0.468 0.000 1.198 149 N CA -0.366 52.486 53.050 -0.330 0.000 0.790 149 N CB 3.529 41.928 38.487 -0.147 0.000 1.579 149 N HN 0.330 8.583 8.380 -0.212 0.000 0.475 150 L N 0.883 121.812 121.223 -0.490 0.000 2.298 150 L HA 0.487 4.691 4.340 -0.471 -0.146 0.284 150 L C -1.122 175.584 176.870 -0.273 0.000 1.013 150 L CA -1.005 53.565 54.840 -0.450 0.000 0.824 150 L CB 1.383 43.158 42.059 -0.475 0.000 1.221 150 L HN 0.393 8.408 8.230 -0.358 0.000 0.418 151 Q N 5.882 125.453 119.800 -0.382 0.000 2.297 151 Q HA 0.312 4.505 4.340 -0.245 0.000 0.269 151 Q C -1.766 173.811 176.000 -0.706 0.000 1.051 151 Q CA -2.037 53.539 55.803 -0.379 0.000 0.869 151 Q CB 3.474 32.057 28.738 -0.259 0.000 1.346 151 Q HN 0.624 8.671 8.270 -0.372 0.000 0.457 152 H N 0.490 119.388 119.070 -0.286 0.000 2.488 152 H HA 0.433 5.043 4.556 -0.138 -0.137 0.237 152 H C -0.477 174.646 175.328 -0.342 0.000 1.395 152 H CA -0.454 55.457 56.048 -0.229 0.000 1.491 152 H CB 0.149 29.817 29.762 -0.157 0.000 1.567 152 H HN 0.489 8.527 8.280 -0.404 0.000 0.508 153 Y N 0.517 120.825 120.300 0.012 0.000 2.468 153 Y HA -0.045 4.533 4.550 0.047 0.000 0.268 153 Y C -0.699 175.200 175.900 -0.002 0.000 1.177 153 Y CA 0.249 58.354 58.100 0.009 0.000 1.265 153 Y CB 0.148 38.586 38.460 -0.036 0.000 1.103 153 Y HN 0.516 9.170 8.280 0.023 -0.361 0.522 154 N N 0.797 119.552 118.700 0.091 0.000 2.518 154 N HA 0.060 4.978 4.740 0.068 -0.137 0.266 154 N C -0.916 174.636 175.510 0.069 0.000 1.196 154 N CA -1.227 51.863 53.050 0.067 0.000 0.947 154 N CB 0.002 38.510 38.487 0.036 0.000 1.098 154 N HN -0.384 7.990 8.380 0.063 0.044 0.450 155 P HA 0.301 5.108 4.420 0.069 -0.346 0.257 155 P C 0.291 177.635 177.300 0.072 0.000 1.281 155 P CA 0.023 63.163 63.100 0.068 0.000 0.826 155 P CB 0.699 32.435 31.700 0.061 0.000 1.237 156 L N -0.259 121.014 121.223 0.084 0.000 2.042 156 L HA -0.280 4.101 4.340 0.068 0.000 0.210 156 L C 1.086 177.994 176.870 0.063 0.000 1.076 156 L CA 2.852 57.740 54.840 0.080 0.000 0.749 156 L CB -0.276 41.850 42.059 0.112 0.000 0.893 156 L HN -0.583 7.638 8.230 0.095 0.067 0.432 157 I N -10.878 109.729 120.570 0.062 0.000 3.883 157 I HA 0.010 4.195 4.170 0.024 0.000 0.326 157 I C 0.093 176.249 176.117 0.065 0.000 1.283 157 I CA -0.471 60.850 61.300 0.035 0.000 1.161 157 I CB 0.110 38.100 38.000 -0.017 0.000 1.012 157 I HN -0.787 7.468 8.210 0.075 0.000 0.421 158 D N 2.115 122.566 120.400 0.085 0.000 2.092 158 D HA -0.406 4.332 4.640 0.164 0.000 0.193 158 D C 2.054 178.434 176.300 0.134 0.000 0.994 158 D CA 4.092 58.171 54.000 0.132 0.000 0.828 158 D CB -0.822 40.055 40.800 0.130 0.000 0.963 158 D HN -0.497 7.866 8.370 0.078 0.054 0.450 159 E N -1.262 118.990 120.200 0.087 0.000 2.058 159 E HA -0.298 4.091 4.350 0.065 0.000 0.194 159 E C 1.892 178.521 176.600 0.049 0.000 0.997 159 E CA 2.847 59.283 56.400 0.061 0.000 0.801 159 E CB -1.011 28.711 29.700 0.037 0.000 0.746 159 E HN 0.372 8.777 8.360 0.075 0.000 0.450 160 A N -1.206 121.640 122.820 0.043 0.000 1.930 160 A HA -0.163 4.148 4.320 -0.016 0.000 0.217 160 A C 2.514 180.128 177.584 0.050 0.000 1.175 160 A CA 2.548 54.593 52.037 0.013 0.000 0.627 160 A CB -0.738 18.261 19.000 -0.002 0.000 0.815 160 A HN -0.447 7.730 8.150 0.045 0.000 0.443 161 V N -0.247 119.760 119.914 0.155 0.000 2.307 161 V HA -0.503 3.909 4.120 0.485 0.000 0.245 161 V C 1.576 177.857 176.094 0.312 0.000 1.045 161 V CA 4.338 66.847 62.300 0.348 0.000 1.024 161 V CB -0.469 31.565 31.823 0.353 0.000 0.651 161 V HN -0.373 7.903 8.190 0.142 0.000 0.449 162 A N -1.595 121.338 122.820 0.188 0.000 1.933 162 A HA -0.331 4.032 4.320 0.071 0.000 0.218 162 A C 1.932 179.519 177.584 0.005 0.000 1.175 162 A CA 3.291 55.377 52.037 0.082 0.000 0.628 162 A CB -0.844 18.187 19.000 0.051 0.000 0.814 162 A HN -0.307 7.949 8.150 0.178 0.000 0.444 163 K N -1.494 118.896 120.400 -0.016 0.000 2.031 163 K HA -0.285 3.987 4.320 -0.079 0.000 0.205 163 K C 2.670 179.174 176.600 -0.158 0.000 1.049 163 K CA 2.970 59.209 56.287 -0.080 0.000 0.939 163 K CB -0.100 32.353 32.500 -0.078 0.000 0.717 163 K HN -0.443 7.810 8.250 0.004 0.000 0.438 164 E N 1.108 121.160 120.200 -0.246 0.000 2.110 164 E HA -0.224 3.824 4.350 -0.504 0.000 0.193 164 E C 1.225 177.420 176.600 -0.675 0.000 0.988 164 E CA 2.432 58.481 56.400 -0.585 0.000 0.804 164 E CB -0.075 29.014 29.700 -1.018 0.000 0.745 164 E HN -0.329 7.920 8.360 -0.184 0.000 0.458 165 W N -4.463 116.795 121.300 -0.071 0.000 2.966 165 W HA 0.190 4.803 4.660 -0.078 0.000 0.406 165 W C -1.335 175.094 176.519 -0.150 0.000 1.027 165 W CA -0.548 56.742 57.345 -0.091 0.000 1.930 165 W CB 0.197 29.617 29.460 -0.066 0.000 1.144 165 W HN -0.664 7.550 8.180 0.058 0.000 0.626 166 N N -3.321 115.352 118.700 -0.045 0.000 2.738 166 N HA -0.422 4.278 4.740 -0.120 -0.031 0.249 166 N C -0.902 174.479 175.510 -0.215 0.000 1.047 166 N CA 0.710 53.690 53.050 -0.116 0.000 0.707 166 N CB -1.980 36.445 38.487 -0.103 0.000 0.937 166 N HN -0.484 7.695 8.380 -0.070 0.159 0.545 167 L N -1.923 119.140 121.223 -0.266 0.000 2.375 167 L HA 0.245 4.117 4.340 -0.780 0.000 0.271 167 L C -1.906 174.646 176.870 -0.530 0.000 1.107 167 L CA -2.318 52.177 54.840 -0.575 0.000 0.806 167 L CB 0.073 41.788 42.059 -0.574 0.000 1.146 167 L HN -0.581 7.545 8.230 -0.173 0.000 0.447 168 P HA 0.016 4.251 4.420 -0.309 0.000 0.267 168 P C 0.470 177.621 177.300 -0.248 0.000 1.200 168 P CA -0.612 62.212 63.100 -0.460 0.000 0.772 168 P CB 0.739 32.133 31.700 -0.509 0.000 0.855 169 E N 2.150 122.292 120.200 -0.097 0.000 2.209 169 E HA -0.314 4.037 4.350 0.002 0.000 0.196 169 E C 0.589 177.236 176.600 0.080 0.000 0.993 169 E CA 2.445 58.843 56.400 -0.002 0.000 0.819 169 E CB -0.392 29.310 29.700 0.004 0.000 0.745 169 E HN 0.455 8.758 8.360 -0.094 0.000 0.477 170 S N -4.166 111.601 115.700 0.111 0.000 2.522 170 S HA -0.069 4.495 4.470 0.156 0.000 0.227 170 S C 0.159 174.966 174.600 0.344 0.000 0.986 170 S CA 0.080 58.400 58.200 0.200 0.000 0.929 170 S CB -0.131 63.184 63.200 0.191 0.000 0.769 170 S HN -0.399 7.914 8.310 0.069 0.039 0.529 171 W N 2.114 123.420 121.300 0.010 0.000 2.485 171 W HA 0.030 4.739 4.660 0.082 0.000 0.315 171 W C -0.608 176.067 176.519 0.259 0.000 1.304 171 W CA -1.279 56.093 57.345 0.045 0.000 1.345 171 W CB -0.767 28.517 29.460 -0.294 0.000 1.368 171 W HN -0.664 7.714 8.180 0.390 0.036 0.497 172 K N 5.009 125.683 120.400 0.457 0.000 2.281 172 K HA 0.216 4.740 4.320 0.341 0.000 0.272 172 K C -1.141 175.658 176.600 0.332 0.000 1.048 172 K CA -1.671 54.825 56.287 0.349 0.000 0.898 172 K CB 1.818 34.441 32.500 0.205 0.000 1.128 172 K HN 0.124 8.592 8.250 0.363 0.000 0.460 173 L N 7.264 128.636 121.223 0.248 0.000 2.455 173 L HA -0.144 3.939 4.340 -0.622 -0.116 0.272 173 L C -0.228 176.591 176.870 -0.085 0.000 1.174 173 L CA 1.431 56.155 54.840 -0.193 0.000 0.869 173 L CB 0.529 42.456 42.059 -0.221 0.000 1.130 173 L HN 0.705 9.113 8.230 0.296 0.000 0.474 174 R N 4.862 125.290 120.500 -0.120 0.000 2.369 174 R HA 0.339 4.707 4.340 0.045 0.000 0.210 174 R C -0.347 175.986 176.300 0.056 0.000 0.881 174 R CA -0.630 55.477 56.100 0.012 0.000 1.031 174 R CB 1.900 32.226 30.300 0.043 0.000 1.184 174 R HN 0.888 9.024 8.270 -0.223 0.000 0.581 175 G N -1.591 107.172 108.800 -0.063 0.000 2.579 175 G HA2 0.236 4.098 3.960 -0.163 0.000 0.292 175 G HA3 0.236 4.104 3.960 -0.357 -0.122 0.292 175 G C -3.076 171.744 174.900 -0.133 0.000 1.484 175 G CA 0.984 45.974 45.100 -0.183 0.000 0.813 175 G HN -0.831 7.382 8.290 -0.129 0.000 0.515 176 Q N 0.105 119.777 119.800 -0.212 0.000 2.303 176 Q HA 0.566 5.061 4.340 -0.025 -0.171 0.267 176 Q C -1.518 174.438 176.000 -0.073 0.000 1.011 176 Q CA -1.051 54.703 55.803 -0.082 0.000 0.740 176 Q CB 2.951 31.651 28.738 -0.063 0.000 1.250 176 Q HN 0.330 8.372 8.270 -0.379 0.000 0.458 177 L N 7.109 128.357 121.223 0.041 0.000 2.270 177 L HA 0.482 4.870 4.340 -0.211 -0.174 0.286 177 L C -1.939 174.988 176.870 0.095 0.000 1.059 177 L CA -1.019 53.799 54.840 -0.036 0.000 0.839 177 L CB 1.724 43.818 42.059 0.058 0.000 1.221 177 L HN 0.737 9.046 8.230 0.132 0.000 0.431 178 V N 8.509 128.445 119.914 0.036 0.000 2.488 178 V HA 0.229 4.608 4.120 0.178 -0.153 0.277 178 V C -0.944 175.248 176.094 0.162 0.000 1.046 178 V CA -0.044 62.325 62.300 0.114 0.000 0.986 178 V CB -0.429 31.415 31.823 0.035 0.000 0.989 178 V HN 0.268 8.416 8.190 -0.070 0.000 0.475 179 F N 2.886 122.864 119.950 0.045 0.000 2.613 179 F HA 0.980 5.685 4.527 0.032 -0.158 0.310 179 F C -2.044 173.831 175.800 0.126 0.000 1.085 179 F CA -2.681 55.355 58.000 0.061 0.000 0.945 179 F CB 3.985 43.020 39.000 0.058 0.000 1.298 179 F HN 0.484 8.760 8.300 -0.040 0.000 0.455 180 G N -1.845 107.045 108.800 0.151 0.000 2.325 180 G HA2 0.168 4.267 3.960 0.016 0.000 0.295 180 G HA3 0.168 4.148 3.960 0.033 0.000 0.295 180 G C -2.758 172.190 174.900 0.080 0.000 1.274 180 G CA 0.384 45.519 45.100 0.058 0.000 0.857 180 G HN 0.025 8.470 8.290 0.260 0.000 0.499 181 S N -0.220 115.498 115.700 0.031 0.000 2.564 181 S HA 0.079 4.566 4.470 0.027 0.000 0.278 181 S C 0.662 175.286 174.600 0.040 0.000 1.333 181 S CA 0.032 58.247 58.200 0.026 0.000 1.048 181 S CB 0.834 64.037 63.200 0.004 0.000 0.900 181 S HN -0.121 8.106 8.310 0.020 0.095 0.505 182 I N 4.060 124.654 120.570 0.041 0.000 2.452 182 I HA -0.118 4.082 4.170 0.050 0.000 0.287 182 I C 0.243 176.379 176.117 0.031 0.000 1.079 182 I CA 1.000 62.325 61.300 0.042 0.000 1.387 182 I CB -0.135 37.891 38.000 0.043 0.000 1.404 182 I HN 0.414 8.647 8.210 0.038 0.000 0.522 183 E N 7.119 127.338 120.200 0.031 0.000 2.490 183 E HA 0.158 4.520 4.350 0.020 0.000 0.209 183 E C -0.887 175.727 176.600 0.024 0.000 0.971 183 E CA -0.388 56.026 56.400 0.023 0.000 0.988 183 E CB 1.007 30.718 29.700 0.018 0.000 1.029 183 E HN 0.435 8.817 8.360 0.036 0.000 0.496 184 A N 0.083 122.922 122.820 0.032 0.000 2.604 184 A HA 0.355 4.692 4.320 0.027 0.000 0.295 184 A C -3.093 174.514 177.584 0.038 0.000 1.067 184 A CA -1.562 50.494 52.037 0.033 0.000 0.683 184 A CB 0.493 19.515 19.000 0.036 0.000 1.281 184 A HN -0.709 7.464 8.150 0.037 0.000 0.407 185 P HA 0.043 4.480 4.420 0.029 0.000 0.272 185 P C -1.038 176.284 177.300 0.038 0.000 1.230 185 P CA -0.665 62.454 63.100 0.031 0.000 0.788 185 P CB 0.485 32.200 31.700 0.025 0.000 0.949 186 A N 1.695 124.533 122.820 0.030 0.000 2.507 186 A HA -0.115 4.223 4.320 0.031 0.000 0.235 186 A C 1.360 178.965 177.584 0.035 0.000 1.070 186 A CA 0.278 52.332 52.037 0.027 0.000 0.768 186 A CB 0.699 19.704 19.000 0.009 0.000 1.011 186 A HN -0.115 8.050 8.150 0.025 0.000 0.502 187 G N 0.501 109.330 108.800 0.047 0.000 2.553 187 G HA2 0.059 4.054 3.960 0.057 0.000 0.278 187 G HA3 0.059 4.044 3.960 0.042 0.000 0.278 187 G C -0.977 173.934 174.900 0.018 0.000 1.349 187 G CA -0.748 44.378 45.100 0.043 0.000 1.037 187 G HN 0.306 8.631 8.290 0.059 0.000 0.508 188 E N -0.322 119.885 120.200 0.011 0.000 2.373 188 E HA 0.012 4.362 4.350 -0.001 0.000 0.263 188 E C -0.304 176.269 176.600 -0.045 0.000 1.073 188 E CA 0.632 57.028 56.400 -0.007 0.000 0.894 188 E CB 0.649 30.349 29.700 -0.000 0.000 1.008 188 E HN 0.124 8.495 8.360 0.017 0.000 0.420 189 K N 1.295 121.639 120.400 -0.093 0.000 2.525 189 K HA 0.273 4.477 4.320 -0.193 0.000 0.254 189 K C -1.336 175.054 176.600 -0.351 0.000 0.934 189 K CA -0.364 55.785 56.287 -0.230 0.000 0.802 189 K CB 1.746 34.066 32.500 -0.300 0.000 1.295 189 K HN -0.088 8.122 8.250 -0.067 0.000 0.433 190 T N 1.036 115.365 114.554 -0.374 0.000 2.936 190 T HA 0.230 4.473 4.350 -0.178 0.000 0.282 190 T C -1.024 173.312 174.700 -0.606 0.000 1.003 190 T CA -0.418 61.495 62.100 -0.312 0.000 1.005 190 T CB 0.912 69.716 68.868 -0.107 0.000 1.097 190 T HN -0.022 8.034 8.240 -0.306 0.000 0.532 191 F N -0.449 119.502 119.950 0.000 0.000 2.576 191 F HA 0.163 4.687 4.527 -0.004 0.000 0.313 191 F C -0.164 175.635 175.800 -0.002 0.000 1.078 191 F CA -0.791 57.209 58.000 0.001 0.000 0.921 191 F CB 1.865 40.873 39.000 0.012 0.000 1.232 191 F HN -0.184 8.217 8.300 0.169 0.000 0.459 192 M N 2.336 122.030 119.600 0.157 0.000 2.219 192 M HA -0.085 4.425 4.480 0.050 0.000 0.307 192 M C -0.376 175.978 176.300 0.090 0.000 1.116 192 M CA -0.169 55.175 55.300 0.074 0.000 1.181 192 M CB 0.372 32.975 32.600 0.006 0.000 1.410 192 M HN -0.033 8.344 8.290 0.145 0.000 0.454 193 D N 0.793 121.223 120.400 0.050 0.000 2.450 193 D HA -0.127 4.552 4.640 0.066 0.000 0.247 193 D C 0.654 176.981 176.300 0.045 0.000 1.162 193 D CA 0.421 54.451 54.000 0.050 0.000 0.879 193 D CB 1.333 42.152 40.800 0.031 0.000 1.163 193 D HN 0.305 8.695 8.370 0.034 0.000 0.472 194 D N 7.199 127.664 120.400 0.108 0.000 2.172 194 D HA -0.354 4.451 4.640 0.276 0.000 0.196 194 D C 1.104 177.489 176.300 0.143 0.000 0.999 194 D CA 3.313 57.449 54.000 0.226 0.000 0.856 194 D CB -0.087 40.885 40.800 0.288 0.000 0.934 194 D HN 0.491 8.929 8.370 0.113 0.000 0.453 195 A N -2.885 119.984 122.820 0.083 0.000 2.070 195 A HA -0.187 4.182 4.320 0.081 0.000 0.220 195 A C 1.127 178.718 177.584 0.012 0.000 1.159 195 A CA 2.060 54.131 52.037 0.057 0.000 0.656 195 A CB -0.242 18.781 19.000 0.039 0.000 0.800 195 A HN -0.395 8.089 8.150 0.072 -0.291 0.453 196 D N -2.373 118.012 120.400 -0.024 0.000 2.349 196 D HA -0.001 4.617 4.640 -0.037 0.000 0.215 196 D C 0.865 177.090 176.300 -0.125 0.000 1.016 196 D CA 1.055 55.021 54.000 -0.056 0.000 0.870 196 D CB 0.457 41.230 40.800 -0.046 0.000 0.917 196 D HN -0.361 7.858 8.370 -0.021 0.139 0.524 197 R N -3.221 117.135 120.500 -0.241 0.000 2.544 197 R HA 0.144 4.323 4.340 -0.268 0.000 0.303 197 R C 0.097 176.080 176.300 -0.529 0.000 0.939 197 R CA 0.317 56.161 56.100 -0.427 0.000 1.102 197 R CB 1.786 31.727 30.300 -0.598 0.000 1.440 197 R HN -0.659 7.365 8.270 -0.236 0.105 0.532 198 F N 1.087 121.041 119.950 0.006 0.000 2.507 198 F HA 0.247 4.776 4.527 0.003 0.000 0.328 198 F C -1.603 174.198 175.800 0.001 0.000 1.136 198 F CA -0.894 57.107 58.000 0.003 0.000 0.930 198 F CB 1.952 40.951 39.000 -0.001 0.000 1.166 198 F HN -0.472 7.781 8.300 -0.078 0.000 0.436 199 I N 4.177 124.851 120.570 0.173 0.000 2.436 199 I HA 0.260 4.486 4.170 0.092 0.000 0.289 199 I C -0.816 175.350 176.117 0.083 0.000 1.010 199 I CA -0.460 60.900 61.300 0.099 0.000 1.098 199 I CB 1.815 39.850 38.000 0.058 0.000 1.266 199 I HN 0.180 8.494 8.210 0.172 0.000 0.434 200 V N 7.333 127.281 119.914 0.057 0.000 2.417 200 V HA 0.227 4.366 4.120 0.031 0.000 0.291 200 V C -0.819 175.288 176.094 0.021 0.000 1.024 200 V CA -0.029 62.290 62.300 0.031 0.000 0.861 200 V CB 1.168 32.999 31.823 0.013 0.000 0.985 200 V HN 0.273 8.496 8.190 0.055 0.000 0.436 201 A N 7.104 129.933 122.820 0.016 0.000 2.435 201 A HA 0.407 4.733 4.320 0.010 0.000 0.304 201 A C -1.299 176.288 177.584 0.005 0.000 1.064 201 A CA -0.120 51.923 52.037 0.011 0.000 0.727 201 A CB 0.932 19.940 19.000 0.013 0.000 1.284 201 A HN 0.063 8.222 8.150 0.016 0.000 0.415 202 K N 0.000 120.402 120.400 0.003 0.000 2.780 202 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 202 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 202 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 202 K HN 0.000 8.252 8.250 0.003 0.000 0.543