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 3lgv_1_F DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRGLNT NSHNQLEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPYNLGQTI TQGIISATGR IGLNPTGRQN DATA SEQUENCE FLQTDASINP GNSGGALVNS LGELMGINTL SFDXXXXXXT PEGIGFAIPF DATA SEQUENCE QLATKIMDKL IRD 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 39 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 39 S C 0.000 174.595 174.600 -0.008 0.000 1.055 39 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 39 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 40 T N 0.504 115.054 114.554 -0.007 0.000 2.822 40 T HA -0.217 4.129 4.350 -0.007 0.000 0.270 40 T C 0.460 175.156 174.700 -0.007 0.000 1.064 40 T CA 2.239 64.335 62.100 -0.007 0.000 1.131 40 T CB -0.365 68.500 68.868 -0.005 0.000 0.858 40 T HN -0.134 8.103 8.240 -0.006 0.000 0.483 41 D N -0.033 120.363 120.400 -0.007 0.000 2.249 41 D HA 0.109 4.745 4.640 -0.007 0.000 0.205 41 D C 0.111 176.406 176.300 -0.009 0.000 0.962 41 D CA 0.448 54.444 54.000 -0.007 0.000 0.860 41 D CB 0.143 40.939 40.800 -0.006 0.000 0.955 41 D HN 0.279 8.614 8.370 -0.006 0.031 0.505 42 E N -0.805 119.389 120.200 -0.010 0.000 2.397 42 E HA 0.068 4.411 4.350 -0.012 0.000 0.254 42 E C -0.660 175.930 176.600 -0.016 0.000 1.231 42 E CA 0.338 56.730 56.400 -0.013 0.000 0.954 42 E CB 0.808 30.500 29.700 -0.013 0.000 1.024 42 E HN -0.619 7.622 8.360 -0.010 0.114 0.481 43 T N 2.524 117.066 114.554 -0.020 0.000 2.847 43 T HA 0.277 4.613 4.350 -0.023 0.000 0.291 43 T C -2.147 172.531 174.700 -0.036 0.000 0.998 43 T CA -2.236 59.849 62.100 -0.025 0.000 0.967 43 T CB 0.386 69.240 68.868 -0.024 0.000 0.954 43 T HN 0.021 8.249 8.240 -0.021 0.000 0.441 44 P HA 0.014 4.405 4.420 -0.049 0.000 0.263 44 P C -0.630 176.621 177.300 -0.081 0.000 1.195 44 P CA -0.463 62.606 63.100 -0.052 0.000 0.762 44 P CB 0.180 31.853 31.700 -0.045 0.000 0.799 45 A N 3.488 126.247 122.820 -0.101 0.000 2.567 45 A HA -0.088 4.135 4.320 -0.161 0.000 0.240 45 A C -0.329 177.110 177.584 -0.243 0.000 1.053 45 A CA 0.682 52.618 52.037 -0.168 0.000 0.755 45 A CB 0.246 19.146 19.000 -0.168 0.000 0.978 45 A HN 0.058 8.157 8.150 -0.085 0.000 0.507 46 S N 2.121 117.624 115.700 -0.328 0.000 2.550 46 S HA 0.107 4.375 4.470 -0.337 0.000 0.270 46 S C -1.034 173.324 174.600 -0.404 0.000 1.145 46 S CA -0.217 57.791 58.200 -0.321 0.000 0.852 46 S CB 0.906 64.026 63.200 -0.132 0.000 1.119 46 S HN -0.128 7.988 8.310 -0.323 0.000 0.465 47 Y N 2.010 122.312 120.300 0.003 0.000 2.636 47 Y HA 0.176 4.727 4.550 0.002 0.000 0.260 47 Y C 0.196 176.097 175.900 0.002 0.000 1.177 47 Y CA -0.716 57.386 58.100 0.002 0.000 1.209 47 Y CB 0.110 38.572 38.460 0.002 0.000 1.166 47 Y HN 0.216 8.442 8.280 -0.089 0.000 0.531 48 N N 1.512 120.264 118.700 0.086 0.000 2.149 48 N HA -0.381 4.399 4.740 0.066 0.000 0.188 48 N C 1.125 176.669 175.510 0.056 0.000 1.019 48 N CA 3.598 56.683 53.050 0.059 0.000 0.857 48 N CB 0.261 38.762 38.487 0.024 0.000 0.997 48 N HN -0.486 7.845 8.380 0.032 0.069 0.426 49 L N -0.876 120.380 121.223 0.055 0.000 2.043 49 L HA -0.276 4.084 4.340 0.033 0.000 0.212 49 L C 1.109 178.008 176.870 0.048 0.000 1.075 49 L CA 2.825 57.693 54.840 0.045 0.000 0.752 49 L CB -0.286 41.799 42.059 0.044 0.000 0.891 49 L HN -0.165 8.090 8.230 0.054 0.008 0.432 50 A N -3.030 119.832 122.820 0.070 0.000 2.015 50 A HA -0.328 4.009 4.320 0.028 0.000 0.219 50 A C 1.914 179.517 177.584 0.033 0.000 1.163 50 A CA 2.830 54.894 52.037 0.045 0.000 0.646 50 A CB -0.765 18.262 19.000 0.045 0.000 0.806 50 A HN -0.510 7.702 8.150 0.104 0.000 0.448 51 V N -1.242 118.701 119.914 0.048 0.000 2.323 51 V HA -0.532 3.606 4.120 0.030 0.000 0.244 51 V C 2.261 178.372 176.094 0.027 0.000 1.041 51 V CA 3.877 66.199 62.300 0.037 0.000 1.025 51 V CB -0.201 31.651 31.823 0.048 0.000 0.656 51 V HN -0.829 7.264 8.190 0.065 0.136 0.451 52 R N -0.978 119.538 120.500 0.028 0.000 2.152 52 R HA -0.286 4.066 4.340 0.021 0.000 0.232 52 R C 2.039 178.349 176.300 0.016 0.000 1.117 52 R CA 3.355 59.468 56.100 0.021 0.000 0.981 52 R CB -0.270 30.042 30.300 0.020 0.000 0.870 52 R HN -0.183 8.106 8.270 0.032 0.000 0.451 53 R N -3.233 117.276 120.500 0.014 0.000 2.066 53 R HA -0.118 4.225 4.340 0.006 0.000 0.224 53 R C 0.865 177.166 176.300 0.002 0.000 1.122 53 R CA 2.605 58.709 56.100 0.006 0.000 0.974 53 R CB 0.366 30.668 30.300 0.002 0.000 0.871 53 R HN -0.659 7.597 8.270 0.017 0.024 0.435 54 A N -2.918 119.903 122.820 0.002 0.000 1.920 54 A HA 0.130 4.445 4.320 -0.007 0.000 0.209 54 A C 1.442 179.030 177.584 0.006 0.000 1.229 54 A CA 1.575 53.610 52.037 -0.003 0.000 0.671 54 A CB 0.393 19.386 19.000 -0.012 0.000 0.886 54 A HN -0.501 7.652 8.150 0.005 0.000 0.461 55 A N -0.276 122.551 122.820 0.011 0.000 1.903 55 A HA -0.164 4.165 4.320 0.015 0.000 0.219 55 A C -1.129 176.468 177.584 0.021 0.000 1.191 55 A CA 4.378 56.425 52.037 0.017 0.000 0.638 55 A CB -2.457 16.555 19.000 0.021 0.000 0.823 55 A HN -0.034 8.123 8.150 0.013 0.000 0.451 56 P HA -0.214 4.225 4.420 0.032 0.000 0.226 56 P C -0.324 176.995 177.300 0.031 0.000 1.146 56 P CA 1.582 64.699 63.100 0.028 0.000 0.773 56 P CB -0.532 31.184 31.700 0.026 0.000 0.772 57 A N -5.283 117.552 122.820 0.024 0.000 2.195 57 A HA 0.199 4.537 4.320 0.030 0.000 0.210 57 A C -1.256 176.344 177.584 0.027 0.000 1.165 57 A CA -0.596 51.456 52.037 0.025 0.000 0.806 57 A CB 1.145 20.154 19.000 0.016 0.000 0.847 57 A HN -0.564 7.548 8.150 0.019 0.049 0.482 58 V N 0.839 120.767 119.914 0.024 0.000 2.432 58 V HA 0.224 4.519 4.120 0.021 -0.162 0.271 58 V C -0.265 175.846 176.094 0.028 0.000 1.046 58 V CA 0.417 62.729 62.300 0.021 0.000 0.945 58 V CB 0.405 32.236 31.823 0.014 0.000 0.992 58 V HN -0.587 7.507 8.190 0.023 0.110 0.471 59 V N 0.908 120.839 119.914 0.028 0.000 2.975 59 V HA 0.500 4.652 4.120 0.053 0.000 0.318 59 V C -1.233 174.863 176.094 0.004 0.000 1.077 59 V CA -3.285 59.039 62.300 0.040 0.000 1.000 59 V CB 2.642 34.504 31.823 0.066 0.000 1.066 59 V HN 0.141 8.345 8.190 0.024 0.000 0.452 60 N N 1.698 120.402 118.700 0.006 0.000 2.434 60 N HA 0.239 4.881 4.740 -0.163 0.000 0.272 60 N C -0.682 174.709 175.510 -0.198 0.000 1.040 60 N CA -1.109 51.866 53.050 -0.126 0.000 0.956 60 N CB 0.879 39.316 38.487 -0.082 0.000 1.108 60 N HN -0.118 8.296 8.380 0.057 0.000 0.481 61 V N 3.442 123.168 119.914 -0.313 0.000 2.427 61 V HA 0.366 4.596 4.120 -0.069 -0.151 0.286 61 V C -1.097 174.748 176.094 -0.414 0.000 1.034 61 V CA -0.684 61.487 62.300 -0.214 0.000 0.893 61 V CB 1.272 33.041 31.823 -0.090 0.000 0.982 61 V HN 0.016 7.916 8.190 -0.311 0.103 0.452 62 Y N 5.692 126.011 120.300 0.032 0.000 2.350 62 Y HA 0.232 4.798 4.550 0.026 0.000 0.338 62 Y C -1.626 174.291 175.900 0.028 0.000 0.961 62 Y CA -1.434 56.682 58.100 0.028 0.000 1.100 62 Y CB 2.569 41.044 38.460 0.025 0.000 1.179 62 Y HN 0.705 9.093 8.280 0.180 0.000 0.454 63 N N 4.006 122.793 118.700 0.146 0.000 2.437 63 N HA 0.392 5.190 4.740 0.095 0.000 0.259 63 N C -1.400 174.169 175.510 0.099 0.000 0.983 63 N CA -1.222 51.888 53.050 0.100 0.000 0.937 63 N CB 1.837 40.362 38.487 0.064 0.000 1.122 63 N HN 0.463 8.918 8.380 0.126 0.000 0.499 64 R N 4.362 124.912 120.500 0.083 0.000 2.803 64 R HA 0.782 5.297 4.340 0.067 -0.135 0.276 64 R C -1.280 175.048 176.300 0.047 0.000 0.978 64 R CA -1.787 54.352 56.100 0.064 0.000 0.939 64 R CB 4.477 34.810 30.300 0.055 0.000 1.179 64 R HN 0.277 8.595 8.270 0.079 0.000 0.472 65 G N -1.577 107.247 108.800 0.039 0.000 2.720 65 G HA2 0.460 4.522 3.960 0.030 0.000 0.295 65 G HA3 0.460 4.438 3.960 0.031 0.000 0.295 65 G C -2.467 172.449 174.900 0.027 0.000 1.437 65 G CA -0.306 44.813 45.100 0.031 0.000 0.886 65 G HN 0.076 8.390 8.290 0.040 0.000 0.509 66 L N 0.594 121.831 121.223 0.023 0.000 2.499 66 L HA -0.136 4.430 4.340 0.024 -0.211 0.273 66 L C 0.024 176.905 176.870 0.018 0.000 1.195 66 L CA 0.303 55.156 54.840 0.022 0.000 0.882 66 L CB 0.097 42.168 42.059 0.020 0.000 1.133 66 L HN -0.221 8.167 8.230 0.022 -0.145 0.483 67 N N 3.347 122.058 118.700 0.018 0.000 2.439 67 N HA 0.127 4.872 4.740 0.007 0.000 0.249 67 N C 0.161 175.665 175.510 -0.009 0.000 1.003 67 N CA -0.823 52.232 53.050 0.007 0.000 0.942 67 N CB 1.784 40.277 38.487 0.010 0.000 1.115 67 N HN -0.116 8.278 8.380 0.023 0.000 0.505 68 T N 4.752 119.298 114.554 -0.014 0.000 2.867 68 T HA -0.243 4.093 4.350 -0.022 0.000 0.268 68 T C 1.673 176.338 174.700 -0.058 0.000 1.057 68 T CA 2.882 64.966 62.100 -0.026 0.000 1.136 68 T CB -0.301 68.556 68.868 -0.017 0.000 0.874 68 T HN 0.535 8.771 8.240 -0.008 0.000 0.466 69 N N -0.072 118.593 118.700 -0.058 0.000 2.166 69 N HA -0.146 4.543 4.740 -0.085 0.000 0.186 69 N C 0.255 175.663 175.510 -0.171 0.000 1.019 69 N CA 1.854 54.853 53.050 -0.086 0.000 0.856 69 N CB 0.142 38.598 38.487 -0.051 0.000 0.993 69 N HN -0.331 8.222 8.380 -0.039 -0.196 0.426 70 S N -0.917 114.689 115.700 -0.157 0.000 2.060 70 S HA 0.277 4.436 4.470 -0.518 0.000 0.156 70 S C -1.244 173.276 174.600 -0.134 0.000 1.690 70 S CA -0.719 57.335 58.200 -0.243 0.000 1.238 70 S CB -0.489 62.698 63.200 -0.021 0.000 1.150 70 S HN -0.699 7.556 8.310 -0.091 0.000 0.437 71 H N -0.475 118.598 119.070 0.006 0.000 2.899 71 H HA -0.397 4.162 4.556 0.005 0.000 0.282 71 H C -0.732 174.599 175.328 0.006 0.000 1.198 71 H CA 1.034 57.085 56.048 0.005 0.000 1.140 71 H CB -2.672 27.093 29.762 0.004 0.000 1.317 71 H HN 0.486 8.481 8.280 -0.474 0.000 0.375 72 N N -7.167 111.566 118.700 0.055 0.000 2.727 72 N HA -0.528 4.361 4.740 0.025 -0.134 0.249 72 N C -1.617 173.925 175.510 0.054 0.000 1.048 72 N CA 0.949 54.024 53.050 0.043 0.000 0.714 72 N CB -2.168 36.342 38.487 0.038 0.000 0.959 72 N HN -0.003 8.359 8.380 0.007 0.022 0.544 73 Q N -2.979 116.860 119.800 0.065 0.000 2.364 73 Q HA -0.037 4.336 4.340 0.056 0.000 0.267 73 Q C -1.041 174.981 176.000 0.037 0.000 0.999 73 Q CA -0.550 55.287 55.803 0.057 0.000 0.886 73 Q CB 1.118 29.898 28.738 0.069 0.000 1.243 73 Q HN -0.565 7.739 8.270 0.069 0.007 0.415 74 L N 4.118 125.358 121.223 0.029 0.000 2.282 74 L HA 0.156 4.512 4.340 0.025 0.000 0.287 74 L C -0.822 176.060 176.870 0.021 0.000 1.075 74 L CA -0.692 54.162 54.840 0.023 0.000 0.839 74 L CB -0.180 41.889 42.059 0.017 0.000 1.219 74 L HN 0.145 8.391 8.230 0.027 0.000 0.434 75 E N 5.864 126.080 120.200 0.027 0.000 2.445 75 E HA 0.267 4.629 4.350 0.019 0.000 0.273 75 E C -1.667 174.958 176.600 0.041 0.000 0.961 75 E CA -2.646 53.771 56.400 0.028 0.000 0.807 75 E CB 3.429 33.147 29.700 0.030 0.000 1.362 75 E HN -0.242 8.135 8.360 0.029 0.000 0.453 76 I N -0.369 120.231 120.570 0.051 0.000 2.436 76 I HA -0.102 4.251 4.170 0.090 -0.128 0.289 76 I C 0.548 176.709 176.117 0.073 0.000 1.083 76 I CA 1.548 62.897 61.300 0.082 0.000 1.372 76 I CB -0.892 37.180 38.000 0.120 0.000 1.408 76 I HN 0.379 8.615 8.210 0.044 0.000 0.516 77 R N 9.567 130.108 120.500 0.069 0.000 2.075 77 R HA 0.107 4.476 4.340 0.049 0.000 0.220 77 R C 0.254 176.587 176.300 0.056 0.000 1.118 77 R CA 0.821 56.954 56.100 0.055 0.000 0.986 77 R CB 1.140 31.468 30.300 0.047 0.000 0.884 77 R HN 0.624 8.937 8.270 0.072 0.000 0.439 78 T N -0.821 113.770 114.554 0.061 0.000 2.923 78 T HA 0.350 4.723 4.350 0.039 0.000 0.311 78 T C -2.776 171.947 174.700 0.037 0.000 1.183 78 T CA -1.165 60.962 62.100 0.045 0.000 1.020 78 T CB 2.906 71.797 68.868 0.039 0.000 1.165 78 T HN -0.586 7.696 8.240 0.071 0.000 0.482 79 L N -0.331 120.889 121.223 -0.005 0.000 2.445 79 L HA 0.909 5.304 4.340 -0.108 -0.119 0.262 79 L C -1.675 175.119 176.870 -0.126 0.000 0.974 79 L CA -1.342 53.444 54.840 -0.091 0.000 0.822 79 L CB 3.464 45.464 42.059 -0.098 0.000 1.339 79 L HN 0.130 8.354 8.230 -0.009 0.000 0.409 80 G N 0.402 109.096 108.800 -0.176 0.000 2.976 80 G HA2 0.597 4.598 3.960 -0.125 0.000 0.276 80 G HA3 0.597 4.504 3.960 -0.088 0.000 0.276 80 G C -1.967 172.840 174.900 -0.155 0.000 1.207 80 G CA 0.119 45.140 45.100 -0.132 0.000 0.803 80 G HN 0.239 8.392 8.290 -0.229 0.000 0.572 81 S N -0.729 114.917 115.700 -0.090 0.000 2.634 81 S HA 0.946 5.494 4.470 -0.093 -0.133 0.296 81 S C -0.883 173.698 174.600 -0.032 0.000 1.104 81 S CA -1.608 56.550 58.200 -0.069 0.000 0.920 81 S CB 3.883 67.055 63.200 -0.047 0.000 1.111 81 S HN 0.566 8.838 8.310 -0.064 0.000 0.493 82 G N -1.266 107.525 108.800 -0.014 0.000 2.725 82 G HA2 0.876 5.083 3.960 0.014 0.000 0.288 82 G HA3 0.876 4.843 3.960 0.012 0.000 0.288 82 G C -2.942 171.969 174.900 0.019 0.000 1.399 82 G CA -0.637 44.468 45.100 0.009 0.000 0.859 82 G HN 0.140 8.421 8.290 -0.016 0.000 0.479 83 V N -0.276 119.655 119.914 0.028 0.000 2.577 83 V HA 0.388 4.666 4.120 0.026 -0.143 0.303 83 V C -1.105 175.010 176.094 0.036 0.000 1.042 83 V CA -1.399 60.919 62.300 0.030 0.000 0.872 83 V CB 3.760 35.602 31.823 0.031 0.000 0.998 83 V HN 0.232 8.442 8.190 0.033 0.000 0.423 84 I N 7.027 127.616 120.570 0.031 0.000 2.396 84 I HA -0.056 4.254 4.170 0.034 -0.119 0.289 84 I C 0.018 176.156 176.117 0.035 0.000 1.056 84 I CA 1.039 62.356 61.300 0.030 0.000 1.365 84 I CB 0.047 38.057 38.000 0.016 0.000 1.407 84 I HN 0.251 8.478 8.210 0.028 0.000 0.509 85 M N 5.807 125.439 119.600 0.055 0.000 2.447 85 M HA 0.056 4.561 4.480 0.042 0.000 0.266 85 M C -0.054 176.278 176.300 0.052 0.000 1.120 85 M CA -0.252 55.081 55.300 0.055 0.000 1.166 85 M CB 0.405 33.046 32.600 0.068 0.000 1.349 85 M HN 0.529 8.862 8.290 0.071 0.000 0.463 86 D N -5.255 115.186 120.400 0.068 0.000 2.677 86 D HA 0.159 4.821 4.640 0.037 0.000 0.298 86 D C 0.039 176.363 176.300 0.040 0.000 1.250 86 D CA -0.942 53.091 54.000 0.056 0.000 0.888 86 D CB 0.539 41.382 40.800 0.071 0.000 1.397 86 D HN -0.854 7.567 8.370 0.084 0.000 0.461 87 Q N -2.771 117.045 119.800 0.027 0.000 2.291 87 Q HA -0.222 4.111 4.340 -0.010 0.000 0.206 87 Q C 0.823 176.811 176.000 -0.020 0.000 0.976 87 Q CA 2.434 58.238 55.803 0.001 0.000 0.875 87 Q CB -0.309 28.432 28.738 0.005 0.000 0.927 87 Q HN 0.366 8.655 8.270 0.030 0.000 0.450 88 R N -3.410 117.098 120.500 0.014 0.000 2.280 88 R HA -0.112 4.196 4.340 -0.054 0.000 0.207 88 R C 0.349 176.524 176.300 -0.209 0.000 1.043 88 R CA 0.444 56.521 56.100 -0.038 0.000 1.006 88 R CB 0.604 30.972 30.300 0.115 0.000 0.885 88 R HN -0.676 7.750 8.270 0.065 -0.117 0.467 89 G N -3.375 105.327 108.800 -0.164 0.000 2.130 89 G HA2 -0.404 3.443 3.960 -0.188 0.000 0.216 89 G HA3 -0.404 3.366 3.960 -0.317 0.000 0.216 89 G C -0.625 174.115 174.900 -0.267 0.000 0.999 89 G CA -0.106 44.847 45.100 -0.245 0.000 0.686 89 G HN -0.432 7.766 8.290 -0.073 0.048 0.515 90 Y N 0.305 120.576 120.300 -0.048 0.000 2.359 90 Y HA 0.203 4.912 4.550 -0.033 -0.179 0.334 90 Y C -0.895 174.992 175.900 -0.022 0.000 1.058 90 Y CA 0.624 58.705 58.100 -0.031 0.000 1.244 90 Y CB 0.788 39.235 38.460 -0.020 0.000 1.187 90 Y HN -1.057 7.422 8.280 0.064 -0.160 0.510 91 I N 2.073 122.724 120.570 0.134 0.000 2.509 91 I HA 0.704 5.112 4.170 0.072 -0.195 0.293 91 I C -0.831 175.334 176.117 0.080 0.000 1.020 91 I CA -1.723 59.624 61.300 0.078 0.000 1.088 91 I CB 3.738 41.762 38.000 0.040 0.000 1.267 91 I HN 0.259 8.554 8.210 0.141 0.000 0.430 92 I N 5.886 126.494 120.570 0.062 0.000 2.428 92 I HA 0.569 4.918 4.170 0.053 -0.148 0.296 92 I C -0.785 175.358 176.117 0.043 0.000 0.985 92 I CA -0.685 60.646 61.300 0.052 0.000 1.260 92 I CB 2.080 40.109 38.000 0.049 0.000 1.389 92 I HN 0.314 8.559 8.210 0.058 0.000 0.484 93 T N 5.007 119.585 114.554 0.039 0.000 2.598 93 T HA 0.346 4.715 4.350 0.031 0.000 0.289 93 T C -2.115 172.609 174.700 0.040 0.000 1.056 93 T CA -2.603 59.517 62.100 0.033 0.000 1.088 93 T CB 1.393 70.276 68.868 0.025 0.000 1.519 93 T HN 0.310 8.574 8.240 0.040 0.000 0.488 94 N N 0.500 119.225 118.700 0.041 0.000 2.419 94 N HA 0.235 5.017 4.740 0.071 0.000 0.277 94 N C 0.900 176.441 175.510 0.051 0.000 1.006 94 N CA -0.440 52.648 53.050 0.063 0.000 0.923 94 N CB 1.586 40.120 38.487 0.078 0.000 1.140 94 N HN 0.318 8.718 8.380 0.033 0.000 0.488 95 K N 6.219 126.637 120.400 0.031 0.000 2.113 95 K HA -0.388 3.912 4.320 -0.033 0.000 0.208 95 K C 1.080 177.633 176.600 -0.078 0.000 1.047 95 K CA 3.009 59.269 56.287 -0.046 0.000 0.928 95 K CB 0.037 32.470 32.500 -0.111 0.000 0.716 95 K HN 0.064 8.341 8.250 0.044 0.000 0.446 96 H N -3.024 116.057 119.070 0.018 0.000 2.462 96 H HA -0.139 4.426 4.556 0.015 0.000 0.292 96 H C 2.255 177.589 175.328 0.010 0.000 1.049 96 H CA 2.781 58.838 56.048 0.015 0.000 1.334 96 H CB 0.006 29.777 29.762 0.015 0.000 1.404 96 H HN -0.448 7.906 8.280 0.149 0.016 0.544 97 V N -2.313 117.667 119.914 0.110 0.000 2.515 97 V HA -0.297 3.857 4.120 0.056 0.000 0.250 97 V C 0.501 176.619 176.094 0.040 0.000 1.058 97 V CA 2.806 65.139 62.300 0.056 0.000 1.064 97 V CB 0.620 32.458 31.823 0.026 0.000 0.675 97 V HN -0.444 7.690 8.190 0.107 0.121 0.461 98 I N -10.869 109.718 120.570 0.029 0.000 4.025 98 I HA 0.116 4.304 4.170 0.030 0.000 0.336 98 I C -0.891 175.233 176.117 0.012 0.000 1.390 98 I CA -1.661 59.652 61.300 0.022 0.000 1.099 98 I CB 0.342 38.353 38.000 0.020 0.000 1.049 98 I HN -0.919 7.284 8.210 0.024 0.022 0.394 99 N N 2.926 121.628 118.700 0.002 0.000 2.492 99 N HA -0.111 4.618 4.740 -0.019 0.000 0.262 99 N C -0.465 175.052 175.510 0.011 0.000 1.202 99 N CA 1.210 54.255 53.050 -0.009 0.000 0.926 99 N CB 0.086 38.555 38.487 -0.031 0.000 1.078 99 N HN -0.726 7.657 8.380 0.006 0.000 0.454 100 D N -3.237 117.168 120.400 0.008 0.000 2.723 100 D HA -0.347 4.300 4.640 0.012 0.000 0.236 100 D C -1.570 174.743 176.300 0.022 0.000 1.138 100 D CA 1.248 55.256 54.000 0.014 0.000 0.676 100 D CB -1.347 39.464 40.800 0.018 0.000 1.069 100 D HN 0.212 8.583 8.370 0.001 0.000 0.430 101 A N -3.098 119.736 122.820 0.023 0.000 2.290 101 A HA 0.092 4.532 4.320 0.034 -0.100 0.310 101 A C -0.594 177.007 177.584 0.028 0.000 1.202 101 A CA -0.942 51.113 52.037 0.030 0.000 0.837 101 A CB 1.583 20.604 19.000 0.036 0.000 1.139 101 A HN -0.566 7.595 8.150 0.019 0.000 0.509 102 D N 2.147 122.564 120.400 0.029 0.000 2.305 102 D HA -0.046 4.608 4.640 0.023 0.000 0.206 102 D C 0.285 176.603 176.300 0.029 0.000 0.974 102 D CA 2.038 56.053 54.000 0.026 0.000 0.871 102 D CB 1.181 41.996 40.800 0.024 0.000 0.947 102 D HN 0.036 8.425 8.370 0.032 0.000 0.516 103 Q N -1.822 118.000 119.800 0.037 0.000 2.313 103 Q HA 0.230 4.593 4.340 0.039 0.000 0.260 103 Q C -2.590 173.445 176.000 0.057 0.000 0.972 103 Q CA -0.021 55.807 55.803 0.042 0.000 0.886 103 Q CB 3.451 32.212 28.738 0.037 0.000 1.373 103 Q HN -0.743 7.525 8.270 0.040 0.026 0.416 104 I N 6.213 126.820 120.570 0.061 0.000 2.339 104 I HA 0.523 4.900 4.170 0.089 -0.153 0.290 104 I C -1.207 174.971 176.117 0.101 0.000 0.994 104 I CA -0.925 60.423 61.300 0.079 0.000 1.191 104 I CB 1.459 39.497 38.000 0.063 0.000 1.343 104 I HN 0.619 8.862 8.210 0.055 0.000 0.458 105 I N 7.112 127.769 120.570 0.145 0.000 2.530 105 I HA 0.509 4.890 4.170 0.139 -0.128 0.297 105 I C -1.451 174.807 176.117 0.235 0.000 1.011 105 I CA -1.371 60.031 61.300 0.169 0.000 1.107 105 I CB 3.354 41.436 38.000 0.136 0.000 1.285 105 I HN 0.548 8.860 8.210 0.171 0.000 0.436 106 V N 5.939 125.983 119.914 0.217 0.000 2.531 106 V HA 0.639 5.063 4.120 0.207 -0.180 0.301 106 V C -2.186 174.048 176.094 0.233 0.000 1.034 106 V CA -1.958 60.474 62.300 0.220 0.000 0.865 106 V CB 3.596 35.533 31.823 0.190 0.000 0.995 106 V HN 0.342 8.653 8.190 0.203 0.000 0.424 107 A N 7.345 130.304 122.820 0.232 0.000 2.304 107 A HA 0.833 5.388 4.320 0.124 -0.161 0.314 107 A C -1.715 175.957 177.584 0.146 0.000 1.187 107 A CA -2.170 49.973 52.037 0.177 0.000 0.810 107 A CB 2.728 21.860 19.000 0.220 0.000 1.183 107 A HN 0.484 8.777 8.150 0.238 0.000 0.487 108 L N 2.809 124.109 121.223 0.128 0.000 2.468 108 L HA 0.106 4.511 4.340 0.110 0.000 0.254 108 L C 1.844 178.760 176.870 0.077 0.000 1.171 108 L CA -0.316 54.592 54.840 0.113 0.000 0.809 108 L CB 1.357 43.502 42.059 0.144 0.000 1.155 108 L HN 0.063 8.363 8.230 0.117 0.000 0.473 109 Q N 0.710 120.549 119.800 0.065 0.000 2.311 109 Q HA -0.226 4.144 4.340 0.050 0.000 0.203 109 Q C 0.408 176.432 176.000 0.040 0.000 0.954 109 Q CA 2.189 58.021 55.803 0.049 0.000 0.885 109 Q CB -0.364 28.399 28.738 0.043 0.000 0.963 109 Q HN 0.902 9.211 8.270 0.066 0.000 0.471 110 D N -5.480 114.946 120.400 0.043 0.000 2.336 110 D HA -0.051 4.605 4.640 0.027 0.000 0.229 110 D C 0.610 176.920 176.300 0.016 0.000 1.061 110 D CA -0.428 53.592 54.000 0.032 0.000 0.875 110 D CB -0.793 40.031 40.800 0.040 0.000 0.904 110 D HN -0.557 7.818 8.370 0.054 0.027 0.525 111 G N -0.543 108.264 108.800 0.011 0.000 2.213 111 G HA2 -0.447 3.508 3.960 -0.009 0.000 0.226 111 G HA3 -0.447 3.503 3.960 -0.017 0.000 0.226 111 G C -0.295 174.570 174.900 -0.058 0.000 0.992 111 G CA -0.204 44.887 45.100 -0.015 0.000 0.632 111 G HN -0.595 7.647 8.290 0.023 0.062 0.511 112 R N 0.835 121.292 120.500 -0.072 0.000 2.594 112 R HA -0.002 4.182 4.340 -0.260 0.000 0.272 112 R C -1.260 174.866 176.300 -0.290 0.000 1.074 112 R CA 0.480 56.444 56.100 -0.226 0.000 1.105 112 R CB 1.189 31.364 30.300 -0.208 0.000 1.008 112 R HN -0.347 8.132 8.270 -0.025 -0.224 0.472 113 V N 1.799 121.413 119.914 -0.500 0.000 2.577 113 V HA 0.689 4.880 4.120 -0.176 -0.176 0.303 113 V C -0.494 175.274 176.094 -0.542 0.000 1.042 113 V CA -1.303 60.792 62.300 -0.341 0.000 0.872 113 V CB 2.418 34.136 31.823 -0.176 0.000 0.998 113 V HN 0.030 7.864 8.190 -0.594 0.000 0.423 114 F N 5.585 125.549 119.950 0.022 0.000 2.598 114 F HA 0.395 4.926 4.527 0.006 0.000 0.327 114 F C -1.334 174.477 175.800 0.019 0.000 1.057 114 F CA -1.719 56.288 58.000 0.013 0.000 0.957 114 F CB 4.141 43.144 39.000 0.006 0.000 1.278 114 F HN 0.433 8.807 8.300 0.123 0.000 0.484 115 E N 1.640 121.972 120.200 0.219 0.000 2.174 115 E HA 0.396 4.942 4.350 0.120 -0.124 0.282 115 E C -1.413 175.254 176.600 0.112 0.000 0.992 115 E CA -0.838 55.640 56.400 0.131 0.000 0.803 115 E CB 1.625 31.374 29.700 0.083 0.000 1.090 115 E HN 0.252 8.750 8.360 0.230 0.000 0.396 116 A N 6.311 129.184 122.820 0.088 0.000 2.295 116 A HA 0.750 5.263 4.320 0.026 -0.177 0.318 116 A C -1.995 175.608 177.584 0.032 0.000 1.134 116 A CA -1.429 50.637 52.037 0.048 0.000 0.827 116 A CB 2.371 21.402 19.000 0.052 0.000 1.136 116 A HN 0.392 8.598 8.150 0.093 0.000 0.493 117 L N 0.005 121.234 121.223 0.010 0.000 2.346 117 L HA 0.494 4.846 4.340 0.020 0.000 0.274 117 L C -1.341 175.542 176.870 0.023 0.000 1.007 117 L CA -1.369 53.479 54.840 0.014 0.000 0.818 117 L CB 4.489 46.549 42.059 0.001 0.000 1.284 117 L HN -0.018 8.208 8.230 -0.007 0.000 0.424 118 L N 5.703 126.943 121.223 0.027 0.000 2.325 118 L HA 0.070 4.432 4.340 0.036 0.000 0.284 118 L C -0.245 176.649 176.870 0.039 0.000 1.089 118 L CA -0.011 54.848 54.840 0.032 0.000 0.836 118 L CB -0.107 41.966 42.059 0.023 0.000 1.184 118 L HN 0.254 8.499 8.230 0.025 0.000 0.444 119 V N 6.330 126.280 119.914 0.059 0.000 2.591 119 V HA -0.001 4.162 4.120 0.073 0.000 0.249 119 V C -0.069 176.049 176.094 0.041 0.000 1.053 119 V CA 1.308 63.652 62.300 0.074 0.000 1.068 119 V CB 0.495 32.401 31.823 0.139 0.000 0.689 119 V HN 0.265 8.495 8.190 0.067 0.000 0.462 120 G N -3.551 105.266 108.800 0.028 0.000 2.352 120 G HA2 0.018 3.982 3.960 0.006 0.000 0.303 120 G HA3 0.018 3.981 3.960 0.006 0.000 0.303 120 G C -3.299 171.602 174.900 0.002 0.000 1.593 120 G CA -0.567 44.538 45.100 0.009 0.000 0.963 120 G HN -0.882 7.427 8.290 0.032 0.000 0.685 121 S N -1.141 114.553 115.700 -0.010 0.000 2.751 121 S HA 0.719 5.276 4.470 -0.012 -0.095 0.310 121 S C -1.636 172.950 174.600 -0.024 0.000 1.128 121 S CA -1.528 56.661 58.200 -0.018 0.000 0.931 121 S CB 3.217 66.398 63.200 -0.032 0.000 1.177 121 S HN 0.016 8.318 8.310 -0.012 0.000 0.530 122 D N -0.319 120.064 120.400 -0.028 0.000 2.386 122 D HA 0.285 4.908 4.640 -0.028 0.000 0.247 122 D C 0.342 176.625 176.300 -0.029 0.000 1.336 122 D CA -0.715 53.269 54.000 -0.028 0.000 0.976 122 D CB 1.596 42.380 40.800 -0.026 0.000 1.257 122 D HN -0.222 8.131 8.370 -0.030 0.000 0.570 123 S N 5.532 121.214 115.700 -0.031 0.000 2.440 123 S HA -0.315 4.132 4.470 -0.039 0.000 0.240 123 S C 0.556 175.149 174.600 -0.011 0.000 1.014 123 S CA 2.766 60.950 58.200 -0.027 0.000 0.980 123 S CB 0.224 63.410 63.200 -0.023 0.000 0.775 123 S HN 0.427 8.718 8.310 -0.030 0.000 0.499 124 L N -2.571 118.641 121.223 -0.017 0.000 2.249 124 L HA 0.023 4.356 4.340 -0.012 0.000 0.207 124 L C 0.035 176.890 176.870 -0.024 0.000 1.090 124 L CA 1.288 56.116 54.840 -0.021 0.000 0.802 124 L CB 1.242 43.280 42.059 -0.035 0.000 0.947 124 L HN -0.812 7.578 8.230 -0.023 -0.174 0.453 125 T N -7.769 106.771 114.554 -0.023 0.000 3.091 125 T HA -0.041 4.282 4.350 -0.044 0.000 0.277 125 T C 0.498 175.218 174.700 0.035 0.000 0.996 125 T CA -0.409 61.675 62.100 -0.027 0.000 0.897 125 T CB 1.341 70.169 68.868 -0.066 0.000 1.109 125 T HN -0.636 7.705 8.240 -0.021 -0.114 0.534 126 D N 0.537 120.964 120.400 0.045 0.000 3.012 126 D HA -0.355 4.311 4.640 0.042 0.000 0.222 126 D C -1.421 174.916 176.300 0.061 0.000 1.167 126 D CA 1.603 55.650 54.000 0.078 0.000 0.854 126 D CB -0.755 40.153 40.800 0.179 0.000 1.107 126 D HN -0.237 8.148 8.370 0.025 0.000 0.421 127 L N -2.773 118.467 121.223 0.028 0.000 2.375 127 L HA 0.342 4.706 4.340 0.040 0.000 0.268 127 L C -1.835 175.040 176.870 0.009 0.000 1.058 127 L CA -0.833 54.021 54.840 0.025 0.000 0.803 127 L CB 2.352 44.420 42.059 0.014 0.000 1.212 127 L HN -0.914 7.283 8.230 0.014 0.042 0.451 128 A N -0.787 122.043 122.820 0.017 0.000 2.455 128 A HA 0.610 5.061 4.320 0.006 -0.127 0.300 128 A C -2.279 175.322 177.584 0.029 0.000 1.040 128 A CA -1.080 50.965 52.037 0.014 0.000 0.697 128 A CB 3.525 22.530 19.000 0.009 0.000 1.265 128 A HN -0.138 8.028 8.150 0.025 0.000 0.407 129 V N 2.685 122.620 119.914 0.035 0.000 2.472 129 V HA 0.761 5.095 4.120 0.069 -0.172 0.290 129 V C -0.945 175.200 176.094 0.085 0.000 1.037 129 V CA -1.457 60.883 62.300 0.066 0.000 0.908 129 V CB 1.712 33.574 31.823 0.066 0.000 0.985 129 V HN 0.062 8.268 8.190 0.028 0.000 0.454 130 L N 4.940 126.221 121.223 0.097 0.000 2.303 130 L HA 0.912 5.450 4.340 0.062 -0.160 0.266 130 L C -1.273 175.630 176.870 0.055 0.000 1.011 130 L CA -2.042 52.839 54.840 0.068 0.000 0.818 130 L CB 3.524 45.608 42.059 0.042 0.000 1.326 130 L HN 0.705 8.996 8.230 0.103 0.000 0.435 131 K N -0.005 120.377 120.400 -0.030 0.000 2.426 131 K HA 0.673 4.990 4.320 -0.280 -0.165 0.251 131 K C -1.633 174.866 176.600 -0.170 0.000 0.941 131 K CA -1.810 54.365 56.287 -0.187 0.000 0.808 131 K CB 3.647 36.008 32.500 -0.232 0.000 1.265 131 K HN 0.096 8.336 8.250 -0.017 0.000 0.432 132 I N -1.245 119.170 120.570 -0.259 0.000 2.865 132 I HA 0.524 4.589 4.170 -0.174 0.000 0.302 132 I C -2.379 173.544 176.117 -0.322 0.000 1.140 132 I CA -1.578 59.562 61.300 -0.268 0.000 1.021 132 I CB 3.672 41.440 38.000 -0.386 0.000 1.233 132 I HN -0.218 7.797 8.210 -0.327 0.000 0.427 133 N N 3.503 122.050 118.700 -0.255 0.000 2.501 133 N HA 0.288 4.899 4.740 -0.216 0.000 0.245 133 N C -1.078 174.302 175.510 -0.217 0.000 0.974 133 N CA -0.858 52.072 53.050 -0.199 0.000 0.941 133 N CB -0.291 38.142 38.487 -0.090 0.000 1.122 133 N HN 0.304 8.572 8.380 -0.186 0.000 0.507 134 A N 3.430 126.084 122.820 -0.277 0.000 2.340 134 A HA 0.415 4.713 4.320 -0.036 0.000 0.331 134 A C -0.153 177.408 177.584 -0.038 0.000 1.140 134 A CA -0.937 50.986 52.037 -0.189 0.000 0.801 134 A CB 1.842 20.604 19.000 -0.397 0.000 1.234 134 A HN 0.055 8.041 8.150 -0.273 0.000 0.469 135 T N -0.082 114.506 114.554 0.056 0.000 2.837 135 T HA -0.080 4.280 4.350 0.017 0.000 0.248 135 T C 1.055 175.776 174.700 0.035 0.000 1.033 135 T CA 0.251 62.375 62.100 0.040 0.000 1.150 135 T CB 0.255 69.156 68.868 0.056 0.000 0.865 135 T HN 0.043 8.359 8.240 0.127 0.000 0.425 136 G N 1.419 110.258 108.800 0.065 0.000 2.712 136 G HA2 -0.090 3.894 3.960 0.040 0.000 0.258 136 G HA3 -0.090 3.912 3.960 0.070 0.000 0.258 136 G C -0.283 174.636 174.900 0.032 0.000 1.241 136 G CA -0.831 44.301 45.100 0.053 0.000 0.923 136 G HN -0.427 7.922 8.290 0.099 0.000 0.548 137 G N -2.273 106.543 108.800 0.027 0.000 2.712 137 G HA2 -0.046 3.916 3.960 0.003 0.000 0.258 137 G HA3 -0.046 3.924 3.960 0.016 0.000 0.258 137 G C -2.157 172.752 174.900 0.015 0.000 1.241 137 G CA -0.440 44.668 45.100 0.014 0.000 0.923 137 G HN 0.089 8.397 8.290 0.030 0.000 0.548 138 L N -2.029 119.196 121.223 0.002 0.000 2.401 138 L HA 0.384 4.736 4.340 0.020 0.000 0.266 138 L C -2.208 174.669 176.870 0.012 0.000 0.991 138 L CA -2.672 52.169 54.840 0.002 0.000 0.818 138 L CB 3.231 45.267 42.059 -0.038 0.000 1.321 138 L HN -0.359 8.009 8.230 -0.001 -0.138 0.413 139 P HA 0.178 4.609 4.420 0.018 0.000 0.281 139 P C -1.675 175.635 177.300 0.016 0.000 1.252 139 P CA -0.655 62.458 63.100 0.021 0.000 0.778 139 P CB 0.287 32.005 31.700 0.031 0.000 0.895 140 T N -1.205 113.356 114.554 0.012 0.000 2.908 140 T HA 0.119 4.606 4.350 0.013 -0.129 0.290 140 T C -0.207 174.496 174.700 0.005 0.000 1.034 140 T CA -2.474 59.632 62.100 0.010 0.000 1.010 140 T CB 2.997 71.872 68.868 0.011 0.000 1.068 140 T HN -0.169 8.077 8.240 0.010 0.000 0.481 141 I N 2.945 123.517 120.570 0.003 0.000 2.471 141 I HA 0.156 4.320 4.170 -0.010 0.000 0.286 141 I C -1.922 174.179 176.117 -0.027 0.000 1.079 141 I CA -3.040 58.254 61.300 -0.010 0.000 1.398 141 I CB 1.119 39.115 38.000 -0.006 0.000 1.403 141 I HN -0.095 8.120 8.210 0.009 0.000 0.530 142 P HA 0.101 4.494 4.420 -0.045 0.000 0.267 142 P C -1.796 175.441 177.300 -0.106 0.000 1.205 142 P CA -0.024 63.041 63.100 -0.058 0.000 0.765 142 P CB 0.378 32.045 31.700 -0.055 0.000 0.828 143 I N 2.740 123.245 120.570 -0.109 0.000 2.468 143 I HA 0.146 4.140 4.170 -0.293 0.000 0.285 143 I C -1.219 174.802 176.117 -0.160 0.000 1.039 143 I CA -0.417 60.774 61.300 -0.182 0.000 1.074 143 I CB 2.926 40.867 38.000 -0.100 0.000 1.228 143 I HN -0.140 8.023 8.210 -0.077 0.000 0.436 144 N N 7.854 126.404 118.700 -0.251 0.000 2.589 144 N HA 0.116 4.811 4.740 -0.075 0.000 0.232 144 N C 0.286 175.746 175.510 -0.084 0.000 1.015 144 N CA -1.504 51.462 53.050 -0.140 0.000 0.931 144 N CB 0.068 38.483 38.487 -0.119 0.000 1.150 144 N HN 0.269 8.425 8.380 -0.374 0.000 0.512 145 A N 5.489 128.344 122.820 0.059 0.000 2.070 145 A HA -0.169 4.448 4.320 0.495 0.000 0.220 145 A C 0.555 178.276 177.584 0.228 0.000 1.159 145 A CA 2.071 54.255 52.037 0.245 0.000 0.656 145 A CB -0.057 19.036 19.000 0.156 0.000 0.800 145 A HN 0.726 8.899 8.150 0.039 0.000 0.453 146 R N -3.931 116.643 120.500 0.123 0.000 2.393 146 R HA 0.100 4.499 4.340 0.099 0.000 0.244 146 R C -0.364 175.990 176.300 0.091 0.000 0.920 146 R CA -0.594 55.563 56.100 0.094 0.000 1.076 146 R CB 0.422 30.754 30.300 0.054 0.000 1.119 146 R HN -0.655 7.869 8.270 0.080 -0.206 0.524 147 R N 1.574 122.138 120.500 0.106 0.000 2.340 147 R HA -0.075 4.294 4.340 0.049 0.000 0.300 147 R C -0.896 175.468 176.300 0.107 0.000 1.069 147 R CA -0.154 55.987 56.100 0.069 0.000 0.984 147 R CB 0.189 30.484 30.300 -0.008 0.000 1.003 147 R HN -0.615 7.674 8.270 0.114 0.050 0.459 148 V N 7.379 127.294 119.914 0.000 0.000 2.333 148 V HA 0.203 4.292 4.120 -0.051 0.000 0.274 148 V C -1.855 174.036 176.094 -0.338 0.000 1.028 148 V CA -2.991 59.228 62.300 -0.136 0.000 0.851 148 V CB 1.072 32.778 31.823 -0.196 0.000 1.000 148 V HN 0.110 8.298 8.190 -0.003 0.000 0.456 149 P HA -0.047 4.317 4.420 -0.093 0.000 0.267 149 P C -1.589 175.539 177.300 -0.287 0.000 1.209 149 P CA -0.294 62.718 63.100 -0.147 0.000 0.763 149 P CB 0.302 32.001 31.700 -0.001 0.000 0.816 150 H N 3.447 122.540 119.070 0.037 0.000 2.492 150 H HA 0.267 4.840 4.556 0.028 0.000 0.345 150 H C -0.269 175.072 175.328 0.021 0.000 1.136 150 H CA -1.301 54.763 56.048 0.027 0.000 1.202 150 H CB 3.402 33.177 29.762 0.021 0.000 1.524 150 H HN -0.242 8.295 8.280 0.023 -0.244 0.506 151 I N 1.906 122.564 120.570 0.147 0.000 2.742 151 I HA -0.602 3.752 4.170 0.064 -0.145 0.287 151 I C 1.347 177.508 176.117 0.073 0.000 1.186 151 I CA 2.247 63.597 61.300 0.084 0.000 1.417 151 I CB -0.808 37.232 38.000 0.066 0.000 1.377 151 I HN 0.648 8.954 8.210 0.159 0.000 0.556 152 G N 7.184 116.012 108.800 0.048 0.000 2.238 152 G HA2 -0.347 3.627 3.960 0.024 0.000 0.217 152 G HA3 -0.347 3.635 3.960 0.037 0.000 0.217 152 G C -0.398 174.521 174.900 0.032 0.000 0.996 152 G CA -0.606 44.516 45.100 0.035 0.000 0.632 152 G HN 0.303 8.616 8.290 0.039 0.000 0.503 153 D N 2.759 123.187 120.400 0.046 0.000 2.493 153 D HA -0.103 4.557 4.640 0.034 0.000 0.240 153 D C 0.004 176.294 176.300 -0.016 0.000 1.142 153 D CA 1.622 55.639 54.000 0.029 0.000 0.872 153 D CB 0.427 41.251 40.800 0.040 0.000 1.173 153 D HN -0.387 7.965 8.370 0.066 0.057 0.467 154 V N 3.067 122.954 119.914 -0.045 0.000 2.529 154 V HA -0.017 4.209 4.120 -0.106 -0.170 0.292 154 V C -0.050 175.944 176.094 -0.166 0.000 1.028 154 V CA 1.004 63.228 62.300 -0.126 0.000 1.074 154 V CB 0.106 31.807 31.823 -0.202 0.000 0.958 154 V HN 0.166 8.340 8.190 -0.028 0.000 0.481 155 V N 1.018 120.835 119.914 -0.162 0.000 3.040 155 V HA 0.998 5.179 4.120 -0.150 -0.151 0.312 155 V C -1.684 174.315 176.094 -0.158 0.000 1.115 155 V CA -3.455 58.761 62.300 -0.141 0.000 0.998 155 V CB 3.967 35.747 31.823 -0.073 0.000 1.042 155 V HN 0.117 8.113 8.190 -0.144 0.107 0.433 156 L N -0.449 120.699 121.223 -0.125 0.000 2.365 156 L HA 0.862 5.331 4.340 -0.092 -0.185 0.273 156 L C -1.233 175.608 176.870 -0.049 0.000 1.000 156 L CA -2.083 52.702 54.840 -0.092 0.000 0.819 156 L CB 3.490 45.498 42.059 -0.085 0.000 1.284 156 L HN 0.496 8.661 8.230 -0.109 0.000 0.418 157 A N 2.320 125.120 122.820 -0.033 0.000 2.290 157 A HA 0.792 5.257 4.320 -0.017 -0.155 0.310 157 A C -1.456 176.121 177.584 -0.011 0.000 1.202 157 A CA -1.873 50.152 52.037 -0.020 0.000 0.837 157 A CB 2.219 21.207 19.000 -0.020 0.000 1.139 157 A HN 0.722 8.853 8.150 -0.033 0.000 0.509 158 I N 2.252 122.817 120.570 -0.007 0.000 2.466 158 I HA 0.878 5.258 4.170 0.001 -0.210 0.289 158 I C -0.540 175.574 176.117 -0.005 0.000 1.026 158 I CA -1.526 59.773 61.300 -0.002 0.000 1.078 158 I CB 2.956 40.957 38.000 0.001 0.000 1.249 158 I HN -0.002 8.204 8.210 -0.006 0.000 0.429 159 G N 4.822 113.617 108.800 -0.007 0.000 2.364 159 G HA2 0.140 4.087 3.960 -0.021 0.000 0.286 159 G HA3 0.140 4.083 3.960 -0.028 0.000 0.286 159 G C -3.321 171.566 174.900 -0.022 0.000 1.241 159 G CA 0.778 45.866 45.100 -0.020 0.000 0.887 159 G HN -0.320 7.969 8.290 -0.002 0.000 0.484 160 N N 0.643 119.316 118.700 -0.046 0.000 2.791 160 N HA 0.712 5.445 4.740 -0.012 0.000 0.265 160 N C -2.318 173.156 175.510 -0.061 0.000 1.580 160 N CA -3.419 49.607 53.050 -0.041 0.000 0.809 160 N CB 2.118 40.565 38.487 -0.067 0.000 1.178 160 N HN -0.212 8.130 8.380 -0.063 0.000 0.499 161 P HA 0.113 4.569 4.420 -0.257 -0.190 0.267 161 P C -0.016 177.284 177.300 -0.000 0.000 1.205 161 P CA -0.033 62.998 63.100 -0.116 0.000 0.765 161 P CB 0.175 31.873 31.700 -0.004 0.000 0.828 162 Y N -0.201 120.103 120.300 0.006 0.000 3.515 162 Y HA -0.569 3.990 4.550 0.015 0.000 0.214 162 Y C -0.879 175.037 175.900 0.028 0.000 1.166 162 Y CA 0.935 59.044 58.100 0.015 0.000 1.435 162 Y CB -2.887 35.581 38.460 0.012 0.000 1.414 162 Y HN 0.052 7.978 8.280 -0.590 0.000 0.608 163 N N -3.553 115.209 118.700 0.103 0.000 2.708 163 N HA -0.361 4.542 4.740 0.085 -0.112 0.249 163 N C 0.254 175.837 175.510 0.121 0.000 1.097 163 N CA 1.103 54.221 53.050 0.113 0.000 0.710 163 N CB -0.779 37.799 38.487 0.151 0.000 1.032 163 N HN -0.413 7.949 8.380 0.036 0.039 0.551 164 L N -2.644 118.648 121.223 0.115 0.000 2.492 164 L HA -0.066 4.329 4.340 0.091 0.000 0.223 164 L C 0.868 177.783 176.870 0.076 0.000 1.132 164 L CA 0.970 55.867 54.840 0.096 0.000 0.850 164 L CB 0.273 42.393 42.059 0.102 0.000 0.966 164 L HN -0.330 7.952 8.230 0.118 0.018 0.454 165 G N -2.841 106.004 108.800 0.075 0.000 2.515 165 G HA2 -0.268 3.736 3.960 0.073 0.000 0.686 165 G HA3 -0.268 3.727 3.960 0.058 0.000 0.686 165 G C -2.279 172.649 174.900 0.048 0.000 1.274 165 G CA -0.929 44.210 45.100 0.064 0.000 0.874 165 G HN -0.641 7.875 8.290 0.078 -0.179 0.631 166 Q N 2.042 121.867 119.800 0.041 0.000 2.263 166 Q HA -0.041 4.540 4.340 0.021 -0.228 0.289 166 Q C -0.268 175.750 176.000 0.030 0.000 1.061 166 Q CA 1.249 57.069 55.803 0.029 0.000 0.927 166 Q CB 0.406 29.162 28.738 0.029 0.000 1.154 166 Q HN 0.347 8.644 8.270 0.045 0.000 0.378 167 T N 8.996 123.564 114.554 0.025 0.000 2.887 167 T HA 0.250 4.619 4.350 0.032 0.000 0.288 167 T C -1.850 172.863 174.700 0.022 0.000 1.021 167 T CA -0.942 61.175 62.100 0.028 0.000 1.000 167 T CB 2.053 70.941 68.868 0.034 0.000 1.034 167 T HN 0.536 8.786 8.240 0.018 0.000 0.467 168 I N 3.288 123.873 120.570 0.026 0.000 2.404 168 I HA 0.747 5.114 4.170 0.016 -0.188 0.293 168 I C -0.007 176.125 176.117 0.025 0.000 0.992 168 I CA -2.290 59.024 61.300 0.024 0.000 1.149 168 I CB 0.964 38.985 38.000 0.034 0.000 1.315 168 I HN 0.310 8.538 8.210 0.031 0.000 0.446 169 T N 5.271 119.833 114.554 0.013 0.000 2.906 169 T HA 0.384 4.748 4.350 0.024 0.000 0.295 169 T C -2.260 172.437 174.700 -0.005 0.000 1.061 169 T CA -1.755 60.353 62.100 0.012 0.000 1.000 169 T CB 2.706 71.579 68.868 0.008 0.000 1.103 169 T HN 0.540 8.783 8.240 0.004 0.000 0.486 170 Q N 2.892 122.692 119.800 -0.000 0.000 2.365 170 Q HA 0.712 5.163 4.340 -0.069 -0.152 0.269 170 Q C -0.837 175.144 176.000 -0.031 0.000 1.061 170 Q CA -1.163 54.622 55.803 -0.030 0.000 0.816 170 Q CB 3.957 32.702 28.738 0.010 0.000 1.325 170 Q HN 0.284 8.562 8.270 0.014 0.000 0.446 171 G N 3.646 112.409 108.800 -0.061 0.000 2.677 171 G HA2 0.703 4.646 3.960 -0.028 0.000 0.283 171 G HA3 0.703 4.809 3.960 -0.043 -0.172 0.283 171 G C -2.596 172.269 174.900 -0.058 0.000 1.221 171 G CA 0.308 45.381 45.100 -0.046 0.000 0.851 171 G HN 0.375 8.609 8.290 -0.093 0.000 0.504 172 I N -5.862 114.683 120.570 -0.042 0.000 3.174 172 I HA 0.911 5.241 4.170 -0.043 -0.186 0.313 172 I C -0.922 175.178 176.117 -0.027 0.000 1.155 172 I CA -2.645 58.635 61.300 -0.033 0.000 0.977 172 I CB 4.502 42.494 38.000 -0.014 0.000 1.248 172 I HN 0.541 9.068 8.210 -0.038 -0.340 0.453 173 I N 2.075 122.638 120.570 -0.011 0.000 2.406 173 I HA -0.003 4.273 4.170 -0.008 -0.110 0.293 173 I C 0.529 176.649 176.117 0.004 0.000 1.101 173 I CA 0.638 61.938 61.300 0.001 0.000 1.334 173 I CB -1.043 36.969 38.000 0.020 0.000 1.421 173 I HN -0.055 8.151 8.210 -0.006 0.000 0.513 174 S N 9.566 125.259 115.700 -0.012 0.000 2.406 174 S HA -0.149 4.318 4.470 -0.006 0.000 0.228 174 S C -0.718 173.890 174.600 0.013 0.000 1.020 174 S CA 2.015 60.208 58.200 -0.011 0.000 0.965 174 S CB 0.389 63.562 63.200 -0.045 0.000 0.798 174 S HN 0.631 8.825 8.310 -0.028 0.099 0.488 175 A N -3.304 119.534 122.820 0.029 0.000 2.599 175 A HA 0.249 4.598 4.320 0.048 0.000 0.294 175 A C -2.805 174.821 177.584 0.070 0.000 1.055 175 A CA 0.166 52.235 52.037 0.053 0.000 0.683 175 A CB 2.022 21.061 19.000 0.064 0.000 1.278 175 A HN -0.809 7.358 8.150 0.027 0.000 0.412 176 T N -1.065 113.527 114.554 0.063 0.000 3.390 176 T HA 0.095 4.487 4.350 0.070 0.000 0.351 176 T C 0.310 175.041 174.700 0.051 0.000 1.759 176 T CA -1.952 60.182 62.100 0.057 0.000 1.561 176 T CB 0.074 68.961 68.868 0.032 0.000 1.011 176 T HN 0.193 8.467 8.240 0.057 0.000 0.689 177 G N 5.578 114.426 108.800 0.081 0.000 2.756 177 G HA2 -0.380 3.700 3.960 0.085 0.000 0.678 177 G HA3 -0.380 3.657 3.960 0.030 -0.059 0.678 177 G C -1.736 173.197 174.900 0.055 0.000 1.349 177 G CA -0.362 44.775 45.100 0.062 0.000 0.847 177 G HN 0.096 8.457 8.290 0.118 0.000 0.548 178 R N -0.262 120.261 120.500 0.038 0.000 2.686 178 R HA 0.270 4.628 4.340 0.030 0.000 0.283 178 R C 0.027 176.333 176.300 0.010 0.000 0.978 178 R CA -2.415 53.702 56.100 0.028 0.000 0.897 178 R CB 2.172 32.491 30.300 0.031 0.000 1.192 178 R HN -0.149 8.023 8.270 0.028 0.115 0.457 179 I N -0.037 120.538 120.570 0.008 0.000 2.333 179 I HA -0.148 4.020 4.170 -0.003 0.000 0.246 179 I C 1.007 177.122 176.117 -0.003 0.000 1.106 179 I CA 0.817 62.117 61.300 0.000 0.000 1.411 179 I CB -0.068 37.933 38.000 0.002 0.000 1.082 179 I HN 0.124 8.341 8.210 0.011 0.000 0.420 180 G N -1.735 107.065 108.800 -0.001 0.000 2.511 180 G HA2 0.186 4.143 3.960 -0.005 0.000 0.316 180 G HA3 0.186 4.144 3.960 -0.003 0.000 0.316 180 G C -1.588 173.308 174.900 -0.007 0.000 1.210 180 G CA -0.871 44.227 45.100 -0.004 0.000 0.969 180 G HN -0.591 7.701 8.290 0.003 0.000 0.492 181 L N -1.549 119.669 121.223 -0.010 0.000 2.456 181 L HA -0.068 4.263 4.340 -0.016 0.000 0.272 181 L C -0.256 176.603 176.870 -0.018 0.000 1.189 181 L CA 0.700 55.531 54.840 -0.014 0.000 0.846 181 L CB -0.138 41.913 42.059 -0.013 0.000 1.111 181 L HN 0.064 8.288 8.230 -0.009 0.000 0.475 182 N N 2.420 121.103 118.700 -0.029 0.000 2.927 182 N HA 0.282 4.999 4.740 -0.038 0.000 0.248 182 N C -1.836 173.629 175.510 -0.075 0.000 1.443 182 N CA -0.996 52.027 53.050 -0.044 0.000 0.870 182 N CB 0.099 38.563 38.487 -0.039 0.000 1.444 182 N HN -0.380 7.981 8.380 -0.030 0.000 0.519 183 P HA -0.115 4.244 4.420 -0.102 0.000 0.226 183 P C -0.258 176.915 177.300 -0.213 0.000 1.146 183 P CA 1.868 64.878 63.100 -0.150 0.000 0.773 183 P CB 0.037 31.614 31.700 -0.204 0.000 0.772 184 T N -7.296 107.112 114.554 -0.244 0.000 3.051 184 T HA 0.007 4.131 4.350 -0.377 0.000 0.255 184 T C 1.278 175.917 174.700 -0.101 0.000 1.085 184 T CA 0.128 62.048 62.100 -0.300 0.000 1.109 184 T CB 0.834 69.420 68.868 -0.470 0.000 0.921 184 T HN -0.108 8.333 8.240 -0.207 -0.325 0.488 185 G N 1.548 110.314 108.800 -0.057 0.000 2.225 185 G HA2 -0.391 3.554 3.960 -0.025 0.000 0.254 185 G HA3 -0.391 3.561 3.960 -0.013 0.000 0.254 185 G C -0.536 174.365 174.900 0.003 0.000 0.988 185 G CA 0.079 45.168 45.100 -0.019 0.000 0.625 185 G HN -0.277 7.971 8.290 -0.070 0.000 0.527 186 R N -1.812 118.711 120.500 0.038 0.000 2.919 186 R HA 0.365 4.685 4.340 -0.033 0.000 0.260 186 R C -1.359 174.942 176.300 0.001 0.000 1.067 186 R CA -2.285 53.815 56.100 -0.000 0.000 1.003 186 R CB 1.876 32.138 30.300 -0.063 0.000 1.192 186 R HN -0.684 7.554 8.270 0.069 0.073 0.488 187 Q N -2.568 117.199 119.800 -0.054 0.000 2.171 187 Q HA 0.222 4.560 4.340 -0.003 0.000 0.218 187 Q C -0.092 175.880 176.000 -0.045 0.000 0.822 187 Q CA 0.241 56.024 55.803 -0.032 0.000 0.987 187 Q CB 0.700 29.415 28.738 -0.039 0.000 1.144 187 Q HN 0.359 8.571 8.270 -0.097 0.000 0.494 188 N N -2.798 115.836 118.700 -0.109 0.000 2.143 188 N HA 0.048 4.746 4.740 -0.069 0.000 0.222 188 N C -1.199 174.254 175.510 -0.096 0.000 1.264 188 N CA -0.869 52.106 53.050 -0.125 0.000 0.897 188 N CB -0.488 37.885 38.487 -0.189 0.000 1.092 188 N HN 0.055 8.332 8.380 -0.172 0.000 0.516 189 F N 0.083 120.031 119.950 -0.004 0.000 2.572 189 F HA -0.189 4.364 4.527 0.044 0.000 0.370 189 F C 0.014 175.872 175.800 0.096 0.000 1.103 189 F CA 1.599 59.629 58.000 0.050 0.000 1.286 189 F CB 0.302 39.331 39.000 0.047 0.000 1.105 189 F HN -0.680 7.645 8.300 0.042 0.000 0.583 190 L N 1.368 122.794 121.223 0.338 0.000 2.397 190 L HA 0.131 4.735 4.340 0.172 -0.161 0.271 190 L C -0.685 176.335 176.870 0.250 0.000 1.148 190 L CA -0.260 54.715 54.840 0.225 0.000 0.825 190 L CB 0.784 42.936 42.059 0.154 0.000 1.117 190 L HN 0.223 8.656 8.230 0.339 0.000 0.456 191 Q N 2.814 122.686 119.800 0.121 0.000 2.342 191 Q HA 0.777 5.179 4.340 -0.186 -0.173 0.267 191 Q C -1.310 174.631 176.000 -0.098 0.000 1.038 191 Q CA -1.561 54.206 55.803 -0.061 0.000 0.832 191 Q CB 3.976 32.684 28.738 -0.050 0.000 1.323 191 Q HN 0.294 8.625 8.270 0.102 0.000 0.448 192 T N 3.886 118.327 114.554 -0.188 0.000 2.894 192 T HA 0.676 5.131 4.350 -0.084 -0.156 0.309 192 T C -1.661 172.955 174.700 -0.141 0.000 1.208 192 T CA -2.694 59.334 62.100 -0.119 0.000 1.016 192 T CB 1.502 70.323 68.868 -0.079 0.000 1.192 192 T HN 0.476 8.532 8.240 -0.307 0.000 0.491 193 D N 4.256 124.602 120.400 -0.090 0.000 2.395 193 D HA 0.265 4.930 4.640 -0.092 -0.080 0.213 193 D C -0.052 176.216 176.300 -0.054 0.000 1.110 193 D CA -1.632 52.324 54.000 -0.074 0.000 0.835 193 D CB -0.006 40.764 40.800 -0.050 0.000 0.965 193 D HN -0.064 8.264 8.370 -0.070 0.000 0.505 194 A N 1.201 123.988 122.820 -0.055 0.000 2.522 194 A HA -0.083 4.218 4.320 -0.032 0.000 0.256 194 A C -0.401 177.160 177.584 -0.038 0.000 1.086 194 A CA 0.484 52.496 52.037 -0.041 0.000 0.763 194 A CB 0.192 19.165 19.000 -0.045 0.000 1.024 194 A HN -0.750 7.318 8.150 -0.062 0.045 0.502 195 S N 3.280 118.967 115.700 -0.021 0.000 2.596 195 S HA -0.161 4.299 4.470 -0.018 0.000 0.298 195 S C -0.999 173.591 174.600 -0.016 0.000 1.255 195 S CA 0.747 58.939 58.200 -0.013 0.000 1.083 195 S CB 0.150 63.354 63.200 0.007 0.000 0.837 195 S HN 0.200 8.502 8.310 -0.014 0.000 0.499 196 I N 5.591 126.146 120.570 -0.024 0.000 2.406 196 I HA 0.125 4.399 4.170 -0.032 -0.124 0.290 196 I C -0.862 175.233 176.117 -0.036 0.000 0.999 196 I CA -1.664 59.617 61.300 -0.032 0.000 1.124 196 I CB 0.230 38.207 38.000 -0.038 0.000 1.289 196 I HN 0.344 8.538 8.210 -0.027 0.000 0.441 197 N N 7.108 125.764 118.700 -0.073 0.000 2.469 197 N HA 0.440 5.123 4.740 -0.095 0.000 0.286 197 N C -3.181 172.178 175.510 -0.251 0.000 1.275 197 N CA -2.035 50.926 53.050 -0.147 0.000 0.790 197 N CB 2.009 40.398 38.487 -0.162 0.000 1.446 197 N HN 0.134 8.762 8.380 -0.079 -0.296 0.501 198 P HA -0.158 4.139 4.420 -0.206 0.000 0.261 198 P C -0.487 176.595 177.300 -0.362 0.000 1.183 198 P CA 1.392 64.291 63.100 -0.335 0.000 0.761 198 P CB -0.117 31.368 31.700 -0.360 0.000 0.785 199 G N 2.823 111.500 108.800 -0.205 0.000 2.218 199 G HA2 -0.423 3.639 3.960 -0.142 0.000 0.216 199 G HA3 -0.423 3.571 3.960 -0.194 -0.149 0.216 199 G C 0.872 175.697 174.900 -0.125 0.000 0.994 199 G CA 0.785 45.785 45.100 -0.168 0.000 0.637 199 G HN 0.582 8.779 8.290 -0.155 0.000 0.505 200 N N 0.320 118.952 118.700 -0.113 0.000 2.463 200 N HA -0.068 4.635 4.740 -0.063 0.000 0.181 200 N C -0.072 175.415 175.510 -0.039 0.000 1.078 200 N CA 1.039 54.048 53.050 -0.068 0.000 0.902 200 N CB 0.954 39.405 38.487 -0.060 0.000 0.970 200 N HN -0.220 8.022 8.380 -0.133 0.059 0.451 201 S N -1.704 113.973 115.700 -0.038 0.000 2.537 201 S HA -0.338 4.272 4.470 0.013 -0.133 0.286 201 S C 0.554 175.156 174.600 0.003 0.000 1.299 201 S CA 2.434 60.632 58.200 -0.003 0.000 1.067 201 S CB -0.043 63.160 63.200 0.004 0.000 0.864 201 S HN -0.496 7.735 8.310 -0.055 0.046 0.494 202 G N 5.049 113.865 108.800 0.026 0.000 2.217 202 G HA2 -0.440 3.545 3.960 0.041 0.000 0.246 202 G HA3 -0.440 3.720 3.960 0.018 -0.189 0.246 202 G C -0.052 174.859 174.900 0.020 0.000 0.990 202 G CA 0.059 45.175 45.100 0.027 0.000 0.627 202 G HN 0.701 9.015 8.290 0.040 0.000 0.522 203 G N 0.638 109.444 108.800 0.009 0.000 2.588 203 G HA2 0.190 4.153 3.960 0.004 0.000 0.278 203 G HA3 0.190 4.299 3.960 -0.002 -0.150 0.278 203 G C -2.203 172.708 174.900 0.019 0.000 1.307 203 G CA -1.053 44.050 45.100 0.006 0.000 1.016 203 G HN -0.489 7.727 8.290 0.004 0.077 0.503 204 A N -2.423 120.405 122.820 0.013 0.000 2.295 204 A HA 0.463 4.799 4.320 0.026 0.000 0.318 204 A C -2.143 175.447 177.584 0.010 0.000 1.134 204 A CA -1.459 50.588 52.037 0.016 0.000 0.827 204 A CB 2.780 21.784 19.000 0.007 0.000 1.136 204 A HN -0.279 7.875 8.150 0.007 0.000 0.493 205 L N 2.826 124.059 121.223 0.015 0.000 2.342 205 L HA 0.933 5.477 4.340 -0.009 -0.209 0.276 205 L C -1.866 174.997 176.870 -0.012 0.000 0.997 205 L CA -1.025 53.817 54.840 0.003 0.000 0.838 205 L CB 3.204 45.276 42.059 0.022 0.000 1.224 205 L HN -0.059 8.187 8.230 0.026 0.000 0.416 206 V N 1.584 121.477 119.914 -0.035 0.000 3.019 206 V HA 0.937 5.170 4.120 -0.061 -0.149 0.317 206 V C -1.479 174.571 176.094 -0.073 0.000 1.094 206 V CA -3.884 58.382 62.300 -0.056 0.000 1.000 206 V CB 3.645 35.435 31.823 -0.054 0.000 1.060 206 V HN 0.244 8.411 8.190 -0.039 0.000 0.443 207 N N 0.575 119.229 118.700 -0.077 0.000 2.431 207 N HA 0.463 5.312 4.740 -0.101 -0.170 0.289 207 N C 1.925 177.380 175.510 -0.093 0.000 1.277 207 N CA -1.479 51.520 53.050 -0.085 0.000 0.972 207 N CB 0.836 39.288 38.487 -0.057 0.000 1.143 207 N HN -0.273 8.060 8.380 -0.079 0.000 0.578 208 S N -1.203 114.445 115.700 -0.087 0.000 2.555 208 S HA -0.128 4.291 4.470 -0.085 0.000 0.230 208 S C 0.524 175.141 174.600 0.029 0.000 0.978 208 S CA 2.028 60.205 58.200 -0.038 0.000 0.934 208 S CB -0.762 62.459 63.200 0.034 0.000 0.766 208 S HN 0.347 8.612 8.310 -0.075 0.000 0.533 209 L N -2.600 118.622 121.223 -0.002 0.000 2.640 209 L HA 0.277 4.629 4.340 0.020 0.000 0.230 209 L C 0.666 177.527 176.870 -0.015 0.000 1.123 209 L CA -0.368 54.473 54.840 0.002 0.000 0.900 209 L CB 0.253 42.307 42.059 -0.008 0.000 1.146 209 L HN -0.555 7.878 8.230 -0.021 -0.216 0.484 210 G N -1.512 107.272 108.800 -0.027 0.000 2.176 210 G HA2 -0.480 3.461 3.960 -0.033 0.000 0.253 210 G HA3 -0.480 3.466 3.960 -0.024 0.000 0.253 210 G C -0.531 174.330 174.900 -0.066 0.000 0.979 210 G CA 0.122 45.201 45.100 -0.035 0.000 0.641 210 G HN -0.275 7.890 8.290 -0.032 0.106 0.530 211 E N 0.245 120.390 120.200 -0.091 0.000 2.316 211 E HA -0.163 4.225 4.350 -0.157 -0.133 0.275 211 E C -0.408 176.074 176.600 -0.195 0.000 1.029 211 E CA -0.551 55.755 56.400 -0.157 0.000 0.871 211 E CB 0.695 30.289 29.700 -0.176 0.000 1.022 211 E HN -0.607 7.897 8.360 -0.080 -0.192 0.418 212 L N 5.572 126.648 121.223 -0.245 0.000 2.559 212 L HA -0.281 3.990 4.340 -0.115 0.000 0.274 212 L C -0.821 175.881 176.870 -0.279 0.000 1.205 212 L CA 1.568 56.283 54.840 -0.209 0.000 0.907 212 L CB 0.220 42.182 42.059 -0.162 0.000 1.153 212 L HN -0.065 8.015 8.230 -0.250 0.000 0.490 213 M N 3.777 123.349 119.600 -0.047 0.000 2.615 213 M HA 0.184 4.768 4.480 0.173 0.000 0.262 213 M C 0.008 176.464 176.300 0.260 0.000 1.198 213 M CA 0.098 55.470 55.300 0.120 0.000 1.165 213 M CB 1.839 34.476 32.600 0.062 0.000 1.310 213 M HN 0.660 8.937 8.290 -0.022 0.000 0.494 214 G N -3.844 105.054 108.800 0.163 0.000 2.356 214 G HA2 0.228 4.423 3.960 0.197 0.000 0.294 214 G HA3 0.228 4.325 3.960 0.150 -0.047 0.294 214 G C -3.053 171.914 174.900 0.112 0.000 1.423 214 G CA 0.460 45.657 45.100 0.161 0.000 0.806 214 G HN -0.601 7.752 8.290 0.104 0.000 0.527 215 I N -1.016 119.621 120.570 0.112 0.000 2.312 215 I HA 0.527 4.898 4.170 0.075 -0.156 0.290 215 I C -0.482 175.699 176.117 0.107 0.000 1.008 215 I CA -3.725 57.631 61.300 0.093 0.000 1.226 215 I CB -0.228 37.824 38.000 0.085 0.000 1.371 215 I HN -0.085 8.197 8.210 0.120 0.000 0.468 216 N N 8.459 127.207 118.700 0.080 0.000 2.458 216 N HA 0.055 5.003 4.740 0.098 -0.149 0.258 216 N C 0.765 176.330 175.510 0.091 0.000 1.219 216 N CA 0.989 54.087 53.050 0.079 0.000 0.902 216 N CB 0.574 39.084 38.487 0.038 0.000 1.076 216 N HN -0.175 8.241 8.380 0.061 0.000 0.455 217 T N -0.458 114.164 114.554 0.113 0.000 2.861 217 T HA 0.266 4.679 4.350 0.105 0.000 0.265 217 T C -0.403 174.333 174.700 0.061 0.000 1.104 217 T CA -1.223 60.941 62.100 0.106 0.000 0.987 217 T CB 1.345 70.298 68.868 0.141 0.000 2.051 217 T HN -0.105 8.210 8.240 0.126 0.000 0.570 218 L N -0.224 121.026 121.223 0.044 0.000 2.375 218 L HA 0.198 4.542 4.340 0.008 0.000 0.271 218 L C 0.750 177.665 176.870 0.075 0.000 1.107 218 L CA 0.329 55.182 54.840 0.022 0.000 0.806 218 L CB 0.334 42.380 42.059 -0.021 0.000 1.146 218 L HN 0.268 8.522 8.230 0.039 0.000 0.447 219 S N 0.326 116.061 115.700 0.059 0.000 2.592 219 S HA -0.053 4.492 4.470 0.124 0.000 0.271 219 S C -0.320 174.391 174.600 0.184 0.000 1.326 219 S CA -0.392 57.866 58.200 0.098 0.000 1.024 219 S CB 0.823 64.036 63.200 0.022 0.000 0.921 219 S HN -0.145 8.177 8.310 0.021 0.000 0.527 220 F N 6.572 126.580 119.950 0.096 0.000 2.471 220 F HA -0.062 4.529 4.527 0.106 0.000 0.353 220 F C -1.317 174.507 175.800 0.040 0.000 1.113 220 F CA 0.756 58.826 58.000 0.118 0.000 1.262 220 F CB 0.983 40.124 39.000 0.235 0.000 1.146 220 F HN -0.290 8.229 8.300 0.365 0.000 0.578 229 P HA 0.117 4.518 4.420 -0.032 0.000 0.272 229 P C -1.668 175.611 177.300 -0.035 0.000 1.223 229 P CA -0.472 62.584 63.100 -0.073 0.000 0.784 229 P CB 0.760 32.383 31.700 -0.128 0.000 0.923 230 E N 0.585 120.782 120.200 -0.005 0.000 2.246 230 E HA 0.043 4.385 4.350 -0.013 0.000 0.266 230 E C -0.253 176.342 176.600 -0.009 0.000 0.880 230 E CA -0.085 56.310 56.400 -0.008 0.000 0.762 230 E CB 1.219 30.916 29.700 -0.005 0.000 1.180 230 E HN 0.078 8.444 8.360 0.011 0.000 0.416 231 G N 3.089 111.876 108.800 -0.022 0.000 2.246 231 G HA2 -0.396 3.536 3.960 -0.046 0.000 0.273 231 G HA3 -0.396 3.543 3.960 -0.034 0.000 0.273 231 G C -1.233 173.621 174.900 -0.076 0.000 1.055 231 G CA 0.429 45.504 45.100 -0.042 0.000 0.851 231 G HN 0.659 8.936 8.290 -0.021 0.000 0.500 232 I N -0.293 120.226 120.570 -0.084 0.000 2.495 232 I HA 0.173 4.182 4.170 -0.269 0.000 0.277 232 I C -1.903 174.034 176.117 -0.299 0.000 1.045 232 I CA -0.772 60.419 61.300 -0.182 0.000 1.135 232 I CB 0.580 38.586 38.000 0.009 0.000 1.241 232 I HN -0.234 7.944 8.210 -0.053 0.000 0.469 233 G N 4.439 112.944 108.800 -0.490 0.000 2.605 233 G HA2 0.517 4.285 3.960 -0.320 0.000 0.296 233 G HA3 0.517 4.336 3.960 -0.234 0.000 0.296 233 G C -2.643 171.834 174.900 -0.704 0.000 1.304 233 G CA -1.390 43.447 45.100 -0.438 0.000 0.941 233 G HN -0.025 7.979 8.290 -0.476 0.000 0.475 234 F N -2.359 117.541 119.950 -0.083 0.000 2.611 234 F HA 1.012 5.688 4.527 -0.058 -0.184 0.324 234 F C -1.407 174.397 175.800 0.005 0.000 1.061 234 F CA -2.035 55.899 58.000 -0.111 0.000 0.954 234 F CB 5.074 43.819 39.000 -0.425 0.000 1.301 234 F HN -0.036 8.282 8.300 0.031 0.000 0.482 235 A N -1.711 121.318 122.820 0.349 0.000 2.566 235 A HA 0.561 5.180 4.320 0.271 -0.136 0.297 235 A C -2.167 175.637 177.584 0.366 0.000 1.059 235 A CA -0.982 51.232 52.037 0.295 0.000 0.691 235 A CB 3.659 22.759 19.000 0.166 0.000 1.282 235 A HN 0.363 8.782 8.150 0.449 0.000 0.401 236 I N 1.468 122.196 120.570 0.264 0.000 2.556 236 I HA 0.213 4.409 4.170 0.044 0.000 0.284 236 I C -1.762 174.400 176.117 0.074 0.000 1.114 236 I CA -3.655 57.710 61.300 0.108 0.000 1.418 236 I CB -0.392 37.637 38.000 0.048 0.000 1.394 236 I HN -0.120 8.236 8.210 0.242 0.000 0.552 237 P HA 0.079 4.679 4.420 0.060 -0.143 0.266 237 P C 1.069 178.341 177.300 -0.046 0.000 1.195 237 P CA -0.129 62.960 63.100 -0.017 0.000 0.768 237 P CB 0.148 31.773 31.700 -0.125 0.000 0.838 238 F N 3.630 123.573 119.950 -0.011 0.000 2.202 238 F HA -0.399 4.124 4.527 -0.008 0.000 0.301 238 F C 1.175 176.962 175.800 -0.023 0.000 1.082 238 F CA 3.910 61.903 58.000 -0.013 0.000 1.313 238 F CB -0.695 38.298 39.000 -0.012 0.000 1.024 238 F HN -0.061 8.426 8.300 0.312 0.000 0.495 239 Q N -0.357 118.803 119.800 -1.067 0.000 2.061 239 Q HA -0.396 3.558 4.340 -0.643 0.000 0.204 239 Q C 1.989 177.806 176.000 -0.304 0.000 0.984 239 Q CA 3.381 58.747 55.803 -0.727 0.000 0.846 239 Q CB -0.876 27.427 28.738 -0.724 0.000 0.902 239 Q HN 0.090 7.494 8.270 -1.420 0.015 0.421 240 L N -1.177 119.896 121.223 -0.250 0.000 2.156 240 L HA -0.198 4.052 4.340 -0.150 0.000 0.208 240 L C 1.123 177.933 176.870 -0.099 0.000 1.095 240 L CA 2.246 56.992 54.840 -0.157 0.000 0.770 240 L CB -0.627 41.337 42.059 -0.159 0.000 0.914 240 L HN -0.686 7.375 8.230 -0.281 0.000 0.439 241 A N -1.209 121.572 122.820 -0.064 0.000 1.929 241 A HA -0.299 4.007 4.320 -0.022 0.000 0.216 241 A C 1.821 179.400 177.584 -0.009 0.000 1.176 241 A CA 3.093 55.121 52.037 -0.014 0.000 0.628 241 A CB -0.722 18.299 19.000 0.036 0.000 0.816 241 A HN -0.341 7.768 8.150 -0.069 0.000 0.444 242 T N 1.348 115.902 114.554 0.001 0.000 2.684 242 T HA -0.496 3.864 4.350 0.017 0.000 0.267 242 T C 2.082 176.762 174.700 -0.033 0.000 1.036 242 T CA 5.366 67.469 62.100 0.005 0.000 1.148 242 T CB -0.167 68.721 68.868 0.034 0.000 0.863 242 T HN -0.228 8.013 8.240 0.001 0.000 0.436 243 K N 0.874 121.242 120.400 -0.054 0.000 2.026 243 K HA -0.299 3.987 4.320 -0.056 0.000 0.208 243 K C 2.513 179.077 176.600 -0.059 0.000 1.048 243 K CA 3.502 59.752 56.287 -0.060 0.000 0.929 243 K CB -0.215 32.241 32.500 -0.073 0.000 0.713 243 K HN -0.798 7.413 8.250 -0.066 0.000 0.439 244 I N -0.935 119.601 120.570 -0.057 0.000 2.394 244 I HA -0.357 3.781 4.170 -0.053 0.000 0.251 244 I C 1.866 177.953 176.117 -0.051 0.000 1.136 244 I CA 2.043 63.312 61.300 -0.052 0.000 1.425 244 I CB -0.997 36.975 38.000 -0.046 0.000 1.079 244 I HN -0.522 7.654 8.210 -0.058 0.000 0.425 245 M N 2.536 122.105 119.600 -0.050 0.000 2.077 245 M HA -0.503 3.943 4.480 -0.057 0.000 0.261 245 M C 1.124 177.358 176.300 -0.110 0.000 1.070 245 M CA 4.826 60.086 55.300 -0.067 0.000 1.125 245 M CB -0.072 32.497 32.600 -0.053 0.000 1.339 245 M HN -0.209 8.042 8.290 -0.044 0.013 0.409 246 D N -0.443 119.895 120.400 -0.103 0.000 2.158 246 D HA -0.376 4.170 4.640 -0.157 0.000 0.197 246 D C 2.528 178.766 176.300 -0.102 0.000 0.995 246 D CA 3.677 57.607 54.000 -0.117 0.000 0.846 246 D CB -0.678 40.073 40.800 -0.083 0.000 0.941 246 D HN -0.282 8.039 8.370 -0.082 0.000 0.456 247 K N -0.249 120.104 120.400 -0.078 0.000 2.025 247 K HA -0.255 4.029 4.320 -0.059 0.000 0.207 247 K C 2.338 178.901 176.600 -0.062 0.000 1.049 247 K CA 3.094 59.343 56.287 -0.063 0.000 0.933 247 K CB -0.005 32.464 32.500 -0.053 0.000 0.714 247 K HN -0.654 7.539 8.250 -0.072 0.014 0.438 248 L N -1.954 119.231 121.223 -0.063 0.000 2.017 248 L HA -0.328 3.990 4.340 -0.038 0.000 0.208 248 L C 2.625 179.459 176.870 -0.060 0.000 1.073 248 L CA 2.997 57.807 54.840 -0.050 0.000 0.745 248 L CB -0.156 41.880 42.059 -0.039 0.000 0.894 248 L HN -0.663 7.528 8.230 -0.065 0.000 0.432 249 I N -1.802 118.699 120.570 -0.116 0.000 2.127 249 I HA -0.484 3.623 4.170 -0.105 0.000 0.241 249 I C 1.588 177.651 176.117 -0.091 0.000 1.075 249 I CA 2.946 64.152 61.300 -0.157 0.000 1.334 249 I CB -0.261 37.508 38.000 -0.385 0.000 1.040 249 I HN -0.333 7.791 8.210 -0.144 0.000 0.405 250 R N -1.249 119.197 120.500 -0.090 0.000 2.189 250 R HA -0.178 4.131 4.340 -0.052 0.000 0.223 250 R C 0.177 176.455 176.300 -0.036 0.000 1.092 250 R CA 2.090 58.155 56.100 -0.058 0.000 0.989 250 R CB 0.452 30.717 30.300 -0.058 0.000 0.876 250 R HN -0.567 7.639 8.270 -0.106 0.000 0.457 251 D N 0.000 120.379 120.400 -0.035 0.000 6.856 251 D HA 0.000 4.628 4.640 -0.020 0.000 0.175 251 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 251 D CB 0.000 40.785 40.800 -0.026 0.000 0.688 251 D HN 0.000 8.182 8.370 -0.043 0.163 0.683