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 2p76_1_A DATA FIRST_RESID 44 DATA SEQUENCE QWHTNLTNER FTTIAHRGAS GYAPEHTFQA YDKSHNELKA SYIEIDLQRT DATA SEQUENCE KDGHLVAMHD ETVNRTTNGH GKVEDYTLDE LKQLDAGSWF NKKYPKYARA DATA SEQUENCE SYKNAKVPTL DEILERYGPN ANYYIETKSP DVYPGMEEQL LASLKKHHLL DATA SEQUENCE NNNKLKNGHV MIQSFSDESL KKIHRQNKHV PLVKLVDKGE LQQFNDQRLK DATA SEQUENCE EIRSYAIGLG PDYTDLTEQN THHLKDLGFI VHPYTVNEKA DMLRLNKYGV DATA SEQUENCE DGVFTNFADK YKEVIKE 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 44 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 44 Q C 0.000 176.000 176.000 0.001 0.000 1.003 44 Q CA 0.000 55.741 55.803 -0.103 0.000 1.022 44 Q CB 0.000 28.680 28.738 -0.097 0.000 1.108 45 W N 1.095 122.311 121.300 -0.139 0.000 2.353 45 W HA 0.565 5.222 4.660 -0.004 0.000 0.377 45 W C 0.592 176.986 176.519 -0.209 0.000 1.375 45 W CA -0.632 56.616 57.345 -0.161 0.000 1.503 45 W CB 0.374 29.792 29.460 -0.070 0.000 1.345 45 W HN 0.143 8.323 8.180 -0.000 0.000 0.683 46 H N 0.392 119.577 119.070 0.191 0.000 2.467 46 H HA 0.370 4.925 4.556 -0.002 0.000 0.331 46 H C -0.006 175.368 175.328 0.078 0.000 1.120 46 H CA 0.200 56.300 56.048 0.086 0.000 1.270 46 H CB 1.308 31.082 29.762 0.020 0.000 1.466 46 H HN 0.119 8.399 8.280 -0.000 0.000 0.504 47 T N 0.362 115.041 114.554 0.208 0.000 2.908 47 T HA 0.252 4.601 4.350 -0.002 0.000 0.290 47 T C 0.265 175.039 174.700 0.123 0.000 1.034 47 T CA -1.264 60.913 62.100 0.128 0.000 1.010 47 T CB 1.337 70.253 68.868 0.080 0.000 1.068 47 T HN 0.404 8.644 8.240 -0.000 0.000 0.481 48 N N 1.289 120.067 118.700 0.129 0.000 2.167 48 N HA -0.050 4.688 4.740 -0.002 0.000 0.258 48 N C 1.215 176.797 175.510 0.121 0.000 1.241 48 N CA 0.104 53.253 53.050 0.165 0.000 0.829 48 N CB 0.465 39.073 38.487 0.200 0.000 1.072 48 N HN 0.584 8.964 8.380 -0.000 0.000 0.466 49 L N 0.933 122.232 121.223 0.126 0.000 2.376 49 L HA -0.111 4.227 4.340 -0.002 0.000 0.219 49 L C 2.214 179.123 176.870 0.065 0.000 1.133 49 L CA 0.953 55.847 54.840 0.090 0.000 0.816 49 L CB -0.694 41.420 42.059 0.092 0.000 0.933 49 L HN 0.654 8.884 8.230 -0.000 0.000 0.449 50 T N -3.734 110.858 114.554 0.064 0.000 3.113 50 T HA -0.082 4.266 4.350 -0.002 0.000 0.263 50 T C 1.154 175.850 174.700 -0.007 0.000 1.143 50 T CA 0.782 62.870 62.100 -0.020 0.000 1.090 50 T CB -0.255 68.571 68.868 -0.071 0.000 0.922 50 T HN 0.402 8.642 8.240 -0.000 0.000 0.521 51 N N 0.703 119.419 118.700 0.027 0.000 2.901 51 N HA -0.170 4.569 4.740 -0.002 0.000 0.248 51 N C -0.977 174.542 175.510 0.015 0.000 1.044 51 N CA 0.869 53.932 53.050 0.023 0.000 0.847 51 N CB -1.690 36.805 38.487 0.013 0.000 1.127 51 N HN 0.790 9.170 8.380 -0.000 0.000 0.562 52 E N -0.266 119.947 120.200 0.023 0.000 2.266 52 E HA 0.259 4.608 4.350 -0.002 0.000 0.277 52 E C 0.980 177.580 176.600 -0.000 0.000 1.018 52 E CA -0.741 55.672 56.400 0.022 0.000 0.840 52 E CB 1.229 30.954 29.700 0.041 0.000 1.082 52 E HN 0.204 8.564 8.360 -0.000 0.000 0.395 53 R N 2.083 122.554 120.500 -0.048 0.000 2.073 53 R HA 0.006 4.344 4.340 -0.002 0.000 0.229 53 R C -0.352 175.705 176.300 -0.405 0.000 1.120 53 R CA 1.431 57.394 56.100 -0.228 0.000 0.967 53 R CB 0.182 30.324 30.300 -0.263 0.000 0.862 53 R HN 0.425 8.695 8.270 -0.000 0.000 0.436 54 F N -0.245 119.748 119.950 0.072 0.000 2.499 54 F HA 0.350 4.875 4.527 -0.003 0.000 0.333 54 F C -0.131 175.732 175.800 0.104 0.000 1.138 54 F CA -0.785 57.275 58.000 0.101 0.000 0.945 54 F CB 1.873 40.893 39.000 0.033 0.000 1.181 54 F HN -0.234 8.066 8.300 -0.000 0.000 0.435 55 T N 1.965 116.683 114.554 0.274 0.000 2.875 55 T HA 0.448 4.797 4.350 -0.002 0.000 0.284 55 T C -0.195 174.596 174.700 0.152 0.000 0.995 55 T CA -0.210 61.985 62.100 0.159 0.000 1.060 55 T CB 0.571 69.511 68.868 0.119 0.000 0.967 55 T HN 0.548 8.788 8.240 -0.000 0.000 0.476 56 T N 6.215 120.851 114.554 0.136 0.000 2.853 56 T HA 0.425 4.774 4.350 -0.002 0.000 0.317 56 T C 0.114 174.797 174.700 -0.029 0.000 1.059 56 T CA -0.346 61.819 62.100 0.109 0.000 0.954 56 T CB -0.271 68.715 68.868 0.198 0.000 0.994 56 T HN 0.514 8.754 8.240 -0.000 0.000 0.479 57 I N 2.884 123.311 120.570 -0.238 0.000 2.301 57 I HA 0.348 4.517 4.170 -0.002 0.000 0.292 57 I C 0.901 176.921 176.117 -0.163 0.000 1.046 57 I CA -0.773 60.341 61.300 -0.309 0.000 1.282 57 I CB 0.832 38.249 38.000 -0.971 0.000 1.409 57 I HN 0.569 8.779 8.210 -0.000 0.000 0.484 58 A N 6.501 129.300 122.820 -0.035 0.000 2.785 58 A HA 0.013 4.331 4.320 -0.002 0.000 0.294 58 A C 0.546 178.169 177.584 0.065 0.000 1.597 58 A CA -0.160 51.880 52.037 0.005 0.000 1.283 58 A CB -0.828 18.184 19.000 0.020 0.000 1.088 58 A HN 0.799 8.949 8.150 -0.000 0.000 0.568 59 H N 2.938 121.985 119.070 -0.038 0.000 3.257 59 H HA -0.036 4.519 4.556 -0.002 0.000 0.256 59 H C 0.363 175.642 175.328 -0.082 0.000 0.885 59 H CA 0.693 56.749 56.048 0.013 0.000 1.406 59 H CB -0.088 29.671 29.762 -0.005 0.000 1.506 59 H HN 0.852 9.132 8.280 -0.000 0.000 0.527 60 R N 2.180 122.556 120.500 -0.206 0.000 3.770 60 R HA -0.242 4.096 4.340 -0.002 0.000 0.305 60 R C 0.888 177.013 176.300 -0.292 0.000 1.184 60 R CA 0.465 56.276 56.100 -0.481 0.000 0.823 60 R CB -2.008 27.697 30.300 -0.992 0.000 1.285 60 R HN 1.081 9.351 8.270 -0.000 0.000 0.499 61 G N -0.656 108.144 108.800 0.001 0.000 2.508 61 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.220 61 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.220 61 G C 0.005 174.827 174.900 -0.130 0.000 1.287 61 G CA 0.069 45.182 45.100 0.023 0.000 0.916 61 G HN 0.831 9.121 8.290 -0.000 0.000 0.574 62 A N 0.038 122.762 122.820 -0.160 0.000 3.033 62 A HA 0.629 4.948 4.320 -0.002 0.000 0.250 62 A C 1.978 179.332 177.584 -0.384 0.000 1.633 62 A CA 1.682 53.610 52.037 -0.181 0.000 1.290 62 A CB -0.691 18.292 19.000 -0.029 0.000 1.048 62 A HN 2.057 10.207 8.150 -0.000 0.000 0.648 63 S N 0.830 116.270 115.700 -0.434 0.000 2.393 63 S HA -0.228 4.241 4.470 -0.002 0.000 0.234 63 S C 2.016 176.253 174.600 -0.605 0.000 1.064 63 S CA 2.417 60.321 58.200 -0.494 0.000 1.088 63 S CB -0.327 62.625 63.200 -0.413 0.000 0.939 63 S HN 0.867 9.177 8.310 -0.000 0.000 0.448 64 G N -1.875 106.358 108.800 -0.944 0.000 2.534 64 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.217 64 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.217 64 G C 0.811 175.155 174.900 -0.928 0.000 1.128 64 G CA 0.714 45.097 45.100 -1.195 0.000 0.784 64 G HN 0.644 8.934 8.290 -0.000 0.000 0.542 65 Y N -0.350 119.668 120.300 -0.470 0.000 2.444 65 Y HA 0.623 5.171 4.550 -0.002 0.000 0.252 65 Y C 1.161 176.872 175.900 -0.315 0.000 1.091 65 Y CA -0.622 57.269 58.100 -0.349 0.000 1.276 65 Y CB 0.365 38.687 38.460 -0.231 0.000 1.170 65 Y HN 0.253 8.533 8.280 -0.000 0.000 0.517 66 A N 0.609 122.982 122.820 -0.746 0.000 2.527 66 A HA 0.655 4.974 4.320 -0.002 0.000 0.293 66 A C -2.852 173.653 177.584 -1.798 0.000 1.117 66 A CA -2.016 49.163 52.037 -1.431 0.000 0.723 66 A CB 0.919 19.430 19.000 -0.815 0.000 1.313 66 A HN -0.176 7.974 8.150 -0.000 0.000 0.411 67 P HA 0.088 4.508 4.420 -0.000 0.000 0.261 67 P C -0.156 176.886 177.300 -0.430 0.000 1.203 67 P CA 0.353 62.924 63.100 -0.882 0.000 0.767 67 P CB -0.110 31.262 31.700 -0.547 0.000 0.785 68 E N 4.017 124.099 120.200 -0.198 0.000 2.565 68 E HA -0.194 4.154 4.350 -0.002 0.000 0.268 68 E C -0.177 176.234 176.600 -0.315 0.000 1.000 68 E CA -0.077 56.123 56.400 -0.333 0.000 0.964 68 E CB -0.505 29.035 29.700 -0.267 0.000 0.955 68 E HN 0.463 8.823 8.360 -0.000 0.000 0.459 69 H N -0.110 118.740 119.070 -0.367 0.000 2.592 69 H HA -0.159 4.395 4.556 -0.002 0.000 0.323 69 H C -0.461 174.615 175.328 -0.421 0.000 1.117 69 H CA 1.392 57.197 56.048 -0.405 0.000 1.120 69 H CB -2.175 27.550 29.762 -0.062 0.000 1.561 69 H HN 0.785 9.065 8.280 -0.000 0.000 0.409 70 T N -4.065 110.148 114.554 -0.568 0.000 2.883 70 T HA 0.459 4.808 4.350 -0.002 0.000 0.301 70 T C 0.980 175.590 174.700 -0.150 0.000 1.158 70 T CA -0.962 60.964 62.100 -0.289 0.000 1.007 70 T CB 1.208 69.940 68.868 -0.228 0.000 1.186 70 T HN -0.138 8.102 8.240 -0.000 0.000 0.499 71 F N 1.069 121.029 119.950 0.017 0.000 2.154 71 F HA -0.082 4.444 4.527 -0.002 0.000 0.301 71 F C 2.592 178.452 175.800 0.099 0.000 1.087 71 F CA 1.291 59.408 58.000 0.194 0.000 1.274 71 F CB -1.365 37.735 39.000 0.167 0.000 1.009 71 F HN 0.608 8.908 8.300 -0.000 0.000 0.485 72 Q N 0.082 119.977 119.800 0.160 0.000 2.002 72 Q HA -0.167 4.172 4.340 -0.002 0.000 0.204 72 Q C 2.555 178.519 176.000 -0.061 0.000 0.988 72 Q CA 2.261 58.088 55.803 0.041 0.000 0.843 72 Q CB -0.976 27.705 28.738 -0.095 0.000 0.908 72 Q HN 0.347 8.617 8.270 -0.000 0.000 0.420 73 A N -0.486 122.177 122.820 -0.261 0.000 1.940 73 A HA -0.207 4.111 4.320 -0.002 0.000 0.219 73 A C 1.769 179.268 177.584 -0.142 0.000 1.176 73 A CA 1.584 53.427 52.037 -0.324 0.000 0.631 73 A CB -0.817 17.863 19.000 -0.534 0.000 0.814 73 A HN 0.425 8.575 8.150 -0.000 0.000 0.446 74 Y N 0.427 120.731 120.300 0.008 0.000 2.220 74 Y HA -0.105 4.443 4.550 -0.002 0.000 0.291 74 Y C 2.257 178.117 175.900 -0.068 0.000 1.129 74 Y CA 0.637 58.688 58.100 -0.081 0.000 1.161 74 Y CB -0.785 37.629 38.460 -0.077 0.000 0.997 74 Y HN 0.294 8.574 8.280 -0.000 0.000 0.522 75 D N 0.239 120.807 120.400 0.280 0.000 2.104 75 D HA -0.187 4.452 4.640 -0.002 0.000 0.194 75 D C 2.124 178.512 176.300 0.146 0.000 0.994 75 D CA 1.485 55.643 54.000 0.262 0.000 0.830 75 D CB -0.199 40.745 40.800 0.241 0.000 0.959 75 D HN 0.255 8.625 8.370 -0.000 0.000 0.452 76 K N 0.635 121.094 120.400 0.098 0.000 2.009 76 K HA -0.140 4.179 4.320 -0.002 0.000 0.210 76 K C 2.188 178.822 176.600 0.058 0.000 1.049 76 K CA 1.930 58.256 56.287 0.065 0.000 0.929 76 K CB -0.056 32.475 32.500 0.051 0.000 0.714 76 K HN 0.122 8.372 8.250 -0.000 0.000 0.440 77 S N -0.790 114.943 115.700 0.055 0.000 2.402 77 S HA -0.176 4.293 4.470 -0.002 0.000 0.229 77 S C 1.991 176.622 174.600 0.051 0.000 1.021 77 S CA 1.309 59.539 58.200 0.050 0.000 0.974 77 S CB -0.452 62.770 63.200 0.037 0.000 0.800 77 S HN 0.501 8.811 8.310 -0.000 0.000 0.484 78 H N 1.774 120.800 119.070 -0.072 0.000 2.344 78 H HA 0.282 4.837 4.556 -0.002 0.000 0.307 78 H C 1.853 177.156 175.328 -0.042 0.000 1.057 78 H CA 1.791 57.773 56.048 -0.111 0.000 1.373 78 H CB -0.526 29.085 29.762 -0.251 0.000 1.421 78 H HN 0.518 8.798 8.280 -0.000 0.000 0.532 79 N N -0.473 118.180 118.700 -0.078 0.000 2.197 79 N HA -0.065 4.674 4.740 -0.002 0.000 0.184 79 N C 1.701 177.168 175.510 -0.072 0.000 1.030 79 N CA 0.789 53.776 53.050 -0.104 0.000 0.851 79 N CB 0.261 38.763 38.487 0.024 0.000 1.003 79 N HN 0.387 8.767 8.380 -0.000 0.000 0.430 80 E N 1.255 121.442 120.200 -0.022 0.000 2.012 80 E HA -0.006 4.343 4.350 -0.002 0.000 0.192 80 E C 1.746 178.333 176.600 -0.022 0.000 0.977 80 E CA 0.573 56.963 56.400 -0.016 0.000 0.832 80 E CB 0.047 29.749 29.700 0.003 0.000 0.790 80 E HN 0.173 8.533 8.360 -0.000 0.000 0.466 81 L N 0.647 121.870 121.223 -0.000 0.000 2.456 81 L HA -0.032 4.307 4.340 -0.002 0.000 0.224 81 L C 0.349 177.215 176.870 -0.008 0.000 1.148 81 L CA 0.550 55.398 54.840 0.014 0.000 0.825 81 L CB -0.556 41.541 42.059 0.063 0.000 0.937 81 L HN 0.205 8.435 8.230 -0.000 0.000 0.450 82 K N 0.186 120.559 120.400 -0.046 0.000 3.653 82 K HA -0.170 4.148 4.320 -0.002 0.000 0.275 82 K C 0.173 176.747 176.600 -0.043 0.000 0.962 82 K CA 0.310 56.547 56.287 -0.084 0.000 0.773 82 K CB -1.511 30.938 32.500 -0.086 0.000 1.463 82 K HN 0.390 8.640 8.250 -0.000 0.000 0.450 83 A N 0.494 123.307 122.820 -0.013 0.000 2.286 83 A HA 0.439 4.757 4.320 -0.002 0.000 0.286 83 A C 1.424 178.993 177.584 -0.025 0.000 1.097 83 A CA -0.112 51.928 52.037 0.006 0.000 0.821 83 A CB 0.763 19.779 19.000 0.026 0.000 1.076 83 A HN 0.330 8.480 8.150 -0.000 0.000 0.490 84 S N -0.625 115.052 115.700 -0.040 0.000 2.368 84 S HA -0.036 4.432 4.470 -0.002 0.000 0.225 84 S C -0.026 174.369 174.600 -0.340 0.000 1.030 84 S CA 1.493 59.592 58.200 -0.168 0.000 0.999 84 S CB -0.383 62.757 63.200 -0.100 0.000 0.844 84 S HN 0.621 8.931 8.310 -0.000 0.000 0.459 85 Y N -0.713 119.542 120.300 -0.075 0.000 2.570 85 Y HA 0.564 5.113 4.550 -0.002 0.000 0.345 85 Y C -0.296 175.534 175.900 -0.116 0.000 1.014 85 Y CA -1.073 56.975 58.100 -0.086 0.000 1.063 85 Y CB 1.116 39.584 38.460 0.014 0.000 1.272 85 Y HN -0.059 8.221 8.280 -0.000 0.000 0.477 86 I N 2.390 122.960 120.570 0.001 0.000 2.330 86 I HA 0.183 4.352 4.170 -0.002 0.000 0.286 86 I C -0.204 175.963 176.117 0.083 0.000 1.025 86 I CA -0.516 60.714 61.300 -0.117 0.000 1.197 86 I CB 0.806 38.522 38.000 -0.473 0.000 1.358 86 I HN 0.491 8.701 8.210 -0.000 0.000 0.467 87 E N 7.899 128.202 120.200 0.173 0.000 2.194 87 E HA 0.420 4.769 4.350 -0.002 0.000 0.284 87 E C -0.988 175.828 176.600 0.360 0.000 1.035 87 E CA -0.338 56.228 56.400 0.278 0.000 0.836 87 E CB 1.154 31.019 29.700 0.275 0.000 1.070 87 E HN 0.505 8.865 8.360 -0.000 0.000 0.401 88 I N 3.438 124.195 120.570 0.311 0.000 2.509 88 I HA 0.247 4.416 4.170 -0.002 0.000 0.293 88 I C -0.307 175.878 176.117 0.113 0.000 1.020 88 I CA -0.865 60.581 61.300 0.242 0.000 1.088 88 I CB 1.878 39.944 38.000 0.110 0.000 1.267 88 I HN 0.217 8.427 8.210 -0.000 0.000 0.430 89 D N 6.918 127.232 120.400 -0.144 0.000 2.256 89 D HA 0.484 5.122 4.640 -0.002 0.000 0.240 89 D C -0.537 175.643 176.300 -0.201 0.000 1.062 89 D CA -0.240 53.683 54.000 -0.129 0.000 0.832 89 D CB 2.285 43.047 40.800 -0.063 0.000 1.135 89 D HN 0.256 8.626 8.370 -0.000 0.000 0.484 90 L N 2.468 123.622 121.223 -0.115 0.000 2.307 90 L HA 0.359 4.698 4.340 -0.002 0.000 0.282 90 L C 0.397 177.152 176.870 -0.193 0.000 1.051 90 L CA -0.547 54.204 54.840 -0.149 0.000 0.804 90 L CB 1.004 42.987 42.059 -0.126 0.000 1.197 90 L HN 0.103 8.333 8.230 -0.000 0.000 0.431 91 Q N 2.650 122.288 119.800 -0.271 0.000 2.544 91 Q HA 0.562 4.901 4.340 -0.002 0.000 0.291 91 Q C -1.280 174.396 176.000 -0.541 0.000 1.068 91 Q CA -0.829 54.739 55.803 -0.391 0.000 0.785 91 Q CB 3.356 32.023 28.738 -0.118 0.000 1.481 91 Q HN 0.499 8.769 8.270 -0.000 0.000 0.430 92 R N -0.103 119.957 120.500 -0.734 0.000 2.750 92 R HA 0.573 4.912 4.340 -0.002 0.000 0.281 92 R C -0.330 175.952 176.300 -0.029 0.000 0.972 92 R CA -0.210 55.667 56.100 -0.372 0.000 0.912 92 R CB 1.482 31.498 30.300 -0.474 0.000 1.187 92 R HN 0.840 9.110 8.270 -0.000 0.000 0.464 93 T N -0.471 114.104 114.554 0.035 0.000 2.788 93 T HA 0.125 4.474 4.350 -0.002 0.000 0.280 93 T C 1.162 175.935 174.700 0.122 0.000 0.984 93 T CA -0.618 61.549 62.100 0.112 0.000 0.972 93 T CB 1.153 70.107 68.868 0.143 0.000 1.039 93 T HN 0.717 8.957 8.240 -0.000 0.000 0.530 94 K N 0.367 120.846 120.400 0.131 0.000 2.074 94 K HA -0.172 4.147 4.320 -0.002 0.000 0.209 94 K C 0.933 177.578 176.600 0.075 0.000 1.048 94 K CA 1.972 58.318 56.287 0.098 0.000 0.926 94 K CB -0.410 32.140 32.500 0.082 0.000 0.713 94 K HN 0.824 9.074 8.250 -0.000 0.000 0.444 95 D N -1.126 119.329 120.400 0.091 0.000 2.434 95 D HA 0.100 4.739 4.640 -0.002 0.000 0.232 95 D C 0.717 176.999 176.300 -0.029 0.000 1.166 95 D CA 0.484 54.517 54.000 0.056 0.000 0.830 95 D CB 0.058 40.922 40.800 0.105 0.000 0.960 95 D HN 0.376 8.746 8.370 -0.000 0.000 0.497 96 G N 0.646 109.436 108.800 -0.016 0.000 2.160 96 G HA2 -0.265 3.693 3.960 -0.002 0.000 0.251 96 G HA3 -0.265 3.693 3.960 -0.002 0.000 0.251 96 G C -0.188 174.610 174.900 -0.171 0.000 1.008 96 G CA -0.208 44.839 45.100 -0.088 0.000 0.724 96 G HN 0.571 8.861 8.290 -0.000 0.000 0.514 97 H N -0.404 118.651 119.070 -0.026 0.000 2.562 97 H HA 0.363 4.918 4.556 -0.002 0.000 0.314 97 H C 0.983 176.263 175.328 -0.080 0.000 1.079 97 H CA -0.337 55.688 56.048 -0.039 0.000 1.349 97 H CB 1.060 30.809 29.762 -0.021 0.000 1.432 97 H HN 0.163 8.443 8.280 -0.000 0.000 0.479 98 L N 4.447 125.680 121.223 0.017 0.000 2.410 98 L HA 0.131 4.470 4.340 -0.002 0.000 0.273 98 L C 0.459 177.308 176.870 -0.036 0.000 1.144 98 L CA -0.255 54.544 54.840 -0.068 0.000 0.863 98 L CB 0.497 42.510 42.059 -0.076 0.000 1.140 98 L HN 0.333 8.563 8.230 -0.000 0.000 0.463 99 V N 0.736 120.601 119.914 -0.083 0.000 3.102 99 V HA 0.859 4.977 4.120 -0.002 0.000 0.312 99 V C -0.166 175.868 176.094 -0.100 0.000 1.135 99 V CA -1.015 61.246 62.300 -0.066 0.000 1.022 99 V CB 1.812 33.597 31.823 -0.062 0.000 1.056 99 V HN 0.737 8.927 8.190 -0.000 0.000 0.436 100 A N 4.219 126.993 122.820 -0.076 0.000 2.276 100 A HA 0.881 5.200 4.320 -0.002 0.000 0.300 100 A C -0.396 177.064 177.584 -0.208 0.000 1.235 100 A CA -0.357 51.583 52.037 -0.161 0.000 0.867 100 A CB 0.264 19.260 19.000 -0.006 0.000 1.137 100 A HN 1.507 9.657 8.150 -0.000 0.000 0.527 101 M N 2.131 121.550 119.600 -0.302 0.000 2.415 101 M HA 0.197 4.676 4.480 -0.002 0.000 0.292 101 M C -0.227 176.030 176.300 -0.072 0.000 1.107 101 M CA -0.497 54.727 55.300 -0.126 0.000 0.927 101 M CB 1.357 33.910 32.600 -0.077 0.000 1.808 101 M HN 0.991 9.281 8.290 -0.000 0.000 0.509 102 H N 1.799 120.882 119.070 0.023 0.000 2.307 102 H HA 0.129 4.684 4.556 -0.002 0.000 0.303 102 H C -0.271 175.063 175.328 0.011 0.000 1.073 102 H CA 2.251 58.327 56.048 0.047 0.000 1.338 102 H CB 0.459 30.273 29.762 0.087 0.000 1.389 102 H HN 0.613 8.893 8.280 -0.000 0.000 0.503 103 D N 0.109 120.521 120.400 0.020 0.000 2.354 103 D HA 0.014 4.652 4.640 -0.002 0.000 0.247 103 D C 0.923 177.201 176.300 -0.036 0.000 1.138 103 D CA -0.059 53.919 54.000 -0.037 0.000 0.958 103 D CB 0.684 41.481 40.800 -0.004 0.000 1.144 103 D HN 0.499 8.869 8.370 -0.000 0.000 0.458 104 E N -0.578 119.609 120.200 -0.022 0.000 2.481 104 E HA 0.012 4.361 4.350 -0.002 0.000 0.195 104 E C 0.265 176.879 176.600 0.024 0.000 1.047 104 E CA 0.457 56.872 56.400 0.026 0.000 0.867 104 E CB 0.137 29.836 29.700 -0.001 0.000 0.858 104 E HN 0.451 8.811 8.360 -0.000 0.000 0.513 105 T N -1.850 112.697 114.554 -0.012 0.000 2.887 105 T HA 0.289 4.638 4.350 -0.002 0.000 0.288 105 T C 0.986 175.649 174.700 -0.062 0.000 1.021 105 T CA -0.830 61.260 62.100 -0.017 0.000 1.000 105 T CB 2.043 70.887 68.868 -0.040 0.000 1.034 105 T HN -0.075 8.165 8.240 -0.000 0.000 0.467 106 V N -0.163 119.711 119.914 -0.068 0.000 3.461 106 V HA 0.035 4.153 4.120 -0.002 0.000 0.267 106 V C 1.770 177.795 176.094 -0.116 0.000 1.186 106 V CA 0.650 62.871 62.300 -0.133 0.000 1.154 106 V CB -1.520 30.159 31.823 -0.240 0.000 0.802 106 V HN 0.724 8.914 8.190 -0.000 0.000 0.474 107 N N 2.060 120.691 118.700 -0.116 0.000 2.021 107 N HA -0.242 4.496 4.740 -0.002 0.000 0.198 107 N C 1.931 177.356 175.510 -0.141 0.000 1.041 107 N CA 2.573 55.522 53.050 -0.168 0.000 0.862 107 N CB -0.556 37.722 38.487 -0.348 0.000 1.048 107 N HN 0.599 8.979 8.380 -0.000 0.000 0.427 108 R N -0.054 120.328 120.500 -0.196 0.000 2.081 108 R HA -0.067 4.272 4.340 -0.002 0.000 0.235 108 R C 0.990 176.967 176.300 -0.538 0.000 1.131 108 R CA 1.821 57.763 56.100 -0.263 0.000 0.960 108 R CB -0.238 29.910 30.300 -0.252 0.000 0.856 108 R HN 0.481 8.751 8.270 -0.000 0.000 0.436 109 T N -2.504 111.651 114.554 -0.664 0.000 3.134 109 T HA 0.155 4.503 4.350 -0.002 0.000 0.260 109 T C 0.244 174.637 174.700 -0.512 0.000 1.027 109 T CA 0.050 61.431 62.100 -1.198 0.000 0.913 109 T CB 0.375 68.649 68.868 -0.990 0.000 1.046 109 T HN 0.336 8.576 8.240 -0.000 0.000 0.553 110 T N -0.835 113.610 114.554 -0.182 0.000 2.787 110 T HA 0.389 4.738 4.350 -0.002 0.000 0.297 110 T C -0.251 174.502 174.700 0.089 0.000 1.221 110 T CA -0.749 61.357 62.100 0.010 0.000 1.006 110 T CB 1.246 70.082 68.868 -0.054 0.000 1.328 110 T HN 0.026 8.266 8.240 -0.000 0.000 0.509 111 N N -0.081 118.681 118.700 0.103 0.000 2.362 111 N HA 0.280 5.019 4.740 -0.002 0.000 0.211 111 N C 0.475 176.046 175.510 0.101 0.000 1.170 111 N CA -0.309 52.806 53.050 0.108 0.000 0.828 111 N CB 0.058 38.602 38.487 0.094 0.000 1.034 111 N HN 0.919 9.299 8.380 -0.000 0.000 0.475 112 G N -1.100 107.780 108.800 0.132 0.000 2.714 112 G HA2 0.519 4.478 3.960 -0.002 0.000 0.292 112 G HA3 0.519 4.478 3.960 -0.002 0.000 0.292 112 G C -1.596 173.537 174.900 0.388 0.000 1.308 112 G CA -0.581 44.639 45.100 0.201 0.000 0.964 112 G HN 0.335 8.625 8.290 -0.000 0.000 0.484 113 H N -1.468 117.709 119.070 0.179 0.000 2.821 113 H HA 0.622 5.177 4.556 -0.002 0.000 0.373 113 H C 0.227 175.697 175.328 0.238 0.000 1.165 113 H CA -0.141 55.992 56.048 0.142 0.000 1.154 113 H CB 2.424 32.238 29.762 0.086 0.000 1.765 113 H HN 1.258 9.538 8.280 -0.000 0.000 0.549 114 G N 1.582 110.529 108.800 0.246 0.000 2.381 114 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.672 114 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.672 114 G C -1.495 173.527 174.900 0.204 0.000 1.324 114 G CA -1.113 44.121 45.100 0.223 0.000 0.975 114 G HN 0.433 8.723 8.290 -0.000 0.000 0.593 115 K N 0.365 120.860 120.400 0.158 0.000 2.270 115 K HA 0.401 4.720 4.320 -0.002 0.000 0.276 115 K C 1.665 178.398 176.600 0.222 0.000 1.023 115 K CA -0.275 56.090 56.287 0.129 0.000 0.955 115 K CB 2.014 34.558 32.500 0.074 0.000 0.975 115 K HN 0.340 8.590 8.250 -0.000 0.000 0.471 116 V N 2.322 122.335 119.914 0.164 0.000 2.317 116 V HA -0.301 3.818 4.120 -0.002 0.000 0.251 116 V C 2.243 178.475 176.094 0.229 0.000 1.065 116 V CA 2.351 64.747 62.300 0.160 0.000 1.049 116 V CB -0.898 30.984 31.823 0.099 0.000 0.651 116 V HN 0.907 9.097 8.190 -0.000 0.000 0.450 117 E N -0.289 120.042 120.200 0.218 0.000 2.516 117 E HA -0.196 4.153 4.350 -0.002 0.000 0.199 117 E C 1.044 177.730 176.600 0.144 0.000 1.069 117 E CA 1.109 57.627 56.400 0.196 0.000 0.876 117 E CB -0.227 29.593 29.700 0.201 0.000 0.843 117 E HN 0.557 8.917 8.360 -0.000 0.000 0.530 118 D N -0.176 120.316 120.400 0.153 0.000 2.354 118 D HA 0.030 4.669 4.640 -0.002 0.000 0.209 118 D C -0.489 175.799 176.300 -0.020 0.000 1.015 118 D CA 0.370 54.393 54.000 0.039 0.000 0.867 118 D CB 0.144 40.930 40.800 -0.023 0.000 0.933 118 D HN 0.231 8.601 8.370 -0.000 0.000 0.520 119 Y N 0.668 120.992 120.300 0.039 0.000 2.387 119 Y HA 0.226 4.774 4.550 -0.002 0.000 0.330 119 Y C 1.192 177.116 175.900 0.040 0.000 1.133 119 Y CA -0.863 57.257 58.100 0.034 0.000 1.152 119 Y CB 1.253 39.730 38.460 0.029 0.000 1.215 119 Y HN -0.279 8.001 8.280 -0.000 0.000 0.466 120 T N 0.078 114.743 114.554 0.185 0.000 2.918 120 T HA 0.155 4.503 4.350 -0.002 0.000 0.283 120 T C 0.929 175.708 174.700 0.132 0.000 1.001 120 T CA -0.835 61.348 62.100 0.138 0.000 1.041 120 T CB 1.122 70.046 68.868 0.094 0.000 1.028 120 T HN 0.641 8.881 8.240 -0.000 0.000 0.511 121 L N 0.886 122.169 121.223 0.100 0.000 2.051 121 L HA -0.143 4.196 4.340 -0.002 0.000 0.214 121 L C 2.182 179.043 176.870 -0.015 0.000 1.076 121 L CA 2.054 56.887 54.840 -0.010 0.000 0.758 121 L CB -1.130 40.791 42.059 -0.230 0.000 0.890 121 L HN 0.917 9.147 8.230 -0.000 0.000 0.433 122 D N -0.719 119.685 120.400 0.007 0.000 2.123 122 D HA -0.219 4.420 4.640 -0.002 0.000 0.196 122 D C 1.920 178.249 176.300 0.048 0.000 0.992 122 D CA 1.677 55.685 54.000 0.014 0.000 0.833 122 D CB 0.190 41.004 40.800 0.023 0.000 0.954 122 D HN 0.616 8.986 8.370 -0.000 0.000 0.455 123 E N 0.060 120.320 120.200 0.100 0.000 2.047 123 E HA -0.157 4.191 4.350 -0.002 0.000 0.191 123 E C 2.188 178.900 176.600 0.188 0.000 0.987 123 E CA 0.224 56.726 56.400 0.170 0.000 0.799 123 E CB -0.088 29.752 29.700 0.234 0.000 0.752 123 E HN 0.134 8.494 8.360 -0.000 0.000 0.449 124 L N 1.577 122.885 121.223 0.141 0.000 2.127 124 L HA -0.174 4.165 4.340 -0.002 0.000 0.211 124 L C 1.809 178.641 176.870 -0.062 0.000 1.089 124 L CA 1.636 56.443 54.840 -0.055 0.000 0.757 124 L CB -0.072 41.937 42.059 -0.083 0.000 0.899 124 L HN -0.113 8.117 8.230 -0.000 0.000 0.434 125 K N -0.617 119.767 120.400 -0.026 0.000 2.442 125 K HA -0.066 4.253 4.320 -0.002 0.000 0.198 125 K C 1.888 178.481 176.600 -0.012 0.000 1.042 125 K CA 0.518 56.783 56.287 -0.037 0.000 0.958 125 K CB -0.047 32.430 32.500 -0.037 0.000 0.766 125 K HN 0.461 8.711 8.250 -0.000 0.000 0.474 126 Q N 0.208 120.017 119.800 0.016 0.000 2.269 126 Q HA 0.102 4.440 4.340 -0.002 0.000 0.201 126 Q C 1.064 177.081 176.000 0.027 0.000 0.946 126 Q CA 0.279 56.101 55.803 0.032 0.000 0.877 126 Q CB -0.083 28.692 28.738 0.061 0.000 0.963 126 Q HN 0.296 8.566 8.270 -0.000 0.000 0.472 127 L N 1.664 122.889 121.223 0.004 0.000 2.482 127 L HA 0.008 4.347 4.340 -0.002 0.000 0.273 127 L C 0.657 177.536 176.870 0.015 0.000 1.228 127 L CA 0.109 54.947 54.840 -0.004 0.000 0.827 127 L CB 0.121 42.130 42.059 -0.083 0.000 1.099 127 L HN 0.027 8.257 8.230 -0.000 0.000 0.494 128 D N 0.845 121.274 120.400 0.048 0.000 2.427 128 D HA 0.331 4.969 4.640 -0.002 0.000 0.226 128 D C 0.027 176.406 176.300 0.132 0.000 1.076 128 D CA -0.339 53.712 54.000 0.086 0.000 0.849 128 D CB 1.847 42.711 40.800 0.106 0.000 1.052 128 D HN 0.561 8.931 8.370 -0.000 0.000 0.515 129 A N 2.656 125.551 122.820 0.125 0.000 2.423 129 A HA 0.430 4.749 4.320 -0.002 0.000 0.246 129 A C 1.304 179.109 177.584 0.370 0.000 1.278 129 A CA 0.407 52.563 52.037 0.199 0.000 0.903 129 A CB 0.419 19.461 19.000 0.069 0.000 0.997 129 A HN 0.579 8.729 8.150 -0.000 0.000 0.510 130 G N -1.454 107.507 108.800 0.269 0.000 2.834 130 G HA2 0.105 4.063 3.960 -0.002 0.000 0.198 130 G HA3 0.105 4.063 3.960 -0.002 0.000 0.198 130 G C 1.477 176.419 174.900 0.069 0.000 1.070 130 G CA 0.994 46.169 45.100 0.124 0.000 0.771 130 G HN 0.334 8.624 8.290 -0.000 0.000 0.601 131 S N 1.235 117.034 115.700 0.166 0.000 2.381 131 S HA -0.200 4.268 4.470 -0.002 0.000 0.230 131 S C 2.020 176.677 174.600 0.095 0.000 1.052 131 S CA 1.908 60.192 58.200 0.140 0.000 1.068 131 S CB -0.590 62.702 63.200 0.154 0.000 0.918 131 S HN 0.750 9.060 8.310 -0.000 0.000 0.448 132 W N 1.149 122.538 121.300 0.148 0.000 2.331 132 W HA -0.211 4.447 4.660 -0.003 0.000 0.291 132 W C 1.768 178.400 176.519 0.188 0.000 1.214 132 W CA 0.859 58.285 57.345 0.134 0.000 1.228 132 W CB -1.218 28.312 29.460 0.116 0.000 1.135 132 W HN 0.334 8.514 8.180 -0.000 0.000 0.537 133 F N 3.285 122.408 119.950 -1.378 0.000 2.146 133 F HA -0.145 4.381 4.527 -0.002 0.000 0.298 133 F C 2.208 177.839 175.800 -0.281 0.000 1.096 133 F CA 2.206 59.508 58.000 -1.163 0.000 1.275 133 F CB -0.790 37.561 39.000 -1.081 0.000 1.008 133 F HN -0.276 8.024 8.300 -0.000 0.000 0.480 134 N N 0.917 119.589 118.700 -0.047 0.000 2.104 134 N HA -0.230 4.509 4.740 -0.002 0.000 0.190 134 N C 1.907 177.359 175.510 -0.098 0.000 1.024 134 N CA 1.548 54.599 53.050 0.002 0.000 0.853 134 N CB -0.574 37.966 38.487 0.089 0.000 1.008 134 N HN 0.377 8.757 8.380 -0.000 0.000 0.424 135 K N 1.221 121.575 120.400 -0.077 0.000 2.097 135 K HA -0.077 4.241 4.320 -0.002 0.000 0.205 135 K C 1.922 178.435 176.600 -0.146 0.000 1.050 135 K CA 1.151 57.400 56.287 -0.064 0.000 0.938 135 K CB 0.086 32.593 32.500 0.012 0.000 0.718 135 K HN 0.025 8.275 8.250 -0.000 0.000 0.442 136 K N -0.719 119.534 120.400 -0.244 0.000 2.186 136 K HA -0.066 4.252 4.320 -0.002 0.000 0.202 136 K C -0.238 175.897 176.600 -0.774 0.000 1.052 136 K CA 0.751 56.765 56.287 -0.456 0.000 0.965 136 K CB 0.295 32.526 32.500 -0.449 0.000 0.746 136 K HN 0.095 8.345 8.250 -0.000 0.000 0.457 137 Y N -0.015 120.043 120.300 -0.403 0.000 2.562 137 Y HA 0.289 4.838 4.550 -0.002 0.000 0.363 137 Y C -2.211 173.524 175.900 -0.274 0.000 0.991 137 Y CA -2.427 55.455 58.100 -0.363 0.000 1.121 137 Y CB 1.382 39.475 38.460 -0.612 0.000 1.159 137 Y HN 0.101 8.381 8.280 -0.000 0.000 0.651 138 P HA -0.257 4.163 4.420 -0.000 0.000 0.217 138 P C 1.329 178.590 177.300 -0.065 0.000 1.148 138 P CA 1.763 64.820 63.100 -0.072 0.000 0.834 138 P CB 0.276 31.932 31.700 -0.074 0.000 0.783 139 K N -2.239 118.090 120.400 -0.119 0.000 2.439 139 K HA -0.090 4.229 4.320 -0.002 0.000 0.197 139 K C 0.731 177.152 176.600 -0.299 0.000 1.041 139 K CA 1.284 57.425 56.287 -0.244 0.000 0.970 139 K CB -0.418 31.860 32.500 -0.370 0.000 0.773 139 K HN 0.143 8.393 8.250 -0.000 0.000 0.479 140 Y N 0.512 120.884 120.300 0.119 0.000 2.500 140 Y HA 0.422 4.970 4.550 -0.002 0.000 0.246 140 Y C 0.786 176.854 175.900 0.282 0.000 1.146 140 Y CA -0.797 57.451 58.100 0.247 0.000 1.230 140 Y CB 0.265 38.978 38.460 0.422 0.000 1.214 140 Y HN 0.121 8.401 8.280 -0.000 0.000 0.526 141 A N 1.570 124.540 122.820 0.249 0.000 2.614 141 A HA 0.271 4.589 4.320 -0.002 0.000 0.231 141 A C 0.360 177.937 177.584 -0.011 0.000 1.076 141 A CA 0.497 52.639 52.037 0.174 0.000 0.767 141 A CB 0.053 19.086 19.000 0.054 0.000 1.012 141 A HN 0.484 8.634 8.150 -0.000 0.000 0.512 142 R N 0.059 120.441 120.500 -0.196 0.000 2.563 142 R HA 0.467 4.806 4.340 -0.002 0.000 0.262 142 R C 0.614 176.749 176.300 -0.276 0.000 1.128 142 R CA 0.089 55.928 56.100 -0.435 0.000 0.969 142 R CB 0.904 30.555 30.300 -1.081 0.000 1.251 142 R HN 0.987 9.257 8.270 -0.000 0.000 0.442 143 A N 1.609 124.340 122.820 -0.148 0.000 1.940 143 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 143 A C 1.677 179.250 177.584 -0.019 0.000 1.176 143 A CA 2.152 54.158 52.037 -0.052 0.000 0.631 143 A CB -0.620 18.360 19.000 -0.034 0.000 0.814 143 A HN 0.834 8.984 8.150 -0.000 0.000 0.446 144 S N -1.415 114.250 115.700 -0.058 0.000 2.442 144 S HA -0.162 4.306 4.470 -0.002 0.000 0.236 144 S C 1.690 176.400 174.600 0.183 0.000 1.007 144 S CA 1.183 59.407 58.200 0.040 0.000 0.965 144 S CB -0.696 62.523 63.200 0.032 0.000 0.773 144 S HN 0.535 8.845 8.310 -0.000 0.000 0.504 145 Y N 1.966 122.286 120.300 0.033 0.000 2.421 145 Y HA 0.272 4.820 4.550 -0.002 0.000 0.292 145 Y C 1.281 177.200 175.900 0.031 0.000 1.136 145 Y CA -0.528 57.583 58.100 0.019 0.000 1.255 145 Y CB -0.786 37.689 38.460 0.025 0.000 0.991 145 Y HN 0.308 8.588 8.280 -0.000 0.000 0.552 146 K N 1.521 122.037 120.400 0.193 0.000 2.436 146 K HA -0.088 4.230 4.320 -0.002 0.000 0.275 146 K C 0.676 177.343 176.600 0.111 0.000 0.999 146 K CA 0.215 56.582 56.287 0.133 0.000 0.980 146 K CB 0.098 32.655 32.500 0.094 0.000 0.919 146 K HN 0.215 8.465 8.250 -0.000 0.000 0.484 147 N N -0.385 118.374 118.700 0.099 0.000 2.741 147 N HA -0.195 4.543 4.740 -0.002 0.000 0.250 147 N C -0.760 174.786 175.510 0.061 0.000 1.115 147 N CA 0.904 53.999 53.050 0.075 0.000 0.724 147 N CB -0.818 37.706 38.487 0.062 0.000 1.090 147 N HN 0.720 9.100 8.380 -0.000 0.000 0.558 148 A N 0.221 123.082 122.820 0.068 0.000 2.483 148 A HA 0.333 4.652 4.320 -0.002 0.000 0.238 148 A C 0.755 178.334 177.584 -0.010 0.000 1.070 148 A CA 0.390 52.443 52.037 0.027 0.000 0.770 148 A CB 0.623 19.626 19.000 0.004 0.000 1.008 148 A HN 0.110 8.260 8.150 -0.000 0.000 0.497 149 K N 0.781 121.134 120.400 -0.078 0.000 2.166 149 K HA 0.500 4.819 4.320 -0.002 0.000 0.245 149 K C -0.580 175.919 176.600 -0.168 0.000 0.967 149 K CA -0.812 55.406 56.287 -0.116 0.000 0.863 149 K CB 1.559 33.974 32.500 -0.142 0.000 1.107 149 K HN 0.372 8.622 8.250 -0.000 0.000 0.436 150 V N 4.616 124.447 119.914 -0.138 0.000 2.555 150 V HA 0.162 4.281 4.120 -0.002 0.000 0.286 150 V C -1.831 174.156 176.094 -0.179 0.000 1.044 150 V CA -1.100 61.122 62.300 -0.130 0.000 1.026 150 V CB 0.848 32.604 31.823 -0.112 0.000 0.981 150 V HN 0.646 8.836 8.190 -0.000 0.000 0.480 151 P HA 0.344 4.764 4.420 -0.000 0.000 0.287 151 P C -0.491 176.791 177.300 -0.030 0.000 1.270 151 P CA -0.350 62.651 63.100 -0.164 0.000 0.844 151 P CB 1.605 33.242 31.700 -0.104 0.000 1.068 152 T N -0.527 114.022 114.554 -0.008 0.000 2.918 152 T HA 0.167 4.515 4.350 -0.002 0.000 0.283 152 T C 1.234 175.960 174.700 0.045 0.000 1.001 152 T CA -0.687 61.419 62.100 0.010 0.000 1.041 152 T CB 0.529 69.400 68.868 0.005 0.000 1.028 152 T HN 0.202 8.442 8.240 -0.000 0.000 0.511 153 L N 0.796 122.028 121.223 0.015 0.000 2.083 153 L HA 0.030 4.368 4.340 -0.002 0.000 0.209 153 L C 2.049 178.889 176.870 -0.050 0.000 1.083 153 L CA 2.083 56.911 54.840 -0.018 0.000 0.752 153 L CB -1.162 40.870 42.059 -0.045 0.000 0.899 153 L HN 0.942 9.172 8.230 -0.000 0.000 0.433 154 D N -0.629 119.770 120.400 -0.002 0.000 2.092 154 D HA -0.225 4.414 4.640 -0.002 0.000 0.193 154 D C 2.026 178.297 176.300 -0.048 0.000 0.994 154 D CA 1.693 55.695 54.000 0.003 0.000 0.828 154 D CB 0.005 40.879 40.800 0.123 0.000 0.963 154 D HN 0.535 8.905 8.370 -0.000 0.000 0.450 155 E N -0.178 120.057 120.200 0.059 0.000 2.085 155 E HA -0.189 4.159 4.350 -0.002 0.000 0.194 155 E C 2.372 179.043 176.600 0.119 0.000 0.994 155 E CA 0.847 57.334 56.400 0.145 0.000 0.801 155 E CB -0.115 29.769 29.700 0.306 0.000 0.743 155 E HN 0.444 8.804 8.360 -0.000 0.000 0.453 156 I N 1.059 121.730 120.570 0.168 0.000 2.127 156 I HA -0.312 3.857 4.170 -0.002 0.000 0.241 156 I C 2.451 178.584 176.117 0.026 0.000 1.075 156 I CA 1.190 62.609 61.300 0.199 0.000 1.334 156 I CB -0.375 37.730 38.000 0.176 0.000 1.040 156 I HN 0.118 8.328 8.210 -0.000 0.000 0.405 157 L N 0.289 121.369 121.223 -0.238 0.000 2.042 157 L HA -0.234 4.104 4.340 -0.002 0.000 0.210 157 L C 2.625 179.270 176.870 -0.375 0.000 1.076 157 L CA 1.437 55.989 54.840 -0.480 0.000 0.749 157 L CB -0.705 40.787 42.059 -0.945 0.000 0.893 157 L HN 0.281 8.511 8.230 -0.000 0.000 0.432 158 E N 0.893 120.851 120.200 -0.403 0.000 2.033 158 E HA -0.284 4.064 4.350 -0.002 0.000 0.199 158 E C 2.282 178.789 176.600 -0.155 0.000 1.011 158 E CA 1.717 58.032 56.400 -0.141 0.000 0.815 158 E CB -0.157 29.522 29.700 -0.036 0.000 0.755 158 E HN 0.192 8.552 8.360 -0.000 0.000 0.451 159 R N -1.334 118.979 120.500 -0.311 0.000 2.070 159 R HA -0.159 4.180 4.340 -0.002 0.000 0.233 159 R C 1.777 177.687 176.300 -0.650 0.000 1.137 159 R CA 1.817 57.552 56.100 -0.607 0.000 0.945 159 R CB -0.351 29.286 30.300 -1.104 0.000 0.845 159 R HN 0.328 8.598 8.270 -0.000 0.000 0.430 160 Y N -0.107 120.164 120.300 -0.049 0.000 2.490 160 Y HA 0.297 4.846 4.550 -0.002 0.000 0.281 160 Y C 1.155 177.086 175.900 0.051 0.000 1.174 160 Y CA 0.370 58.445 58.100 -0.041 0.000 1.295 160 Y CB -0.001 38.325 38.460 -0.224 0.000 1.062 160 Y HN 0.387 8.667 8.280 -0.000 0.000 0.522 161 G N 1.605 110.489 108.800 0.139 0.000 2.915 161 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.337 161 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.337 161 G C -1.625 173.422 174.900 0.245 0.000 1.477 161 G CA -0.347 44.850 45.100 0.162 0.000 0.916 161 G HN 0.172 8.462 8.290 -0.000 0.000 0.550 162 P HA 0.001 4.421 4.420 -0.000 0.000 0.239 162 P C 0.825 178.192 177.300 0.113 0.000 1.184 162 P CA 0.871 64.068 63.100 0.161 0.000 0.760 162 P CB 0.092 31.859 31.700 0.110 0.000 0.884 163 N N -0.482 118.325 118.700 0.177 0.000 2.254 163 N HA 0.113 4.852 4.740 -0.002 0.000 0.190 163 N C 0.972 176.658 175.510 0.293 0.000 1.107 163 N CA 0.014 53.209 53.050 0.241 0.000 0.869 163 N CB 0.440 39.029 38.487 0.170 0.000 0.983 163 N HN 0.124 8.504 8.380 -0.000 0.000 0.487 164 A N 0.914 123.838 122.820 0.173 0.000 2.267 164 A HA 0.395 4.714 4.320 -0.002 0.000 0.271 164 A C 0.119 177.576 177.584 -0.211 0.000 1.131 164 A CA -0.117 51.834 52.037 -0.144 0.000 0.818 164 A CB 0.320 18.983 19.000 -0.562 0.000 1.118 164 A HN 0.109 8.259 8.150 -0.000 0.000 0.501 165 N N -0.654 117.731 118.700 -0.524 0.000 2.346 165 N HA 0.498 5.236 4.740 -0.002 0.000 0.289 165 N C -1.892 173.459 175.510 -0.265 0.000 1.027 165 N CA 0.023 52.859 53.050 -0.355 0.000 0.864 165 N CB 1.381 39.399 38.487 -0.782 0.000 1.370 165 N HN 0.539 8.919 8.380 -0.000 0.000 0.481 166 Y N 0.479 120.950 120.300 0.285 0.000 2.409 166 Y HA 0.373 4.922 4.550 -0.002 0.000 0.339 166 Y C -0.582 175.486 175.900 0.279 0.000 1.033 166 Y CA -0.865 57.384 58.100 0.248 0.000 1.094 166 Y CB 1.780 40.294 38.460 0.090 0.000 1.210 166 Y HN 0.436 8.716 8.280 -0.000 0.000 0.456 167 Y N 3.791 124.226 120.300 0.224 0.000 2.555 167 Y HA 0.536 5.085 4.550 -0.003 0.000 0.326 167 Y C -0.914 175.055 175.900 0.115 0.000 0.984 167 Y CA -0.730 57.397 58.100 0.044 0.000 1.298 167 Y CB 0.472 38.869 38.460 -0.104 0.000 1.094 167 Y HN 0.479 8.759 8.280 -0.000 0.000 0.500 168 I N 3.932 124.607 120.570 0.175 0.000 2.359 168 I HA 0.305 4.474 4.170 -0.002 0.000 0.294 168 I C -0.263 175.915 176.117 0.102 0.000 0.987 168 I CA -0.661 60.718 61.300 0.132 0.000 1.225 168 I CB 1.708 39.743 38.000 0.060 0.000 1.366 168 I HN 0.488 8.698 8.210 -0.000 0.000 0.466 169 E N 4.770 125.030 120.200 0.099 0.000 2.166 169 E HA 0.425 4.774 4.350 -0.002 0.000 0.275 169 E C -0.828 175.791 176.600 0.031 0.000 0.941 169 E CA -0.568 55.871 56.400 0.065 0.000 0.784 169 E CB 1.426 31.172 29.700 0.076 0.000 1.115 169 E HN 0.707 9.067 8.360 -0.000 0.000 0.399 170 T N 1.257 115.830 114.554 0.031 0.000 2.940 170 T HA 0.564 4.913 4.350 -0.002 0.000 0.288 170 T C -0.138 174.604 174.700 0.070 0.000 1.033 170 T CA -0.958 61.164 62.100 0.036 0.000 1.033 170 T CB 1.831 70.716 68.868 0.028 0.000 1.079 170 T HN 0.218 8.458 8.240 -0.000 0.000 0.496 171 K N 0.598 121.058 120.400 0.100 0.000 2.632 171 K HA 0.669 4.988 4.320 -0.002 0.000 0.267 171 K C 0.275 176.928 176.600 0.088 0.000 1.028 171 K CA -0.785 55.571 56.287 0.115 0.000 1.045 171 K CB 0.409 33.007 32.500 0.164 0.000 1.400 171 K HN 0.634 8.884 8.250 -0.000 0.000 0.522 172 S N 2.166 117.901 115.700 0.059 0.000 2.564 172 S HA 0.102 4.571 4.470 -0.002 0.000 0.278 172 S C -1.934 172.684 174.600 0.030 0.000 1.333 172 S CA -0.878 57.341 58.200 0.031 0.000 1.048 172 S CB 0.638 63.840 63.200 0.004 0.000 0.900 172 S HN 0.312 8.622 8.310 -0.000 0.000 0.505 173 P HA -0.125 4.295 4.420 -0.000 0.000 0.229 173 P C 0.852 178.156 177.300 0.007 0.000 1.150 173 P CA 0.804 63.914 63.100 0.016 0.000 0.765 173 P CB 0.062 31.761 31.700 -0.001 0.000 0.783 174 D N -1.608 118.787 120.400 -0.009 0.000 2.379 174 D HA -0.041 4.597 4.640 -0.002 0.000 0.218 174 D C 1.831 178.092 176.300 -0.065 0.000 1.006 174 D CA 0.368 54.350 54.000 -0.030 0.000 0.893 174 D CB -0.821 39.958 40.800 -0.036 0.000 1.019 174 D HN 0.044 8.414 8.370 -0.000 0.000 0.503 175 V N -0.404 119.455 119.914 -0.091 0.000 2.358 175 V HA -0.105 4.014 4.120 -0.002 0.000 0.246 175 V C 0.094 175.977 176.094 -0.352 0.000 1.047 175 V CA 1.154 63.308 62.300 -0.244 0.000 1.035 175 V CB -0.481 31.175 31.823 -0.277 0.000 0.658 175 V HN 0.163 8.353 8.190 -0.000 0.000 0.452 176 Y N 0.662 120.951 120.300 -0.017 0.000 2.584 176 Y HA 0.503 5.052 4.550 -0.002 0.000 0.358 176 Y C -2.514 173.375 175.900 -0.019 0.000 1.028 176 Y CA -3.247 54.843 58.100 -0.017 0.000 1.148 176 Y CB 0.364 38.814 38.460 -0.017 0.000 1.126 176 Y HN 0.253 8.533 8.280 -0.000 0.000 0.658 177 P HA 0.094 4.514 4.420 -0.000 0.000 0.258 177 P C 1.005 178.334 177.300 0.048 0.000 1.172 177 P CA 1.799 64.930 63.100 0.052 0.000 0.762 177 P CB 0.532 32.246 31.700 0.024 0.000 0.764 178 G N 3.203 112.021 108.800 0.029 0.000 2.195 178 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.224 178 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.224 178 G C 0.928 175.830 174.900 0.003 0.000 0.990 178 G CA 0.303 45.409 45.100 0.010 0.000 0.639 178 G HN 0.524 8.814 8.290 -0.000 0.000 0.514 179 M N 0.468 120.081 119.600 0.022 0.000 2.073 179 M HA -0.096 4.383 4.480 -0.002 0.000 0.258 179 M C 2.354 178.644 176.300 -0.016 0.000 1.070 179 M CA 3.014 58.310 55.300 -0.007 0.000 1.103 179 M CB -0.187 32.425 32.600 0.020 0.000 1.321 179 M HN 0.296 8.586 8.290 -0.000 0.000 0.405 180 E N 0.502 120.700 120.200 -0.003 0.000 2.049 180 E HA -0.236 4.113 4.350 -0.002 0.000 0.198 180 E C 1.791 178.380 176.600 -0.017 0.000 1.007 180 E CA 2.061 58.455 56.400 -0.010 0.000 0.809 180 E CB -0.371 29.325 29.700 -0.007 0.000 0.749 180 E HN 0.554 8.914 8.360 -0.000 0.000 0.450 181 E N 0.631 120.820 120.200 -0.018 0.000 2.130 181 E HA -0.210 4.139 4.350 -0.002 0.000 0.196 181 E C 2.082 178.665 176.600 -0.028 0.000 0.998 181 E CA 1.327 57.713 56.400 -0.023 0.000 0.806 181 E CB -0.142 29.545 29.700 -0.023 0.000 0.738 181 E HN 0.336 8.696 8.360 -0.000 0.000 0.459 182 Q N -0.404 119.378 119.800 -0.031 0.000 2.046 182 Q HA -0.116 4.222 4.340 -0.002 0.000 0.200 182 Q C 2.203 178.182 176.000 -0.036 0.000 0.975 182 Q CA 0.978 56.758 55.803 -0.038 0.000 0.836 182 Q CB -0.210 28.499 28.738 -0.049 0.000 0.896 182 Q HN 0.221 8.491 8.270 -0.000 0.000 0.428 183 L N 0.936 122.138 121.223 -0.036 0.000 1.989 183 L HA -0.210 4.129 4.340 -0.002 0.000 0.211 183 L C 1.974 178.827 176.870 -0.030 0.000 1.071 183 L CA 1.769 56.588 54.840 -0.035 0.000 0.749 183 L CB -0.675 41.365 42.059 -0.032 0.000 0.890 183 L HN 0.206 8.436 8.230 -0.000 0.000 0.431 184 L N -0.562 120.646 121.223 -0.025 0.000 2.042 184 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 184 L C 2.687 179.540 176.870 -0.028 0.000 1.076 184 L CA 1.266 56.093 54.840 -0.022 0.000 0.749 184 L CB -1.023 41.025 42.059 -0.019 0.000 0.893 184 L HN 0.440 8.670 8.230 -0.000 0.000 0.432 185 A N -1.023 121.778 122.820 -0.032 0.000 1.902 185 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 185 A C 2.549 180.106 177.584 -0.045 0.000 1.181 185 A CA 2.106 54.118 52.037 -0.041 0.000 0.623 185 A CB -0.674 18.301 19.000 -0.041 0.000 0.818 185 A HN 0.345 8.495 8.150 -0.000 0.000 0.443 186 S N -0.561 115.125 115.700 -0.024 0.000 2.356 186 S HA -0.088 4.381 4.470 -0.002 0.000 0.223 186 S C 1.932 176.558 174.600 0.043 0.000 1.032 186 S CA 1.378 59.590 58.200 0.019 0.000 1.005 186 S CB -0.482 62.733 63.200 0.024 0.000 0.867 186 S HN 0.493 8.803 8.310 -0.000 0.000 0.449 187 L N 1.287 122.505 121.223 -0.008 0.000 2.012 187 L HA -0.158 4.181 4.340 -0.002 0.000 0.210 187 L C 2.692 179.541 176.870 -0.036 0.000 1.073 187 L CA 1.772 56.599 54.840 -0.022 0.000 0.748 187 L CB -0.514 41.528 42.059 -0.028 0.000 0.891 187 L HN 0.347 8.577 8.230 -0.000 0.000 0.431 188 K N 0.781 121.146 120.400 -0.058 0.000 2.057 188 K HA -0.263 4.056 4.320 -0.002 0.000 0.207 188 K C 2.251 178.723 176.600 -0.212 0.000 1.049 188 K CA 1.657 57.889 56.287 -0.091 0.000 0.931 188 K CB -0.065 32.394 32.500 -0.068 0.000 0.714 188 K HN 0.122 8.372 8.250 -0.000 0.000 0.440 189 K N -0.001 120.254 120.400 -0.241 0.000 2.074 189 K HA -0.191 4.127 4.320 -0.002 0.000 0.209 189 K C 1.165 177.319 176.600 -0.744 0.000 1.048 189 K CA 1.570 57.599 56.287 -0.429 0.000 0.926 189 K CB -0.140 32.117 32.500 -0.405 0.000 0.713 189 K HN 0.386 8.636 8.250 -0.000 0.000 0.444 190 H N -0.069 118.794 119.070 -0.345 0.000 2.592 190 H HA 0.038 4.593 4.556 -0.002 0.000 0.291 190 H C -0.271 174.925 175.328 -0.221 0.000 1.052 190 H CA 0.453 56.322 56.048 -0.298 0.000 1.175 190 H CB -0.057 29.615 29.762 -0.151 0.000 1.378 190 H HN 0.386 8.666 8.280 -0.000 0.000 0.576 191 H N -0.838 118.235 119.070 0.005 0.000 2.921 191 H HA -0.169 4.386 4.556 -0.002 0.000 0.281 191 H C 1.169 176.497 175.328 -0.001 0.000 1.165 191 H CA 0.623 56.668 56.048 -0.005 0.000 1.151 191 H CB -1.825 27.930 29.762 -0.011 0.000 1.311 191 H HN 0.403 8.683 8.280 -0.000 0.000 0.361 192 L N 0.208 121.468 121.223 0.062 0.000 2.592 192 L HA 0.104 4.443 4.340 -0.002 0.000 0.227 192 L C 2.237 179.138 176.870 0.052 0.000 1.127 192 L CA 0.218 55.092 54.840 0.058 0.000 0.884 192 L CB 0.177 42.266 42.059 0.050 0.000 1.065 192 L HN 0.161 8.391 8.230 -0.000 0.000 0.457 193 L N -0.386 120.859 121.223 0.037 0.000 2.567 193 L HA 0.063 4.402 4.340 -0.002 0.000 0.225 193 L C 0.782 177.680 176.870 0.047 0.000 1.119 193 L CA -0.283 54.581 54.840 0.041 0.000 0.871 193 L CB -0.204 41.869 42.059 0.024 0.000 1.036 193 L HN 0.319 8.549 8.230 -0.000 0.000 0.459 194 N N 0.654 119.380 118.700 0.042 0.000 2.412 194 N HA -0.146 4.593 4.740 -0.002 0.000 0.258 194 N C 0.736 176.258 175.510 0.019 0.000 1.236 194 N CA 0.456 53.525 53.050 0.031 0.000 0.882 194 N CB 0.525 39.027 38.487 0.026 0.000 1.066 194 N HN -0.020 8.360 8.380 -0.000 0.000 0.465 195 N N 2.457 121.157 118.700 -0.001 0.000 2.137 195 N HA -0.222 4.516 4.740 -0.002 0.000 0.190 195 N C 1.218 176.717 175.510 -0.019 0.000 1.017 195 N CA 1.060 54.086 53.050 -0.040 0.000 0.859 195 N CB -0.230 38.193 38.487 -0.106 0.000 1.002 195 N HN 0.618 8.998 8.380 -0.000 0.000 0.428 196 N N 0.619 119.314 118.700 -0.008 0.000 2.025 196 N HA -0.168 4.571 4.740 -0.002 0.000 0.194 196 N C 1.232 176.768 175.510 0.044 0.000 1.044 196 N CA 1.160 54.215 53.050 0.009 0.000 0.851 196 N CB 0.098 38.584 38.487 -0.002 0.000 1.036 196 N HN 0.129 8.509 8.380 -0.000 0.000 0.422 197 K N 1.219 121.629 120.400 0.015 0.000 2.103 197 K HA -0.104 4.215 4.320 -0.002 0.000 0.207 197 K C 2.235 178.942 176.600 0.179 0.000 1.048 197 K CA 0.615 56.917 56.287 0.027 0.000 0.930 197 K CB -0.674 31.768 32.500 -0.096 0.000 0.716 197 K HN 0.350 8.600 8.250 -0.000 0.000 0.444 198 L N 1.224 122.512 121.223 0.109 0.000 2.046 198 L HA -0.179 4.159 4.340 -0.002 0.000 0.208 198 L C 2.105 179.038 176.870 0.105 0.000 1.077 198 L CA 1.442 56.350 54.840 0.113 0.000 0.747 198 L CB -0.351 41.757 42.059 0.081 0.000 0.896 198 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 199 K N -1.286 119.159 120.400 0.076 0.000 2.487 199 K HA 0.040 4.359 4.320 -0.002 0.000 0.192 199 K C 0.782 177.432 176.600 0.083 0.000 1.027 199 K CA 0.312 56.636 56.287 0.061 0.000 1.054 199 K CB -0.044 32.470 32.500 0.023 0.000 0.824 199 K HN 0.175 8.425 8.250 -0.000 0.000 0.510 200 N N 0.905 119.684 118.700 0.132 0.000 2.230 200 N HA 0.052 4.791 4.740 -0.002 0.000 0.202 200 N C 0.618 176.159 175.510 0.052 0.000 1.119 200 N CA 0.720 53.841 53.050 0.117 0.000 0.851 200 N CB 1.180 39.794 38.487 0.211 0.000 0.990 200 N HN 0.492 8.872 8.380 -0.000 0.000 0.497 201 G N 0.562 109.428 108.800 0.109 0.000 2.143 201 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.248 201 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.248 201 G C 0.730 175.716 174.900 0.144 0.000 0.991 201 G CA 0.218 45.399 45.100 0.135 0.000 0.689 201 G HN 0.499 8.789 8.290 -0.000 0.000 0.522 202 H N -1.056 118.094 119.070 0.134 0.000 2.518 202 H HA 0.162 4.717 4.556 -0.002 0.000 0.289 202 H C 0.770 176.259 175.328 0.267 0.000 1.051 202 H CA 1.664 57.806 56.048 0.156 0.000 1.280 202 H CB 0.412 30.257 29.762 0.139 0.000 1.380 202 H HN 0.334 8.614 8.280 -0.000 0.000 0.566 203 V N 2.108 122.212 119.914 0.316 0.000 2.623 203 V HA 0.239 4.357 4.120 -0.002 0.000 0.304 203 V C -0.400 175.731 176.094 0.062 0.000 1.054 203 V CA -0.581 61.849 62.300 0.218 0.000 0.882 203 V CB 2.555 34.470 31.823 0.152 0.000 1.002 203 V HN 0.117 8.307 8.190 -0.000 0.000 0.424 204 M N 5.878 125.411 119.600 -0.112 0.000 2.124 204 M HA 0.542 5.020 4.480 -0.002 0.000 0.280 204 M C -1.030 175.033 176.300 -0.396 0.000 0.954 204 M CA -0.126 54.923 55.300 -0.419 0.000 0.958 204 M CB 1.902 33.855 32.600 -1.080 0.000 1.611 204 M HN 0.437 8.727 8.290 -0.000 0.000 0.449 205 I N 4.077 124.528 120.570 -0.198 0.000 2.331 205 I HA 0.263 4.431 4.170 -0.002 0.000 0.292 205 I C 0.348 176.412 176.117 -0.087 0.000 0.998 205 I CA -0.402 60.839 61.300 -0.100 0.000 1.267 205 I CB 1.358 39.339 38.000 -0.031 0.000 1.386 205 I HN 0.635 8.845 8.210 -0.000 0.000 0.476 206 Q N 5.171 124.956 119.800 -0.024 0.000 2.348 206 Q HA 0.799 5.138 4.340 -0.002 0.000 0.271 206 Q C -1.048 174.936 176.000 -0.025 0.000 1.067 206 Q CA -0.774 55.035 55.803 0.011 0.000 0.839 206 Q CB 2.729 31.568 28.738 0.168 0.000 1.354 206 Q HN 0.520 8.790 8.270 -0.000 0.000 0.447 207 S N 0.262 115.906 115.700 -0.094 0.000 2.597 207 S HA 0.400 4.869 4.470 -0.002 0.000 0.274 207 S C -1.168 173.335 174.600 -0.161 0.000 1.132 207 S CA -0.577 57.569 58.200 -0.090 0.000 0.835 207 S CB 0.764 63.969 63.200 0.009 0.000 1.092 207 S HN 0.634 8.944 8.310 -0.000 0.000 0.457 208 F N 1.807 121.761 119.950 0.007 0.000 2.664 208 F HA 0.318 4.843 4.527 -0.003 0.000 0.296 208 F C 1.756 177.574 175.800 0.030 0.000 1.125 208 F CA 0.461 58.471 58.000 0.017 0.000 1.444 208 F CB 0.346 39.346 39.000 -0.000 0.000 1.114 208 F HN 0.471 8.771 8.300 -0.000 0.000 0.576 209 S N 0.724 116.532 115.700 0.181 0.000 2.400 209 S HA 0.050 4.519 4.470 -0.002 0.000 0.295 209 S C 1.080 175.710 174.600 0.049 0.000 1.113 209 S CA -0.631 57.630 58.200 0.101 0.000 1.064 209 S CB 0.035 63.278 63.200 0.071 0.000 0.990 209 S HN 0.205 8.515 8.310 -0.000 0.000 0.502 210 D N 3.640 124.065 120.400 0.041 0.000 2.178 210 D HA -0.135 4.503 4.640 -0.002 0.000 0.201 210 D C 1.461 177.671 176.300 -0.150 0.000 0.980 210 D CA 1.061 55.045 54.000 -0.025 0.000 0.842 210 D CB 0.192 40.996 40.800 0.006 0.000 0.948 210 D HN 0.629 8.999 8.370 -0.000 0.000 0.472 211 E N 0.852 121.004 120.200 -0.081 0.000 2.051 211 E HA -0.137 4.212 4.350 -0.002 0.000 0.192 211 E C 2.036 178.586 176.600 -0.084 0.000 0.991 211 E CA 0.825 57.171 56.400 -0.089 0.000 0.799 211 E CB -0.348 29.326 29.700 -0.044 0.000 0.748 211 E HN -0.005 8.355 8.360 -0.000 0.000 0.449 212 S N -0.816 114.857 115.700 -0.044 0.000 2.356 212 S HA -0.094 4.374 4.470 -0.002 0.000 0.223 212 S C 1.926 176.501 174.600 -0.042 0.000 1.032 212 S CA 1.171 59.356 58.200 -0.025 0.000 1.005 212 S CB -0.295 62.911 63.200 0.009 0.000 0.867 212 S HN 0.282 8.592 8.310 -0.000 0.000 0.449 213 L N 0.959 122.147 121.223 -0.059 0.000 2.017 213 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 213 L C 2.745 179.536 176.870 -0.132 0.000 1.073 213 L CA 1.357 56.167 54.840 -0.050 0.000 0.745 213 L CB -0.522 41.555 42.059 0.030 0.000 0.894 213 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 214 K N 0.306 120.509 120.400 -0.328 0.000 2.097 214 K HA -0.232 4.086 4.320 -0.002 0.000 0.206 214 K C 2.136 178.672 176.600 -0.106 0.000 1.049 214 K CA 1.251 57.345 56.287 -0.322 0.000 0.933 214 K CB -0.140 32.109 32.500 -0.419 0.000 0.717 214 K HN 0.244 8.494 8.250 -0.000 0.000 0.442 215 K N 1.443 121.790 120.400 -0.088 0.000 2.026 215 K HA -0.124 4.194 4.320 -0.002 0.000 0.208 215 K C 2.073 178.657 176.600 -0.027 0.000 1.048 215 K CA 1.170 57.427 56.287 -0.050 0.000 0.929 215 K CB -0.064 32.412 32.500 -0.041 0.000 0.713 215 K HN 0.041 8.291 8.250 -0.000 0.000 0.439 216 I N 0.270 120.835 120.570 -0.010 0.000 2.226 216 I HA -0.254 3.914 4.170 -0.002 0.000 0.245 216 I C 2.461 178.597 176.117 0.032 0.000 1.100 216 I CA 1.375 62.681 61.300 0.009 0.000 1.374 216 I CB -0.436 37.578 38.000 0.024 0.000 1.057 216 I HN 0.341 8.551 8.210 -0.000 0.000 0.413 217 H N 1.319 120.363 119.070 -0.043 0.000 2.387 217 H HA -0.109 4.446 4.556 -0.002 0.000 0.299 217 H C 2.370 177.670 175.328 -0.048 0.000 1.090 217 H CA 1.752 57.783 56.048 -0.027 0.000 1.332 217 H CB 0.048 29.812 29.762 0.005 0.000 1.386 217 H HN 0.100 8.380 8.280 -0.000 0.000 0.516 218 R N -0.332 120.121 120.500 -0.078 0.000 2.066 218 R HA -0.138 4.200 4.340 -0.002 0.000 0.232 218 R C 2.482 178.699 176.300 -0.138 0.000 1.131 218 R CA 1.586 57.610 56.100 -0.127 0.000 0.955 218 R CB -0.190 30.070 30.300 -0.065 0.000 0.851 218 R HN 0.471 8.741 8.270 -0.000 0.000 0.432 219 Q N 0.116 119.859 119.800 -0.095 0.000 2.167 219 Q HA -0.108 4.230 4.340 -0.002 0.000 0.202 219 Q C -0.198 175.739 176.000 -0.105 0.000 0.970 219 Q CA 0.988 56.741 55.803 -0.083 0.000 0.855 219 Q CB 0.346 29.052 28.738 -0.053 0.000 0.911 219 Q HN 0.040 8.310 8.270 -0.000 0.000 0.438 220 N N -0.393 118.228 118.700 -0.130 0.000 2.747 220 N HA 0.022 4.761 4.740 -0.002 0.000 0.262 220 N C -0.565 174.823 175.510 -0.203 0.000 1.261 220 N CA -0.093 52.868 53.050 -0.149 0.000 0.809 220 N CB 0.914 39.367 38.487 -0.057 0.000 1.450 220 N HN 0.225 8.605 8.380 -0.000 0.000 0.560 221 K N 1.060 121.223 120.400 -0.395 0.000 2.442 221 K HA -0.064 4.254 4.320 -0.002 0.000 0.198 221 K C 0.364 176.888 176.600 -0.127 0.000 1.044 221 K CA 1.135 57.141 56.287 -0.468 0.000 0.948 221 K CB -0.106 32.066 32.500 -0.547 0.000 0.762 221 K HN 0.544 8.794 8.250 -0.000 0.000 0.472 222 H N 0.207 119.273 119.070 -0.008 0.000 2.548 222 H HA 0.141 4.696 4.556 -0.002 0.000 0.265 222 H C -0.227 175.128 175.328 0.045 0.000 0.969 222 H CA -0.583 55.481 56.048 0.027 0.000 1.155 222 H CB 0.626 30.396 29.762 0.013 0.000 1.394 222 H HN -0.088 8.192 8.280 -0.000 0.000 0.570 223 V N 3.372 123.377 119.914 0.151 0.000 2.432 223 V HA 0.106 4.225 4.120 -0.002 0.000 0.271 223 V C -2.027 174.126 176.094 0.098 0.000 1.046 223 V CA -1.908 60.456 62.300 0.108 0.000 0.945 223 V CB 1.118 32.984 31.823 0.072 0.000 0.992 223 V HN 0.065 8.255 8.190 -0.000 0.000 0.471 224 P HA 0.214 4.634 4.420 -0.000 0.000 0.267 224 P C -0.753 176.538 177.300 -0.014 0.000 1.209 224 P CA 0.251 63.362 63.100 0.019 0.000 0.763 224 P CB 0.387 32.084 31.700 -0.005 0.000 0.816 225 L N 3.190 124.410 121.223 -0.005 0.000 2.342 225 L HA 0.627 4.965 4.340 -0.002 0.000 0.271 225 L C -0.433 176.423 176.870 -0.023 0.000 1.008 225 L CA -1.118 53.721 54.840 -0.002 0.000 0.818 225 L CB 2.143 44.245 42.059 0.071 0.000 1.296 225 L HN 0.029 8.259 8.230 -0.000 0.000 0.427 226 V N 1.811 121.710 119.914 -0.026 0.000 2.483 226 V HA 0.319 4.438 4.120 -0.002 0.000 0.297 226 V C -0.301 175.788 176.094 -0.008 0.000 1.027 226 V CA -0.830 61.464 62.300 -0.010 0.000 0.855 226 V CB 1.875 33.721 31.823 0.039 0.000 0.995 226 V HN 0.611 8.801 8.190 -0.000 0.000 0.424 227 K N 5.513 125.896 120.400 -0.028 0.000 2.285 227 K HA 0.481 4.800 4.320 -0.002 0.000 0.286 227 K C -0.862 175.672 176.600 -0.110 0.000 1.072 227 K CA 0.001 56.264 56.287 -0.040 0.000 0.913 227 K CB 0.450 32.931 32.500 -0.032 0.000 1.067 227 K HN 0.637 8.887 8.250 -0.000 0.000 0.479 228 L N 5.259 126.322 121.223 -0.267 0.000 2.281 228 L HA 0.319 4.658 4.340 -0.002 0.000 0.285 228 L C -0.398 176.378 176.870 -0.157 0.000 1.074 228 L CA -1.053 53.461 54.840 -0.542 0.000 0.817 228 L CB 1.197 42.271 42.059 -1.641 0.000 1.168 228 L HN 0.381 8.611 8.230 -0.000 0.000 0.434 229 V N 2.597 122.599 119.914 0.147 0.000 2.539 229 V HA 0.237 4.355 4.120 -0.002 0.000 0.292 229 V C 0.251 176.672 176.094 0.545 0.000 1.045 229 V CA -0.640 61.876 62.300 0.359 0.000 0.945 229 V CB 1.910 33.872 31.823 0.232 0.000 0.993 229 V HN 0.663 8.853 8.190 -0.000 0.000 0.464 230 D N 1.781 122.442 120.400 0.436 0.000 2.423 230 D HA 0.176 4.814 4.640 -0.002 0.000 0.255 230 D C -0.020 176.372 176.300 0.154 0.000 1.174 230 D CA -0.618 53.573 54.000 0.318 0.000 1.008 230 D CB 1.202 42.065 40.800 0.105 0.000 1.101 230 D HN 0.439 8.809 8.370 -0.000 0.000 0.516 231 K N -0.083 120.370 120.400 0.089 0.000 2.402 231 K HA 0.265 4.584 4.320 -0.002 0.000 0.285 231 K C 0.683 177.256 176.600 -0.045 0.000 1.054 231 K CA 0.912 57.188 56.287 -0.017 0.000 1.001 231 K CB -0.177 32.304 32.500 -0.031 0.000 0.946 231 K HN 0.542 8.792 8.250 -0.000 0.000 0.473 232 G N 3.554 112.306 108.800 -0.080 0.000 2.284 232 G HA2 -0.386 3.572 3.960 -0.002 0.000 0.247 232 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.247 232 G C 0.988 175.817 174.900 -0.118 0.000 1.012 232 G CA 0.511 45.557 45.100 -0.090 0.000 0.618 232 G HN 0.697 8.987 8.290 -0.000 0.000 0.521 233 E N 0.151 120.287 120.200 -0.107 0.000 2.204 233 E HA -0.029 4.319 4.350 -0.002 0.000 0.195 233 E C 2.438 178.736 176.600 -0.503 0.000 0.990 233 E CA 1.344 57.641 56.400 -0.171 0.000 0.821 233 E CB -0.167 29.528 29.700 -0.008 0.000 0.750 233 E HN 0.595 8.955 8.360 -0.000 0.000 0.477 234 L N 1.230 122.200 121.223 -0.421 0.000 2.013 234 L HA -0.259 4.080 4.340 -0.002 0.000 0.212 234 L C 2.030 178.553 176.870 -0.578 0.000 1.073 234 L CA 1.978 56.478 54.840 -0.567 0.000 0.753 234 L CB -0.679 41.231 42.059 -0.249 0.000 0.890 234 L HN 0.117 8.347 8.230 -0.000 0.000 0.432 235 Q N -0.308 119.298 119.800 -0.323 0.000 2.020 235 Q HA -0.228 4.110 4.340 -0.002 0.000 0.202 235 Q C 2.200 178.077 176.000 -0.205 0.000 0.982 235 Q CA 2.031 57.714 55.803 -0.199 0.000 0.838 235 Q CB -0.630 28.035 28.738 -0.121 0.000 0.899 235 Q HN 0.611 8.881 8.270 -0.000 0.000 0.423 236 Q N -0.192 119.475 119.800 -0.222 0.000 2.268 236 Q HA -0.181 4.158 4.340 -0.002 0.000 0.213 236 Q C -0.209 175.799 176.000 0.013 0.000 0.995 236 Q CA 1.233 56.972 55.803 -0.107 0.000 0.901 236 Q CB -0.536 28.158 28.738 -0.073 0.000 0.921 236 Q HN 0.476 8.746 8.270 -0.000 0.000 0.421 237 F N 0.723 120.695 119.950 0.037 0.000 2.458 237 F HA 0.387 4.913 4.527 -0.002 0.000 0.336 237 F C 0.225 176.060 175.800 0.058 0.000 1.114 237 F CA -1.972 56.055 58.000 0.045 0.000 0.987 237 F CB 0.581 39.610 39.000 0.047 0.000 1.130 237 F HN -0.107 8.193 8.300 -0.000 0.000 0.458 238 N N 1.012 119.886 118.700 0.290 0.000 2.240 238 N HA -0.001 4.738 4.740 -0.002 0.000 0.250 238 N C 0.197 175.842 175.510 0.226 0.000 1.316 238 N CA 0.143 53.319 53.050 0.209 0.000 0.894 238 N CB 0.246 38.818 38.487 0.141 0.000 1.101 238 N HN 0.616 8.996 8.380 -0.000 0.000 0.491 239 D N -1.783 118.730 120.400 0.188 0.000 2.149 239 D HA -0.156 4.483 4.640 -0.002 0.000 0.201 239 D C 1.656 178.022 176.300 0.109 0.000 0.972 239 D CA 0.974 55.081 54.000 0.178 0.000 0.835 239 D CB -0.407 40.502 40.800 0.181 0.000 0.966 239 D HN 0.680 9.050 8.370 -0.000 0.000 0.476 240 Q N 0.421 120.273 119.800 0.087 0.000 2.084 240 Q HA -0.219 4.119 4.340 -0.002 0.000 0.202 240 Q C 2.156 178.175 176.000 0.032 0.000 0.978 240 Q CA 1.289 57.123 55.803 0.051 0.000 0.844 240 Q CB 0.128 28.894 28.738 0.047 0.000 0.898 240 Q HN 0.008 8.278 8.270 -0.000 0.000 0.426 241 R N 0.350 120.874 120.500 0.041 0.000 2.070 241 R HA -0.124 4.215 4.340 -0.002 0.000 0.233 241 R C 2.320 178.579 176.300 -0.069 0.000 1.137 241 R CA 1.694 57.771 56.100 -0.038 0.000 0.945 241 R CB -0.606 29.666 30.300 -0.047 0.000 0.845 241 R HN 0.342 8.612 8.270 -0.000 0.000 0.430 242 L N 0.575 121.823 121.223 0.042 0.000 2.042 242 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 242 L C 2.412 179.308 176.870 0.043 0.000 1.076 242 L CA 1.320 56.239 54.840 0.132 0.000 0.749 242 L CB -0.616 41.594 42.059 0.252 0.000 0.893 242 L HN 0.142 8.372 8.230 -0.000 0.000 0.432 243 K N 0.691 121.087 120.400 -0.006 0.000 2.074 243 K HA -0.215 4.104 4.320 -0.002 0.000 0.209 243 K C 1.932 178.472 176.600 -0.100 0.000 1.048 243 K CA 1.970 58.217 56.287 -0.068 0.000 0.926 243 K CB -0.400 32.084 32.500 -0.027 0.000 0.713 243 K HN 0.640 8.890 8.250 -0.000 0.000 0.444 244 E N 0.479 120.638 120.200 -0.069 0.000 2.076 244 E HA -0.081 4.268 4.350 -0.002 0.000 0.190 244 E C 2.207 178.691 176.600 -0.194 0.000 0.979 244 E CA 0.648 57.012 56.400 -0.059 0.000 0.807 244 E CB -0.451 29.257 29.700 0.012 0.000 0.761 244 E HN 0.194 8.554 8.360 -0.000 0.000 0.454 245 I N 1.252 121.667 120.570 -0.258 0.000 2.208 245 I HA -0.243 3.925 4.170 -0.002 0.000 0.245 245 I C 2.794 178.493 176.117 -0.697 0.000 1.097 245 I CA 1.349 62.292 61.300 -0.595 0.000 1.363 245 I CB -0.260 37.600 38.000 -0.233 0.000 1.051 245 I HN 0.070 8.280 8.210 -0.000 0.000 0.413 246 R N 1.403 121.698 120.500 -0.342 0.000 2.293 246 R HA -0.117 4.222 4.340 -0.002 0.000 0.219 246 R C 2.217 178.270 176.300 -0.411 0.000 1.091 246 R CA 1.504 57.310 56.100 -0.490 0.000 1.004 246 R CB -0.504 29.370 30.300 -0.710 0.000 0.865 246 R HN 0.491 8.761 8.270 -0.000 0.000 0.469 247 S N -1.062 114.422 115.700 -0.360 0.000 2.489 247 S HA -0.098 4.371 4.470 -0.002 0.000 0.228 247 S C 1.360 175.824 174.600 -0.227 0.000 0.995 247 S CA 0.664 58.745 58.200 -0.198 0.000 0.934 247 S CB -0.380 62.789 63.200 -0.050 0.000 0.771 247 S HN 0.623 8.933 8.310 -0.000 0.000 0.522 248 Y N -0.294 119.809 120.300 -0.328 0.000 2.423 248 Y HA 0.779 5.327 4.550 -0.002 0.000 0.257 248 Y C 0.439 176.084 175.900 -0.425 0.000 1.087 248 Y CA -0.855 56.838 58.100 -0.679 0.000 1.258 248 Y CB -0.015 38.133 38.460 -0.519 0.000 1.237 248 Y HN 0.345 8.625 8.280 -0.000 0.000 0.517 249 A N 1.265 123.844 122.820 -0.402 0.000 2.330 249 A HA 0.568 4.887 4.320 -0.002 0.000 0.313 249 A C 0.203 177.724 177.584 -0.105 0.000 1.124 249 A CA -0.550 51.391 52.037 -0.160 0.000 0.774 249 A CB 0.735 19.669 19.000 -0.111 0.000 1.198 249 A HN 0.377 8.527 8.150 -0.000 0.000 0.465 250 I N 2.368 122.890 120.570 -0.080 0.000 2.617 250 I HA 0.192 4.361 4.170 -0.002 0.000 0.256 250 I C 0.985 177.120 176.117 0.031 0.000 1.167 250 I CA 1.205 62.443 61.300 -0.104 0.000 1.469 250 I CB -0.121 37.799 38.000 -0.134 0.000 1.098 250 I HN 0.574 8.784 8.210 -0.000 0.000 0.436 251 G N 0.164 108.991 108.800 0.045 0.000 2.511 251 G HA2 0.583 4.542 3.960 -0.002 0.000 0.318 251 G HA3 0.583 4.542 3.960 -0.002 0.000 0.318 251 G C -1.973 172.904 174.900 -0.039 0.000 1.210 251 G CA -0.484 44.627 45.100 0.019 0.000 0.969 251 G HN 0.084 8.374 8.290 -0.000 0.000 0.484 252 L N 0.752 121.856 121.223 -0.198 0.000 2.409 252 L HA 0.770 5.109 4.340 -0.002 0.000 0.272 252 L C 0.146 176.950 176.870 -0.110 0.000 0.980 252 L CA -0.498 54.146 54.840 -0.327 0.000 0.826 252 L CB 2.099 43.643 42.059 -0.859 0.000 1.268 252 L HN 0.672 8.902 8.230 -0.000 0.000 0.407 253 G N 5.606 114.408 108.800 0.003 0.000 3.205 253 G HA2 0.566 4.525 3.960 -0.002 0.000 0.343 253 G HA3 0.566 4.525 3.960 -0.002 0.000 0.343 253 G C -2.964 172.075 174.900 0.232 0.000 1.305 253 G CA -0.974 44.231 45.100 0.175 0.000 1.120 253 G HN 0.418 8.708 8.290 -0.000 0.000 0.472 254 P HA 0.222 4.642 4.420 -0.000 0.000 0.281 254 P C -0.688 176.540 177.300 -0.120 0.000 1.264 254 P CA -0.589 62.594 63.100 0.138 0.000 0.824 254 P CB 1.931 33.641 31.700 0.016 0.000 1.092 255 D N 0.898 121.058 120.400 -0.400 0.000 2.450 255 D HA -0.098 4.541 4.640 -0.002 0.000 0.247 255 D C 1.102 177.130 176.300 -0.452 0.000 1.162 255 D CA 0.028 53.462 54.000 -0.945 0.000 0.879 255 D CB 0.352 40.820 40.800 -0.553 0.000 1.163 255 D HN 0.390 8.760 8.370 -0.000 0.000 0.472 256 Y N 2.012 122.065 120.300 -0.412 0.000 2.315 256 Y HA -0.238 4.310 4.550 -0.002 0.000 0.288 256 Y C 2.105 177.948 175.900 -0.094 0.000 1.154 256 Y CA 1.807 59.804 58.100 -0.171 0.000 1.229 256 Y CB -1.088 37.291 38.460 -0.135 0.000 0.980 256 Y HN 0.370 8.650 8.280 -0.000 0.000 0.540 257 T N -3.073 110.987 114.554 -0.823 0.000 3.007 257 T HA -0.138 4.211 4.350 -0.002 0.000 0.270 257 T C 1.126 175.694 174.700 -0.220 0.000 1.107 257 T CA 1.247 63.009 62.100 -0.564 0.000 1.118 257 T CB -0.450 68.058 68.868 -0.600 0.000 0.889 257 T HN 0.442 8.682 8.240 -0.000 0.000 0.506 258 D N 0.745 121.036 120.400 -0.183 0.000 2.349 258 D HA 0.228 4.867 4.640 -0.002 0.000 0.215 258 D C 0.598 176.881 176.300 -0.029 0.000 1.016 258 D CA 0.094 54.032 54.000 -0.103 0.000 0.870 258 D CB 0.089 40.817 40.800 -0.120 0.000 0.917 258 D HN 0.440 8.810 8.370 -0.000 0.000 0.524 259 L N 0.870 122.116 121.223 0.039 0.000 2.395 259 L HA 0.277 4.615 4.340 -0.002 0.000 0.269 259 L C 0.701 177.687 176.870 0.194 0.000 1.133 259 L CA -0.012 54.910 54.840 0.137 0.000 0.812 259 L CB 1.310 43.519 42.059 0.250 0.000 1.125 259 L HN -0.044 8.186 8.230 -0.000 0.000 0.452 260 T N -2.735 111.820 114.554 0.002 0.000 2.894 260 T HA 0.166 4.514 4.350 -0.002 0.000 0.309 260 T C 0.446 174.701 174.700 -0.742 0.000 1.208 260 T CA -0.807 61.093 62.100 -0.333 0.000 1.016 260 T CB 1.767 70.538 68.868 -0.163 0.000 1.192 260 T HN 0.706 8.946 8.240 -0.000 0.000 0.491 261 E N 0.682 120.099 120.200 -1.305 0.000 2.147 261 E HA -0.349 3.999 4.350 -0.002 0.000 0.199 261 E C 1.755 178.262 176.600 -0.156 0.000 1.005 261 E CA 2.498 58.459 56.400 -0.730 0.000 0.810 261 E CB -0.075 29.364 29.700 -0.436 0.000 0.736 261 E HN 0.757 9.117 8.360 -0.000 0.000 0.460 262 Q N 0.870 120.562 119.800 -0.179 0.000 1.990 262 Q HA -0.203 4.136 4.340 -0.002 0.000 0.200 262 Q C 1.830 177.874 176.000 0.074 0.000 0.980 262 Q CA 1.884 57.651 55.803 -0.060 0.000 0.832 262 Q CB -0.853 27.836 28.738 -0.081 0.000 0.897 262 Q HN 0.346 8.616 8.270 -0.000 0.000 0.427 263 N N 0.444 119.168 118.700 0.040 0.000 2.149 263 N HA -0.157 4.581 4.740 -0.002 0.000 0.188 263 N C 1.454 177.044 175.510 0.133 0.000 1.019 263 N CA 2.030 55.148 53.050 0.114 0.000 0.857 263 N CB -1.143 37.379 38.487 0.058 0.000 0.997 263 N HN 0.310 8.690 8.380 -0.000 0.000 0.426 264 T N -0.037 114.577 114.554 0.099 0.000 2.684 264 T HA -0.143 4.205 4.350 -0.002 0.000 0.267 264 T C 1.369 176.088 174.700 0.033 0.000 1.036 264 T CA 1.785 63.935 62.100 0.084 0.000 1.148 264 T CB -0.514 68.451 68.868 0.162 0.000 0.863 264 T HN 0.389 8.629 8.240 -0.000 0.000 0.436 265 H N -0.282 118.820 119.070 0.052 0.000 2.321 265 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 265 H C 2.232 177.644 175.328 0.141 0.000 1.087 265 H CA 1.776 57.914 56.048 0.151 0.000 1.319 265 H CB -0.454 29.487 29.762 0.299 0.000 1.379 265 H HN 0.393 8.673 8.280 -0.000 0.000 0.501 266 H N 0.503 119.682 119.070 0.181 0.000 2.290 266 H HA -0.113 4.443 4.556 0.001 0.000 0.298 266 H C 2.158 177.536 175.328 0.084 0.000 1.087 266 H CA 1.835 57.961 56.048 0.130 0.000 1.291 266 H CB -0.591 29.232 29.762 0.102 0.000 1.369 266 H HN 0.257 8.537 8.280 -0.000 0.000 0.492 267 L N -0.061 121.131 121.223 -0.051 0.000 2.012 267 L HA -0.203 4.135 4.340 -0.002 0.000 0.210 267 L C 2.629 179.445 176.870 -0.091 0.000 1.073 267 L CA 1.489 56.306 54.840 -0.038 0.000 0.748 267 L CB -0.442 41.604 42.059 -0.022 0.000 0.891 267 L HN 0.192 8.422 8.230 -0.000 0.000 0.431 268 K N -0.001 120.182 120.400 -0.362 0.000 2.103 268 K HA -0.181 4.138 4.320 -0.002 0.000 0.207 268 K C 1.692 177.889 176.600 -0.672 0.000 1.048 268 K CA 1.317 57.092 56.287 -0.854 0.000 0.930 268 K CB -0.558 30.684 32.500 -2.096 0.000 0.716 268 K HN 0.383 8.633 8.250 -0.000 0.000 0.444 269 D N 0.692 120.971 120.400 -0.202 0.000 2.144 269 D HA -0.097 4.542 4.640 -0.002 0.000 0.200 269 D C 1.720 178.036 176.300 0.027 0.000 0.978 269 D CA 0.681 54.780 54.000 0.165 0.000 0.833 269 D CB 0.022 41.001 40.800 0.297 0.000 0.961 269 D HN 0.164 8.534 8.370 -0.000 0.000 0.470 270 L N -0.094 121.071 121.223 -0.097 0.000 2.675 270 L HA 0.075 4.414 4.340 -0.002 0.000 0.238 270 L C 1.502 178.210 176.870 -0.270 0.000 1.155 270 L CA 0.425 55.159 54.840 -0.177 0.000 0.881 270 L CB -0.292 41.629 42.059 -0.230 0.000 1.008 270 L HN 0.127 8.357 8.230 -0.000 0.000 0.443 271 G N -1.072 107.645 108.800 -0.137 0.000 2.176 271 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.253 271 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.253 271 G C 0.167 175.050 174.900 -0.029 0.000 0.979 271 G CA -0.457 44.655 45.100 0.020 0.000 0.641 271 G HN 0.143 8.433 8.290 -0.000 0.000 0.530 272 F N 0.355 120.256 119.950 -0.082 0.000 2.406 272 F HA 0.652 5.177 4.527 -0.003 0.000 0.327 272 F C 1.262 176.974 175.800 -0.147 0.000 1.153 272 F CA -0.615 57.303 58.000 -0.137 0.000 1.218 272 F CB 0.630 39.533 39.000 -0.161 0.000 1.215 272 F HN -0.037 8.263 8.300 -0.000 0.000 0.570 273 I N 2.159 122.793 120.570 0.106 0.000 2.378 273 I HA 0.334 4.503 4.170 -0.002 0.000 0.291 273 I C -1.137 174.889 176.117 -0.152 0.000 0.992 273 I CA -0.796 60.469 61.300 -0.057 0.000 1.154 273 I CB 1.629 39.550 38.000 -0.132 0.000 1.315 273 I HN 0.067 8.277 8.210 -0.000 0.000 0.448 274 V N 5.945 125.794 119.914 -0.108 0.000 2.417 274 V HA 0.346 4.465 4.120 -0.002 0.000 0.291 274 V C -0.533 175.655 176.094 0.156 0.000 1.024 274 V CA -0.544 61.729 62.300 -0.045 0.000 0.861 274 V CB 1.249 33.072 31.823 -0.001 0.000 0.985 274 V HN 0.666 8.856 8.190 -0.000 0.000 0.436 275 H N 5.207 124.348 119.070 0.118 0.000 2.569 275 H HA 0.289 4.844 4.556 -0.002 0.000 0.247 275 H C -2.589 172.919 175.328 0.300 0.000 1.346 275 H CA -1.885 54.243 56.048 0.133 0.000 1.502 275 H CB 1.738 31.519 29.762 0.033 0.000 1.512 275 H HN 0.491 8.771 8.280 -0.000 0.000 0.502 276 P HA -0.092 4.328 4.420 -0.000 0.000 0.269 276 P C -0.816 176.697 177.300 0.354 0.000 1.215 276 P CA 0.063 63.316 63.100 0.256 0.000 0.780 276 P CB 0.888 32.693 31.700 0.176 0.000 0.898 277 Y N -2.323 118.058 120.300 0.134 0.000 2.409 277 Y HA 0.526 5.075 4.550 -0.002 0.000 0.339 277 Y C 0.179 176.084 175.900 0.009 0.000 1.033 277 Y CA -1.093 56.994 58.100 -0.021 0.000 1.094 277 Y CB 0.084 38.250 38.460 -0.490 0.000 1.210 277 Y HN 0.477 8.757 8.280 -0.000 0.000 0.456 278 T N 1.588 116.157 114.554 0.026 0.000 3.318 278 T HA -0.101 4.248 4.350 -0.002 0.000 0.428 278 T C -0.654 173.979 174.700 -0.113 0.000 0.768 278 T CA 0.472 62.508 62.100 -0.108 0.000 2.218 278 T CB -2.407 66.372 68.868 -0.148 0.000 1.689 278 T HN 0.710 8.950 8.240 -0.000 0.000 0.671 279 V N 3.073 122.824 119.914 -0.272 0.000 2.333 279 V HA 0.377 4.495 4.120 -0.002 0.000 0.274 279 V C 0.907 176.867 176.094 -0.223 0.000 1.028 279 V CA -0.703 61.292 62.300 -0.508 0.000 0.851 279 V CB 1.542 33.037 31.823 -0.547 0.000 1.000 279 V HN 0.659 8.849 8.190 -0.000 0.000 0.456 280 N N 2.164 120.798 118.700 -0.111 0.000 2.171 280 N HA 0.112 4.851 4.740 -0.002 0.000 0.212 280 N C 0.102 175.627 175.510 0.025 0.000 1.184 280 N CA -0.092 53.025 53.050 0.111 0.000 0.888 280 N CB 1.046 39.730 38.487 0.329 0.000 1.038 280 N HN 0.560 8.940 8.380 -0.000 0.000 0.517 281 E N 1.038 121.196 120.200 -0.069 0.000 2.134 281 E HA 0.218 4.566 4.350 -0.002 0.000 0.278 281 E C 0.810 177.370 176.600 -0.066 0.000 0.959 281 E CA -0.288 56.072 56.400 -0.067 0.000 0.783 281 E CB 1.900 31.569 29.700 -0.053 0.000 1.095 281 E HN -0.026 8.334 8.360 -0.000 0.000 0.399 282 K N 1.759 122.130 120.400 -0.049 0.000 2.089 282 K HA -0.246 4.073 4.320 -0.002 0.000 0.210 282 K C 1.710 178.281 176.600 -0.049 0.000 1.048 282 K CA 1.652 57.916 56.287 -0.037 0.000 0.926 282 K CB -0.033 32.444 32.500 -0.040 0.000 0.714 282 K HN 0.494 8.744 8.250 -0.000 0.000 0.448 283 A N 2.183 124.975 122.820 -0.048 0.000 1.873 283 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 283 A C 1.804 179.350 177.584 -0.064 0.000 1.193 283 A CA 2.104 54.115 52.037 -0.044 0.000 0.629 283 A CB -0.528 18.457 19.000 -0.026 0.000 0.826 283 A HN 0.273 8.423 8.150 -0.000 0.000 0.447 284 D N -0.436 119.916 120.400 -0.080 0.000 2.117 284 D HA -0.146 4.493 4.640 -0.002 0.000 0.197 284 D C 2.100 178.310 176.300 -0.150 0.000 0.987 284 D CA 1.575 55.502 54.000 -0.122 0.000 0.829 284 D CB -0.349 40.329 40.800 -0.203 0.000 0.961 284 D HN 0.527 8.897 8.370 -0.000 0.000 0.460 285 M N 0.177 119.711 119.600 -0.110 0.000 2.073 285 M HA -0.189 4.289 4.480 -0.002 0.000 0.258 285 M C 2.378 178.646 176.300 -0.054 0.000 1.070 285 M CA 1.130 56.421 55.300 -0.016 0.000 1.103 285 M CB -0.359 32.313 32.600 0.120 0.000 1.321 285 M HN 0.019 8.309 8.290 -0.000 0.000 0.405 286 L N 0.350 121.519 121.223 -0.090 0.000 2.017 286 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 286 L C 2.590 179.387 176.870 -0.123 0.000 1.073 286 L CA 1.873 56.645 54.840 -0.114 0.000 0.745 286 L CB -0.642 41.365 42.059 -0.086 0.000 0.894 286 L HN 0.185 8.415 8.230 -0.000 0.000 0.432 287 R N -0.542 119.865 120.500 -0.155 0.000 2.097 287 R HA -0.205 4.133 4.340 -0.002 0.000 0.236 287 R C 2.324 178.318 176.300 -0.510 0.000 1.135 287 R CA 2.423 58.360 56.100 -0.272 0.000 0.934 287 R CB -0.588 29.541 30.300 -0.285 0.000 0.846 287 R HN 0.452 8.722 8.270 -0.000 0.000 0.431 288 L N 0.587 121.533 121.223 -0.461 0.000 2.013 288 L HA -0.236 4.103 4.340 -0.002 0.000 0.212 288 L C 2.244 179.092 176.870 -0.037 0.000 1.073 288 L CA 1.977 56.603 54.840 -0.357 0.000 0.753 288 L CB -0.720 41.263 42.059 -0.128 0.000 0.890 288 L HN 0.422 8.652 8.230 -0.000 0.000 0.432 289 N N -0.243 118.457 118.700 0.000 0.000 2.149 289 N HA -0.209 4.530 4.740 -0.002 0.000 0.188 289 N C 1.768 177.432 175.510 0.256 0.000 1.019 289 N CA 1.073 54.200 53.050 0.128 0.000 0.857 289 N CB -0.009 38.297 38.487 -0.301 0.000 0.997 289 N HN 0.367 8.747 8.380 -0.000 0.000 0.426 290 K N 0.092 120.577 120.400 0.141 0.000 2.097 290 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 290 K C 1.515 178.364 176.600 0.415 0.000 1.050 290 K CA 0.916 57.346 56.287 0.237 0.000 0.938 290 K CB -0.133 32.471 32.500 0.172 0.000 0.718 290 K HN 0.241 8.491 8.250 -0.000 0.000 0.442 291 Y N 0.003 120.441 120.300 0.229 0.000 2.207 291 Y HA -0.140 4.410 4.550 0.000 0.000 0.287 291 Y C 1.987 178.036 175.900 0.247 0.000 1.156 291 Y CA 1.357 59.620 58.100 0.271 0.000 1.182 291 Y CB -0.492 38.093 38.460 0.208 0.000 0.979 291 Y HN 0.380 8.660 8.280 -0.000 0.000 0.521 292 G N -1.111 107.926 108.800 0.393 0.000 2.198 292 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.156 292 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.156 292 G C 0.184 175.207 174.900 0.206 0.000 1.012 292 G CA -0.105 45.166 45.100 0.285 0.000 0.692 292 G HN 0.390 8.680 8.290 -0.000 0.000 0.492 293 V N -1.635 118.443 119.914 0.273 0.000 3.524 293 V HA 0.369 4.488 4.120 -0.002 0.000 0.303 293 V C 0.876 177.151 176.094 0.302 0.000 1.130 293 V CA 1.127 63.577 62.300 0.250 0.000 1.225 293 V CB 0.836 32.824 31.823 0.274 0.000 1.056 293 V HN 0.133 8.323 8.190 -0.000 0.000 0.495 294 D N 1.076 121.656 120.400 0.300 0.000 2.398 294 D HA 0.427 5.066 4.640 -0.002 0.000 0.210 294 D C 0.660 177.178 176.300 0.362 0.000 1.094 294 D CA 1.194 55.358 54.000 0.274 0.000 0.839 294 D CB 1.090 42.058 40.800 0.280 0.000 0.963 294 D HN 1.121 9.491 8.370 -0.000 0.000 0.506 295 G N 0.331 109.356 108.800 0.375 0.000 2.343 295 G HA2 0.334 4.293 3.960 -0.002 0.000 0.289 295 G HA3 0.334 4.293 3.960 -0.002 0.000 0.289 295 G C -1.585 173.221 174.900 -0.156 0.000 1.295 295 G CA -0.211 44.974 45.100 0.142 0.000 0.869 295 G HN 0.256 8.546 8.290 -0.000 0.000 0.522 296 V N -3.061 116.541 119.914 -0.519 0.000 3.216 296 V HA 0.870 4.989 4.120 -0.002 0.000 0.302 296 V C -1.045 174.726 176.094 -0.539 0.000 1.286 296 V CA -1.465 60.547 62.300 -0.480 0.000 1.048 296 V CB 1.666 33.128 31.823 -0.602 0.000 1.081 296 V HN 0.991 9.181 8.190 -0.000 0.000 0.442 297 F N 1.287 121.043 119.950 -0.322 0.000 2.394 297 F HA 0.789 5.315 4.527 -0.003 0.000 0.340 297 F C 0.722 176.346 175.800 -0.295 0.000 1.105 297 F CA 0.363 58.190 58.000 -0.288 0.000 1.124 297 F CB 1.823 40.666 39.000 -0.262 0.000 1.145 297 F HN 0.906 9.206 8.300 -0.000 0.000 0.505 298 T N 1.937 116.448 114.554 -0.072 0.000 2.889 298 T HA 0.244 4.592 4.350 -0.002 0.000 0.315 298 T C 0.038 174.665 174.700 -0.121 0.000 1.291 298 T CA -0.845 61.190 62.100 -0.109 0.000 1.028 298 T CB 1.018 69.805 68.868 -0.136 0.000 1.235 298 T HN 0.532 8.772 8.240 -0.000 0.000 0.491 299 N N 1.683 120.217 118.700 -0.276 0.000 2.398 299 N HA 0.169 4.908 4.740 -0.002 0.000 0.188 299 N C -0.785 174.033 175.510 -1.153 0.000 1.122 299 N CA 0.372 53.035 53.050 -0.645 0.000 0.866 299 N CB 0.112 38.141 38.487 -0.764 0.000 0.970 299 N HN 0.489 8.869 8.380 -0.000 0.000 0.462 300 F N -0.099 119.736 119.950 -0.192 0.000 2.660 300 F HA 0.436 4.961 4.527 -0.003 0.000 0.352 300 F C 1.122 176.922 175.800 0.000 0.000 1.257 300 F CA -1.096 56.803 58.000 -0.168 0.000 1.200 300 F CB 0.512 39.430 39.000 -0.135 0.000 1.473 300 F HN -0.163 8.137 8.300 -0.000 0.000 0.561 301 A N 0.836 123.725 122.820 0.116 0.000 1.892 301 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 301 A C 2.093 179.785 177.584 0.179 0.000 1.188 301 A CA 2.616 54.733 52.037 0.132 0.000 0.631 301 A CB -0.591 18.463 19.000 0.091 0.000 0.822 301 A HN 0.644 8.794 8.150 -0.000 0.000 0.447 302 D N 0.064 120.589 120.400 0.208 0.000 2.104 302 D HA -0.217 4.422 4.640 -0.002 0.000 0.194 302 D C 1.664 178.043 176.300 0.132 0.000 0.994 302 D CA 1.845 55.937 54.000 0.153 0.000 0.830 302 D CB -0.647 40.247 40.800 0.157 0.000 0.959 302 D HN 0.548 8.918 8.370 -0.000 0.000 0.452 303 K N -0.907 119.602 120.400 0.182 0.000 2.074 303 K HA -0.211 4.108 4.320 -0.002 0.000 0.209 303 K C 2.235 178.899 176.600 0.107 0.000 1.048 303 K CA 1.400 57.758 56.287 0.118 0.000 0.926 303 K CB -0.439 32.129 32.500 0.114 0.000 0.713 303 K HN 0.183 8.433 8.250 -0.000 0.000 0.444 304 Y N 2.060 122.362 120.300 0.003 0.000 2.220 304 Y HA -0.133 4.416 4.550 -0.003 0.000 0.291 304 Y C 1.783 177.648 175.900 -0.060 0.000 1.129 304 Y CA 1.381 59.450 58.100 -0.051 0.000 1.161 304 Y CB 0.085 38.512 38.460 -0.054 0.000 0.997 304 Y HN -0.096 8.184 8.280 -0.000 0.000 0.522 305 K N 0.021 120.401 120.400 -0.034 0.000 2.147 305 K HA -0.184 4.134 4.320 -0.002 0.000 0.205 305 K C 1.910 178.422 176.600 -0.147 0.000 1.049 305 K CA 1.783 57.999 56.287 -0.117 0.000 0.936 305 K CB -0.111 32.380 32.500 -0.016 0.000 0.722 305 K HN 0.469 8.719 8.250 -0.000 0.000 0.446 306 E N 0.328 120.471 120.200 -0.096 0.000 2.046 306 E HA -0.131 4.217 4.350 -0.002 0.000 0.190 306 E C 1.967 178.481 176.600 -0.143 0.000 0.982 306 E CA 1.021 57.368 56.400 -0.088 0.000 0.800 306 E CB 0.035 29.709 29.700 -0.044 0.000 0.756 306 E HN 0.005 8.365 8.360 -0.000 0.000 0.449 307 V N 1.623 121.422 119.914 -0.190 0.000 2.568 307 V HA -0.252 3.867 4.120 -0.002 0.000 0.253 307 V C 2.111 178.000 176.094 -0.343 0.000 1.072 307 V CA 1.443 63.598 62.300 -0.241 0.000 1.084 307 V CB -0.448 31.225 31.823 -0.250 0.000 0.676 307 V HN 0.282 8.472 8.190 -0.000 0.000 0.469 308 I N -0.375 119.932 120.570 -0.438 0.000 2.333 308 I HA -0.170 3.999 4.170 -0.002 0.000 0.246 308 I C 2.532 178.537 176.117 -0.186 0.000 1.106 308 I CA 1.280 62.337 61.300 -0.405 0.000 1.411 308 I CB -0.456 37.304 38.000 -0.400 0.000 1.082 308 I HN 0.233 8.443 8.210 -0.000 0.000 0.420 309 K N 1.544 121.858 120.400 -0.145 0.000 2.152 309 K HA -0.154 4.165 4.320 -0.002 0.000 0.206 309 K C 0.602 177.163 176.600 -0.065 0.000 1.048 309 K CA 1.242 57.481 56.287 -0.080 0.000 0.933 309 K CB 0.140 32.599 32.500 -0.068 0.000 0.721 309 K HN 0.381 8.631 8.250 -0.000 0.000 0.447 310 E N 0.000 120.149 120.200 -0.085 0.000 2.725 310 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 310 E CA 0.000 56.362 56.400 -0.064 0.000 0.976 310 E CB 0.000 29.661 29.700 -0.066 0.000 0.812 310 E HN 0.000 8.360 8.360 -0.000 0.000 0.440