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 3lby_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKRPIELSH DFLSQVLDKN SIAIDATMGN GNDTVFLSHL AKKVYAFDVQ DATA SEQUENCE EQALIKTREK LEQLNIKNVQ LILDGHQTIN KYVTEPIRAA IFNLGYLPSA DATA SEQUENCE XXSVITQPAT TLTAIKKILE RLEIGGRLAI MVYYXXXGGD KEKDAVLNFV DATA SEQUENCE KELDQQHFTV MLYQPLNQIN TPPFLVMIEK L 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 I N 3.286 123.885 120.570 0.049 0.000 2.683 2 I HA 0.061 4.229 4.170 -0.003 0.000 0.286 2 I C -0.051 176.124 176.117 0.096 0.000 1.175 2 I CA 0.445 61.792 61.300 0.078 0.000 1.429 2 I CB 0.413 38.458 38.000 0.074 0.000 1.371 2 I HN 0.539 8.749 8.210 -0.000 0.000 0.569 3 K N 7.827 128.309 120.400 0.136 0.000 2.249 3 K HA 0.309 4.627 4.320 -0.003 0.000 0.280 3 K C -0.227 176.501 176.600 0.214 0.000 1.033 3 K CA -0.540 55.825 56.287 0.130 0.000 0.946 3 K CB 0.797 33.339 32.500 0.070 0.000 1.005 3 K HN 0.601 8.851 8.250 -0.000 0.000 0.469 4 R N 2.495 123.070 120.500 0.126 0.000 2.641 4 R HA 0.005 4.343 4.340 -0.003 0.000 0.269 4 R C -1.683 174.734 176.300 0.195 0.000 1.074 4 R CA -1.511 54.657 56.100 0.115 0.000 1.133 4 R CB -0.049 30.272 30.300 0.034 0.000 1.029 4 R HN 0.389 8.659 8.270 -0.000 0.000 0.488 5 P HA -0.215 4.205 4.420 -0.000 0.000 0.216 5 P C 1.189 178.541 177.300 0.086 0.000 1.157 5 P CA 1.144 64.390 63.100 0.243 0.000 0.880 5 P CB 0.055 31.826 31.700 0.119 0.000 0.791 6 I N -0.250 120.322 120.570 0.003 0.000 2.264 6 I HA -0.249 3.919 4.170 -0.003 0.000 0.248 6 I C 1.969 177.993 176.117 -0.155 0.000 1.111 6 I CA 1.794 63.047 61.300 -0.077 0.000 1.382 6 I CB -0.543 37.401 38.000 -0.094 0.000 1.060 6 I HN -0.057 8.153 8.210 -0.000 0.000 0.418 7 E N -0.436 119.709 120.200 -0.091 0.000 2.072 7 E HA -0.227 4.121 4.350 -0.003 0.000 0.191 7 E C 2.056 178.646 176.600 -0.018 0.000 0.985 7 E CA 1.189 57.536 56.400 -0.087 0.000 0.801 7 E CB -0.321 29.362 29.700 -0.028 0.000 0.750 7 E HN 0.342 8.702 8.360 -0.000 0.000 0.452 8 L N 1.321 122.543 121.223 -0.002 0.000 2.083 8 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 8 L C 2.333 179.241 176.870 0.063 0.000 1.083 8 L CA 2.087 56.905 54.840 -0.036 0.000 0.752 8 L CB -0.755 41.150 42.059 -0.257 0.000 0.899 8 L HN 0.117 8.347 8.230 -0.000 0.000 0.433 9 S N -1.734 114.014 115.700 0.080 0.000 2.370 9 S HA -0.275 4.193 4.470 -0.003 0.000 0.226 9 S C 2.038 176.829 174.600 0.318 0.000 1.033 9 S CA 1.406 59.723 58.200 0.195 0.000 1.011 9 S CB -0.832 62.468 63.200 0.167 0.000 0.852 9 S HN 0.587 8.897 8.310 -0.000 0.000 0.457 10 H N 1.446 120.518 119.070 0.003 0.000 2.357 10 H HA 0.096 4.651 4.556 -0.003 0.000 0.301 10 H C 2.069 177.489 175.328 0.154 0.000 1.082 10 H CA 1.460 57.460 56.048 -0.081 0.000 1.342 10 H CB -1.001 28.464 29.762 -0.496 0.000 1.389 10 H HN 0.625 8.905 8.280 -0.000 0.000 0.511 11 D N -0.406 120.143 120.400 0.248 0.000 2.104 11 D HA -0.200 4.438 4.640 -0.003 0.000 0.194 11 D C 2.062 178.497 176.300 0.225 0.000 0.994 11 D CA 0.934 55.059 54.000 0.208 0.000 0.830 11 D CB -0.324 40.556 40.800 0.134 0.000 0.959 11 D HN 0.227 8.597 8.370 -0.000 0.000 0.452 12 F N 0.647 120.648 119.950 0.085 0.000 2.126 12 F HA -0.081 4.444 4.527 -0.002 0.000 0.299 12 F C 1.866 177.727 175.800 0.101 0.000 1.096 12 F CA 1.336 59.379 58.000 0.071 0.000 1.255 12 F CB -0.239 38.795 39.000 0.056 0.000 0.997 12 F HN 0.039 8.339 8.300 -0.000 0.000 0.479 13 L N -0.405 120.895 121.223 0.128 0.000 2.131 13 L HA -0.123 4.215 4.340 -0.003 0.000 0.206 13 L C 2.676 179.565 176.870 0.032 0.000 1.087 13 L CA 1.200 56.058 54.840 0.029 0.000 0.767 13 L CB -1.011 41.155 42.059 0.180 0.000 0.917 13 L HN 0.277 8.507 8.230 -0.000 0.000 0.441 14 S N -0.628 115.155 115.700 0.138 0.000 2.419 14 S HA -0.230 4.238 4.470 -0.003 0.000 0.233 14 S C 1.805 176.412 174.600 0.011 0.000 1.016 14 S CA 0.865 59.112 58.200 0.078 0.000 0.974 14 S CB -0.326 62.987 63.200 0.188 0.000 0.786 14 S HN 0.462 8.772 8.310 -0.000 0.000 0.492 15 Q N 0.605 120.404 119.800 -0.001 0.000 2.226 15 Q HA -0.013 4.325 4.340 -0.003 0.000 0.204 15 Q C 2.093 178.058 176.000 -0.058 0.000 0.975 15 Q CA 1.584 57.371 55.803 -0.027 0.000 0.866 15 Q CB -0.266 28.455 28.738 -0.028 0.000 0.915 15 Q HN 0.797 9.067 8.270 -0.000 0.000 0.440 16 V N -3.464 116.396 119.914 -0.090 0.000 3.528 16 V HA 0.261 4.379 4.120 -0.003 0.000 0.294 16 V C 0.580 176.638 176.094 -0.059 0.000 1.404 16 V CA -0.150 62.100 62.300 -0.083 0.000 1.065 16 V CB -0.079 31.673 31.823 -0.117 0.000 0.904 16 V HN 0.037 8.227 8.190 -0.000 0.000 0.435 17 L N 2.871 124.059 121.223 -0.058 0.000 2.375 17 L HA 0.632 4.970 4.340 -0.003 0.000 0.271 17 L C -0.137 176.701 176.870 -0.053 0.000 1.107 17 L CA 0.052 54.858 54.840 -0.057 0.000 0.806 17 L CB 1.242 43.254 42.059 -0.079 0.000 1.146 17 L HN 0.606 8.836 8.230 -0.000 0.000 0.447 18 D N 0.066 120.438 120.400 -0.047 0.000 2.768 18 D HA 0.194 4.832 4.640 -0.003 0.000 0.327 18 D C -0.351 175.926 176.300 -0.040 0.000 1.302 18 D CA -0.730 53.245 54.000 -0.042 0.000 0.897 18 D CB 0.734 41.516 40.800 -0.030 0.000 1.420 18 D HN -0.020 8.350 8.370 -0.000 0.000 0.494 19 K N -0.388 119.992 120.400 -0.034 0.000 2.551 19 K HA 0.146 4.464 4.320 -0.003 0.000 0.192 19 K C 0.165 176.751 176.600 -0.023 0.000 1.027 19 K CA 0.248 56.516 56.287 -0.032 0.000 1.059 19 K CB -0.791 31.691 32.500 -0.029 0.000 0.831 19 K HN 0.422 8.672 8.250 -0.000 0.000 0.508 20 N N -0.388 118.301 118.700 -0.018 0.000 2.299 20 N HA 0.010 4.748 4.740 -0.003 0.000 0.187 20 N C -0.422 175.087 175.510 -0.001 0.000 1.099 20 N CA -0.139 52.906 53.050 -0.008 0.000 0.867 20 N CB 0.560 39.044 38.487 -0.005 0.000 0.974 20 N HN -0.113 8.267 8.380 -0.000 0.000 0.477 21 S N 0.986 116.682 115.700 -0.007 0.000 2.562 21 S HA 0.301 4.769 4.470 -0.003 0.000 0.275 21 S C -0.178 174.433 174.600 0.017 0.000 1.281 21 S CA -0.473 57.729 58.200 0.003 0.000 1.045 21 S CB 1.245 64.439 63.200 -0.010 0.000 0.962 21 S HN 0.043 8.353 8.310 -0.000 0.000 0.503 22 I N 2.488 123.089 120.570 0.051 0.000 2.331 22 I HA 0.521 4.689 4.170 -0.003 0.000 0.292 22 I C 0.450 176.627 176.117 0.100 0.000 0.998 22 I CA -0.609 60.750 61.300 0.097 0.000 1.267 22 I CB 0.559 38.658 38.000 0.165 0.000 1.386 22 I HN 0.690 8.900 8.210 -0.000 0.000 0.476 23 A N 7.589 130.470 122.820 0.102 0.000 2.380 23 A HA 0.863 5.181 4.320 -0.003 0.000 0.315 23 A C -0.809 176.869 177.584 0.157 0.000 1.101 23 A CA -0.526 51.569 52.037 0.096 0.000 0.771 23 A CB 1.582 20.603 19.000 0.035 0.000 1.287 23 A HN 0.462 8.612 8.150 -0.000 0.000 0.436 24 I N 1.800 122.457 120.570 0.145 0.000 2.406 24 I HA 0.314 4.482 4.170 -0.003 0.000 0.290 24 I C -0.914 175.262 176.117 0.098 0.000 0.999 24 I CA -0.499 60.906 61.300 0.174 0.000 1.124 24 I CB 1.588 39.678 38.000 0.149 0.000 1.289 24 I HN 0.652 8.862 8.210 -0.000 0.000 0.441 25 D N 5.153 125.619 120.400 0.110 0.000 2.443 25 D HA 0.459 5.097 4.640 -0.003 0.000 0.221 25 D C 0.738 177.071 176.300 0.056 0.000 1.097 25 D CA -0.323 53.707 54.000 0.051 0.000 0.865 25 D CB 1.692 42.523 40.800 0.053 0.000 1.034 25 D HN 0.629 8.999 8.370 -0.000 0.000 0.511 26 A N 2.996 125.702 122.820 -0.191 0.000 2.167 26 A HA 0.072 4.390 4.320 -0.003 0.000 0.214 26 A C 0.955 178.522 177.584 -0.030 0.000 1.151 26 A CA 0.819 52.659 52.037 -0.328 0.000 0.735 26 A CB -0.083 18.061 19.000 -1.427 0.000 0.802 26 A HN 0.537 8.687 8.150 -0.000 0.000 0.467 27 T N -4.355 110.188 114.554 -0.018 0.000 3.296 27 T HA 0.361 4.709 4.350 -0.003 0.000 0.333 27 T C 0.609 175.333 174.700 0.040 0.000 1.280 27 T CA -0.156 61.981 62.100 0.062 0.000 1.558 27 T CB 0.141 69.064 68.868 0.092 0.000 0.929 27 T HN 0.199 8.439 8.240 -0.000 0.000 0.596 28 M N 2.411 122.035 119.600 0.041 0.000 2.089 28 M HA -0.007 4.471 4.480 -0.003 0.000 0.257 28 M C 1.857 178.164 176.300 0.011 0.000 1.071 28 M CA 2.706 58.018 55.300 0.020 0.000 1.096 28 M CB -1.039 31.561 32.600 0.000 0.000 1.330 28 M HN 0.964 9.254 8.290 -0.000 0.000 0.403 29 G N 0.424 109.227 108.800 0.006 0.000 2.652 29 G HA2 -0.400 3.558 3.960 -0.003 0.000 0.318 29 G HA3 -0.400 3.558 3.960 -0.003 0.000 0.318 29 G C 0.268 175.166 174.900 -0.003 0.000 1.295 29 G CA 0.609 45.707 45.100 -0.004 0.000 0.999 29 G HN 0.591 8.881 8.290 -0.000 0.000 0.548 30 N N 2.695 121.392 118.700 -0.004 0.000 2.521 30 N HA 0.253 4.991 4.740 -0.003 0.000 0.188 30 N C 1.844 177.359 175.510 0.008 0.000 1.146 30 N CA 2.064 55.114 53.050 0.001 0.000 0.893 30 N CB -0.045 38.443 38.487 0.001 0.000 0.975 30 N HN 1.903 10.284 8.380 -0.000 0.000 0.451 31 G N 0.450 109.257 108.800 0.012 0.000 2.176 31 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.253 31 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.253 31 G C 1.102 176.028 174.900 0.043 0.000 0.979 31 G CA 0.271 45.381 45.100 0.017 0.000 0.641 31 G HN 0.294 8.584 8.290 -0.000 0.000 0.530 32 N N 0.918 119.653 118.700 0.059 0.000 2.166 32 N HA -0.047 4.691 4.740 -0.003 0.000 0.186 32 N C 1.560 177.163 175.510 0.156 0.000 1.019 32 N CA 1.549 54.658 53.050 0.099 0.000 0.856 32 N CB -0.243 38.296 38.487 0.087 0.000 0.993 32 N HN 0.479 8.859 8.380 -0.000 0.000 0.426 33 D N -0.210 120.278 120.400 0.147 0.000 2.183 33 D HA -0.035 4.603 4.640 -0.003 0.000 0.203 33 D C 1.643 178.028 176.300 0.142 0.000 0.969 33 D CA 0.869 54.977 54.000 0.180 0.000 0.842 33 D CB -0.396 40.506 40.800 0.169 0.000 0.957 33 D HN 0.210 8.580 8.370 -0.000 0.000 0.484 34 T N 0.656 115.255 114.554 0.075 0.000 2.708 34 T HA -0.095 4.253 4.350 -0.003 0.000 0.266 34 T C 2.265 176.950 174.700 -0.025 0.000 1.037 34 T CA 0.724 62.833 62.100 0.015 0.000 1.146 34 T CB -0.288 68.572 68.868 -0.014 0.000 0.865 34 T HN -0.030 8.210 8.240 -0.000 0.000 0.435 35 V N 1.138 121.051 119.914 -0.002 0.000 2.295 35 V HA -0.123 3.995 4.120 -0.003 0.000 0.246 35 V C 1.989 178.035 176.094 -0.080 0.000 1.049 35 V CA 1.676 63.930 62.300 -0.076 0.000 1.024 35 V CB -0.734 31.106 31.823 0.029 0.000 0.648 35 V HN 0.443 8.633 8.190 -0.000 0.000 0.447 36 F N 0.537 120.474 119.950 -0.021 0.000 2.065 36 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 36 F C 2.065 177.831 175.800 -0.056 0.000 1.112 36 F CA 1.872 59.883 58.000 0.018 0.000 1.212 36 F CB -0.358 38.573 39.000 -0.115 0.000 0.975 36 F HN 0.033 8.333 8.300 -0.000 0.000 0.476 37 L N 0.055 121.224 121.223 -0.090 0.000 2.083 37 L HA -0.226 4.112 4.340 -0.003 0.000 0.209 37 L C 2.778 179.509 176.870 -0.231 0.000 1.083 37 L CA 1.504 56.226 54.840 -0.196 0.000 0.752 37 L CB -1.071 40.966 42.059 -0.038 0.000 0.899 37 L HN 0.372 8.602 8.230 -0.000 0.000 0.433 38 S N -1.481 114.072 115.700 -0.246 0.000 2.419 38 S HA -0.212 4.256 4.470 -0.003 0.000 0.233 38 S C 1.900 176.338 174.600 -0.270 0.000 1.016 38 S CA 0.862 58.901 58.200 -0.267 0.000 0.974 38 S CB -0.570 62.447 63.200 -0.304 0.000 0.786 38 S HN 0.459 8.769 8.310 -0.000 0.000 0.492 39 H N 1.189 120.156 119.070 -0.172 0.000 2.457 39 H HA 0.210 4.763 4.556 -0.005 0.000 0.294 39 H C 1.830 177.043 175.328 -0.191 0.000 1.064 39 H CA 1.398 57.345 56.048 -0.168 0.000 1.330 39 H CB -0.086 29.570 29.762 -0.176 0.000 1.395 39 H HN 0.447 8.727 8.280 -0.000 0.000 0.541 40 L N -0.726 120.403 121.223 -0.156 0.000 2.470 40 L HA 0.310 4.648 4.340 -0.003 0.000 0.219 40 L C 1.228 178.027 176.870 -0.119 0.000 1.071 40 L CA 0.027 54.768 54.840 -0.165 0.000 0.850 40 L CB 0.334 42.226 42.059 -0.277 0.000 1.040 40 L HN 0.025 8.255 8.230 -0.000 0.000 0.475 41 A N 0.006 122.754 122.820 -0.119 0.000 2.281 41 A HA 0.298 4.616 4.320 -0.003 0.000 0.329 41 A C 1.050 178.591 177.584 -0.072 0.000 1.122 41 A CA -0.419 51.568 52.037 -0.084 0.000 0.850 41 A CB 1.138 20.093 19.000 -0.076 0.000 1.207 41 A HN 0.097 8.247 8.150 -0.000 0.000 0.495 42 K N -0.409 119.960 120.400 -0.051 0.000 2.057 42 K HA -0.077 4.241 4.320 -0.003 0.000 0.206 42 K C 0.378 176.934 176.600 -0.072 0.000 1.050 42 K CA 1.902 58.160 56.287 -0.049 0.000 0.935 42 K CB -0.093 32.391 32.500 -0.026 0.000 0.715 42 K HN 0.618 8.868 8.250 -0.000 0.000 0.439 43 K N -0.511 119.841 120.400 -0.080 0.000 2.557 43 K HA 0.293 4.611 4.320 -0.003 0.000 0.261 43 K C -1.962 174.544 176.600 -0.156 0.000 0.932 43 K CA -0.840 55.358 56.287 -0.148 0.000 0.829 43 K CB 2.293 34.690 32.500 -0.172 0.000 1.358 43 K HN -0.129 8.121 8.250 -0.000 0.000 0.430 44 V N 3.943 123.716 119.914 -0.235 0.000 2.540 44 V HA 0.485 4.603 4.120 -0.003 0.000 0.302 44 V C -1.318 174.604 176.094 -0.288 0.000 1.035 44 V CA -0.661 61.542 62.300 -0.162 0.000 0.873 44 V CB 1.276 33.029 31.823 -0.117 0.000 0.992 44 V HN 0.714 8.904 8.190 -0.000 0.000 0.428 45 Y N 2.673 122.948 120.300 -0.042 0.000 2.331 45 Y HA 0.737 5.286 4.550 -0.002 0.000 0.338 45 Y C 0.447 176.270 175.900 -0.129 0.000 0.992 45 Y CA -0.455 57.571 58.100 -0.123 0.000 1.121 45 Y CB 1.846 40.279 38.460 -0.044 0.000 1.184 45 Y HN 0.722 9.002 8.280 -0.000 0.000 0.469 46 A N 4.344 127.070 122.820 -0.158 0.000 2.355 46 A HA 0.839 5.157 4.320 -0.003 0.000 0.317 46 A C -1.564 175.851 177.584 -0.283 0.000 1.094 46 A CA -0.591 51.389 52.037 -0.095 0.000 0.764 46 A CB 0.559 19.514 19.000 -0.076 0.000 1.230 46 A HN 0.644 8.794 8.150 -0.000 0.000 0.448 47 F N 1.191 121.099 119.950 -0.070 0.000 2.495 47 F HA 0.613 5.139 4.527 -0.003 0.000 0.327 47 F C 0.209 175.953 175.800 -0.094 0.000 1.103 47 F CA -0.127 57.813 58.000 -0.100 0.000 0.949 47 F CB 2.303 41.252 39.000 -0.084 0.000 1.142 47 F HN 0.591 8.891 8.300 -0.000 0.000 0.457 48 D N 0.497 120.931 120.400 0.056 0.000 2.609 48 D HA 0.279 4.917 4.640 -0.003 0.000 0.239 48 D C -0.084 176.206 176.300 -0.016 0.000 1.229 48 D CA -0.243 53.762 54.000 0.008 0.000 0.808 48 D CB 2.752 43.548 40.800 -0.007 0.000 1.448 48 D HN 0.403 8.773 8.370 -0.000 0.000 0.433 49 V N -0.717 119.177 119.914 -0.033 0.000 3.660 49 V HA 0.340 4.458 4.120 -0.003 0.000 0.276 49 V C 0.354 176.438 176.094 -0.016 0.000 1.317 49 V CA 0.354 62.638 62.300 -0.027 0.000 1.097 49 V CB 0.024 31.823 31.823 -0.041 0.000 0.863 49 V HN 0.316 8.506 8.190 -0.000 0.000 0.438 50 Q N 0.564 120.356 119.800 -0.014 0.000 2.307 50 Q HA 0.526 4.864 4.340 -0.003 0.000 0.262 50 Q C 1.408 177.400 176.000 -0.013 0.000 0.961 50 Q CA 0.379 56.177 55.803 -0.009 0.000 0.882 50 Q CB 1.858 30.595 28.738 -0.003 0.000 1.264 50 Q HN 0.541 8.811 8.270 -0.000 0.000 0.446 51 E N 2.617 122.810 120.200 -0.012 0.000 2.130 51 E HA -0.323 4.025 4.350 -0.003 0.000 0.196 51 E C 1.689 178.280 176.600 -0.014 0.000 0.998 51 E CA 2.042 58.433 56.400 -0.015 0.000 0.806 51 E CB -0.401 29.292 29.700 -0.011 0.000 0.738 51 E HN 0.786 9.146 8.360 -0.000 0.000 0.459 52 Q N -0.468 119.326 119.800 -0.010 0.000 2.135 52 Q HA -0.097 4.241 4.340 -0.003 0.000 0.204 52 Q C 2.442 178.436 176.000 -0.009 0.000 0.981 52 Q CA 1.902 57.700 55.803 -0.007 0.000 0.856 52 Q CB -0.384 28.352 28.738 -0.003 0.000 0.902 52 Q HN 0.576 8.846 8.270 -0.000 0.000 0.425 53 A N 0.332 123.146 122.820 -0.010 0.000 1.877 53 A HA -0.176 4.142 4.320 -0.003 0.000 0.216 53 A C 1.949 179.521 177.584 -0.021 0.000 1.186 53 A CA 1.426 53.456 52.037 -0.012 0.000 0.620 53 A CB -0.639 18.354 19.000 -0.011 0.000 0.822 53 A HN 0.424 8.574 8.150 -0.000 0.000 0.443 54 L N -0.264 120.942 121.223 -0.028 0.000 2.093 54 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 54 L C 2.387 179.239 176.870 -0.031 0.000 1.085 54 L CA 1.310 56.127 54.840 -0.039 0.000 0.755 54 L CB -0.488 41.542 42.059 -0.048 0.000 0.904 54 L HN 0.395 8.625 8.230 -0.000 0.000 0.435 55 I N -0.686 119.870 120.570 -0.023 0.000 2.142 55 I HA -0.340 3.828 4.170 -0.003 0.000 0.240 55 I C 2.420 178.528 176.117 -0.016 0.000 1.078 55 I CA 1.426 62.715 61.300 -0.018 0.000 1.343 55 I CB -0.409 37.583 38.000 -0.013 0.000 1.046 55 I HN 0.231 8.441 8.210 -0.000 0.000 0.405 56 K N 0.178 120.571 120.400 -0.012 0.000 2.057 56 K HA -0.141 4.177 4.320 -0.003 0.000 0.207 56 K C 2.118 178.712 176.600 -0.010 0.000 1.049 56 K CA 1.939 58.221 56.287 -0.008 0.000 0.931 56 K CB -0.405 32.093 32.500 -0.004 0.000 0.714 56 K HN 0.341 8.591 8.250 -0.000 0.000 0.440 57 T N 0.904 115.448 114.554 -0.016 0.000 2.777 57 T HA -0.125 4.223 4.350 -0.003 0.000 0.266 57 T C 1.847 176.531 174.700 -0.028 0.000 1.040 57 T CA 1.264 63.352 62.100 -0.021 0.000 1.141 57 T CB -0.156 68.694 68.868 -0.029 0.000 0.868 57 T HN 0.181 8.421 8.240 -0.000 0.000 0.444 58 R N 1.596 122.077 120.500 -0.032 0.000 2.103 58 R HA -0.139 4.199 4.340 -0.003 0.000 0.242 58 R C 2.548 178.833 176.300 -0.024 0.000 1.142 58 R CA 1.917 57.996 56.100 -0.034 0.000 0.960 58 R CB -0.607 29.674 30.300 -0.033 0.000 0.858 58 R HN 0.274 8.544 8.270 -0.000 0.000 0.439 59 E N 0.138 120.328 120.200 -0.017 0.000 2.085 59 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 59 E C 1.948 178.545 176.600 -0.006 0.000 0.994 59 E CA 1.730 58.124 56.400 -0.010 0.000 0.801 59 E CB -0.196 29.500 29.700 -0.005 0.000 0.743 59 E HN 0.549 8.909 8.360 -0.000 0.000 0.453 60 K N -0.076 120.321 120.400 -0.005 0.000 2.057 60 K HA 0.011 4.329 4.320 -0.003 0.000 0.206 60 K C 2.387 178.984 176.600 -0.005 0.000 1.050 60 K CA 1.152 57.441 56.287 0.003 0.000 0.935 60 K CB -0.288 32.218 32.500 0.010 0.000 0.715 60 K HN 0.219 8.469 8.250 -0.000 0.000 0.439 61 L N 1.026 122.235 121.223 -0.023 0.000 2.046 61 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 61 L C 2.226 179.080 176.870 -0.026 0.000 1.077 61 L CA 1.418 56.235 54.840 -0.038 0.000 0.747 61 L CB -0.481 41.545 42.059 -0.055 0.000 0.896 61 L HN 0.249 8.479 8.230 -0.000 0.000 0.432 62 E N -0.091 120.097 120.200 -0.020 0.000 2.051 62 E HA -0.255 4.093 4.350 -0.003 0.000 0.192 62 E C 2.251 178.848 176.600 -0.005 0.000 0.991 62 E CA 1.083 57.475 56.400 -0.014 0.000 0.799 62 E CB -0.113 29.579 29.700 -0.014 0.000 0.748 62 E HN 0.509 8.869 8.360 -0.000 0.000 0.449 63 Q N 0.241 120.041 119.800 0.001 0.000 2.112 63 Q HA -0.157 4.181 4.340 -0.003 0.000 0.206 63 Q C 1.940 177.949 176.000 0.016 0.000 0.987 63 Q CA 1.161 56.969 55.803 0.009 0.000 0.858 63 Q CB -0.036 28.711 28.738 0.014 0.000 0.905 63 Q HN 0.297 8.567 8.270 -0.000 0.000 0.420 64 L N -0.113 121.122 121.223 0.020 0.000 2.607 64 L HA 0.124 4.462 4.340 -0.003 0.000 0.228 64 L C -0.461 176.423 176.870 0.024 0.000 1.123 64 L CA -0.178 54.684 54.840 0.038 0.000 0.890 64 L CB -0.206 41.895 42.059 0.070 0.000 1.103 64 L HN 0.276 8.506 8.230 -0.000 0.000 0.468 65 N N 0.394 119.097 118.700 0.004 0.000 2.738 65 N HA -0.196 4.542 4.740 -0.003 0.000 0.249 65 N C -0.404 175.096 175.510 -0.016 0.000 1.047 65 N CA 0.252 53.298 53.050 -0.006 0.000 0.707 65 N CB -1.479 37.008 38.487 0.000 0.000 0.937 65 N HN 0.301 8.681 8.380 -0.000 0.000 0.545 66 I N 0.413 120.964 120.570 -0.033 0.000 2.371 66 I HA 0.101 4.269 4.170 -0.003 0.000 0.290 66 I C 1.302 177.377 176.117 -0.069 0.000 1.028 66 I CA -0.220 61.042 61.300 -0.062 0.000 1.345 66 I CB 1.087 39.024 38.000 -0.104 0.000 1.407 66 I HN 0.124 8.334 8.210 -0.000 0.000 0.501 67 K N 4.128 124.485 120.400 -0.071 0.000 2.373 67 K HA 0.106 4.424 4.320 -0.003 0.000 0.200 67 K C 0.558 177.103 176.600 -0.093 0.000 1.054 67 K CA 0.218 56.462 56.287 -0.071 0.000 1.065 67 K CB 0.181 32.650 32.500 -0.053 0.000 0.886 67 K HN 0.631 8.881 8.250 -0.000 0.000 0.546 68 N N 0.746 119.379 118.700 -0.112 0.000 2.320 68 N HA 0.041 4.779 4.740 -0.003 0.000 0.237 68 N C -0.450 174.951 175.510 -0.181 0.000 1.129 68 N CA -0.168 52.801 53.050 -0.135 0.000 0.854 68 N CB 0.275 38.689 38.487 -0.121 0.000 1.083 68 N HN -0.264 8.116 8.380 -0.000 0.000 0.504 69 V N 0.580 120.387 119.914 -0.178 0.000 2.604 69 V HA 0.355 4.473 4.120 -0.003 0.000 0.305 69 V C -0.487 175.476 176.094 -0.219 0.000 1.043 69 V CA -0.867 61.309 62.300 -0.206 0.000 0.888 69 V CB 2.140 33.865 31.823 -0.163 0.000 0.995 69 V HN 0.287 8.477 8.190 -0.000 0.000 0.429 70 Q N 4.270 123.897 119.800 -0.288 0.000 2.348 70 Q HA 0.612 4.950 4.340 -0.003 0.000 0.265 70 Q C -1.590 174.267 176.000 -0.238 0.000 0.998 70 Q CA -0.548 55.105 55.803 -0.250 0.000 0.831 70 Q CB 1.442 30.002 28.738 -0.297 0.000 1.251 70 Q HN 0.729 8.999 8.270 -0.000 0.000 0.456 71 L N 5.246 126.350 121.223 -0.199 0.000 2.312 71 L HA 0.508 4.846 4.340 -0.003 0.000 0.281 71 L C -0.348 176.359 176.870 -0.271 0.000 1.070 71 L CA -0.564 54.147 54.840 -0.215 0.000 0.805 71 L CB 1.046 43.018 42.059 -0.144 0.000 1.174 71 L HN 0.648 8.878 8.230 -0.000 0.000 0.434 72 I N 4.172 124.511 120.570 -0.386 0.000 2.478 72 I HA 0.171 4.339 4.170 -0.003 0.000 0.287 72 I C -0.667 175.264 176.117 -0.309 0.000 1.042 72 I CA -0.574 60.431 61.300 -0.492 0.000 1.067 72 I CB 2.341 39.720 38.000 -1.036 0.000 1.233 72 I HN 0.362 8.572 8.210 -0.000 0.000 0.431 73 L N 6.740 127.851 121.223 -0.187 0.000 2.389 73 L HA 0.517 4.855 4.340 -0.003 0.000 0.265 73 L C -0.908 175.938 176.870 -0.040 0.000 1.167 73 L CA 0.873 55.661 54.840 -0.085 0.000 1.045 73 L CB -0.640 41.389 42.059 -0.049 0.000 1.351 73 L HN 0.508 8.738 8.230 -0.000 0.000 0.419 74 D N 1.589 121.984 120.400 -0.008 0.000 2.728 74 D HA 0.369 5.007 4.640 -0.003 0.000 0.249 74 D C -0.425 175.955 176.300 0.133 0.000 1.225 74 D CA 0.037 54.088 54.000 0.085 0.000 0.748 74 D CB 1.610 42.505 40.800 0.160 0.000 1.326 74 D HN 0.396 8.766 8.370 -0.000 0.000 0.426 75 G N 0.330 109.171 108.800 0.068 0.000 2.432 75 G HA2 0.116 4.074 3.960 -0.003 0.000 0.239 75 G HA3 0.116 4.074 3.960 -0.003 0.000 0.239 75 G C 1.255 176.102 174.900 -0.090 0.000 1.291 75 G CA 0.072 45.128 45.100 -0.073 0.000 0.863 75 G HN 0.668 8.958 8.290 -0.000 0.000 0.560 76 H N 0.645 119.625 119.070 -0.150 0.000 2.489 76 H HA -0.172 4.382 4.556 -0.004 0.000 0.295 76 H C 1.939 177.052 175.328 -0.358 0.000 1.082 76 H CA 1.128 56.853 56.048 -0.539 0.000 1.295 76 H CB 0.086 29.596 29.762 -0.419 0.000 1.380 76 H HN 0.647 8.927 8.280 -0.000 0.000 0.548 77 Q N 2.374 122.245 119.800 0.119 0.000 2.437 77 Q HA -0.084 4.254 4.340 -0.003 0.000 0.210 77 Q C 1.444 177.459 176.000 0.024 0.000 0.972 77 Q CA 1.628 57.473 55.803 0.071 0.000 0.903 77 Q CB -0.623 28.169 28.738 0.089 0.000 0.967 77 Q HN 0.582 8.852 8.270 -0.000 0.000 0.486 78 T N -2.620 111.958 114.554 0.041 0.000 3.163 78 T HA 0.210 4.558 4.350 -0.003 0.000 0.252 78 T C 1.588 176.411 174.700 0.204 0.000 1.056 78 T CA -0.161 62.026 62.100 0.144 0.000 0.947 78 T CB -0.357 68.691 68.868 0.299 0.000 1.016 78 T HN 0.294 8.534 8.240 -0.000 0.000 0.554 79 I N 1.901 122.478 120.570 0.011 0.000 2.248 79 I HA -0.268 3.900 4.170 -0.003 0.000 0.248 79 I C 1.875 178.076 176.117 0.141 0.000 1.107 79 I CA 1.540 62.861 61.300 0.036 0.000 1.373 79 I CB -0.251 37.611 38.000 -0.229 0.000 1.055 79 I HN 0.366 8.576 8.210 -0.000 0.000 0.418 80 N N 0.466 119.199 118.700 0.055 0.000 2.453 80 N HA -0.224 4.514 4.740 -0.003 0.000 0.183 80 N C 1.712 177.212 175.510 -0.016 0.000 1.041 80 N CA 0.735 53.795 53.050 0.017 0.000 0.900 80 N CB -0.078 38.410 38.487 0.002 0.000 0.961 80 N HN 0.415 8.795 8.380 -0.000 0.000 0.443 81 K N 0.088 120.460 120.400 -0.047 0.000 2.366 81 K HA -0.076 4.242 4.320 -0.003 0.000 0.198 81 K C 0.547 176.918 176.600 -0.381 0.000 1.044 81 K CA 0.964 57.105 56.287 -0.243 0.000 0.973 81 K CB 0.188 32.470 32.500 -0.364 0.000 0.767 81 K HN 0.228 8.478 8.250 -0.000 0.000 0.475 82 Y N -0.558 119.765 120.300 0.039 0.000 2.581 82 Y HA 0.225 4.772 4.550 -0.004 0.000 0.271 82 Y C 0.079 175.884 175.900 -0.159 0.000 1.100 82 Y CA -0.480 57.622 58.100 0.004 0.000 1.281 82 Y CB 1.226 39.732 38.460 0.077 0.000 1.237 82 Y HN -0.252 8.028 8.280 -0.000 0.000 0.514 83 V N 1.300 121.170 119.914 -0.074 0.000 2.378 83 V HA 0.209 4.327 4.120 -0.003 0.000 0.288 83 V C 0.644 176.668 176.094 -0.117 0.000 1.016 83 V CA 0.079 62.191 62.300 -0.312 0.000 0.840 83 V CB 1.235 32.806 31.823 -0.422 0.000 0.994 83 V HN 0.403 8.593 8.190 -0.000 0.000 0.431 84 T N 0.862 115.375 114.554 -0.069 0.000 3.023 84 T HA 0.188 4.536 4.350 -0.003 0.000 0.249 84 T C 0.492 175.196 174.700 0.006 0.000 1.050 84 T CA -0.154 61.937 62.100 -0.015 0.000 1.088 84 T CB 0.176 69.048 68.868 0.006 0.000 0.946 84 T HN 0.572 8.812 8.240 -0.000 0.000 0.480 85 E N 2.818 123.031 120.200 0.022 0.000 2.390 85 E HA 0.422 4.770 4.350 -0.003 0.000 0.261 85 E C -2.659 173.966 176.600 0.043 0.000 1.076 85 E CA -1.956 54.472 56.400 0.046 0.000 0.905 85 E CB -0.171 29.580 29.700 0.085 0.000 0.984 85 E HN 0.235 8.595 8.360 -0.000 0.000 0.427 86 P HA 0.053 4.473 4.420 -0.000 0.000 0.269 86 P C -0.698 176.638 177.300 0.060 0.000 1.209 86 P CA 0.280 63.408 63.100 0.048 0.000 0.776 86 P CB 0.449 32.174 31.700 0.041 0.000 0.876 87 I N 2.576 123.186 120.570 0.066 0.000 2.412 87 I HA 0.344 4.512 4.170 -0.003 0.000 0.296 87 I C 1.505 177.663 176.117 0.068 0.000 0.987 87 I CA -0.485 60.862 61.300 0.078 0.000 1.180 87 I CB 2.021 40.073 38.000 0.087 0.000 1.340 87 I HN 0.271 8.481 8.210 -0.000 0.000 0.455 88 R N 4.594 125.129 120.500 0.059 0.000 2.105 88 R HA 0.412 4.750 4.340 -0.003 0.000 0.214 88 R C -0.072 176.248 176.300 0.033 0.000 1.091 88 R CA 0.809 56.929 56.100 0.035 0.000 1.007 88 R CB 0.379 30.688 30.300 0.016 0.000 0.912 88 R HN 0.752 9.022 8.270 -0.000 0.000 0.450 89 A N -0.796 122.054 122.820 0.049 0.000 2.549 89 A HA 0.835 5.153 4.320 -0.003 0.000 0.297 89 A C -1.564 176.077 177.584 0.095 0.000 1.061 89 A CA -0.318 51.754 52.037 0.058 0.000 0.690 89 A CB 1.753 20.770 19.000 0.028 0.000 1.287 89 A HN 0.322 8.472 8.150 -0.000 0.000 0.402 90 A N 0.790 123.687 122.820 0.129 0.000 2.572 90 A HA 0.847 5.165 4.320 -0.003 0.000 0.295 90 A C -1.304 176.383 177.584 0.171 0.000 1.072 90 A CA -0.323 51.792 52.037 0.130 0.000 0.691 90 A CB 1.134 20.216 19.000 0.137 0.000 1.291 90 A HN 1.746 9.896 8.150 -0.000 0.000 0.404 91 I N 0.304 120.939 120.570 0.110 0.000 2.686 91 I HA 0.747 4.915 4.170 -0.003 0.000 0.295 91 I C -1.921 174.213 176.117 0.029 0.000 1.114 91 I CA -0.888 60.508 61.300 0.160 0.000 1.038 91 I CB 1.626 39.728 38.000 0.171 0.000 1.238 91 I HN 0.601 8.811 8.210 -0.000 0.000 0.420 92 F N 5.459 125.449 119.950 0.066 0.000 2.495 92 F HA 0.474 5.000 4.527 -0.003 0.000 0.327 92 F C 0.185 176.028 175.800 0.072 0.000 1.103 92 F CA -0.648 57.376 58.000 0.039 0.000 0.949 92 F CB 1.747 40.727 39.000 -0.034 0.000 1.142 92 F HN 0.345 8.645 8.300 -0.000 0.000 0.457 93 N N 5.040 123.882 118.700 0.237 0.000 2.626 93 N HA 0.377 5.115 4.740 -0.003 0.000 0.242 93 N C -0.875 174.736 175.510 0.169 0.000 1.005 93 N CA -0.250 52.928 53.050 0.213 0.000 0.905 93 N CB 1.234 39.792 38.487 0.119 0.000 1.128 93 N HN 0.417 8.797 8.380 -0.000 0.000 0.512 94 L N 0.072 121.429 121.223 0.225 0.000 2.476 94 L HA 0.344 4.682 4.340 -0.003 0.000 0.255 94 L C 1.330 178.244 176.870 0.072 0.000 1.218 94 L CA -0.276 54.662 54.840 0.164 0.000 0.819 94 L CB 0.347 42.481 42.059 0.124 0.000 1.119 94 L HN 0.610 8.840 8.230 -0.000 0.000 0.485 95 G N 1.527 110.366 108.800 0.065 0.000 2.422 95 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.290 95 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.290 95 G C -0.260 174.533 174.900 -0.178 0.000 1.059 95 G CA 0.108 45.228 45.100 0.033 0.000 1.242 95 G HN 1.518 9.808 8.290 -0.000 0.000 0.520 96 Y N -2.468 117.804 120.300 -0.047 0.000 2.520 96 Y HA -0.114 4.434 4.550 -0.003 0.000 0.024 96 Y C -0.138 175.696 175.900 -0.109 0.000 1.714 96 Y CA 0.302 58.365 58.100 -0.061 0.000 1.409 96 Y CB -0.862 37.577 38.460 -0.036 0.000 2.055 96 Y HN 1.823 10.104 8.280 -0.000 0.000 0.256 97 L N 2.644 123.940 121.223 0.121 0.000 2.330 97 L HA 0.874 5.212 4.340 -0.003 0.000 0.271 97 L C -2.424 174.560 176.870 0.189 0.000 1.013 97 L CA -2.597 52.262 54.840 0.033 0.000 0.816 97 L CB 2.003 44.057 42.059 -0.009 0.000 1.287 97 L HN 0.433 8.663 8.230 -0.000 0.000 0.435 98 P HA 0.142 4.562 4.420 -0.000 0.000 0.238 98 P C -0.331 177.009 177.300 0.066 0.000 1.434 98 P CA 0.908 64.077 63.100 0.114 0.000 1.292 98 P CB -0.208 31.527 31.700 0.058 0.000 1.804 99 S N 1.120 116.859 115.700 0.066 0.000 3.202 99 S HA 0.531 4.999 4.470 -0.003 0.000 0.132 99 S C 0.304 174.912 174.600 0.013 0.000 0.854 99 S CA 0.177 58.395 58.200 0.029 0.000 0.832 99 S CB -0.663 62.552 63.200 0.025 0.000 1.430 99 S HN 0.457 8.767 8.310 -0.000 0.000 0.643 104 V N 0.844 120.761 119.914 0.006 0.000 5.925 104 V HA -0.234 3.884 4.120 -0.003 0.000 0.321 104 V C 0.603 176.733 176.094 0.060 0.000 0.499 104 V CA 1.363 63.678 62.300 0.025 0.000 0.667 104 V CB -2.664 29.171 31.823 0.019 0.000 0.336 104 V HN 1.066 9.256 8.190 -0.000 0.000 1.132 105 I N -1.227 119.387 120.570 0.073 0.000 2.764 105 I HA 0.707 4.875 4.170 -0.003 0.000 0.294 105 I C 1.100 177.274 176.117 0.094 0.000 1.045 105 I CA 0.151 61.521 61.300 0.118 0.000 1.340 105 I CB 1.194 39.277 38.000 0.138 0.000 1.436 105 I HN 0.422 8.632 8.210 -0.000 0.000 0.567 106 T N 1.498 116.123 114.554 0.117 0.000 2.900 106 T HA 0.325 4.673 4.350 -0.003 0.000 0.307 106 T C -0.204 174.560 174.700 0.106 0.000 1.065 106 T CA -0.403 61.779 62.100 0.136 0.000 1.105 106 T CB 1.317 70.305 68.868 0.200 0.000 0.979 106 T HN 0.723 8.963 8.240 -0.000 0.000 0.544 107 Q N 1.672 121.533 119.800 0.101 0.000 2.394 107 Q HA 0.444 4.782 4.340 -0.003 0.000 0.273 107 Q C -2.055 173.969 176.000 0.039 0.000 1.089 107 Q CA -2.404 53.437 55.803 0.062 0.000 0.812 107 Q CB 2.309 31.076 28.738 0.049 0.000 1.353 107 Q HN 0.315 8.585 8.270 -0.000 0.000 0.438 108 P HA -0.249 4.171 4.420 -0.000 0.000 0.213 108 P C 0.312 177.585 177.300 -0.046 0.000 1.170 108 P CA 2.365 65.450 63.100 -0.025 0.000 0.902 108 P CB 0.190 31.882 31.700 -0.013 0.000 0.789 109 A N -0.590 122.217 122.820 -0.021 0.000 1.877 109 A HA -0.212 4.106 4.320 -0.003 0.000 0.216 109 A C 2.277 179.846 177.584 -0.025 0.000 1.186 109 A CA 2.972 54.992 52.037 -0.027 0.000 0.620 109 A CB -2.047 16.950 19.000 -0.006 0.000 0.822 109 A HN 0.365 8.515 8.150 -0.000 0.000 0.443 110 T N -3.130 111.439 114.554 0.025 0.000 2.821 110 T HA -0.122 4.226 4.350 -0.003 0.000 0.267 110 T C 1.840 176.608 174.700 0.113 0.000 1.046 110 T CA 1.938 64.091 62.100 0.089 0.000 1.139 110 T CB -1.013 67.930 68.868 0.125 0.000 0.871 110 T HN 0.329 8.569 8.240 -0.000 0.000 0.454 111 T N 2.446 117.031 114.554 0.053 0.000 2.652 111 T HA 0.076 4.424 4.350 -0.003 0.000 0.267 111 T C 1.902 176.380 174.700 -0.370 0.000 1.039 111 T CA 1.262 63.272 62.100 -0.151 0.000 1.153 111 T CB -0.539 68.230 68.868 -0.165 0.000 0.863 111 T HN 0.278 8.518 8.240 -0.000 0.000 0.428 112 L N 0.610 121.626 121.223 -0.345 0.000 2.141 112 L HA -0.094 4.244 4.340 -0.003 0.000 0.209 112 L C 2.866 179.462 176.870 -0.457 0.000 1.094 112 L CA 1.127 55.638 54.840 -0.550 0.000 0.763 112 L CB -0.959 40.812 42.059 -0.478 0.000 0.908 112 L HN 0.319 8.549 8.230 -0.000 0.000 0.437 113 T N -0.079 114.337 114.554 -0.230 0.000 2.788 113 T HA -0.135 4.213 4.350 -0.003 0.000 0.268 113 T C 1.992 176.623 174.700 -0.115 0.000 1.044 113 T CA 1.302 63.324 62.100 -0.131 0.000 1.139 113 T CB -0.115 68.725 68.868 -0.046 0.000 0.867 113 T HN 0.444 8.684 8.240 -0.000 0.000 0.454 114 A N 0.982 123.740 122.820 -0.103 0.000 1.897 114 A HA 0.065 4.383 4.320 -0.003 0.000 0.215 114 A C 2.264 179.825 177.584 -0.037 0.000 1.181 114 A CA 0.913 52.931 52.037 -0.033 0.000 0.620 114 A CB -0.671 18.330 19.000 0.001 0.000 0.821 114 A HN 0.493 8.643 8.150 -0.000 0.000 0.443 115 I N -0.425 119.989 120.570 -0.261 0.000 2.127 115 I HA -0.296 3.872 4.170 -0.003 0.000 0.241 115 I C 2.565 178.578 176.117 -0.173 0.000 1.075 115 I CA 1.951 63.059 61.300 -0.320 0.000 1.334 115 I CB -0.291 37.319 38.000 -0.650 0.000 1.040 115 I HN 0.367 8.577 8.210 -0.000 0.000 0.405 116 K N 1.428 121.688 120.400 -0.233 0.000 2.020 116 K HA -0.248 4.070 4.320 -0.003 0.000 0.212 116 K C 2.142 178.754 176.600 0.020 0.000 1.050 116 K CA 1.809 58.084 56.287 -0.020 0.000 0.929 116 K CB -0.013 32.488 32.500 0.001 0.000 0.714 116 K HN 0.200 8.450 8.250 -0.000 0.000 0.443 117 K N 0.271 120.668 120.400 -0.004 0.000 2.097 117 K HA -0.097 4.221 4.320 -0.003 0.000 0.206 117 K C 2.138 178.763 176.600 0.041 0.000 1.049 117 K CA 1.495 57.793 56.287 0.019 0.000 0.933 117 K CB -0.107 32.392 32.500 -0.001 0.000 0.717 117 K HN 0.194 8.444 8.250 -0.000 0.000 0.442 118 I N 1.078 121.676 120.570 0.047 0.000 2.252 118 I HA -0.274 3.894 4.170 -0.003 0.000 0.245 118 I C 2.100 178.286 176.117 0.116 0.000 1.102 118 I CA 1.141 62.490 61.300 0.082 0.000 1.385 118 I CB -0.158 37.918 38.000 0.126 0.000 1.064 118 I HN 0.129 8.339 8.210 -0.000 0.000 0.414 119 L N 0.199 121.490 121.223 0.113 0.000 2.131 119 L HA -0.212 4.126 4.340 -0.003 0.000 0.210 119 L C 2.375 179.394 176.870 0.247 0.000 1.092 119 L CA 1.422 56.369 54.840 0.179 0.000 0.759 119 L CB -0.575 41.489 42.059 0.008 0.000 0.903 119 L HN 0.282 8.512 8.230 -0.000 0.000 0.435 120 E N -0.374 119.924 120.200 0.163 0.000 2.150 120 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 120 E C 2.112 178.785 176.600 0.121 0.000 0.985 120 E CA 0.644 57.133 56.400 0.147 0.000 0.814 120 E CB 0.133 29.890 29.700 0.094 0.000 0.752 120 E HN 0.282 8.642 8.360 -0.000 0.000 0.466 121 R N 0.219 120.781 120.500 0.104 0.000 2.276 121 R HA 0.152 4.490 4.340 -0.003 0.000 0.196 121 R C 0.648 177.002 176.300 0.091 0.000 0.961 121 R CA 0.061 56.209 56.100 0.081 0.000 1.024 121 R CB -0.244 30.090 30.300 0.058 0.000 0.940 121 R HN 0.190 8.460 8.270 -0.000 0.000 0.480 122 L N 2.344 123.642 121.223 0.125 0.000 2.485 122 L HA -0.013 4.325 4.340 -0.003 0.000 0.275 122 L C 0.665 177.587 176.870 0.088 0.000 1.207 122 L CA 0.349 55.261 54.840 0.121 0.000 0.855 122 L CB 0.361 42.525 42.059 0.176 0.000 1.114 122 L HN 0.033 8.263 8.230 -0.000 0.000 0.485 123 E N 2.609 122.847 120.200 0.063 0.000 2.404 123 E HA 0.110 4.458 4.350 -0.003 0.000 0.261 123 E C -0.245 176.370 176.600 0.026 0.000 1.074 123 E CA -0.754 55.669 56.400 0.039 0.000 0.917 123 E CB 0.745 30.462 29.700 0.027 0.000 0.965 123 E HN 0.276 8.636 8.360 -0.000 0.000 0.433 124 I N 1.934 122.507 120.570 0.005 0.000 2.752 124 I HA -0.093 4.075 4.170 -0.003 0.000 0.289 124 I C 1.604 177.714 176.117 -0.013 0.000 1.197 124 I CA 1.327 62.616 61.300 -0.018 0.000 1.432 124 I CB -0.556 37.428 38.000 -0.026 0.000 1.359 124 I HN 0.955 9.165 8.210 -0.000 0.000 0.571 125 G N 4.548 113.338 108.800 -0.017 0.000 2.199 125 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.254 125 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.254 125 G C 0.709 175.602 174.900 -0.012 0.000 0.982 125 G CA 0.063 45.154 45.100 -0.015 0.000 0.632 125 G HN 1.055 9.345 8.290 -0.000 0.000 0.529 126 G N -0.338 108.471 108.800 0.014 0.000 2.594 126 G HA2 0.525 4.483 3.960 -0.003 0.000 0.243 126 G HA3 0.525 4.483 3.960 -0.003 0.000 0.243 126 G C 0.049 174.975 174.900 0.044 0.000 1.229 126 G CA -0.135 44.981 45.100 0.027 0.000 0.843 126 G HN 0.580 8.870 8.290 -0.000 0.000 0.578 127 R N -0.425 120.085 120.500 0.018 0.000 2.686 127 R HA 0.472 4.810 4.340 -0.003 0.000 0.283 127 R C -1.465 174.945 176.300 0.183 0.000 0.978 127 R CA -0.890 55.236 56.100 0.042 0.000 0.897 127 R CB 2.205 32.263 30.300 -0.404 0.000 1.192 127 R HN 0.377 8.647 8.270 -0.000 0.000 0.457 128 L N 1.790 123.214 121.223 0.334 0.000 2.356 128 L HA 0.685 5.023 4.340 -0.003 0.000 0.277 128 L C -1.113 176.002 176.870 0.407 0.000 0.996 128 L CA -0.297 54.738 54.840 0.324 0.000 0.822 128 L CB 1.806 44.019 42.059 0.256 0.000 1.256 128 L HN 0.788 9.018 8.230 -0.000 0.000 0.413 129 A N 6.543 129.591 122.820 0.379 0.000 2.288 129 A HA 0.777 5.095 4.320 -0.003 0.000 0.320 129 A C -0.694 177.036 177.584 0.243 0.000 1.217 129 A CA -0.383 51.840 52.037 0.310 0.000 0.840 129 A CB 0.217 19.432 19.000 0.357 0.000 1.179 129 A HN 0.694 8.844 8.150 -0.000 0.000 0.504 130 I N 3.642 124.295 120.570 0.139 0.000 2.382 130 I HA 0.247 4.415 4.170 -0.003 0.000 0.285 130 I C -0.401 175.728 176.117 0.020 0.000 1.007 130 I CA -0.360 60.994 61.300 0.090 0.000 1.142 130 I CB 1.570 39.545 38.000 -0.041 0.000 1.289 130 I HN 0.492 8.702 8.210 -0.000 0.000 0.453 131 M N 6.438 126.070 119.600 0.054 0.000 2.120 131 M HA 0.315 4.793 4.480 -0.003 0.000 0.354 131 M C -0.535 175.686 176.300 -0.133 0.000 1.287 131 M CA -0.497 54.773 55.300 -0.050 0.000 1.103 131 M CB 1.329 33.982 32.600 0.089 0.000 1.623 131 M HN 0.202 8.492 8.290 -0.000 0.000 0.471 132 V N 6.188 125.811 119.914 -0.485 0.000 2.328 132 V HA 0.305 4.423 4.120 -0.003 0.000 0.278 132 V C -0.742 175.071 176.094 -0.467 0.000 1.021 132 V CA -0.593 61.380 62.300 -0.544 0.000 0.838 132 V CB 0.327 31.474 31.823 -1.125 0.000 0.999 132 V HN 0.605 8.795 8.190 -0.000 0.000 0.447 133 Y N 5.877 126.107 120.300 -0.117 0.000 2.330 133 Y HA 0.675 5.223 4.550 -0.004 0.000 0.336 133 Y C 0.131 176.131 175.900 0.165 0.000 1.036 133 Y CA -0.476 57.627 58.100 0.004 0.000 1.125 133 Y CB 1.320 39.724 38.460 -0.095 0.000 1.194 133 Y HN 0.738 9.018 8.280 -0.000 0.000 0.469 139 G N 0.755 109.644 108.800 0.148 0.000 2.442 139 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.219 139 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.219 139 G C 1.087 176.118 174.900 0.218 0.000 1.141 139 G CA 1.709 46.936 45.100 0.211 0.000 0.763 139 G HN 0.423 8.713 8.290 -0.000 0.000 0.554 140 D N -0.887 119.631 120.400 0.197 0.000 2.194 140 D HA 0.034 4.672 4.640 -0.003 0.000 0.204 140 D C 2.494 178.834 176.300 0.066 0.000 0.964 140 D CA 0.873 54.966 54.000 0.155 0.000 0.846 140 D CB 0.073 40.973 40.800 0.167 0.000 0.962 140 D HN 0.203 8.573 8.370 -0.000 0.000 0.490 141 K N 0.445 120.883 120.400 0.062 0.000 2.057 141 K HA -0.128 4.190 4.320 -0.003 0.000 0.207 141 K C 1.982 178.594 176.600 0.020 0.000 1.049 141 K CA 1.425 57.734 56.287 0.036 0.000 0.931 141 K CB -0.244 32.278 32.500 0.036 0.000 0.714 141 K HN 0.352 8.602 8.250 -0.000 0.000 0.440 142 E N 0.064 120.280 120.200 0.026 0.000 2.047 142 E HA -0.197 4.151 4.350 -0.003 0.000 0.191 142 E C 2.241 178.824 176.600 -0.028 0.000 0.987 142 E CA 1.637 58.037 56.400 0.001 0.000 0.799 142 E CB -0.171 29.541 29.700 0.019 0.000 0.752 142 E HN 0.437 8.797 8.360 -0.000 0.000 0.449 143 K N 0.610 120.988 120.400 -0.037 0.000 2.000 143 K HA -0.256 4.062 4.320 -0.003 0.000 0.218 143 K C 1.726 178.305 176.600 -0.034 0.000 1.053 143 K CA 2.333 58.568 56.287 -0.087 0.000 0.946 143 K CB -0.219 32.130 32.500 -0.252 0.000 0.723 143 K HN 0.105 8.355 8.250 -0.000 0.000 0.446 144 D N 0.165 120.547 120.400 -0.030 0.000 2.133 144 D HA -0.185 4.453 4.640 -0.003 0.000 0.195 144 D C 1.868 178.168 176.300 0.000 0.000 0.997 144 D CA 1.541 55.533 54.000 -0.014 0.000 0.840 144 D CB -0.297 40.500 40.800 -0.006 0.000 0.947 144 D HN 0.474 8.844 8.370 -0.000 0.000 0.452 145 A N 0.686 123.505 122.820 -0.002 0.000 1.933 145 A HA -0.112 4.206 4.320 -0.003 0.000 0.218 145 A C 2.577 180.172 177.584 0.018 0.000 1.175 145 A CA 1.060 53.100 52.037 0.005 0.000 0.628 145 A CB -0.631 18.359 19.000 -0.016 0.000 0.814 145 A HN 0.148 8.298 8.150 -0.000 0.000 0.444 146 V N 0.039 119.943 119.914 -0.016 0.000 2.307 146 V HA -0.215 3.903 4.120 -0.003 0.000 0.245 146 V C 2.559 178.690 176.094 0.062 0.000 1.045 146 V CA 1.806 64.097 62.300 -0.016 0.000 1.024 146 V CB -0.690 31.084 31.823 -0.080 0.000 0.651 146 V HN 0.565 8.755 8.190 -0.000 0.000 0.449 147 L N 0.148 121.399 121.223 0.047 0.000 2.046 147 L HA -0.184 4.154 4.340 -0.003 0.000 0.208 147 L C 2.464 179.351 176.870 0.028 0.000 1.077 147 L CA 1.548 56.410 54.840 0.037 0.000 0.747 147 L CB -0.743 41.319 42.059 0.004 0.000 0.896 147 L HN 0.374 8.604 8.230 -0.000 0.000 0.432 148 N N -0.204 118.516 118.700 0.033 0.000 2.166 148 N HA -0.206 4.532 4.740 -0.003 0.000 0.186 148 N C 1.668 177.198 175.510 0.033 0.000 1.019 148 N CA 1.252 54.316 53.050 0.023 0.000 0.856 148 N CB -0.369 38.134 38.487 0.026 0.000 0.993 148 N HN 0.239 8.619 8.380 -0.000 0.000 0.426 149 F N 1.721 121.631 119.950 -0.067 0.000 2.084 149 F HA -0.155 4.370 4.527 -0.004 0.000 0.296 149 F C 2.207 177.951 175.800 -0.094 0.000 1.111 149 F CA 1.193 59.143 58.000 -0.084 0.000 1.224 149 F CB -0.391 38.545 39.000 -0.107 0.000 0.991 149 F HN -0.077 8.223 8.300 -0.000 0.000 0.471 150 V N 0.229 120.177 119.914 0.057 0.000 2.667 150 V HA -0.204 3.914 4.120 -0.003 0.000 0.252 150 V C 2.170 178.189 176.094 -0.125 0.000 1.065 150 V CA 1.840 64.103 62.300 -0.061 0.000 1.083 150 V CB -1.344 30.514 31.823 0.057 0.000 0.692 150 V HN 0.543 8.733 8.190 -0.000 0.000 0.468 151 K N 0.450 120.796 120.400 -0.090 0.000 2.209 151 K HA -0.090 4.228 4.320 -0.003 0.000 0.204 151 K C 1.681 178.216 176.600 -0.108 0.000 1.048 151 K CA 1.764 58.005 56.287 -0.077 0.000 0.940 151 K CB -0.299 32.169 32.500 -0.053 0.000 0.729 151 K HN 0.475 8.725 8.250 -0.000 0.000 0.451 152 E N 0.996 121.084 120.200 -0.186 0.000 2.479 152 E HA 0.112 4.460 4.350 -0.003 0.000 0.193 152 E C 0.250 176.725 176.600 -0.209 0.000 1.049 152 E CA -0.023 56.266 56.400 -0.186 0.000 0.870 152 E CB 0.063 29.639 29.700 -0.208 0.000 0.944 152 E HN 0.349 8.709 8.360 -0.000 0.000 0.492 153 L N 2.412 123.479 121.223 -0.260 0.000 2.540 153 L HA -0.038 4.300 4.340 -0.003 0.000 0.276 153 L C 0.636 177.521 176.870 0.025 0.000 1.212 153 L CA -0.102 54.628 54.840 -0.183 0.000 0.893 153 L CB 0.032 41.944 42.059 -0.245 0.000 1.138 153 L HN -0.088 8.142 8.230 -0.000 0.000 0.491 154 D N 2.189 122.668 120.400 0.132 0.000 2.417 154 D HA -0.040 4.598 4.640 -0.003 0.000 0.250 154 D C 1.093 177.526 176.300 0.221 0.000 1.166 154 D CA -0.039 54.064 54.000 0.172 0.000 0.881 154 D CB 0.964 41.895 40.800 0.217 0.000 1.164 154 D HN 0.553 8.923 8.370 -0.000 0.000 0.467 155 Q N 2.365 122.241 119.800 0.127 0.000 2.224 155 Q HA -0.238 4.100 4.340 -0.003 0.000 0.203 155 Q C 1.279 177.311 176.000 0.053 0.000 0.970 155 Q CA 1.125 56.985 55.803 0.094 0.000 0.865 155 Q CB -0.060 28.709 28.738 0.051 0.000 0.922 155 Q HN 0.616 8.886 8.270 -0.000 0.000 0.445 156 Q N -0.382 119.439 119.800 0.035 0.000 2.297 156 Q HA -0.103 4.235 4.340 -0.003 0.000 0.204 156 Q C 0.828 176.643 176.000 -0.309 0.000 0.962 156 Q CA 1.483 57.216 55.803 -0.117 0.000 0.879 156 Q CB 0.209 28.865 28.738 -0.136 0.000 0.947 156 Q HN 0.658 8.928 8.270 -0.000 0.000 0.462 157 H N -2.462 116.558 119.070 -0.084 0.000 2.729 157 H HA 0.245 4.799 4.556 -0.004 0.000 0.263 157 H C -0.694 174.220 175.328 -0.689 0.000 0.961 157 H CA 0.171 56.012 56.048 -0.344 0.000 1.217 157 H CB 0.746 30.318 29.762 -0.317 0.000 1.447 157 H HN -0.029 8.251 8.280 -0.000 0.000 0.496 158 F N -0.362 119.655 119.950 0.113 0.000 2.591 158 F HA 0.411 4.936 4.527 -0.004 0.000 0.309 158 F C -0.317 175.519 175.800 0.059 0.000 1.098 158 F CA -1.006 57.045 58.000 0.085 0.000 0.937 158 F CB 2.098 41.146 39.000 0.080 0.000 1.250 158 F HN -0.326 7.974 8.300 -0.000 0.000 0.447 159 T N 2.824 117.523 114.554 0.240 0.000 2.758 159 T HA 0.611 4.959 4.350 -0.003 0.000 0.285 159 T C -0.797 174.003 174.700 0.166 0.000 0.981 159 T CA -0.539 61.657 62.100 0.160 0.000 0.965 159 T CB 1.174 70.115 68.868 0.122 0.000 0.927 159 T HN 0.290 8.530 8.240 -0.000 0.000 0.448 160 V N 5.586 125.566 119.914 0.110 0.000 2.409 160 V HA 0.540 4.658 4.120 -0.003 0.000 0.291 160 V C -0.405 175.709 176.094 0.033 0.000 1.020 160 V CA -0.790 61.554 62.300 0.073 0.000 0.848 160 V CB 1.547 33.400 31.823 0.050 0.000 0.990 160 V HN 0.774 8.964 8.190 -0.000 0.000 0.430 161 M N 5.316 124.919 119.600 0.005 0.000 2.393 161 M HA 0.550 5.028 4.480 -0.003 0.000 0.316 161 M C -0.929 175.367 176.300 -0.006 0.000 1.087 161 M CA -0.832 54.462 55.300 -0.010 0.000 0.937 161 M CB 1.914 34.492 32.600 -0.035 0.000 1.668 161 M HN 0.531 8.821 8.290 -0.000 0.000 0.438 162 L N 3.617 124.844 121.223 0.007 0.000 2.307 162 L HA 0.461 4.799 4.340 -0.003 0.000 0.282 162 L C -1.683 175.239 176.870 0.087 0.000 1.051 162 L CA -0.136 54.713 54.840 0.016 0.000 0.804 162 L CB 0.801 42.812 42.059 -0.080 0.000 1.197 162 L HN 0.578 8.808 8.230 -0.000 0.000 0.431 163 Y N 4.785 125.068 120.300 -0.029 0.000 2.426 163 Y HA 0.518 5.067 4.550 -0.003 0.000 0.325 163 Y C -0.909 175.003 175.900 0.020 0.000 0.989 163 Y CA -0.363 57.724 58.100 -0.022 0.000 1.284 163 Y CB 0.808 39.248 38.460 -0.032 0.000 1.104 163 Y HN 0.744 9.024 8.280 -0.000 0.000 0.481 164 Q N 7.290 126.898 119.800 -0.321 0.000 2.305 164 Q HA 0.527 4.865 4.340 -0.003 0.000 0.271 164 Q C -2.813 173.020 176.000 -0.279 0.000 1.046 164 Q CA -2.268 53.392 55.803 -0.239 0.000 0.798 164 Q CB 2.258 30.818 28.738 -0.296 0.000 1.286 164 Q HN 0.456 8.726 8.270 -0.000 0.000 0.435 165 P HA 0.087 4.507 4.420 -0.000 0.000 0.271 165 P C -0.256 176.981 177.300 -0.106 0.000 1.216 165 P CA 0.064 63.070 63.100 -0.156 0.000 0.771 165 P CB 0.717 32.360 31.700 -0.095 0.000 0.864 166 L N 1.754 122.919 121.223 -0.096 0.000 2.470 166 L HA 0.094 4.432 4.340 -0.003 0.000 0.219 166 L C 1.243 178.085 176.870 -0.047 0.000 1.071 166 L CA 0.474 55.271 54.840 -0.071 0.000 0.850 166 L CB -0.122 41.895 42.059 -0.071 0.000 1.040 166 L HN 0.445 8.675 8.230 -0.000 0.000 0.475 167 N N -0.791 117.883 118.700 -0.045 0.000 2.282 167 N HA 0.055 4.793 4.740 -0.003 0.000 0.240 167 N C -0.136 175.357 175.510 -0.028 0.000 1.182 167 N CA -0.248 52.783 53.050 -0.032 0.000 0.874 167 N CB 0.416 38.886 38.487 -0.029 0.000 1.126 167 N HN 0.277 8.658 8.380 -0.000 0.000 0.516 168 Q N 0.955 120.738 119.800 -0.030 0.000 2.245 168 Q HA 0.489 4.827 4.340 -0.003 0.000 0.256 168 Q C 0.409 176.394 176.000 -0.024 0.000 0.942 168 Q CA -0.923 54.864 55.803 -0.026 0.000 0.896 168 Q CB 2.615 31.335 28.738 -0.030 0.000 1.272 168 Q HN 0.414 8.684 8.270 -0.000 0.000 0.442 169 I N -1.205 119.351 120.570 -0.023 0.000 3.021 169 I HA 0.318 4.486 4.170 -0.003 0.000 0.303 169 I C -0.273 175.823 176.117 -0.035 0.000 1.044 169 I CA -0.758 60.527 61.300 -0.025 0.000 1.266 169 I CB 0.616 38.605 38.000 -0.019 0.000 1.447 169 I HN 0.608 8.818 8.210 -0.000 0.000 0.593 170 N N 1.197 119.871 118.700 -0.043 0.000 2.758 170 N HA -0.172 4.566 4.740 -0.003 0.000 0.248 170 N C -0.365 175.081 175.510 -0.106 0.000 1.076 170 N CA 1.277 54.291 53.050 -0.060 0.000 0.696 170 N CB -2.092 36.372 38.487 -0.038 0.000 0.979 170 N HN 0.923 9.303 8.380 -0.000 0.000 0.550 171 T N -1.115 113.358 114.554 -0.136 0.000 3.044 171 T HA -0.164 4.184 4.350 -0.003 0.000 0.450 171 T C -2.229 172.326 174.700 -0.243 0.000 0.774 171 T CA 0.488 62.426 62.100 -0.270 0.000 2.290 171 T CB -0.486 68.053 68.868 -0.548 0.000 1.648 171 T HN 0.291 8.531 8.240 -0.000 0.000 0.569 172 P HA 0.349 4.769 4.420 -0.000 0.000 0.274 172 P C -2.172 175.113 177.300 -0.025 0.000 1.237 172 P CA -1.643 61.419 63.100 -0.062 0.000 0.793 172 P CB 0.107 31.788 31.700 -0.033 0.000 0.977 173 P HA 0.187 4.607 4.420 -0.000 0.000 0.272 173 P C -0.890 176.343 177.300 -0.113 0.000 1.230 173 P CA 0.185 63.080 63.100 -0.343 0.000 0.788 173 P CB 0.280 31.376 31.700 -1.007 0.000 0.949 174 F N -0.377 119.486 119.950 -0.146 0.000 2.650 174 F HA 0.715 5.240 4.527 -0.003 0.000 0.320 174 F C -1.667 174.087 175.800 -0.076 0.000 1.091 174 F CA -1.750 56.190 58.000 -0.099 0.000 0.962 174 F CB 0.683 39.640 39.000 -0.072 0.000 1.363 174 F HN 0.111 8.411 8.300 -0.000 0.000 0.482 175 L N 2.174 123.567 121.223 0.283 0.000 2.322 175 L HA 0.791 5.129 4.340 -0.003 0.000 0.281 175 L C -1.417 175.582 176.870 0.214 0.000 1.014 175 L CA -0.768 54.168 54.840 0.161 0.000 0.815 175 L CB 1.797 43.949 42.059 0.154 0.000 1.247 175 L HN 0.605 8.835 8.230 -0.000 0.000 0.421 176 V N 6.348 126.328 119.914 0.110 0.000 2.384 176 V HA 0.468 4.586 4.120 -0.003 0.000 0.287 176 V C 0.111 176.185 176.094 -0.034 0.000 1.020 176 V CA -0.377 61.965 62.300 0.070 0.000 0.850 176 V CB 1.395 33.270 31.823 0.088 0.000 0.987 176 V HN 0.801 8.991 8.190 -0.000 0.000 0.436 177 M N 6.163 125.673 119.600 -0.150 0.000 2.238 177 M HA 0.617 5.095 4.480 -0.003 0.000 0.350 177 M C -0.905 175.359 176.300 -0.060 0.000 1.138 177 M CA -0.062 55.004 55.300 -0.390 0.000 1.040 177 M CB 1.619 33.634 32.600 -0.976 0.000 1.639 177 M HN 0.441 8.731 8.290 -0.000 0.000 0.451 178 I N 1.944 122.637 120.570 0.204 0.000 2.499 178 I HA 0.398 4.566 4.170 -0.003 0.000 0.288 178 I C -0.728 175.667 176.117 0.463 0.000 1.048 178 I CA -0.541 60.939 61.300 0.299 0.000 1.062 178 I CB 2.142 40.275 38.000 0.221 0.000 1.238 178 I HN 0.656 8.866 8.210 -0.000 0.000 0.426 179 E N 6.214 126.656 120.200 0.404 0.000 2.210 179 E HA 0.336 4.684 4.350 -0.003 0.000 0.266 179 E C -1.105 175.648 176.600 0.254 0.000 0.883 179 E CA -0.893 55.694 56.400 0.311 0.000 0.761 179 E CB 1.993 31.851 29.700 0.263 0.000 1.156 179 E HN 0.443 8.803 8.360 -0.000 0.000 0.412 180 K N 4.488 124.988 120.400 0.167 0.000 2.234 180 K HA 0.221 4.539 4.320 -0.003 0.000 0.282 180 K C -0.701 175.831 176.600 -0.114 0.000 1.039 180 K CA -0.576 55.687 56.287 -0.039 0.000 0.928 180 K CB 0.524 33.029 32.500 0.009 0.000 1.039 180 K HN 0.335 8.585 8.250 -0.000 0.000 0.470 181 L N 0.000 121.082 121.223 -0.235 0.000 2.949 181 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 181 L CA 0.000 54.740 54.840 -0.167 0.000 0.813 181 L CB 0.000 41.953 42.059 -0.177 0.000 0.961 181 L HN 0.000 8.230 8.230 -0.000 0.000 0.502