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 1p88_1_A DATA FIRST_RESID 25 DATA SEQUENCE SNRALLLAAL AHGKTVLTNL LDSDDVRHML NALTALGVSY TLSADRTRCE DATA SEQUENCE IIGNGGPLHA EGALELFLGN AGTAMRPLAA ALCLGSNDIV LTGEPRMKER DATA SEQUENCE PIGHLVDALR LGGAKITYLE QENYPPLRLQ GGFTGGNVDV DGSVSSQFLT DATA SEQUENCE ALLMTAPLAP EDTVIRIKGD LVSKPYIDIT LNLMKTFGVE IENQHYQQFV DATA SEQUENCE VKGGQSYQSP GTYLVE 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 25 S HA 0.000 4.479 4.470 0.015 0.000 0.327 25 S C 0.000 174.598 174.600 -0.004 0.000 1.055 25 S CA 0.000 58.206 58.200 0.011 0.000 1.107 25 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 26 N N 1.390 120.075 118.700 -0.025 0.000 3.797 26 N HA -0.479 4.233 4.740 -0.048 0.000 0.211 26 N C 1.376 176.839 175.510 -0.078 0.000 0.241 26 N CA 3.076 56.102 53.050 -0.041 0.000 2.596 26 N CB -1.594 36.884 38.487 -0.015 0.000 1.344 26 N HN 0.292 8.656 8.380 -0.027 0.000 0.365 27 R N 1.684 122.141 120.500 -0.072 0.000 2.051 27 R HA -0.145 4.104 4.340 -0.152 0.000 0.225 27 R C 1.752 177.939 176.300 -0.188 0.000 1.155 27 R CA 2.845 58.868 56.100 -0.128 0.000 0.945 27 R CB 0.051 30.297 30.300 -0.090 0.000 0.840 27 R HN -0.070 8.160 8.270 -0.031 0.021 0.432 28 A N -0.306 122.441 122.820 -0.121 0.000 1.954 28 A HA -0.326 3.994 4.320 -0.000 0.000 0.222 28 A C 2.084 179.616 177.584 -0.088 0.000 1.199 28 A CA 3.061 55.054 52.037 -0.073 0.000 0.657 28 A CB -0.914 18.056 19.000 -0.049 0.000 0.823 28 A HN -0.090 8.011 8.150 -0.081 0.000 0.463 29 L N -3.719 117.433 121.223 -0.118 0.000 2.131 29 L HA -0.259 4.014 4.340 -0.112 0.000 0.206 29 L C 2.055 178.798 176.870 -0.213 0.000 1.087 29 L CA 2.029 56.780 54.840 -0.149 0.000 0.767 29 L CB -0.136 41.828 42.059 -0.159 0.000 0.917 29 L HN -0.232 7.922 8.230 -0.103 0.013 0.441 30 L N 0.317 121.402 121.223 -0.230 0.000 1.994 30 L HA -0.315 3.905 4.340 -0.200 0.000 0.208 30 L C 1.436 178.109 176.870 -0.329 0.000 1.071 30 L CA 3.326 58.024 54.840 -0.236 0.000 0.745 30 L CB -0.293 41.647 42.059 -0.198 0.000 0.892 30 L HN -0.270 7.751 8.230 -0.203 0.087 0.431 31 L N -3.733 117.133 121.223 -0.596 0.000 2.191 31 L HA -0.384 3.551 4.340 -0.675 0.000 0.212 31 L C 1.644 177.878 176.870 -1.059 0.000 1.103 31 L CA 2.656 56.803 54.840 -1.154 0.000 0.769 31 L CB -0.919 39.779 42.059 -2.268 0.000 0.908 31 L HN 0.351 8.138 8.230 -0.559 0.107 0.438 32 A N -1.871 120.597 122.820 -0.586 0.000 1.902 32 A HA -0.364 4.105 4.320 0.249 0.000 0.217 32 A C 1.338 178.886 177.584 -0.059 0.000 1.181 32 A CA 2.768 54.765 52.037 -0.066 0.000 0.623 32 A CB -0.671 18.352 19.000 0.038 0.000 0.818 32 A HN -0.562 7.151 8.150 -0.514 0.128 0.443 33 A N -1.754 120.988 122.820 -0.129 0.000 1.930 33 A HA -0.203 4.086 4.320 -0.052 0.000 0.215 33 A C 1.799 179.329 177.584 -0.090 0.000 1.176 33 A CA 2.481 54.461 52.037 -0.095 0.000 0.632 33 A CB -0.224 18.701 19.000 -0.125 0.000 0.819 33 A HN -0.441 7.498 8.150 -0.192 0.095 0.445 34 L N -4.059 117.116 121.223 -0.080 0.000 2.622 34 L HA -0.032 4.435 4.340 -0.098 -0.185 0.233 34 L C -0.522 176.390 176.870 0.070 0.000 1.156 34 L CA 0.237 55.069 54.840 -0.014 0.000 0.866 34 L CB -0.495 41.625 42.059 0.100 0.000 0.980 34 L HN -0.079 8.076 8.230 -0.126 0.000 0.448 35 A N -3.889 118.973 122.820 0.070 0.000 2.248 35 A HA 0.131 4.685 4.320 0.269 -0.073 0.316 35 A C -1.144 176.477 177.584 0.062 0.000 1.101 35 A CA -1.696 50.439 52.037 0.163 0.000 0.875 35 A CB 2.421 21.577 19.000 0.260 0.000 1.207 35 A HN -1.036 6.908 8.150 0.002 0.208 0.504 36 H N 0.721 119.873 119.070 0.137 0.000 2.638 36 H HA 0.241 4.844 4.556 0.077 0.000 0.303 36 H C -0.410 174.972 175.328 0.090 0.000 1.034 36 H CA -0.283 55.822 56.048 0.094 0.000 1.225 36 H CB 0.960 30.770 29.762 0.081 0.000 1.394 36 H HN 0.240 8.590 8.280 0.288 0.102 0.477 37 G N 4.336 113.280 108.800 0.240 0.000 2.381 37 G HA2 -0.219 3.823 3.960 0.137 0.000 0.672 37 G HA3 -0.219 3.824 3.960 0.139 0.000 0.672 37 G C -2.128 172.849 174.900 0.129 0.000 1.324 37 G CA -0.479 44.714 45.100 0.155 0.000 0.975 37 G HN -0.491 7.946 8.290 0.244 0.000 0.593 38 K N 2.486 122.946 120.400 0.101 0.000 2.262 38 K HA 0.341 4.900 4.320 0.106 -0.175 0.282 38 K C -0.969 175.684 176.600 0.089 0.000 1.066 38 K CA -0.838 55.505 56.287 0.095 0.000 0.901 38 K CB 1.329 33.876 32.500 0.078 0.000 1.089 38 K HN 0.249 8.552 8.250 0.088 0.000 0.476 39 T N 7.421 122.038 114.554 0.105 0.000 2.863 39 T HA 0.681 5.296 4.350 0.066 -0.225 0.285 39 T C -1.394 173.364 174.700 0.097 0.000 1.009 39 T CA -0.901 61.255 62.100 0.094 0.000 0.989 39 T CB 2.711 71.652 68.868 0.121 0.000 1.004 39 T HN -0.231 8.081 8.240 0.118 0.000 0.455 40 V N 5.882 125.844 119.914 0.081 0.000 2.472 40 V HA 0.325 4.671 4.120 0.089 -0.173 0.290 40 V C -1.791 174.367 176.094 0.106 0.000 1.037 40 V CA -1.416 60.935 62.300 0.085 0.000 0.908 40 V CB 1.462 33.323 31.823 0.064 0.000 0.985 40 V HN 1.258 9.357 8.190 0.066 0.129 0.454 41 L N 7.224 128.509 121.223 0.102 0.000 2.294 41 L HA 0.820 5.474 4.340 0.173 -0.210 0.283 41 L C -0.357 176.570 176.870 0.095 0.000 1.015 41 L CA -2.116 52.796 54.840 0.119 0.000 0.831 41 L CB -0.214 41.899 42.059 0.090 0.000 1.217 41 L HN 1.048 9.209 8.230 0.090 0.124 0.420 42 T N 5.587 120.200 114.554 0.097 0.000 2.902 42 T HA 0.397 4.779 4.350 0.054 0.000 0.283 42 T C -0.186 174.549 174.700 0.059 0.000 1.009 42 T CA -0.972 61.165 62.100 0.061 0.000 1.051 42 T CB 1.911 70.800 68.868 0.035 0.000 0.999 42 T HN 1.144 9.338 8.240 0.129 0.123 0.474 43 N N 2.370 121.095 118.700 0.042 0.000 2.782 43 N HA -0.356 4.401 4.740 0.028 0.000 0.251 43 N C -0.420 175.115 175.510 0.043 0.000 1.101 43 N CA 1.184 54.256 53.050 0.036 0.000 0.764 43 N CB -0.756 37.749 38.487 0.031 0.000 1.122 43 N HN 0.404 8.805 8.380 0.036 0.000 0.561 44 L N -3.680 117.571 121.223 0.046 0.000 2.356 44 L HA -0.258 4.112 4.340 0.049 0.000 0.241 44 L C -0.154 176.735 176.870 0.032 0.000 1.242 44 L CA 0.937 55.802 54.840 0.042 0.000 0.820 44 L CB 0.320 42.401 42.059 0.036 0.000 1.124 44 L HN 0.238 8.366 8.230 0.048 0.130 0.584 45 L N -1.864 119.375 121.223 0.026 0.000 2.307 45 L HA 0.113 4.467 4.340 0.022 0.000 0.284 45 L C -1.246 175.630 176.870 0.010 0.000 1.023 45 L CA -0.857 53.995 54.840 0.020 0.000 0.810 45 L CB 2.336 44.410 42.059 0.024 0.000 1.231 45 L HN -0.199 8.045 8.230 0.023 0.000 0.423 46 D N 7.586 127.991 120.400 0.008 0.000 2.483 46 D HA 0.056 4.695 4.640 -0.002 0.000 0.220 46 D C -1.149 175.145 176.300 -0.010 0.000 1.173 46 D CA -0.026 53.974 54.000 0.000 0.000 0.964 46 D CB -1.049 39.753 40.800 0.004 0.000 1.046 46 D HN 0.245 8.622 8.370 0.012 0.000 0.517 47 S N 3.005 118.690 115.700 -0.025 0.000 2.556 47 S HA 0.063 4.512 4.470 -0.036 0.000 0.280 47 S C -0.293 174.255 174.600 -0.087 0.000 1.141 47 S CA -0.291 57.886 58.200 -0.038 0.000 0.883 47 S CB 2.250 65.441 63.200 -0.015 0.000 1.103 47 S HN -0.677 7.615 8.310 -0.029 0.000 0.453 48 D N 3.462 123.784 120.400 -0.130 0.000 2.244 48 D HA -0.417 3.963 4.640 -0.435 0.000 0.197 48 D C 0.982 177.111 176.300 -0.284 0.000 1.006 48 D CA 3.657 57.471 54.000 -0.311 0.000 0.888 48 D CB -0.277 40.390 40.800 -0.221 0.000 0.912 48 D HN 0.664 8.981 8.370 -0.088 0.000 0.452 49 D N -2.501 117.850 120.400 -0.082 0.000 2.123 49 D HA -0.274 4.464 4.640 0.053 -0.067 0.196 49 D C 1.838 178.128 176.300 -0.018 0.000 0.992 49 D CA 2.735 56.731 54.000 -0.006 0.000 0.833 49 D CB -0.866 39.940 40.800 0.009 0.000 0.954 49 D HN 0.216 8.515 8.370 -0.056 0.037 0.455 50 V N 0.790 120.678 119.914 -0.044 0.000 2.379 50 V HA -0.255 3.849 4.120 -0.028 0.000 0.243 50 V C 1.656 177.721 176.094 -0.048 0.000 1.035 50 V CA 3.199 65.478 62.300 -0.036 0.000 1.035 50 V CB -0.212 31.598 31.823 -0.022 0.000 0.673 50 V HN 0.415 8.457 8.190 -0.053 0.117 0.457 51 R N 0.093 120.538 120.500 -0.092 0.000 2.133 51 R HA -0.427 3.908 4.340 -0.008 0.000 0.247 51 R C 2.386 178.679 176.300 -0.012 0.000 1.151 51 R CA 3.439 59.490 56.100 -0.081 0.000 0.971 51 R CB -0.483 29.715 30.300 -0.171 0.000 0.866 51 R HN -0.222 7.979 8.270 -0.116 0.000 0.447 52 H N -1.470 117.612 119.070 0.020 0.000 2.403 52 H HA 0.003 4.612 4.556 0.036 -0.032 0.298 52 H C 1.688 177.003 175.328 -0.023 0.000 1.059 52 H CA 1.826 57.885 56.048 0.019 0.000 1.363 52 H CB -0.196 29.586 29.762 0.032 0.000 1.410 52 H HN 0.175 8.337 8.280 -0.174 0.013 0.528 53 M N 1.592 121.232 119.600 0.066 0.000 2.195 53 M HA -0.328 4.136 4.480 -0.027 0.000 0.260 53 M C 1.686 177.916 176.300 -0.117 0.000 1.066 53 M CA 2.497 57.778 55.300 -0.033 0.000 1.089 53 M CB -0.930 31.635 32.600 -0.058 0.000 1.377 53 M HN -0.592 7.641 8.290 0.057 0.092 0.411 54 L N -2.472 118.683 121.223 -0.114 0.000 2.102 54 L HA -0.336 3.630 4.340 -0.624 0.000 0.202 54 L C 2.029 178.889 176.870 -0.017 0.000 1.076 54 L CA 3.121 57.798 54.840 -0.271 0.000 0.761 54 L CB -0.787 41.219 42.059 -0.088 0.000 0.921 54 L HN 0.445 8.521 8.230 -0.037 0.132 0.444 55 N N -0.214 118.563 118.700 0.128 0.000 2.149 55 N HA -0.320 4.553 4.740 0.221 0.000 0.188 55 N C 1.999 177.574 175.510 0.108 0.000 1.019 55 N CA 2.974 56.132 53.050 0.180 0.000 0.857 55 N CB -0.243 38.400 38.487 0.260 0.000 0.997 55 N HN 0.374 8.620 8.380 0.130 0.211 0.426 56 A N -0.203 122.650 122.820 0.055 0.000 1.877 56 A HA -0.237 4.092 4.320 0.015 0.000 0.216 56 A C 1.987 179.566 177.584 -0.007 0.000 1.186 56 A CA 3.354 55.395 52.037 0.008 0.000 0.620 56 A CB -0.661 18.326 19.000 -0.023 0.000 0.822 56 A HN 0.990 9.023 8.150 0.063 0.154 0.443 57 L N -2.658 118.534 121.223 -0.051 0.000 2.079 57 L HA -0.314 3.985 4.340 -0.069 0.000 0.210 57 L C 2.549 179.463 176.870 0.074 0.000 1.081 57 L CA 2.697 57.499 54.840 -0.064 0.000 0.752 57 L CB -1.340 40.577 42.059 -0.236 0.000 0.896 57 L HN -0.530 7.649 8.230 -0.085 0.000 0.433 58 T N 1.432 116.092 114.554 0.177 0.000 2.746 58 T HA -0.326 4.225 4.350 0.334 0.000 0.267 58 T C 1.812 176.585 174.700 0.123 0.000 1.039 58 T CA 4.554 66.805 62.100 0.251 0.000 1.142 58 T CB -0.337 68.701 68.868 0.283 0.000 0.866 58 T HN 0.292 8.392 8.240 0.126 0.215 0.444 59 A N 0.760 123.630 122.820 0.084 0.000 1.930 59 A HA -0.231 4.124 4.320 0.059 0.000 0.217 59 A C 1.624 179.235 177.584 0.045 0.000 1.175 59 A CA 2.672 54.743 52.037 0.056 0.000 0.627 59 A CB -0.382 18.643 19.000 0.042 0.000 0.815 59 A HN 0.108 8.109 8.150 0.083 0.199 0.443 60 L N -6.032 115.208 121.223 0.029 0.000 2.395 60 L HA -0.157 4.201 4.340 0.030 0.000 0.218 60 L C 0.790 177.675 176.870 0.026 0.000 1.130 60 L CA 0.779 55.627 54.840 0.013 0.000 0.826 60 L CB 0.169 42.204 42.059 -0.039 0.000 0.941 60 L HN -0.445 7.799 8.230 0.023 0.000 0.451 61 G N -3.268 105.559 108.800 0.045 0.000 2.226 61 G HA2 -0.338 3.666 3.960 0.073 0.000 0.176 61 G HA3 -0.338 3.668 3.960 0.076 0.000 0.176 61 G C -0.584 174.347 174.900 0.051 0.000 1.042 61 G CA -0.624 44.513 45.100 0.062 0.000 0.732 61 G HN -0.617 7.541 8.290 0.057 0.166 0.494 62 V N 0.776 120.736 119.914 0.076 0.000 2.432 62 V HA -0.025 4.120 4.120 0.042 0.000 0.275 62 V C -0.803 175.432 176.094 0.236 0.000 1.043 62 V CA -0.024 62.335 62.300 0.100 0.000 0.925 62 V CB 0.393 32.246 31.823 0.049 0.000 0.985 62 V HN 0.338 8.473 8.190 0.092 0.110 0.466 63 S N 7.370 123.170 115.700 0.167 0.000 2.513 63 S HA 0.156 4.669 4.470 0.072 0.000 0.276 63 S C -1.347 173.395 174.600 0.237 0.000 1.254 63 S CA 0.256 58.537 58.200 0.135 0.000 1.053 63 S CB 0.561 63.799 63.200 0.063 0.000 0.958 63 S HN 0.558 8.935 8.310 0.112 0.000 0.491 64 Y N 1.118 121.428 120.300 0.017 0.000 2.689 64 Y HA 0.665 5.303 4.550 0.025 -0.073 0.333 64 Y C -2.028 173.884 175.900 0.020 0.000 1.208 64 Y CA -1.871 56.242 58.100 0.020 0.000 1.055 64 Y CB 2.564 41.035 38.460 0.018 0.000 1.304 64 Y HN 0.058 8.183 8.280 -0.259 0.000 0.455 65 T N 1.915 116.526 114.554 0.094 0.000 2.900 65 T HA 0.284 4.556 4.350 -0.132 0.000 0.295 65 T C -2.244 172.524 174.700 0.114 0.000 1.044 65 T CA -0.425 61.678 62.100 0.006 0.000 0.995 65 T CB 3.636 72.507 68.868 0.006 0.000 1.072 65 T HN 0.916 9.170 8.240 0.230 0.124 0.473 66 L N 4.389 125.654 121.223 0.069 0.000 2.346 66 L HA 0.672 5.262 4.340 0.116 -0.181 0.276 66 L C -0.523 176.377 176.870 0.049 0.000 1.006 66 L CA -1.508 53.386 54.840 0.091 0.000 0.817 66 L CB 2.551 44.673 42.059 0.104 0.000 1.272 66 L HN 0.348 8.583 8.230 0.009 0.000 0.421 67 S N 4.347 120.076 115.700 0.049 0.000 2.592 67 S HA -0.015 4.472 4.470 0.028 0.000 0.247 67 S C 0.731 175.347 174.600 0.025 0.000 1.322 67 S CA 0.845 59.064 58.200 0.033 0.000 0.973 67 S CB 1.026 64.245 63.200 0.032 0.000 0.971 67 S HN 0.754 8.985 8.310 0.060 0.115 0.545 68 A N -0.292 122.539 122.820 0.020 0.000 2.014 68 A HA 0.066 4.394 4.320 0.014 0.000 0.210 68 A C 0.252 177.846 177.584 0.015 0.000 1.188 68 A CA 1.929 53.975 52.037 0.015 0.000 0.731 68 A CB -0.083 18.923 19.000 0.011 0.000 0.858 68 A HN 0.196 8.357 8.150 0.019 0.000 0.464 69 D N -1.948 118.462 120.400 0.017 0.000 2.349 69 D HA -0.046 4.602 4.640 0.013 0.000 0.224 69 D C -0.129 176.182 176.300 0.019 0.000 1.029 69 D CA 0.559 54.569 54.000 0.016 0.000 0.879 69 D CB -0.085 40.724 40.800 0.015 0.000 0.906 69 D HN -0.159 8.222 8.370 0.018 0.000 0.528 70 R N -6.184 114.330 120.500 0.024 0.000 3.863 70 R HA -0.354 4.008 4.340 0.036 0.000 0.313 70 R C -1.484 174.833 176.300 0.029 0.000 1.202 70 R CA 1.193 57.310 56.100 0.028 0.000 0.852 70 R CB -1.676 28.636 30.300 0.020 0.000 1.292 70 R HN 0.187 8.386 8.270 0.025 0.086 0.519 71 T N -8.881 105.692 114.554 0.031 0.000 2.975 71 T HA 0.039 4.407 4.350 0.031 0.000 0.261 71 T C -0.458 174.267 174.700 0.041 0.000 0.984 71 T CA -0.013 62.106 62.100 0.033 0.000 0.911 71 T CB 1.292 70.177 68.868 0.027 0.000 1.127 71 T HN -0.323 7.897 8.240 0.031 0.038 0.514 72 R N 2.638 123.165 120.500 0.045 0.000 2.310 72 R HA 0.803 5.454 4.340 0.055 -0.278 0.324 72 R C -2.340 174.002 176.300 0.070 0.000 0.955 72 R CA -0.777 55.355 56.100 0.053 0.000 0.830 72 R CB 2.472 32.798 30.300 0.043 0.000 1.154 72 R HN -0.214 8.081 8.270 0.042 0.000 0.458 73 C N 6.075 125.424 119.300 0.081 0.000 2.431 73 C HA 0.948 5.701 4.460 0.134 -0.213 0.321 73 C C -1.660 173.399 174.990 0.115 0.000 1.202 73 C CA -2.582 56.505 59.018 0.114 0.000 1.398 73 C CB 3.070 30.873 27.740 0.105 0.000 2.047 73 C HN 0.880 9.154 8.230 0.074 0.000 0.465 74 E N 9.980 130.265 120.200 0.141 0.000 2.171 74 E HA 0.873 5.533 4.350 0.111 -0.243 0.271 74 E C -1.781 174.928 176.600 0.182 0.000 0.916 74 E CA -2.039 54.439 56.400 0.129 0.000 0.774 74 E CB 3.381 33.139 29.700 0.096 0.000 1.128 74 E HN 0.872 9.223 8.360 0.159 0.105 0.403 75 I N 4.800 125.463 120.570 0.154 0.000 2.447 75 I HA 0.392 4.854 4.170 0.281 -0.124 0.287 75 I C -0.183 176.013 176.117 0.132 0.000 1.023 75 I CA -1.660 59.748 61.300 0.180 0.000 1.083 75 I CB 2.678 40.737 38.000 0.098 0.000 1.245 75 I HN 0.706 8.991 8.210 0.124 0.000 0.434 76 I N 5.839 126.487 120.570 0.129 0.000 2.573 76 I HA -0.046 4.186 4.170 0.103 0.000 0.295 76 I C 0.573 176.745 176.117 0.092 0.000 1.141 76 I CA -1.955 59.408 61.300 0.104 0.000 1.364 76 I CB -3.079 34.976 38.000 0.091 0.000 1.447 76 I HN 0.837 9.031 8.210 0.150 0.106 0.571 77 G N 6.727 115.584 108.800 0.096 0.000 2.341 77 G HA2 -0.335 3.775 3.960 0.036 0.000 0.231 77 G HA3 -0.335 3.800 3.960 0.094 -0.119 0.231 77 G C -0.117 174.787 174.900 0.006 0.000 1.206 77 G CA 0.605 45.742 45.100 0.061 0.000 0.865 77 G HN 0.803 9.024 8.290 0.112 0.136 0.515 78 N N 4.989 123.637 118.700 -0.088 0.000 2.373 78 N HA -0.131 4.564 4.740 -0.075 0.000 0.181 78 N C 0.403 175.713 175.510 -0.333 0.000 1.082 78 N CA -0.396 52.564 53.050 -0.150 0.000 0.885 78 N CB 1.279 39.652 38.487 -0.190 0.000 0.977 78 N HN 0.543 8.750 8.380 -0.087 0.121 0.462 79 G N -1.390 107.059 108.800 -0.585 0.000 2.141 79 G HA2 -0.298 2.669 3.960 -1.656 0.000 0.242 79 G HA3 -0.298 2.474 3.960 -1.980 0.000 0.242 79 G C -1.105 173.502 174.900 -0.488 0.000 0.982 79 G CA 0.451 44.772 45.100 -1.299 0.000 0.662 79 G HN 0.261 8.179 8.290 -0.354 0.159 0.527 80 G N -0.975 107.656 108.800 -0.281 0.000 2.332 80 G HA2 -0.088 3.844 3.960 -0.206 0.000 0.265 80 G HA3 -0.088 3.771 3.960 -0.169 0.000 0.265 80 G C -3.038 171.756 174.900 -0.177 0.000 1.329 80 G CA -0.389 44.593 45.100 -0.198 0.000 0.949 80 G HN -0.890 7.201 8.290 -0.261 0.042 0.476 81 P HA -0.076 4.259 4.420 -0.142 0.000 0.260 81 P C -1.143 176.055 177.300 -0.170 0.000 1.172 81 P CA -0.059 62.961 63.100 -0.134 0.000 0.760 81 P CB 0.140 31.790 31.700 -0.084 0.000 0.773 82 L N 2.613 123.725 121.223 -0.185 0.000 2.485 82 L HA -0.007 4.080 4.340 -0.422 0.000 0.279 82 L C -0.204 176.547 176.870 -0.197 0.000 1.124 82 L CA -0.965 53.717 54.840 -0.264 0.000 0.888 82 L CB -1.843 40.109 42.059 -0.179 0.000 1.217 82 L HN 0.125 8.264 8.230 -0.152 0.000 0.464 83 H N 0.197 119.251 119.070 -0.026 0.000 2.742 83 H HA 0.025 4.567 4.556 -0.023 0.000 0.302 83 H C -0.973 174.349 175.328 -0.010 0.000 1.069 83 H CA -1.864 54.173 56.048 -0.019 0.000 1.446 83 H CB 0.218 29.972 29.762 -0.014 0.000 1.462 83 H HN -0.232 7.421 8.280 -1.045 0.000 0.499 84 A N 4.571 127.468 122.820 0.128 0.000 2.309 84 A HA 0.070 4.444 4.320 0.090 0.000 0.290 84 A C -0.802 176.830 177.584 0.080 0.000 1.206 84 A CA -1.000 51.089 52.037 0.087 0.000 0.850 84 A CB 0.789 19.812 19.000 0.039 0.000 1.118 84 A HN 0.226 8.434 8.150 0.096 0.000 0.523 85 E N 4.738 124.983 120.200 0.076 0.000 2.351 85 E HA -0.142 4.223 4.350 0.026 0.000 0.266 85 E C 0.166 176.783 176.600 0.027 0.000 1.031 85 E CA 0.707 57.132 56.400 0.040 0.000 0.911 85 E CB 0.372 30.094 29.700 0.036 0.000 0.986 85 E HN 0.325 8.739 8.360 0.089 0.000 0.446 86 G N 2.676 111.485 108.800 0.015 0.000 2.806 86 G HA2 -0.313 3.651 3.960 0.006 0.000 0.236 86 G HA3 -0.313 3.654 3.960 0.011 0.000 0.236 86 G C -1.733 173.175 174.900 0.014 0.000 1.387 86 G CA -0.770 44.337 45.100 0.011 0.000 0.884 86 G HN -0.098 8.198 8.290 0.010 0.000 0.560 87 A N -0.459 122.368 122.820 0.010 0.000 2.340 87 A HA 0.367 4.840 4.320 0.008 -0.149 0.268 87 A C -0.881 176.711 177.584 0.013 0.000 1.100 87 A CA -0.369 51.673 52.037 0.009 0.000 0.803 87 A CB 1.339 20.341 19.000 0.004 0.000 1.043 87 A HN 0.077 8.232 8.150 0.009 0.000 0.488 88 L N 2.136 123.365 121.223 0.010 0.000 2.313 88 L HA 0.400 4.753 4.340 0.021 0.000 0.268 88 L C -1.343 175.533 176.870 0.011 0.000 1.010 88 L CA -1.213 53.636 54.840 0.014 0.000 0.814 88 L CB 4.081 46.146 42.059 0.011 0.000 1.304 88 L HN 1.036 9.141 8.230 0.005 0.128 0.441 89 E N 1.072 121.287 120.200 0.025 0.000 2.373 89 E HA 0.288 4.814 4.350 -0.001 -0.176 0.251 89 E C -1.492 175.140 176.600 0.054 0.000 0.923 89 E CA -0.963 55.458 56.400 0.035 0.000 0.798 89 E CB 1.130 30.878 29.700 0.080 0.000 1.303 89 E HN 0.175 8.554 8.360 0.032 0.000 0.412 90 L N 3.664 124.882 121.223 -0.009 0.000 2.275 90 L HA 0.311 4.659 4.340 0.013 0.000 0.288 90 L C -1.434 175.388 176.870 -0.080 0.000 1.046 90 L CA -1.744 53.081 54.840 -0.024 0.000 0.805 90 L CB 1.391 43.419 42.059 -0.053 0.000 1.193 90 L HN 0.960 9.060 8.230 -0.044 0.104 0.426 91 F N 5.152 124.961 119.950 -0.236 0.000 2.334 91 F HA 0.217 4.722 4.527 -0.148 -0.067 0.365 91 F C 0.060 175.634 175.800 -0.376 0.000 1.124 91 F CA -0.318 57.526 58.000 -0.260 0.000 1.166 91 F CB 0.241 39.091 39.000 -0.249 0.000 1.355 91 F HN 0.534 8.850 8.300 0.026 0.000 0.532 92 L N 5.069 126.219 121.223 -0.123 0.000 3.029 92 L HA 0.395 4.801 4.340 0.111 0.000 0.231 92 L C 0.270 177.180 176.870 0.066 0.000 1.327 92 L CA -2.644 52.201 54.840 0.009 0.000 1.166 92 L CB -3.288 38.758 42.059 -0.021 0.000 1.532 92 L HN 0.683 8.715 8.230 -0.198 0.079 0.473 93 G N 1.881 110.767 108.800 0.143 0.000 2.552 93 G HA2 -0.297 3.737 3.960 0.078 0.000 0.216 93 G HA3 -0.297 3.810 3.960 0.199 -0.027 0.216 93 G C 0.419 175.390 174.900 0.119 0.000 1.240 93 G CA 1.776 46.959 45.100 0.140 0.000 0.796 93 G HN -0.702 7.631 8.290 0.189 0.071 0.568 94 N N 0.847 119.638 118.700 0.151 0.000 2.521 94 N HA -0.195 4.588 4.740 0.072 0.000 0.188 94 N C 0.374 175.929 175.510 0.076 0.000 1.146 94 N CA 0.766 53.872 53.050 0.093 0.000 0.893 94 N CB -0.440 38.090 38.487 0.071 0.000 0.975 94 N HN 0.122 8.632 8.380 0.218 0.000 0.451 95 A N -1.212 121.670 122.820 0.104 0.000 3.105 95 A HA 0.201 4.548 4.320 0.044 0.000 0.272 95 A C -0.067 177.528 177.584 0.018 0.000 1.466 95 A CA -1.256 50.820 52.037 0.065 0.000 1.101 95 A CB -1.668 17.396 19.000 0.106 0.000 1.065 95 A HN -0.133 7.909 8.150 0.152 0.198 0.643 96 G N -0.891 107.917 108.800 0.013 0.000 2.485 96 G HA2 -0.349 3.603 3.960 -0.013 0.000 0.221 96 G HA3 -0.349 3.613 3.960 0.003 0.000 0.221 96 G C 0.653 175.532 174.900 -0.035 0.000 1.115 96 G CA 2.521 47.617 45.100 -0.007 0.000 0.751 96 G HN -0.352 7.859 8.290 0.027 0.094 0.567 97 T N -4.144 110.388 114.554 -0.037 0.000 3.081 97 T HA 0.004 4.436 4.350 -0.091 -0.137 0.255 97 T C -0.144 174.512 174.700 -0.074 0.000 1.113 97 T CA 0.684 62.743 62.100 -0.067 0.000 1.082 97 T CB 0.150 68.985 68.868 -0.055 0.000 0.939 97 T HN -0.179 8.013 8.240 -0.017 0.038 0.506 98 A N -0.126 122.662 122.820 -0.055 0.000 1.956 98 A HA 0.001 4.276 4.320 -0.074 0.000 0.212 98 A C 1.007 178.537 177.584 -0.091 0.000 1.188 98 A CA 1.556 53.556 52.037 -0.062 0.000 0.675 98 A CB 0.831 19.817 19.000 -0.022 0.000 0.845 98 A HN 0.005 7.932 8.150 -0.033 0.202 0.455 99 M N -0.476 119.068 119.600 -0.092 0.000 2.080 99 M HA -0.420 3.992 4.480 -0.113 0.000 0.260 99 M C 1.489 177.677 176.300 -0.188 0.000 1.068 99 M CA 3.902 59.127 55.300 -0.125 0.000 1.109 99 M CB 0.002 32.533 32.600 -0.115 0.000 1.342 99 M HN 0.372 8.621 8.290 -0.068 0.000 0.405 100 R N -1.024 119.333 120.500 -0.239 0.000 2.103 100 R HA -0.244 3.803 4.340 -0.489 0.000 0.234 100 R C -0.573 175.565 176.300 -0.270 0.000 1.132 100 R CA 5.853 61.734 56.100 -0.365 0.000 0.925 100 R CB -2.885 27.176 30.300 -0.399 0.000 0.842 100 R HN -0.270 7.882 8.270 -0.197 0.000 0.430 101 P HA -0.161 4.154 4.420 -0.175 0.000 0.218 101 P C 1.250 178.453 177.300 -0.163 0.000 1.149 101 P CA 2.841 65.839 63.100 -0.170 0.000 0.817 101 P CB -0.280 31.337 31.700 -0.140 0.000 0.785 102 L N -1.391 119.742 121.223 -0.150 0.000 2.023 102 L HA -0.283 3.979 4.340 -0.129 0.000 0.205 102 L C 1.832 178.619 176.870 -0.138 0.000 1.073 102 L CA 2.823 57.583 54.840 -0.133 0.000 0.745 102 L CB -0.543 41.450 42.059 -0.111 0.000 0.900 102 L HN 0.237 8.267 8.230 -0.149 0.111 0.435 103 A N -1.631 121.098 122.820 -0.151 0.000 2.042 103 A HA -0.450 3.800 4.320 -0.117 0.000 0.222 103 A C 1.120 178.618 177.584 -0.143 0.000 1.167 103 A CA 3.066 55.017 52.037 -0.142 0.000 0.649 103 A CB -0.884 18.017 19.000 -0.166 0.000 0.809 103 A HN 0.776 8.711 8.150 -0.162 0.118 0.457 104 A N -2.530 120.183 122.820 -0.178 0.000 1.871 104 A HA -0.240 3.968 4.320 -0.188 0.000 0.211 104 A C 2.059 179.506 177.584 -0.229 0.000 1.207 104 A CA 1.928 53.838 52.037 -0.211 0.000 0.620 104 A CB -0.251 18.604 19.000 -0.242 0.000 0.860 104 A HN -0.543 7.360 8.150 -0.189 0.133 0.450 105 A N 0.189 122.890 122.820 -0.198 0.000 1.940 105 A HA -0.162 4.027 4.320 -0.220 0.000 0.219 105 A C 2.175 179.669 177.584 -0.150 0.000 1.176 105 A CA 2.610 54.537 52.037 -0.183 0.000 0.631 105 A CB -0.208 18.702 19.000 -0.151 0.000 0.814 105 A HN 0.084 8.011 8.150 -0.184 0.113 0.446 106 L N -6.355 114.794 121.223 -0.124 0.000 2.478 106 L HA -0.079 4.209 4.340 -0.088 0.000 0.223 106 L C 0.264 177.095 176.870 -0.066 0.000 1.140 106 L CA 0.953 55.740 54.840 -0.090 0.000 0.842 106 L CB -0.151 41.861 42.059 -0.079 0.000 0.953 106 L HN 0.164 8.298 8.230 -0.129 0.019 0.452 107 C N -2.002 117.256 119.300 -0.071 0.000 2.480 107 C HA 0.013 4.552 4.460 -0.005 -0.082 0.317 107 C C -0.161 174.848 174.990 0.032 0.000 1.300 107 C CA 0.728 59.740 59.018 -0.011 0.000 1.706 107 C CB -0.601 27.150 27.740 0.020 0.000 1.840 107 C HN -0.485 7.505 8.230 -0.108 0.175 0.596 108 L N 1.203 122.410 121.223 -0.027 0.000 2.121 108 L HA -0.102 4.263 4.340 0.041 0.000 0.200 108 L C 1.996 178.878 176.870 0.020 0.000 1.132 108 L CA 3.138 57.971 54.840 -0.012 0.000 0.782 108 L CB -0.080 41.923 42.059 -0.093 0.000 0.940 108 L HN -0.773 7.302 8.230 -0.060 0.119 0.458 109 G N -2.882 105.916 108.800 -0.003 0.000 2.751 109 G HA2 -0.121 3.848 3.960 0.015 0.000 0.187 109 G HA3 -0.121 3.848 3.960 0.015 0.000 0.187 109 G C -2.175 172.735 174.900 0.017 0.000 1.733 109 G CA 0.552 45.659 45.100 0.012 0.000 0.898 109 G HN 0.218 8.493 8.290 -0.025 0.000 0.408 110 S N 0.815 116.526 115.700 0.019 0.000 2.446 110 S HA 0.133 4.778 4.470 0.009 -0.170 0.230 110 S C -1.847 172.764 174.600 0.018 0.000 1.051 110 S CA -0.372 57.836 58.200 0.014 0.000 1.113 110 S CB 1.156 64.362 63.200 0.010 0.000 1.184 110 S HN -0.222 8.106 8.310 0.029 0.000 0.435 111 N N 2.385 121.091 118.700 0.010 0.000 2.264 111 N HA 0.274 5.025 4.740 0.019 0.000 0.288 111 N C -1.524 173.984 175.510 -0.003 0.000 1.094 111 N CA -0.542 52.514 53.050 0.011 0.000 0.817 111 N CB 3.057 41.553 38.487 0.014 0.000 1.604 111 N HN -0.129 8.254 8.380 0.002 -0.002 0.473 112 D N 2.712 123.111 120.400 -0.001 0.000 2.456 112 D HA 0.685 5.613 4.640 -0.015 -0.297 0.219 112 D C -1.004 175.290 176.300 -0.010 0.000 1.126 112 D CA 0.534 54.529 54.000 -0.009 0.000 0.890 112 D CB 0.471 41.268 40.800 -0.006 0.000 1.025 112 D HN 0.278 8.652 8.370 0.006 0.000 0.511 113 I N 4.010 124.568 120.570 -0.021 0.000 2.569 113 I HA 0.520 4.789 4.170 -0.015 -0.109 0.296 113 I C -1.307 174.788 176.117 -0.036 0.000 1.028 113 I CA -2.151 59.134 61.300 -0.025 0.000 1.082 113 I CB 4.533 42.513 38.000 -0.034 0.000 1.264 113 I HN 0.753 8.822 8.210 -0.026 0.126 0.429 114 V N 6.548 126.440 119.914 -0.037 0.000 2.334 114 V HA 0.782 5.126 4.120 -0.055 -0.257 0.281 114 V C -1.007 175.030 176.094 -0.094 0.000 1.016 114 V CA -1.442 60.825 62.300 -0.055 0.000 0.832 114 V CB 1.288 33.088 31.823 -0.038 0.000 0.999 114 V HN 0.938 8.982 8.190 -0.026 0.130 0.439 115 L N 9.612 130.766 121.223 -0.115 0.000 2.264 115 L HA 0.739 5.192 4.340 -0.164 -0.211 0.287 115 L C -0.042 176.683 176.870 -0.242 0.000 1.039 115 L CA -0.917 53.827 54.840 -0.159 0.000 0.829 115 L CB -0.366 41.618 42.059 -0.124 0.000 1.211 115 L HN 0.573 8.644 8.230 -0.093 0.103 0.427 116 T N 3.820 118.105 114.554 -0.448 0.000 2.804 116 T HA 0.346 4.455 4.350 -0.401 0.000 0.272 116 T C -0.790 173.481 174.700 -0.716 0.000 0.986 116 T CA -2.053 59.640 62.100 -0.678 0.000 0.999 116 T CB 2.363 70.555 68.868 -1.126 0.000 1.307 116 T HN 0.950 8.793 8.240 -0.472 0.113 0.586 117 G N -2.269 106.139 108.800 -0.652 0.000 2.561 117 G HA2 0.122 4.115 3.960 -0.027 0.000 0.310 117 G HA3 0.122 4.035 3.960 -0.078 0.000 0.310 117 G C -2.449 172.527 174.900 0.126 0.000 1.292 117 G CA -0.545 44.459 45.100 -0.161 0.000 0.811 117 G HN -0.145 7.762 8.290 -0.640 0.000 0.482 118 E N -0.712 119.596 120.200 0.181 0.000 2.312 118 E HA 0.260 4.752 4.350 0.237 0.000 0.259 118 E C -0.406 176.261 176.600 0.112 0.000 1.122 118 E CA -2.454 54.053 56.400 0.178 0.000 0.922 118 E CB 0.112 29.901 29.700 0.148 0.000 1.109 118 E HN 0.065 8.515 8.360 0.150 0.000 0.442 119 P HA -0.259 4.205 4.420 0.073 0.000 0.218 119 P C 1.267 178.610 177.300 0.070 0.000 1.152 119 P CA 2.758 65.902 63.100 0.075 0.000 0.857 119 P CB 0.036 31.772 31.700 0.060 0.000 0.787 120 R N -4.100 116.439 120.500 0.066 0.000 2.148 120 R HA -0.224 4.146 4.340 0.051 0.000 0.227 120 R C 2.560 178.892 176.300 0.053 0.000 1.103 120 R CA 2.658 58.792 56.100 0.055 0.000 0.983 120 R CB -0.706 29.624 30.300 0.050 0.000 0.874 120 R HN 0.104 8.396 8.270 0.070 0.020 0.451 121 M N 0.608 120.243 119.600 0.058 0.000 2.213 121 M HA -0.196 4.303 4.480 0.032 0.000 0.263 121 M C 1.288 177.620 176.300 0.053 0.000 1.062 121 M CA 1.413 56.738 55.300 0.042 0.000 1.105 121 M CB -0.578 32.038 32.600 0.027 0.000 1.385 121 M HN 0.554 8.715 8.290 0.069 0.170 0.417 122 K N -2.904 117.556 120.400 0.099 0.000 2.360 122 K HA -0.243 4.256 4.320 0.298 0.000 0.201 122 K C 1.195 177.863 176.600 0.114 0.000 1.046 122 K CA 2.476 58.885 56.287 0.204 0.000 0.945 122 K CB -0.498 32.137 32.500 0.225 0.000 0.750 122 K HN -0.564 7.607 8.250 0.090 0.134 0.464 123 E N -3.382 116.847 120.200 0.050 0.000 2.489 123 E HA -0.079 4.272 4.350 0.002 0.000 0.193 123 E C 0.196 176.771 176.600 -0.041 0.000 1.057 123 E CA 0.525 56.928 56.400 0.005 0.000 0.866 123 E CB 0.354 30.066 29.700 0.020 0.000 0.916 123 E HN -0.501 7.699 8.360 0.055 0.193 0.500 124 R N -0.579 119.890 120.500 -0.051 0.000 2.494 124 R HA 0.400 4.719 4.340 -0.035 0.000 0.284 124 R C -2.725 173.525 176.300 -0.082 0.000 1.525 124 R CA -3.123 52.954 56.100 -0.039 0.000 1.460 124 R CB 0.494 30.799 30.300 0.008 0.000 1.134 124 R HN -0.163 7.872 8.270 -0.032 0.215 0.592 125 P HA -0.036 4.199 4.420 -0.455 -0.088 0.267 125 P C -1.115 176.191 177.300 0.010 0.000 1.200 125 P CA 0.138 63.068 63.100 -0.284 0.000 0.772 125 P CB 0.872 32.333 31.700 -0.399 0.000 0.855 126 I N 0.601 121.165 120.570 -0.011 0.000 4.102 126 I HA 0.326 4.640 4.170 0.241 0.000 0.325 126 I C 0.223 176.429 176.117 0.147 0.000 1.471 126 I CA -1.753 59.597 61.300 0.083 0.000 1.133 126 I CB 0.942 38.910 38.000 -0.054 0.000 1.184 126 I HN 0.659 8.651 8.210 -0.117 0.148 0.451 127 G N 1.390 110.218 108.800 0.046 0.000 2.442 127 G HA2 -0.335 3.842 3.960 0.362 0.000 0.219 127 G HA3 -0.335 3.547 3.960 -0.129 0.000 0.219 127 G C 0.923 175.943 174.900 0.200 0.000 1.141 127 G CA 2.702 47.858 45.100 0.094 0.000 0.763 127 G HN -0.416 7.751 8.290 -0.102 0.062 0.554 128 H N 0.375 119.604 119.070 0.265 0.000 2.387 128 H HA -0.234 4.410 4.556 0.146 0.000 0.299 128 H C 1.904 177.436 175.328 0.341 0.000 1.099 128 H CA 2.958 59.157 56.048 0.253 0.000 1.315 128 H CB -0.398 29.419 29.762 0.092 0.000 1.380 128 H HN 0.046 8.354 8.280 0.047 0.000 0.513 129 L N -0.676 120.856 121.223 0.516 0.000 2.095 129 L HA -0.150 4.327 4.340 0.228 0.000 0.204 129 L C 1.503 178.425 176.870 0.087 0.000 1.080 129 L CA 2.294 57.218 54.840 0.139 0.000 0.759 129 L CB -0.249 41.553 42.059 -0.429 0.000 0.914 129 L HN -0.764 7.740 8.230 0.633 0.106 0.439 130 V N 1.122 121.099 119.914 0.106 0.000 2.287 130 V HA -0.615 3.509 4.120 0.007 0.000 0.248 130 V C 2.090 178.228 176.094 0.075 0.000 1.053 130 V CA 5.465 67.806 62.300 0.068 0.000 1.027 130 V CB -0.793 31.096 31.823 0.110 0.000 0.646 130 V HN 0.138 8.416 8.190 0.147 0.000 0.447 131 D N -0.921 119.565 120.400 0.144 0.000 2.117 131 D HA -0.317 4.366 4.640 0.072 0.000 0.198 131 D C 2.077 178.440 176.300 0.105 0.000 0.982 131 D CA 3.563 57.634 54.000 0.118 0.000 0.828 131 D CB -0.713 40.182 40.800 0.158 0.000 0.967 131 D HN 0.068 8.563 8.370 0.210 0.000 0.464 132 A N -0.217 122.684 122.820 0.135 0.000 1.908 132 A HA -0.277 4.105 4.320 0.105 0.000 0.218 132 A C 2.149 179.829 177.584 0.161 0.000 1.181 132 A CA 2.925 55.038 52.037 0.127 0.000 0.627 132 A CB -0.296 18.783 19.000 0.131 0.000 0.818 132 A HN -0.629 7.622 8.150 0.169 0.000 0.445 133 L N -3.050 118.276 121.223 0.172 0.000 2.049 133 L HA -0.393 4.312 4.340 0.607 0.000 0.203 133 L C 2.260 179.250 176.870 0.200 0.000 1.074 133 L CA 2.955 57.980 54.840 0.307 0.000 0.749 133 L CB -0.317 41.847 42.059 0.174 0.000 0.907 133 L HN 0.209 8.509 8.230 0.123 0.004 0.439 134 R N -1.066 119.481 120.500 0.078 0.000 2.159 134 R HA -0.249 4.281 4.340 0.000 -0.190 0.237 134 R C 3.273 179.551 176.300 -0.037 0.000 1.131 134 R CA 2.610 58.711 56.100 0.002 0.000 0.982 134 R CB -0.627 29.651 30.300 -0.037 0.000 0.868 134 R HN 0.555 8.742 8.270 0.069 0.125 0.453 135 L N -1.391 119.822 121.223 -0.016 0.000 2.141 135 L HA -0.159 4.153 4.340 -0.047 0.000 0.209 135 L C 0.701 177.481 176.870 -0.151 0.000 1.094 135 L CA 2.252 57.063 54.840 -0.049 0.000 0.763 135 L CB 0.023 42.080 42.059 -0.003 0.000 0.908 135 L HN 0.124 8.150 8.230 0.032 0.223 0.437 136 G N -5.991 102.642 108.800 -0.277 0.000 3.124 136 G HA2 0.041 3.856 3.960 -0.481 0.000 0.212 136 G HA3 0.041 3.198 3.960 -1.338 0.000 0.212 136 G C -0.521 173.938 174.900 -0.734 0.000 1.181 136 G CA -0.165 44.508 45.100 -0.711 0.000 0.803 136 G HN -0.156 7.901 8.290 -0.145 0.146 0.529 137 G N -1.965 106.616 108.800 -0.364 0.000 2.159 137 G HA2 -0.436 3.429 3.960 -0.159 0.000 0.227 137 G HA3 -0.436 3.366 3.960 -0.264 0.000 0.227 137 G C -1.368 173.446 174.900 -0.142 0.000 0.986 137 G CA -0.335 44.623 45.100 -0.236 0.000 0.651 137 G HN -0.434 7.496 8.290 -0.250 0.209 0.523 138 A N -0.150 122.619 122.820 -0.086 0.000 2.371 138 A HA 0.014 4.377 4.320 0.088 0.009 0.257 138 A C -0.457 177.128 177.584 0.002 0.000 1.089 138 A CA -0.428 51.648 52.037 0.065 0.000 0.794 138 A CB 0.970 20.120 19.000 0.249 0.000 1.029 138 A HN -0.585 7.427 8.150 -0.146 0.051 0.488 139 K N 2.676 123.075 120.400 -0.002 0.000 2.268 139 K HA 0.186 4.477 4.320 -0.049 0.000 0.276 139 K C -1.861 174.704 176.600 -0.058 0.000 1.080 139 K CA -0.219 56.047 56.287 -0.036 0.000 0.910 139 K CB 0.102 32.584 32.500 -0.030 0.000 1.163 139 K HN -0.181 8.081 8.250 0.020 0.000 0.465 140 I N 5.616 126.125 120.570 -0.102 0.000 2.571 140 I HA 0.506 4.796 4.170 -0.125 -0.195 0.289 140 I C -1.373 174.584 176.117 -0.266 0.000 1.115 140 I CA -1.093 60.111 61.300 -0.160 0.000 1.045 140 I CB 4.025 41.928 38.000 -0.162 0.000 1.238 140 I HN 0.165 8.311 8.210 -0.107 0.000 0.424 141 T N 7.257 121.665 114.554 -0.243 0.000 2.841 141 T HA 0.387 4.517 4.350 -0.367 0.000 0.283 141 T C -1.512 173.055 174.700 -0.221 0.000 1.000 141 T CA -1.842 60.101 62.100 -0.262 0.000 0.977 141 T CB 2.818 71.615 68.868 -0.118 0.000 0.979 141 T HN 0.065 8.204 8.240 -0.169 0.000 0.446 142 Y N 6.392 126.689 120.300 -0.005 0.000 2.335 142 Y HA -0.105 4.443 4.550 -0.003 0.000 0.331 142 Y C -0.273 175.621 175.900 -0.010 0.000 1.094 142 Y CA 0.660 58.759 58.100 -0.001 0.000 1.253 142 Y CB -0.344 38.124 38.460 0.014 0.000 1.203 142 Y HN 0.428 8.552 8.280 -0.260 0.000 0.508 143 L N 4.240 125.552 121.223 0.148 0.000 2.140 143 L HA -0.139 4.229 4.340 0.048 0.000 0.201 143 L C 1.297 178.189 176.870 0.038 0.000 1.191 143 L CA -0.275 54.602 54.840 0.061 0.000 0.825 143 L CB -0.273 41.800 42.059 0.022 0.000 0.970 143 L HN 0.396 8.730 8.230 0.174 0.000 0.477 144 E N -1.558 118.646 120.200 0.007 0.000 1.997 144 E HA -0.188 4.136 4.350 -0.043 0.000 0.196 144 E C -0.325 176.224 176.600 -0.085 0.000 0.990 144 E CA 1.529 57.900 56.400 -0.049 0.000 0.845 144 E CB 0.271 29.922 29.700 -0.083 0.000 0.795 144 E HN 0.074 8.441 8.360 0.012 0.000 0.479 145 Q N -1.524 118.184 119.800 -0.153 0.000 2.257 145 Q HA 0.076 4.316 4.340 -0.167 0.000 0.262 145 Q C -0.544 175.427 176.000 -0.048 0.000 0.997 145 Q CA -0.988 54.685 55.803 -0.216 0.000 0.873 145 Q CB 2.195 30.462 28.738 -0.785 0.000 1.312 145 Q HN -0.190 7.999 8.270 -0.135 0.000 0.450 146 E N 2.588 122.718 120.200 -0.117 0.000 2.376 146 E HA -0.163 3.675 4.350 -0.853 0.000 0.266 146 E C -0.904 175.363 176.600 -0.554 0.000 1.009 146 E CA 1.688 57.778 56.400 -0.518 0.000 0.902 146 E CB 0.279 29.773 29.700 -0.343 0.000 0.972 146 E HN 0.316 8.622 8.360 -0.090 0.000 0.439 147 N N -3.958 114.017 118.700 -1.208 0.000 2.850 147 N HA -0.296 4.249 4.740 -0.440 -0.069 0.249 147 N C -1.152 174.179 175.510 -0.299 0.000 1.060 147 N CA 1.744 54.451 53.050 -0.572 0.000 0.825 147 N CB -1.509 36.707 38.487 -0.451 0.000 1.132 147 N HN 0.387 7.111 8.380 -2.759 0.000 0.564 148 Y N -0.904 119.261 120.300 -0.226 0.000 2.568 148 Y HA 0.119 4.615 4.550 -0.091 0.000 0.327 148 Y C -1.805 174.065 175.900 -0.050 0.000 1.163 148 Y CA -0.952 57.084 58.100 -0.106 0.000 1.219 148 Y CB 0.611 39.009 38.460 -0.103 0.000 1.308 148 Y HN -0.890 7.323 8.280 -0.040 0.044 0.503 149 P HA -0.165 4.239 4.420 -0.026 0.000 0.218 149 P C -2.651 174.636 177.300 -0.021 0.000 1.165 149 P CA 1.822 64.927 63.100 0.009 0.000 0.922 149 P CB -1.070 30.628 31.700 -0.003 0.000 0.794 150 P HA -0.093 4.361 4.420 -0.120 -0.106 0.266 150 P C -0.863 176.452 177.300 0.026 0.000 1.195 150 P CA 0.310 63.385 63.100 -0.043 0.000 0.768 150 P CB 0.558 32.241 31.700 -0.029 0.000 0.838 151 L N 0.230 121.444 121.223 -0.016 0.000 2.565 151 L HA 0.289 4.794 4.340 0.035 -0.145 0.261 151 L C -1.622 175.224 176.870 -0.041 0.000 0.932 151 L CA -0.789 54.046 54.840 -0.008 0.000 0.878 151 L CB 4.634 46.678 42.059 -0.026 0.000 1.333 151 L HN 0.163 8.357 8.230 -0.060 0.000 0.409 152 R N 3.195 123.666 120.500 -0.048 0.000 2.239 152 R HA 0.559 5.086 4.340 -0.042 -0.212 0.332 152 R C -0.874 175.390 176.300 -0.060 0.000 0.988 152 R CA -1.243 54.828 56.100 -0.048 0.000 0.859 152 R CB 1.231 31.506 30.300 -0.040 0.000 1.148 152 R HN 0.527 8.762 8.270 -0.058 0.000 0.482 153 L N 4.135 125.327 121.223 -0.051 0.000 2.334 153 L HA 0.586 5.077 4.340 -0.056 -0.184 0.277 153 L C -0.471 176.379 176.870 -0.034 0.000 1.075 153 L CA -0.869 53.942 54.840 -0.048 0.000 0.804 153 L CB 1.323 43.352 42.059 -0.051 0.000 1.174 153 L HN 1.190 9.261 8.230 -0.047 0.131 0.438 154 Q N -1.443 118.340 119.800 -0.029 0.000 2.013 154 Q HA 0.421 4.885 4.340 -0.015 -0.133 0.233 154 Q C 0.066 176.061 176.000 -0.008 0.000 0.834 154 Q CA -0.957 54.835 55.803 -0.018 0.000 1.040 154 Q CB 1.934 30.658 28.738 -0.022 0.000 1.248 154 Q HN 0.127 8.379 8.270 -0.030 0.000 0.425 155 G N -0.738 108.060 108.800 -0.004 0.000 2.914 155 G HA2 -0.440 3.511 3.960 0.019 0.000 0.254 155 G HA3 -0.440 3.664 3.960 0.011 -0.137 0.254 155 G C -0.238 174.677 174.900 0.024 0.000 1.449 155 G CA 0.399 45.507 45.100 0.014 0.000 0.925 155 G HN -0.234 8.049 8.290 -0.012 0.000 0.555 156 G N -2.745 106.083 108.800 0.046 0.000 2.367 156 G HA2 -0.308 3.662 3.960 0.017 0.000 0.181 156 G HA3 -0.308 3.657 3.960 0.009 0.000 0.181 156 G C -0.737 174.193 174.900 0.051 0.000 1.000 156 G CA -0.514 44.604 45.100 0.030 0.000 0.693 156 G HN -0.379 7.833 8.290 0.058 0.113 0.480 157 F N 3.670 123.593 119.950 -0.045 0.000 2.590 157 F HA -0.172 4.420 4.527 -0.040 -0.089 0.389 157 F C -0.329 175.447 175.800 -0.040 0.000 1.049 157 F CA 0.982 58.955 58.000 -0.044 0.000 1.199 157 F CB 0.994 39.963 39.000 -0.052 0.000 1.058 157 F HN -0.108 8.216 8.300 0.218 0.107 0.556 158 T N 3.843 118.230 114.554 -0.279 0.000 3.019 158 T HA 0.241 4.614 4.350 0.038 0.000 0.247 158 T C -0.200 174.399 174.700 -0.168 0.000 0.992 158 T CA -0.359 61.670 62.100 -0.118 0.000 1.036 158 T CB 2.290 71.088 68.868 -0.117 0.000 1.063 158 T HN 0.889 8.657 8.240 -0.612 0.104 0.476 159 G N 0.521 109.013 108.800 -0.515 0.000 2.357 159 G HA2 -0.116 3.677 3.960 -0.278 0.000 0.289 159 G HA3 -0.116 3.889 3.960 -0.095 -0.102 0.289 159 G C -2.171 172.556 174.900 -0.288 0.000 1.302 159 G CA 0.046 44.959 45.100 -0.311 0.000 0.936 159 G HN -0.139 7.567 8.290 -0.794 0.107 0.513 160 G N -2.681 106.047 108.800 -0.120 0.000 2.539 160 G HA2 -0.307 3.624 3.960 -0.048 0.000 0.686 160 G HA3 -0.307 3.581 3.960 -0.120 0.000 0.686 160 G C -1.712 173.165 174.900 -0.038 0.000 1.258 160 G CA -0.814 44.236 45.100 -0.084 0.000 0.846 160 G HN -0.045 8.110 8.290 -0.045 0.108 0.647 161 N N 1.307 120.001 118.700 -0.010 0.000 2.294 161 N HA -0.269 4.639 4.740 0.040 -0.143 0.263 161 N C -0.287 175.234 175.510 0.018 0.000 1.281 161 N CA 1.579 54.640 53.050 0.018 0.000 0.846 161 N CB 0.335 38.833 38.487 0.018 0.000 1.061 161 N HN 0.142 8.513 8.380 -0.015 0.000 0.478 162 V N 5.408 125.351 119.914 0.048 0.000 2.628 162 V HA 0.116 4.260 4.120 0.040 0.000 0.306 162 V C -1.957 174.167 176.094 0.049 0.000 1.045 162 V CA -0.932 61.401 62.300 0.057 0.000 0.905 162 V CB 3.938 35.824 31.823 0.104 0.000 0.997 162 V HN 1.130 9.213 8.190 0.065 0.146 0.436 163 D N 5.356 125.782 120.400 0.044 0.000 2.381 163 D HA 0.347 5.128 4.640 0.025 -0.125 0.235 163 D C -1.301 175.010 176.300 0.019 0.000 1.068 163 D CA -0.772 53.245 54.000 0.029 0.000 0.832 163 D CB 1.602 42.419 40.800 0.028 0.000 1.101 163 D HN 0.190 8.591 8.370 0.051 0.000 0.515 164 V N 4.967 124.869 119.914 -0.020 0.000 2.482 164 V HA 0.179 4.277 4.120 -0.037 0.000 0.295 164 V C -1.829 174.181 176.094 -0.139 0.000 1.026 164 V CA -2.217 60.047 62.300 -0.060 0.000 0.856 164 V CB 4.194 35.987 31.823 -0.051 0.000 1.001 164 V HN 0.278 8.456 8.190 -0.020 0.000 0.424 165 D N 7.843 128.084 120.400 -0.265 0.000 2.488 165 D HA -0.204 4.317 4.640 -0.198 0.000 0.238 165 D C 0.052 176.210 176.300 -0.237 0.000 1.138 165 D CA 2.038 55.858 54.000 -0.301 0.000 0.873 165 D CB 1.532 42.002 40.800 -0.550 0.000 1.183 165 D HN 0.523 8.689 8.370 -0.340 0.000 0.458 166 G N 2.033 110.747 108.800 -0.143 0.000 2.421 166 G HA2 -0.210 3.694 3.960 -0.093 0.000 0.216 166 G HA3 -0.210 3.787 3.960 -0.041 -0.062 0.216 166 G C -0.501 174.326 174.900 -0.122 0.000 1.171 166 G CA 1.160 46.203 45.100 -0.096 0.000 0.775 166 G HN 0.054 8.207 8.290 -0.114 0.069 0.543 167 S N 0.507 116.127 115.700 -0.134 0.000 2.955 167 S HA -0.045 4.364 4.470 -0.100 0.000 0.294 167 S C -1.617 172.854 174.600 -0.214 0.000 1.198 167 S CA 0.654 58.776 58.200 -0.130 0.000 1.008 167 S CB -0.797 62.354 63.200 -0.082 0.000 1.279 167 S HN -0.486 7.745 8.310 -0.133 0.000 0.508 168 V N 3.070 122.817 119.914 -0.278 0.000 5.044 168 V HA 0.203 4.112 4.120 -0.352 0.000 0.132 168 V C -1.517 174.320 176.094 -0.428 0.000 1.180 168 V CA -0.776 61.253 62.300 -0.453 0.000 1.156 168 V CB 1.683 33.034 31.823 -0.786 0.000 1.523 168 V HN -0.593 7.460 8.190 -0.230 0.000 0.618 169 S N -2.635 112.816 115.700 -0.416 0.000 2.570 169 S HA 0.281 4.681 4.470 -0.118 0.000 0.286 169 S C -0.018 174.573 174.600 -0.014 0.000 1.143 169 S CA -0.427 57.694 58.200 -0.133 0.000 0.921 169 S CB 2.624 65.878 63.200 0.089 0.000 1.108 169 S HN -0.659 7.376 8.310 -0.460 0.000 0.456 170 S N 5.536 121.187 115.700 -0.082 0.000 2.465 170 S HA -0.294 4.149 4.470 -0.044 0.000 0.241 170 S C 0.969 175.525 174.600 -0.073 0.000 1.000 170 S CA 2.946 61.094 58.200 -0.085 0.000 0.964 170 S CB 0.093 63.214 63.200 -0.131 0.000 0.763 170 S HN 0.671 8.907 8.310 -0.124 0.000 0.512 171 Q N -0.295 119.479 119.800 -0.043 0.000 2.424 171 Q HA -0.014 4.268 4.340 -0.096 0.000 0.204 171 Q C 1.948 177.939 176.000 -0.015 0.000 0.933 171 Q CA 2.527 58.297 55.803 -0.056 0.000 0.929 171 Q CB -0.653 28.024 28.738 -0.102 0.000 1.037 171 Q HN 0.342 8.547 8.270 -0.011 0.059 0.511 172 F N 1.460 121.331 119.950 -0.132 0.000 2.094 172 F HA -0.277 4.195 4.527 -0.093 0.000 0.291 172 F C 1.565 177.277 175.800 -0.146 0.000 1.109 172 F CA 4.157 62.090 58.000 -0.112 0.000 1.221 172 F CB -0.042 38.906 39.000 -0.088 0.000 1.014 172 F HN 0.270 8.633 8.300 0.408 0.182 0.473 173 L N -2.110 119.122 121.223 0.015 0.000 2.083 173 L HA -0.429 3.790 4.340 -0.202 0.000 0.209 173 L C 2.069 178.836 176.870 -0.172 0.000 1.083 173 L CA 3.656 58.380 54.840 -0.193 0.000 0.752 173 L CB -0.167 41.655 42.059 -0.394 0.000 0.899 173 L HN -0.435 7.830 8.230 0.059 0.000 0.433 174 T N -0.038 114.457 114.554 -0.099 0.000 2.759 174 T HA -0.430 3.894 4.350 -0.044 0.000 0.269 174 T C 1.362 176.006 174.700 -0.093 0.000 1.042 174 T CA 5.237 67.297 62.100 -0.066 0.000 1.140 174 T CB -0.239 68.607 68.868 -0.038 0.000 0.864 174 T HN -0.582 7.606 8.240 -0.068 0.011 0.455 175 A N 1.229 123.975 122.820 -0.124 0.000 1.902 175 A HA -0.213 4.012 4.320 -0.159 0.000 0.217 175 A C 2.019 179.492 177.584 -0.186 0.000 1.181 175 A CA 2.975 54.913 52.037 -0.165 0.000 0.623 175 A CB -0.663 18.209 19.000 -0.213 0.000 0.818 175 A HN -0.397 7.473 8.150 -0.113 0.212 0.443 176 L N -3.112 118.013 121.223 -0.164 0.000 2.179 176 L HA -0.250 3.912 4.340 -0.296 0.000 0.208 176 L C 2.366 179.151 176.870 -0.142 0.000 1.096 176 L CA 2.758 57.489 54.840 -0.181 0.000 0.779 176 L CB -0.382 41.624 42.059 -0.088 0.000 0.922 176 L HN -0.565 7.485 8.230 -0.137 0.098 0.443 177 L N -0.572 120.595 121.223 -0.093 0.000 2.083 177 L HA -0.346 4.010 4.340 0.026 0.000 0.209 177 L C 2.068 178.940 176.870 0.005 0.000 1.083 177 L CA 3.431 58.264 54.840 -0.011 0.000 0.752 177 L CB -0.446 41.627 42.059 0.023 0.000 0.899 177 L HN 0.335 8.284 8.230 -0.112 0.213 0.433 178 M N -3.686 115.898 119.600 -0.028 0.000 2.248 178 M HA -0.077 4.516 4.480 0.188 0.000 0.265 178 M C 2.392 178.645 176.300 -0.079 0.000 1.079 178 M CA 3.023 58.352 55.300 0.049 0.000 1.150 178 M CB 0.480 33.093 32.600 0.022 0.000 1.366 178 M HN -0.353 7.883 8.290 -0.070 0.012 0.433 179 T N 1.646 116.061 114.554 -0.232 0.000 2.896 179 T HA -0.262 3.878 4.350 -0.350 0.000 0.263 179 T C 1.733 176.137 174.700 -0.493 0.000 1.050 179 T CA 4.494 66.345 62.100 -0.414 0.000 1.140 179 T CB -0.135 68.387 68.868 -0.577 0.000 0.877 179 T HN -0.500 7.605 8.240 -0.225 0.000 0.457 180 A N 0.687 123.259 122.820 -0.413 0.000 1.908 180 A HA -0.074 4.175 4.320 -0.117 0.000 0.218 180 A C -0.745 176.842 177.584 0.004 0.000 1.181 180 A CA 4.084 56.038 52.037 -0.137 0.000 0.627 180 A CB -2.312 16.717 19.000 0.048 0.000 0.818 180 A HN 0.358 8.176 8.150 -0.350 0.122 0.445 181 P HA -0.098 4.578 4.420 0.026 -0.241 0.220 181 P C 0.270 177.520 177.300 -0.082 0.000 1.148 181 P CA 2.076 65.163 63.100 -0.022 0.000 0.803 181 P CB -0.227 31.474 31.700 0.001 0.000 0.782 182 L N -5.638 115.477 121.223 -0.180 0.000 2.599 182 L HA 0.163 4.391 4.340 -0.188 0.000 0.230 182 L C -0.064 176.769 176.870 -0.062 0.000 1.141 182 L CA -0.404 54.318 54.840 -0.198 0.000 0.877 182 L CB -0.830 41.025 42.059 -0.340 0.000 1.009 182 L HN -0.829 7.144 8.230 -0.220 0.125 0.447 183 A N -0.365 122.477 122.820 0.038 0.000 2.401 183 A HA 0.171 4.608 4.320 0.194 0.000 0.259 183 A C -0.957 176.684 177.584 0.094 0.000 1.103 183 A CA -2.696 49.452 52.037 0.186 0.000 0.789 183 A CB 0.039 19.340 19.000 0.502 0.000 1.035 183 A HN -0.234 7.702 8.150 0.020 0.227 0.491 184 P HA -0.244 4.189 4.420 0.022 0.000 0.217 184 P C -0.525 176.790 177.300 0.025 0.000 1.148 184 P CA 1.452 64.570 63.100 0.029 0.000 0.828 184 P CB 0.481 32.190 31.700 0.015 0.000 0.783 185 E N -1.076 119.139 120.200 0.025 0.000 2.195 185 E HA 0.142 4.500 4.350 0.014 0.000 0.271 185 E C -1.538 175.086 176.600 0.041 0.000 0.923 185 E CA -1.944 54.464 56.400 0.013 0.000 0.790 185 E CB 2.763 32.450 29.700 -0.022 0.000 1.155 185 E HN 0.135 8.373 8.360 0.031 0.140 0.402 186 D N 2.050 122.473 120.400 0.039 0.000 2.419 186 D HA -0.099 4.744 4.640 0.075 -0.158 0.236 186 D C -0.132 176.208 176.300 0.067 0.000 1.165 186 D CA 0.401 54.436 54.000 0.059 0.000 0.882 186 D CB 0.409 41.237 40.800 0.046 0.000 1.201 186 D HN 0.226 8.612 8.370 0.027 0.000 0.443 187 T N 1.077 115.693 114.554 0.103 0.000 2.900 187 T HA 0.332 4.785 4.350 0.072 -0.060 0.295 187 T C -1.784 172.987 174.700 0.119 0.000 1.044 187 T CA -0.210 61.961 62.100 0.118 0.000 0.995 187 T CB 3.589 72.595 68.868 0.229 0.000 1.072 187 T HN 0.494 8.800 8.240 0.110 0.000 0.473 188 V N 5.389 125.365 119.914 0.104 0.000 2.407 188 V HA 0.729 5.205 4.120 0.146 -0.268 0.291 188 V C -0.959 175.207 176.094 0.120 0.000 1.018 188 V CA -1.478 60.892 62.300 0.118 0.000 0.842 188 V CB 2.515 34.392 31.823 0.090 0.000 0.996 188 V HN 0.531 8.770 8.190 0.082 0.000 0.426 189 I N 8.979 129.640 120.570 0.153 0.000 2.312 189 I HA 0.515 4.907 4.170 0.070 -0.180 0.290 189 I C -1.222 174.982 176.117 0.145 0.000 1.008 189 I CA -1.130 60.225 61.300 0.093 0.000 1.226 189 I CB 1.385 39.358 38.000 -0.045 0.000 1.371 189 I HN 0.393 8.639 8.210 0.218 0.094 0.468 190 R N 8.511 129.070 120.500 0.098 0.000 2.255 190 R HA 0.341 4.859 4.340 0.172 -0.075 0.326 190 R C -1.835 174.507 176.300 0.071 0.000 0.986 190 R CA -0.953 55.214 56.100 0.111 0.000 0.847 190 R CB 1.948 32.295 30.300 0.080 0.000 1.111 190 R HN 0.699 9.010 8.270 0.067 0.000 0.452 191 I N 7.352 127.984 120.570 0.104 0.000 2.325 191 I HA 0.451 4.922 4.170 -0.012 -0.308 0.291 191 I C 0.184 176.323 176.117 0.037 0.000 1.019 191 I CA -2.148 59.181 61.300 0.048 0.000 1.302 191 I CB 0.686 38.740 38.000 0.089 0.000 1.401 191 I HN 0.392 8.815 8.210 0.176 -0.108 0.485 192 K N 8.923 129.316 120.400 -0.012 0.000 2.220 192 K HA -0.024 4.301 4.320 0.008 0.000 0.283 192 K C 0.292 176.887 176.600 -0.008 0.000 1.098 192 K CA 0.187 56.466 56.287 -0.014 0.000 0.928 192 K CB -1.174 31.297 32.500 -0.048 0.000 1.214 192 K HN -0.223 7.999 8.250 -0.046 0.000 0.442 193 G N 6.343 115.161 108.800 0.029 0.000 2.601 193 G HA2 -0.375 3.612 3.960 0.046 0.000 0.224 193 G HA3 -0.375 3.599 3.960 0.024 0.000 0.224 193 G C -1.753 173.208 174.900 0.103 0.000 1.171 193 G CA -0.383 44.745 45.100 0.046 0.000 1.009 193 G HN -0.113 8.202 8.290 0.041 0.000 0.589 194 D N 3.222 123.692 120.400 0.115 0.000 2.391 194 D HA 0.316 5.166 4.640 0.349 0.000 0.245 194 D C -0.137 176.241 176.300 0.130 0.000 1.069 194 D CA -0.895 53.246 54.000 0.234 0.000 0.831 194 D CB 1.456 42.419 40.800 0.271 0.000 1.204 194 D HN -0.063 8.351 8.370 0.072 0.000 0.503 195 L N 2.395 123.627 121.223 0.015 0.000 2.605 195 L HA -0.322 4.063 4.340 -0.077 -0.091 0.296 195 L C 0.966 177.833 176.870 -0.006 0.000 1.255 195 L CA 1.426 56.211 54.840 -0.092 0.000 0.879 195 L CB 0.469 42.350 42.059 -0.298 0.000 1.124 195 L HN -0.006 8.195 8.230 -0.048 0.000 0.507 196 V N 4.533 124.428 119.914 -0.031 0.000 2.548 196 V HA -0.116 4.008 4.120 0.006 0.000 0.249 196 V C -0.056 176.064 176.094 0.043 0.000 1.055 196 V CA 1.898 64.192 62.300 -0.009 0.000 1.065 196 V CB 0.657 32.442 31.823 -0.064 0.000 0.681 196 V HN 0.001 8.151 8.190 -0.067 0.000 0.462 197 S N -3.808 111.926 115.700 0.056 0.000 2.751 197 S HA -0.012 4.541 4.470 0.138 0.000 0.148 197 S C -0.153 174.530 174.600 0.137 0.000 1.057 197 S CA -0.116 58.166 58.200 0.136 0.000 1.103 197 S CB -1.119 62.220 63.200 0.232 0.000 1.709 197 S HN -0.491 7.809 8.310 0.017 0.020 0.484 198 K N 5.403 125.837 120.400 0.057 0.000 2.077 198 K HA -0.298 4.033 4.320 0.017 0.000 0.213 198 K C -1.262 175.398 176.600 0.100 0.000 1.051 198 K CA 5.435 61.735 56.287 0.022 0.000 0.929 198 K CB -1.517 30.926 32.500 -0.096 0.000 0.715 198 K HN 0.520 8.791 8.250 0.034 0.000 0.451 199 P HA -0.231 4.220 4.420 0.052 0.000 0.217 199 P C 1.618 178.944 177.300 0.043 0.000 1.148 199 P CA 3.013 66.149 63.100 0.059 0.000 0.834 199 P CB -0.424 31.294 31.700 0.030 0.000 0.783 200 Y N -2.674 117.650 120.300 0.041 0.000 2.220 200 Y HA -0.341 4.232 4.550 0.039 0.000 0.291 200 Y C 1.993 177.919 175.900 0.042 0.000 1.129 200 Y CA 4.616 62.738 58.100 0.037 0.000 1.161 200 Y CB -0.042 38.435 38.460 0.029 0.000 0.997 200 Y HN 0.316 8.601 8.280 0.253 0.146 0.522 201 I N -0.139 120.565 120.570 0.225 0.000 2.361 201 I HA -0.357 3.912 4.170 0.165 0.000 0.251 201 I C 2.286 178.494 176.117 0.152 0.000 1.133 201 I CA 1.506 62.913 61.300 0.179 0.000 1.413 201 I CB -1.507 36.617 38.000 0.206 0.000 1.073 201 I HN -0.677 7.569 8.210 0.219 0.095 0.424 202 D N 0.015 120.484 120.400 0.115 0.000 2.097 202 D HA -0.293 4.395 4.640 0.080 0.000 0.195 202 D C 2.684 179.030 176.300 0.077 0.000 0.989 202 D CA 3.888 57.936 54.000 0.081 0.000 0.827 202 D CB 0.251 41.084 40.800 0.055 0.000 0.966 202 D HN 0.025 8.347 8.370 0.113 0.115 0.456 203 I N -0.435 120.178 120.570 0.071 0.000 2.142 203 I HA -0.553 3.659 4.170 0.071 0.000 0.240 203 I C 2.004 178.177 176.117 0.093 0.000 1.078 203 I CA 4.381 65.724 61.300 0.073 0.000 1.343 203 I CB -0.205 37.822 38.000 0.045 0.000 1.046 203 I HN -0.606 7.642 8.210 0.065 0.000 0.405 204 T N 2.732 117.350 114.554 0.107 0.000 2.635 204 T HA -0.394 3.995 4.350 0.064 0.000 0.267 204 T C 2.290 177.040 174.700 0.083 0.000 1.040 204 T CA 4.747 66.899 62.100 0.087 0.000 1.156 204 T CB -0.559 68.363 68.868 0.091 0.000 0.863 204 T HN -0.170 8.149 8.240 0.131 0.000 0.430 205 L N -1.275 120.009 121.223 0.102 0.000 2.201 205 L HA -0.347 4.056 4.340 0.105 0.000 0.212 205 L C 2.387 179.311 176.870 0.089 0.000 1.105 205 L CA 3.030 57.931 54.840 0.101 0.000 0.775 205 L CB -0.879 41.245 42.059 0.108 0.000 0.913 205 L HN -0.018 8.280 8.230 0.113 0.000 0.440 206 N N -0.132 118.621 118.700 0.088 0.000 2.173 206 N HA -0.163 4.624 4.740 0.078 0.000 0.184 206 N C 2.186 177.767 175.510 0.118 0.000 1.025 206 N CA 3.058 56.163 53.050 0.092 0.000 0.852 206 N CB 0.253 38.793 38.487 0.088 0.000 0.998 206 N HN -0.508 7.788 8.380 0.089 0.137 0.427 207 L N 0.331 121.623 121.223 0.115 0.000 2.156 207 L HA -0.089 4.332 4.340 0.135 0.000 0.208 207 L C 1.544 178.441 176.870 0.045 0.000 1.095 207 L CA 2.745 57.605 54.840 0.032 0.000 0.770 207 L CB 0.037 42.057 42.059 -0.065 0.000 0.914 207 L HN 0.623 8.786 8.230 0.104 0.129 0.439 208 M N -2.509 117.148 119.600 0.095 0.000 2.200 208 M HA -0.345 4.251 4.480 0.192 0.000 0.265 208 M C 2.162 178.542 176.300 0.133 0.000 1.066 208 M CA 3.570 58.942 55.300 0.121 0.000 1.127 208 M CB -0.157 32.485 32.600 0.069 0.000 1.379 208 M HN 0.397 8.517 8.290 0.077 0.216 0.420 209 K N -0.155 120.305 120.400 0.099 0.000 2.097 209 K HA -0.221 4.425 4.320 0.105 -0.263 0.206 209 K C 3.139 179.765 176.600 0.045 0.000 1.049 209 K CA 3.067 59.404 56.287 0.084 0.000 0.933 209 K CB -0.331 32.211 32.500 0.070 0.000 0.717 209 K HN -0.407 7.689 8.250 0.093 0.210 0.442 210 T N 0.125 114.674 114.554 -0.009 0.000 2.929 210 T HA -0.275 4.046 4.350 -0.050 0.000 0.271 210 T C 0.511 175.052 174.700 -0.264 0.000 1.085 210 T CA 3.280 65.308 62.100 -0.119 0.000 1.125 210 T CB -0.045 68.772 68.868 -0.084 0.000 0.874 210 T HN -0.604 7.543 8.240 0.023 0.107 0.494 211 F N -3.133 116.753 119.950 -0.107 0.000 2.789 211 F HA 0.083 4.718 4.527 -0.112 -0.175 0.300 211 F C 0.473 176.274 175.800 0.001 0.000 1.132 211 F CA 0.671 58.570 58.000 -0.168 0.000 1.404 211 F CB 1.003 39.660 39.000 -0.572 0.000 1.114 211 F HN -0.522 7.600 8.300 0.009 0.183 0.584 212 G N -2.780 106.124 108.800 0.174 0.000 2.175 212 G HA2 -0.293 3.741 3.960 0.122 0.000 0.182 212 G HA3 -0.293 3.796 3.960 0.215 0.000 0.182 212 G C -1.083 173.941 174.900 0.207 0.000 1.003 212 G CA -0.490 44.721 45.100 0.184 0.000 0.666 212 G HN 0.058 8.213 8.290 0.115 0.204 0.506 213 V N -3.685 116.371 119.914 0.237 0.000 2.769 213 V HA 0.474 4.694 4.120 0.168 0.000 0.312 213 V C -2.284 173.900 176.094 0.151 0.000 1.061 213 V CA -3.174 59.254 62.300 0.214 0.000 0.931 213 V CB 2.279 34.293 31.823 0.317 0.000 1.010 213 V HN -0.811 7.518 8.190 0.232 0.000 0.433 214 E N 3.563 123.834 120.200 0.117 0.000 2.272 214 E HA 0.323 4.729 4.350 0.094 0.000 0.269 214 E C -1.599 175.054 176.600 0.089 0.000 0.877 214 E CA -1.269 55.186 56.400 0.092 0.000 0.755 214 E CB 3.562 33.303 29.700 0.068 0.000 1.192 214 E HN -0.236 8.311 8.360 0.111 -0.120 0.422 215 I N 2.701 123.325 120.570 0.091 0.000 2.603 215 I HA 0.380 4.607 4.170 0.095 0.000 0.300 215 I C -0.852 175.294 176.117 0.048 0.000 1.017 215 I CA -2.913 58.447 61.300 0.099 0.000 1.098 215 I CB 1.927 40.027 38.000 0.167 0.000 1.279 215 I HN 0.195 8.459 8.210 0.089 0.000 0.437 216 E N 4.361 124.576 120.200 0.024 0.000 2.109 216 E HA 0.277 4.593 4.350 -0.057 0.000 0.278 216 E C -1.472 175.025 176.600 -0.172 0.000 0.954 216 E CA -1.867 54.503 56.400 -0.049 0.000 0.779 216 E CB 1.826 31.511 29.700 -0.024 0.000 1.093 216 E HN 0.832 9.112 8.360 0.057 0.115 0.401 217 N N 4.673 123.191 118.700 -0.305 0.000 2.513 217 N HA 0.104 4.220 4.740 -1.040 0.000 0.274 217 N C -0.884 174.403 175.510 -0.372 0.000 1.189 217 N CA -0.209 52.472 53.050 -0.616 0.000 0.975 217 N CB 1.410 39.526 38.487 -0.619 0.000 1.157 217 N HN 0.478 8.728 8.380 -0.215 0.000 0.465 218 Q N -0.174 119.407 119.800 -0.365 0.000 3.036 218 Q HA 0.138 4.384 4.340 -0.157 0.000 0.195 218 Q C 0.193 176.123 176.000 -0.116 0.000 1.139 218 Q CA -1.420 54.287 55.803 -0.161 0.000 0.544 218 Q CB 2.271 30.986 28.738 -0.038 0.000 4.824 218 Q HN 0.483 8.419 8.270 -0.556 0.000 0.325 219 H N 1.763 120.833 119.070 -0.000 0.000 3.563 219 H HA -0.134 4.455 4.556 0.054 0.000 0.219 219 H C -0.631 174.792 175.328 0.158 0.000 1.771 219 H CA 0.948 57.032 56.048 0.060 0.000 1.458 219 H CB -1.555 28.238 29.762 0.051 0.000 1.796 219 H HN 0.336 8.710 8.280 0.157 0.000 0.652 220 Y N -1.468 118.848 120.300 0.026 0.000 3.825 220 Y HA -0.454 4.107 4.550 0.018 0.000 0.221 220 Y C -2.626 173.347 175.900 0.122 0.000 1.195 220 Y CA 1.796 59.930 58.100 0.055 0.000 1.699 220 Y CB -1.312 37.194 38.460 0.077 0.000 1.531 220 Y HN 0.414 8.697 8.280 0.105 0.059 0.640 221 Q N -7.210 112.667 119.800 0.128 0.000 2.190 221 Q HA 0.079 4.612 4.340 0.323 0.000 0.434 221 Q C -1.070 175.110 176.000 0.301 0.000 0.453 221 Q CA -1.130 54.819 55.803 0.243 0.000 1.039 221 Q CB 0.526 29.378 28.738 0.191 0.000 0.779 221 Q HN -0.446 7.823 8.270 0.038 0.024 0.345 222 Q N 1.260 121.225 119.800 0.275 0.000 3.303 222 Q HA -0.400 4.295 4.340 0.313 -0.167 0.358 222 Q C -1.008 175.135 176.000 0.237 0.000 1.358 222 Q CA 1.585 57.548 55.803 0.267 0.000 0.839 222 Q CB 0.126 28.945 28.738 0.136 0.000 1.299 222 Q HN 0.211 8.609 8.270 0.214 0.000 0.576 223 F N 2.045 122.011 119.950 0.025 0.000 2.532 223 F HA 0.589 5.285 4.527 0.019 -0.158 0.321 223 F C -0.574 175.245 175.800 0.033 0.000 1.089 223 F CA -2.000 56.015 58.000 0.024 0.000 0.926 223 F CB 3.910 42.922 39.000 0.021 0.000 1.168 223 F HN 0.803 9.253 8.300 0.463 0.128 0.459 224 V N 2.304 122.307 119.914 0.148 0.000 2.376 224 V HA 0.347 4.665 4.120 0.123 -0.124 0.287 224 V C -2.009 174.149 176.094 0.108 0.000 1.015 224 V CA -0.800 61.565 62.300 0.108 0.000 0.834 224 V CB 1.923 33.779 31.823 0.055 0.000 1.001 224 V HN 1.217 9.327 8.190 0.077 0.126 0.428 225 V N 8.399 128.384 119.914 0.118 0.000 2.555 225 V HA 0.438 4.617 4.120 0.098 0.000 0.302 225 V C -2.320 173.825 176.094 0.085 0.000 1.038 225 V CA -2.977 59.386 62.300 0.106 0.000 0.887 225 V CB 4.426 36.321 31.823 0.119 0.000 0.991 225 V HN 0.934 9.199 8.190 0.125 0.000 0.434 226 K N 9.245 129.687 120.400 0.069 0.000 2.297 226 K HA 0.279 4.631 4.320 0.054 0.000 0.286 226 K C -0.250 176.382 176.600 0.053 0.000 1.053 226 K CA -0.810 55.511 56.287 0.056 0.000 0.940 226 K CB 1.156 33.684 32.500 0.047 0.000 1.019 226 K HN 0.568 8.861 8.250 0.070 0.000 0.475 227 G N 1.051 109.883 108.800 0.053 0.000 2.562 227 G HA2 0.064 4.291 3.960 0.053 0.000 0.275 227 G HA3 0.064 4.168 3.960 0.061 -0.107 0.275 227 G C -0.308 174.609 174.900 0.028 0.000 1.196 227 G CA -0.955 44.175 45.100 0.050 0.000 0.908 227 G HN 0.045 8.366 8.290 0.051 0.000 0.524 228 G N 0.031 108.840 108.800 0.015 0.000 2.143 228 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.248 228 G HA3 -0.414 3.554 3.960 0.013 0.000 0.248 228 G C -0.085 174.812 174.900 -0.005 0.000 0.991 228 G CA -0.116 44.987 45.100 0.004 0.000 0.689 228 G HN 0.243 8.421 8.290 0.019 0.124 0.522 229 Q N -0.909 118.877 119.800 -0.023 0.000 2.397 229 Q HA 0.026 4.374 4.340 0.013 0.000 0.193 229 Q C -0.698 175.268 176.000 -0.057 0.000 1.083 229 Q CA 0.300 56.091 55.803 -0.020 0.000 1.108 229 Q CB 1.207 29.938 28.738 -0.012 0.000 1.172 229 Q HN 0.362 8.463 8.270 -0.030 0.151 0.617 230 S N -1.443 114.250 115.700 -0.013 0.000 2.541 230 S HA 0.218 4.627 4.470 -0.103 0.000 0.271 230 S C -2.033 172.664 174.600 0.162 0.000 1.133 230 S CA -0.723 57.481 58.200 0.006 0.000 0.876 230 S CB 1.605 64.852 63.200 0.079 0.000 1.105 230 S HN 0.180 8.517 8.310 0.044 0.000 0.470 231 Y N 1.699 122.032 120.300 0.055 0.000 2.330 231 Y HA 0.521 5.336 4.550 0.137 -0.183 0.336 231 Y C -0.370 175.623 175.900 0.154 0.000 1.036 231 Y CA -3.087 55.071 58.100 0.096 0.000 1.125 231 Y CB 1.139 39.600 38.460 0.001 0.000 1.194 231 Y HN 0.593 8.920 8.280 0.078 0.000 0.469 232 Q N 2.147 122.159 119.800 0.353 0.000 2.351 232 Q HA 0.482 5.167 4.340 0.271 -0.182 0.273 232 Q C -0.985 175.150 176.000 0.225 0.000 1.077 232 Q CA -1.758 54.197 55.803 0.253 0.000 0.843 232 Q CB 5.341 34.181 28.738 0.170 0.000 1.367 232 Q HN 1.259 9.616 8.270 0.366 0.132 0.449 233 S N 2.081 117.882 115.700 0.169 0.000 2.405 233 S HA 0.355 4.912 4.470 0.146 0.000 0.291 233 S C -1.010 173.593 174.600 0.006 0.000 1.137 233 S CA -2.071 56.195 58.200 0.109 0.000 1.061 233 S CB 0.068 63.338 63.200 0.117 0.000 1.001 233 S HN -0.160 8.252 8.310 0.170 0.000 0.507 234 P HA -0.006 4.370 4.420 -0.072 0.000 0.239 234 P C -0.155 177.113 177.300 -0.054 0.000 1.184 234 P CA 0.085 63.116 63.100 -0.114 0.000 0.760 234 P CB 0.245 31.808 31.700 -0.228 0.000 0.884 235 G N 0.013 108.799 108.800 -0.024 0.000 4.045 235 G HA2 -0.332 3.638 3.960 0.017 0.000 0.261 235 G HA3 -0.332 3.624 3.960 -0.006 0.000 0.261 235 G C -2.068 172.840 174.900 0.013 0.000 1.772 235 G CA -0.086 45.015 45.100 0.001 0.000 1.264 235 G HN 0.065 8.250 8.290 -0.018 0.094 0.609 236 T N 5.436 119.993 114.554 0.005 0.000 2.841 236 T HA 0.441 5.021 4.350 0.048 -0.201 0.283 236 T C -1.836 172.883 174.700 0.032 0.000 1.000 236 T CA -0.137 61.977 62.100 0.023 0.000 0.977 236 T CB 2.325 71.195 68.868 0.003 0.000 0.979 236 T HN -0.249 7.983 8.240 -0.014 0.000 0.446 237 Y N 6.535 126.797 120.300 -0.063 0.000 2.406 237 Y HA 0.261 4.760 4.550 -0.086 0.000 0.340 237 Y C -2.587 173.292 175.900 -0.035 0.000 0.975 237 Y CA -0.977 57.078 58.100 -0.075 0.000 1.056 237 Y CB 4.218 42.605 38.460 -0.123 0.000 1.210 237 Y HN 1.218 9.458 8.280 0.145 0.127 0.448 238 L N 7.553 128.673 121.223 -0.171 0.000 2.255 238 L HA 0.345 4.859 4.340 0.058 -0.139 0.289 238 L C -1.768 175.177 176.870 0.124 0.000 1.046 238 L CA -0.794 54.031 54.840 -0.025 0.000 0.816 238 L CB 0.989 42.975 42.059 -0.121 0.000 1.197 238 L HN 0.407 8.247 8.230 -0.649 0.000 0.427 239 V N 8.232 128.273 119.914 0.211 0.000 2.405 239 V HA -0.096 4.212 4.120 0.314 0.000 0.264 239 V C -0.636 175.519 176.094 0.102 0.000 1.048 239 V CA 0.488 62.910 62.300 0.204 0.000 0.966 239 V CB -0.105 31.806 31.823 0.147 0.000 1.015 239 V HN 0.793 9.084 8.190 0.169 0.000 0.477 240 E N 0.000 120.251 120.200 0.085 0.000 2.725 240 E HA 0.000 4.364 4.350 0.024 0.000 0.291 240 E CA 0.000 56.420 56.400 0.033 0.000 0.976 240 E CB 0.000 29.706 29.700 0.011 0.000 0.812 240 E HN 0.000 8.434 8.360 0.123 0.000 0.440