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 3o74_1_A DATA FIRST_RESID 60 DATA SEQUENCE HTRTLGFILP DLENPSYARI AKQLEQGARA RGYQLLIASS DDQPDSERQL DATA SEQUENCE QQLFRARRCD ALFVASCLPP EDDSYRELQD KGLPVIAIDR RLDPAHFCSV DATA SEQUENCE ISDDRDASRQ LAASLLSSAP RSIALIGARP ELSVSQARAG GFDEALQGYT DATA SEQUENCE GEVRRYQGEA FSRECGQRLX QQLIDDLGGL PDALVTTSYV LLQGVFDTLQ DATA SEQUENCE ARPVDSRQLQ LGTFGDNQLL DFLPLPVNAX AQQHGQIAAT ALELALAAIE DATA SEQUENCE EKRYEPGVHA VGRTFKQRIS 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 60 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 60 H C 0.000 175.336 175.328 0.013 0.000 0.993 60 H CA 0.000 56.064 56.048 0.026 0.000 1.023 60 H CB 0.000 29.772 29.762 0.017 0.000 1.292 61 T N 0.238 114.846 114.554 0.090 0.000 3.067 61 T HA -0.039 4.314 4.350 0.005 0.000 0.261 61 T C 1.218 175.921 174.700 0.006 0.000 1.110 61 T CA 0.257 62.388 62.100 0.052 0.000 1.113 61 T CB 0.095 69.002 68.868 0.065 0.000 0.917 61 T HN 0.612 8.852 8.240 -0.000 0.000 0.499 62 R N 1.491 121.960 120.500 -0.052 0.000 3.525 62 R HA -0.124 4.219 4.340 0.005 0.000 0.276 62 R C -0.303 176.018 176.300 0.035 0.000 1.116 62 R CA 1.128 57.100 56.100 -0.214 0.000 0.745 62 R CB -2.558 27.555 30.300 -0.311 0.000 1.185 62 R HN 0.868 9.138 8.270 -0.000 0.000 0.454 63 T N -2.664 111.993 114.554 0.172 0.000 2.916 63 T HA 0.727 5.080 4.350 0.005 0.000 0.298 63 T C -0.101 174.706 174.700 0.178 0.000 1.031 63 T CA -1.106 61.111 62.100 0.195 0.000 0.993 63 T CB 1.895 70.848 68.868 0.142 0.000 1.045 63 T HN 0.098 8.338 8.240 -0.000 0.000 0.454 64 L N 2.070 123.385 121.223 0.154 0.000 2.334 64 L HA 0.826 5.169 4.340 0.005 0.000 0.273 64 L C 0.843 177.726 176.870 0.023 0.000 1.013 64 L CA -1.113 53.739 54.840 0.021 0.000 0.816 64 L CB 1.900 43.980 42.059 0.035 0.000 1.278 64 L HN 0.992 9.222 8.230 -0.000 0.000 0.431 65 G N 0.804 109.488 108.800 -0.193 0.000 2.400 65 G HA2 0.612 4.575 3.960 0.005 0.000 0.333 65 G HA3 0.612 4.575 3.960 0.005 0.000 0.333 65 G C -1.712 173.024 174.900 -0.274 0.000 1.143 65 G CA -0.138 44.635 45.100 -0.546 0.000 0.914 65 G HN 0.292 8.582 8.290 -0.000 0.000 0.480 66 F N 2.505 122.220 119.950 -0.393 0.000 2.612 66 F HA 0.535 5.065 4.527 0.005 0.000 0.332 66 F C -0.766 174.967 175.800 -0.111 0.000 1.167 66 F CA -2.219 55.714 58.000 -0.112 0.000 0.970 66 F CB 1.211 40.244 39.000 0.054 0.000 1.234 66 F HN 0.264 8.564 8.300 -0.000 0.000 0.453 67 I N 7.560 128.174 120.570 0.072 0.000 2.331 67 I HA 0.361 4.534 4.170 0.005 0.000 0.292 67 I C -0.872 175.066 176.117 -0.299 0.000 0.998 67 I CA -0.847 60.413 61.300 -0.066 0.000 1.267 67 I CB 1.244 39.295 38.000 0.084 0.000 1.386 67 I HN 0.475 8.685 8.210 -0.000 0.000 0.476 68 L N 5.509 126.444 121.223 -0.479 0.000 2.350 68 L HA 0.703 5.046 4.340 0.005 0.000 0.260 68 L C -2.661 173.929 176.870 -0.468 0.000 1.015 68 L CA -1.738 52.714 54.840 -0.648 0.000 0.821 68 L CB 0.778 42.240 42.059 -0.995 0.000 1.370 68 L HN 0.094 8.324 8.230 -0.000 0.000 0.416 69 P HA 0.080 4.500 4.420 -0.000 0.000 0.219 69 P C -0.738 176.445 177.300 -0.194 0.000 1.154 69 P CA 1.063 63.970 63.100 -0.322 0.000 0.826 69 P CB 0.257 31.768 31.700 -0.316 0.000 0.795 70 D N -1.633 118.639 120.400 -0.214 0.000 2.613 70 D HA 0.145 4.788 4.640 0.005 0.000 0.230 70 D C 0.625 176.934 176.300 0.016 0.000 1.365 70 D CA -0.322 53.664 54.000 -0.024 0.000 0.976 70 D CB 0.696 41.553 40.800 0.096 0.000 1.415 70 D HN -0.246 8.124 8.370 -0.000 0.000 0.589 71 L N 2.318 123.538 121.223 -0.005 0.000 2.201 71 L HA 0.009 4.352 4.340 0.005 0.000 0.212 71 L C 1.863 178.763 176.870 0.050 0.000 1.105 71 L CA 0.985 55.831 54.840 0.010 0.000 0.775 71 L CB 0.022 42.079 42.059 -0.003 0.000 0.913 71 L HN 0.465 8.695 8.230 -0.000 0.000 0.440 72 E N -0.589 119.650 120.200 0.064 0.000 2.481 72 E HA -0.049 4.304 4.350 0.005 0.000 0.195 72 E C 0.472 177.136 176.600 0.107 0.000 1.047 72 E CA -0.217 56.228 56.400 0.076 0.000 0.867 72 E CB 0.012 29.755 29.700 0.072 0.000 0.858 72 E HN 0.278 8.638 8.360 -0.000 0.000 0.513 73 N N 1.811 120.596 118.700 0.142 0.000 2.405 73 N HA 0.014 4.757 4.740 0.005 0.000 0.260 73 N C -2.007 173.564 175.510 0.101 0.000 1.152 73 N CA -1.726 51.422 53.050 0.162 0.000 0.948 73 N CB 1.238 39.881 38.487 0.261 0.000 1.111 73 N HN -0.182 8.198 8.380 -0.000 0.000 0.485 74 P HA -0.070 4.350 4.420 -0.000 0.000 0.219 74 P C 1.106 178.341 177.300 -0.108 0.000 1.146 74 P CA 0.996 64.078 63.100 -0.030 0.000 0.808 74 P CB 0.409 32.071 31.700 -0.064 0.000 0.779 75 S N -1.890 113.756 115.700 -0.090 0.000 2.355 75 S HA -0.149 4.324 4.470 0.005 0.000 0.222 75 S C 1.740 176.251 174.600 -0.148 0.000 1.031 75 S CA 1.150 59.294 58.200 -0.094 0.000 0.993 75 S CB -1.028 62.071 63.200 -0.168 0.000 0.859 75 S HN 0.251 8.561 8.310 -0.000 0.000 0.453 76 Y N 1.321 121.636 120.300 0.025 0.000 2.263 76 Y HA -0.046 4.508 4.550 0.005 0.000 0.292 76 Y C 2.656 178.562 175.900 0.009 0.000 1.130 76 Y CA 0.574 58.696 58.100 0.037 0.000 1.179 76 Y CB -0.403 38.047 38.460 -0.016 0.000 0.998 76 Y HN 0.276 8.556 8.280 -0.000 0.000 0.532 77 A N 0.418 123.300 122.820 0.104 0.000 1.902 77 A HA -0.189 4.134 4.320 0.005 0.000 0.217 77 A C 2.260 179.827 177.584 -0.029 0.000 1.181 77 A CA 1.403 53.460 52.037 0.033 0.000 0.623 77 A CB -0.434 18.569 19.000 0.005 0.000 0.818 77 A HN 0.272 8.422 8.150 -0.000 0.000 0.443 78 R N -0.494 119.907 120.500 -0.165 0.000 2.073 78 R HA -0.047 4.296 4.340 0.005 0.000 0.234 78 R C 2.080 178.293 176.300 -0.145 0.000 1.134 78 R CA 1.586 57.503 56.100 -0.305 0.000 0.952 78 R CB -0.654 29.099 30.300 -0.910 0.000 0.850 78 R HN 0.639 8.909 8.270 -0.000 0.000 0.433 79 I N 0.527 121.075 120.570 -0.037 0.000 2.226 79 I HA -0.257 3.916 4.170 0.005 0.000 0.245 79 I C 2.579 178.743 176.117 0.078 0.000 1.100 79 I CA 1.251 62.596 61.300 0.074 0.000 1.374 79 I CB -0.458 37.641 38.000 0.165 0.000 1.057 79 I HN 0.132 8.342 8.210 -0.000 0.000 0.413 80 A N 0.916 123.863 122.820 0.211 0.000 1.877 80 A HA -0.271 4.052 4.320 0.005 0.000 0.216 80 A C 2.386 180.030 177.584 0.100 0.000 1.186 80 A CA 2.031 54.222 52.037 0.257 0.000 0.620 80 A CB -0.540 18.615 19.000 0.258 0.000 0.822 80 A HN 0.359 8.509 8.150 -0.000 0.000 0.443 81 K N -1.032 119.398 120.400 0.050 0.000 2.057 81 K HA -0.242 4.081 4.320 0.005 0.000 0.207 81 K C 2.251 178.852 176.600 0.001 0.000 1.049 81 K CA 1.840 58.138 56.287 0.019 0.000 0.931 81 K CB -0.170 32.326 32.500 -0.006 0.000 0.714 81 K HN 0.391 8.641 8.250 -0.000 0.000 0.440 82 Q N 0.250 120.041 119.800 -0.016 0.000 2.119 82 Q HA -0.077 4.266 4.340 0.005 0.000 0.201 82 Q C 1.860 177.825 176.000 -0.058 0.000 0.972 82 Q CA 1.055 56.839 55.803 -0.031 0.000 0.847 82 Q CB -0.128 28.593 28.738 -0.028 0.000 0.903 82 Q HN 0.225 8.495 8.270 -0.000 0.000 0.433 83 L N 0.846 122.010 121.223 -0.098 0.000 2.046 83 L HA -0.160 4.183 4.340 0.005 0.000 0.208 83 L C 2.192 179.029 176.870 -0.056 0.000 1.077 83 L CA 1.944 56.681 54.840 -0.171 0.000 0.747 83 L CB -0.884 40.975 42.059 -0.334 0.000 0.896 83 L HN 0.396 8.626 8.230 -0.000 0.000 0.432 84 E N -0.711 119.491 120.200 0.004 0.000 2.038 84 E HA -0.286 4.067 4.350 0.005 0.000 0.195 84 E C 1.982 178.605 176.600 0.038 0.000 1.000 84 E CA 1.732 58.160 56.400 0.047 0.000 0.803 84 E CB -0.130 29.606 29.700 0.061 0.000 0.750 84 E HN 0.632 8.992 8.360 -0.000 0.000 0.448 85 Q N -0.264 119.548 119.800 0.019 0.000 2.084 85 Q HA -0.113 4.230 4.340 0.005 0.000 0.202 85 Q C 2.265 178.275 176.000 0.017 0.000 0.978 85 Q CA 1.415 57.229 55.803 0.018 0.000 0.844 85 Q CB -0.315 28.427 28.738 0.008 0.000 0.898 85 Q HN 0.456 8.726 8.270 -0.000 0.000 0.426 86 G N 0.613 109.412 108.800 -0.001 0.000 2.402 86 G HA2 -0.212 3.751 3.960 0.005 0.000 0.216 86 G HA3 -0.212 3.751 3.960 0.005 0.000 0.216 86 G C 1.500 176.418 174.900 0.029 0.000 1.162 86 G CA 0.811 45.909 45.100 -0.003 0.000 0.777 86 G HN 0.417 8.707 8.290 -0.000 0.000 0.539 87 A N 0.677 123.523 122.820 0.044 0.000 1.902 87 A HA -0.033 4.290 4.320 0.005 0.000 0.217 87 A C 2.314 179.994 177.584 0.160 0.000 1.181 87 A CA 1.885 53.988 52.037 0.110 0.000 0.623 87 A CB -0.478 18.602 19.000 0.133 0.000 0.818 87 A HN 0.364 8.514 8.150 -0.000 0.000 0.443 88 R N -0.361 120.203 120.500 0.108 0.000 2.105 88 R HA -0.117 4.226 4.340 0.005 0.000 0.239 88 R C 2.163 178.511 176.300 0.079 0.000 1.135 88 R CA 1.424 57.578 56.100 0.090 0.000 0.967 88 R CB -0.381 29.956 30.300 0.062 0.000 0.861 88 R HN 0.442 8.712 8.270 -0.000 0.000 0.442 89 A N 0.459 123.321 122.820 0.069 0.000 2.067 89 A HA -0.051 4.272 4.320 0.005 0.000 0.219 89 A C 1.548 179.179 177.584 0.077 0.000 1.158 89 A CA 0.883 52.955 52.037 0.057 0.000 0.661 89 A CB -0.061 18.963 19.000 0.040 0.000 0.801 89 A HN 0.166 8.316 8.150 -0.000 0.000 0.452 90 R N -1.287 119.289 120.500 0.128 0.000 2.393 90 R HA 0.218 4.561 4.340 0.005 0.000 0.244 90 R C 1.077 177.506 176.300 0.215 0.000 0.920 90 R CA 0.529 56.740 56.100 0.186 0.000 1.076 90 R CB -0.475 29.960 30.300 0.224 0.000 1.119 90 R HN 0.782 9.052 8.270 -0.000 0.000 0.524 91 G N 0.528 109.397 108.800 0.114 0.000 2.132 91 G HA2 -0.296 3.667 3.960 0.005 0.000 0.234 91 G HA3 -0.296 3.667 3.960 0.005 0.000 0.234 91 G C -0.419 174.387 174.900 -0.156 0.000 0.989 91 G CA -0.099 44.981 45.100 -0.034 0.000 0.676 91 G HN 0.291 8.582 8.290 -0.000 0.000 0.522 92 Y N -0.463 119.852 120.300 0.024 0.000 2.446 92 Y HA 0.720 5.273 4.550 0.005 0.000 0.338 92 Y C 0.514 176.438 175.900 0.040 0.000 1.055 92 Y CA -0.892 57.224 58.100 0.027 0.000 1.101 92 Y CB 1.760 40.236 38.460 0.026 0.000 1.221 92 Y HN 0.146 8.426 8.280 -0.000 0.000 0.460 93 Q N 1.723 121.639 119.800 0.193 0.000 2.274 93 Q HA 0.547 4.890 4.340 0.005 0.000 0.260 93 Q C -1.809 174.296 176.000 0.176 0.000 0.974 93 Q CA -0.792 55.099 55.803 0.147 0.000 0.876 93 Q CB 1.700 30.500 28.738 0.102 0.000 1.297 93 Q HN 0.595 8.865 8.270 -0.000 0.000 0.446 94 L N 4.050 125.369 121.223 0.159 0.000 2.287 94 L HA 0.541 4.884 4.340 0.005 0.000 0.287 94 L C -1.739 175.242 176.870 0.184 0.000 1.022 94 L CA -0.156 54.792 54.840 0.179 0.000 0.814 94 L CB 0.917 43.079 42.059 0.172 0.000 1.217 94 L HN 0.636 8.866 8.230 -0.000 0.000 0.420 95 L N 6.374 127.735 121.223 0.229 0.000 2.307 95 L HA 0.553 4.896 4.340 0.005 0.000 0.284 95 L C -0.587 176.475 176.870 0.320 0.000 1.023 95 L CA -0.415 54.593 54.840 0.280 0.000 0.810 95 L CB 1.615 43.901 42.059 0.378 0.000 1.231 95 L HN 0.554 8.784 8.230 -0.000 0.000 0.423 96 I N 2.542 123.263 120.570 0.252 0.000 2.474 96 I HA 0.754 4.927 4.170 0.005 0.000 0.294 96 I C -0.119 176.107 176.117 0.182 0.000 1.005 96 I CA -0.349 61.060 61.300 0.182 0.000 1.113 96 I CB 2.042 40.094 38.000 0.086 0.000 1.289 96 I HN 0.660 8.870 8.210 -0.000 0.000 0.436 97 A N 3.668 126.578 122.820 0.150 0.000 2.539 97 A HA 0.797 5.120 4.320 0.005 0.000 0.296 97 A C -0.991 176.587 177.584 -0.010 0.000 1.073 97 A CA -0.567 51.539 52.037 0.115 0.000 0.700 97 A CB 2.061 21.207 19.000 0.243 0.000 1.296 97 A HN 0.559 8.709 8.150 -0.000 0.000 0.405 98 S N -0.236 115.450 115.700 -0.023 0.000 2.482 98 S HA 0.543 5.016 4.470 0.005 0.000 0.303 98 S C 0.922 175.501 174.600 -0.036 0.000 1.091 98 S CA 0.228 58.386 58.200 -0.069 0.000 1.057 98 S CB 1.401 64.560 63.200 -0.068 0.000 1.031 98 S HN 1.663 9.973 8.310 -0.000 0.000 0.485 99 S N 2.116 117.785 115.700 -0.051 0.000 2.503 99 S HA 0.180 4.653 4.470 0.005 0.000 0.215 99 S C 0.107 174.698 174.600 -0.016 0.000 1.003 99 S CA 0.458 58.646 58.200 -0.020 0.000 0.910 99 S CB -0.330 62.863 63.200 -0.012 0.000 0.790 99 S HN 0.826 9.136 8.310 -0.000 0.000 0.514 100 D N 1.377 121.761 120.400 -0.027 0.000 3.076 100 D HA -0.165 4.478 4.640 0.005 0.000 0.218 100 D C -0.173 176.133 176.300 0.011 0.000 1.156 100 D CA 1.239 55.236 54.000 -0.005 0.000 0.921 100 D CB -1.771 39.030 40.800 0.002 0.000 1.113 100 D HN 0.451 8.821 8.370 -0.000 0.000 0.418 101 D N -0.857 119.546 120.400 0.004 0.000 3.059 101 D HA -0.179 4.464 4.640 0.005 0.000 0.220 101 D C -0.251 176.065 176.300 0.027 0.000 1.169 101 D CA 1.068 55.086 54.000 0.030 0.000 0.902 101 D CB -0.386 40.459 40.800 0.075 0.000 1.116 101 D HN 0.446 8.816 8.370 -0.000 0.000 0.417 102 Q N -0.624 119.185 119.800 0.015 0.000 2.322 102 Q HA 0.252 4.595 4.340 0.005 0.000 0.256 102 Q C -1.585 174.422 176.000 0.011 0.000 0.960 102 Q CA -1.528 54.282 55.803 0.011 0.000 0.934 102 Q CB 1.433 30.175 28.738 0.006 0.000 1.200 102 Q HN 0.068 8.338 8.270 -0.000 0.000 0.435 103 P HA -0.177 4.243 4.420 -0.000 0.000 0.216 103 P C 0.523 177.822 177.300 -0.002 0.000 1.153 103 P CA 1.254 64.359 63.100 0.009 0.000 0.858 103 P CB 0.473 32.177 31.700 0.007 0.000 0.789 104 D N -1.233 119.165 120.400 -0.004 0.000 2.144 104 D HA -0.066 4.577 4.640 0.005 0.000 0.200 104 D C 2.025 178.320 176.300 -0.008 0.000 0.978 104 D CA 1.113 55.108 54.000 -0.009 0.000 0.833 104 D CB -0.521 40.275 40.800 -0.008 0.000 0.961 104 D HN 0.100 8.470 8.370 -0.000 0.000 0.470 105 S N 0.618 116.317 115.700 -0.002 0.000 2.368 105 S HA -0.178 4.295 4.470 0.005 0.000 0.225 105 S C 1.862 176.467 174.600 0.008 0.000 1.030 105 S CA 0.989 59.189 58.200 0.000 0.000 0.999 105 S CB -0.113 63.088 63.200 0.001 0.000 0.844 105 S HN 0.371 8.681 8.310 -0.000 0.000 0.459 106 E N 1.183 121.392 120.200 0.015 0.000 2.110 106 E HA -0.147 4.206 4.350 0.005 0.000 0.193 106 E C 2.184 178.794 176.600 0.017 0.000 0.988 106 E CA 0.813 57.234 56.400 0.036 0.000 0.804 106 E CB 0.025 29.755 29.700 0.050 0.000 0.745 106 E HN 0.389 8.749 8.360 -0.000 0.000 0.458 107 R N -0.007 120.482 120.500 -0.018 0.000 2.092 107 R HA -0.118 4.225 4.340 0.005 0.000 0.231 107 R C 2.541 178.824 176.300 -0.028 0.000 1.119 107 R CA 1.582 57.653 56.100 -0.049 0.000 0.970 107 R CB -0.184 30.084 30.300 -0.055 0.000 0.864 107 R HN 0.319 8.589 8.270 -0.000 0.000 0.440 108 Q N 0.561 120.352 119.800 -0.016 0.000 2.124 108 Q HA -0.112 4.231 4.340 0.005 0.000 0.202 108 Q C 2.155 178.147 176.000 -0.014 0.000 0.977 108 Q CA 1.157 56.949 55.803 -0.019 0.000 0.850 108 Q CB -0.094 28.633 28.738 -0.019 0.000 0.901 108 Q HN 0.349 8.619 8.270 -0.000 0.000 0.429 109 L N 0.472 121.704 121.223 0.015 0.000 2.201 109 L HA -0.201 4.142 4.340 0.005 0.000 0.212 109 L C 2.392 179.335 176.870 0.121 0.000 1.105 109 L CA 0.955 55.826 54.840 0.051 0.000 0.775 109 L CB -0.316 41.825 42.059 0.136 0.000 0.913 109 L HN 0.309 8.539 8.230 -0.000 0.000 0.440 110 Q N -0.225 119.635 119.800 0.100 0.000 2.061 110 Q HA -0.265 4.078 4.340 0.005 0.000 0.204 110 Q C 2.218 178.265 176.000 0.078 0.000 0.984 110 Q CA 1.597 57.466 55.803 0.109 0.000 0.846 110 Q CB -0.149 28.573 28.738 -0.027 0.000 0.902 110 Q HN 0.599 8.869 8.270 -0.000 0.000 0.421 111 Q N 0.058 119.867 119.800 0.015 0.000 2.181 111 Q HA -0.179 4.164 4.340 0.005 0.000 0.205 111 Q C 2.040 178.022 176.000 -0.029 0.000 0.980 111 Q CA 0.783 56.582 55.803 -0.006 0.000 0.862 111 Q CB -0.109 28.615 28.738 -0.024 0.000 0.905 111 Q HN 0.242 8.512 8.270 -0.000 0.000 0.429 112 L N -0.316 120.856 121.223 -0.084 0.000 1.988 112 L HA -0.106 4.237 4.340 0.005 0.000 0.207 112 L C 1.776 178.498 176.870 -0.247 0.000 1.071 112 L CA 1.732 56.432 54.840 -0.234 0.000 0.744 112 L CB -0.424 41.375 42.059 -0.432 0.000 0.893 112 L HN 0.110 8.340 8.230 -0.000 0.000 0.433 113 F N -0.908 119.061 119.950 0.031 0.000 2.699 113 F HA -0.019 4.511 4.527 0.005 0.000 0.298 113 F C 2.470 178.288 175.800 0.030 0.000 1.154 113 F CA 0.523 58.545 58.000 0.036 0.000 1.457 113 F CB -0.357 38.673 39.000 0.052 0.000 1.106 113 F HN 0.095 8.395 8.300 -0.000 0.000 0.585 114 R N 0.816 121.402 120.500 0.143 0.000 2.075 114 R HA -0.027 4.316 4.340 0.005 0.000 0.226 114 R C 2.265 178.596 176.300 0.051 0.000 1.114 114 R CA 1.259 57.411 56.100 0.087 0.000 0.972 114 R CB -0.325 30.008 30.300 0.055 0.000 0.869 114 R HN 0.190 8.460 8.270 -0.000 0.000 0.437 115 A N 1.173 124.004 122.820 0.018 0.000 1.874 115 A HA 0.018 4.341 4.320 0.005 0.000 0.214 115 A C 2.047 179.638 177.584 0.012 0.000 1.189 115 A CA 0.566 52.605 52.037 0.003 0.000 0.615 115 A CB -0.297 18.689 19.000 -0.023 0.000 0.830 115 A HN 0.214 8.364 8.150 -0.000 0.000 0.443 116 R N -1.217 119.287 120.500 0.007 0.000 2.200 116 R HA -0.129 4.214 4.340 0.005 0.000 0.234 116 R C 0.691 177.033 176.300 0.070 0.000 1.127 116 R CA 1.084 57.203 56.100 0.032 0.000 0.989 116 R CB -0.528 29.794 30.300 0.037 0.000 0.869 116 R HN 0.495 8.765 8.270 -0.000 0.000 0.459 117 R N 0.681 121.229 120.500 0.081 0.000 3.264 117 R HA -0.157 4.186 4.340 0.005 0.000 0.251 117 R C -0.316 176.040 176.300 0.093 0.000 0.971 117 R CA 0.673 56.821 56.100 0.080 0.000 0.658 117 R CB -2.542 27.795 30.300 0.061 0.000 1.095 117 R HN 0.502 8.772 8.270 -0.000 0.000 0.443 118 C N -0.451 118.927 119.300 0.130 0.000 2.703 118 C HA 0.282 4.745 4.460 0.005 0.000 0.411 118 C C 1.605 176.618 174.990 0.039 0.000 1.290 118 C CA -0.245 58.839 59.018 0.110 0.000 2.054 118 C CB 1.018 28.851 27.740 0.154 0.000 2.732 118 C HN 0.613 8.843 8.230 -0.000 0.000 0.650 119 D N 1.605 122.010 120.400 0.009 0.000 2.178 119 D HA 0.179 4.822 4.640 0.005 0.000 0.202 119 D C 0.873 177.104 176.300 -0.114 0.000 0.974 119 D CA 2.126 56.095 54.000 -0.051 0.000 0.841 119 D CB -0.041 40.719 40.800 -0.066 0.000 0.953 119 D HN 1.002 9.372 8.370 -0.000 0.000 0.478 120 A N -0.261 122.447 122.820 -0.186 0.000 2.589 120 A HA 0.551 4.874 4.320 0.005 0.000 0.296 120 A C -1.942 175.378 177.584 -0.440 0.000 1.062 120 A CA -0.668 51.181 52.037 -0.312 0.000 0.686 120 A CB 1.451 20.195 19.000 -0.426 0.000 1.282 120 A HN 0.048 8.198 8.150 -0.000 0.000 0.404 121 L N 1.777 122.745 121.223 -0.425 0.000 2.319 121 L HA 0.799 5.142 4.340 0.005 0.000 0.281 121 L C -1.499 175.106 176.870 -0.441 0.000 1.005 121 L CA -0.364 54.228 54.840 -0.414 0.000 0.828 121 L CB 0.411 42.356 42.059 -0.191 0.000 1.227 121 L HN 0.552 8.782 8.230 -0.000 0.000 0.415 122 F N 4.721 124.571 119.950 -0.168 0.000 2.384 122 F HA 0.670 5.200 4.527 0.005 0.000 0.338 122 F C 0.232 176.032 175.800 -0.001 0.000 1.103 122 F CA -0.546 57.347 58.000 -0.179 0.000 1.157 122 F CB 1.718 40.443 39.000 -0.459 0.000 1.167 122 F HN 0.321 8.621 8.300 -0.000 0.000 0.529 123 V N 2.143 122.165 119.914 0.179 0.000 2.852 123 V HA 0.732 4.855 4.120 0.005 0.000 0.300 123 V C -1.426 174.733 176.094 0.107 0.000 1.205 123 V CA -0.629 61.753 62.300 0.136 0.000 0.940 123 V CB 1.738 33.486 31.823 -0.126 0.000 1.047 123 V HN 0.911 9.101 8.190 -0.000 0.000 0.429 124 A N 4.819 127.726 122.820 0.144 0.000 2.582 124 A HA 0.749 5.072 4.320 0.005 0.000 0.336 124 A C 0.228 177.809 177.584 -0.005 0.000 1.445 124 A CA 0.148 52.224 52.037 0.064 0.000 0.997 124 A CB 0.626 19.651 19.000 0.041 0.000 1.148 124 A HN 1.202 9.352 8.150 -0.000 0.000 0.514 125 S N 0.708 116.411 115.700 0.004 0.000 2.617 125 S HA 0.326 4.799 4.470 0.005 0.000 0.269 125 S C 0.951 175.588 174.600 0.061 0.000 1.292 125 S CA 0.094 58.325 58.200 0.052 0.000 1.010 125 S CB 0.561 63.807 63.200 0.077 0.000 0.944 125 S HN 1.403 9.713 8.310 -0.000 0.000 0.536 126 C N 3.725 123.071 119.300 0.077 0.000 3.255 126 C HA 0.536 4.999 4.460 0.005 0.000 0.282 126 C C 0.184 175.214 174.990 0.067 0.000 1.441 126 C CA -0.825 58.235 59.018 0.070 0.000 1.785 126 C CB -1.861 25.914 27.740 0.058 0.000 2.583 126 C HN 0.630 8.860 8.230 -0.000 0.000 0.615 127 L N 2.321 123.594 121.223 0.083 0.000 2.395 127 L HA 0.441 4.784 4.340 0.005 0.000 0.269 127 L C -1.848 175.058 176.870 0.061 0.000 1.133 127 L CA -1.296 53.584 54.840 0.067 0.000 0.812 127 L CB 0.291 42.394 42.059 0.074 0.000 1.125 127 L HN -0.011 8.219 8.230 -0.000 0.000 0.452 128 P HA 0.065 4.485 4.420 -0.000 0.000 0.271 128 P C -2.009 175.324 177.300 0.054 0.000 1.233 128 P CA -0.950 62.176 63.100 0.042 0.000 0.789 128 P CB -0.068 31.650 31.700 0.031 0.000 0.951 129 P HA -0.107 4.313 4.420 -0.000 0.000 0.225 129 P C 1.196 178.540 177.300 0.073 0.000 1.156 129 P CA 1.179 64.319 63.100 0.067 0.000 0.787 129 P CB 0.224 31.958 31.700 0.057 0.000 0.802 130 E N 0.191 120.424 120.200 0.055 0.000 2.150 130 E HA -0.105 4.248 4.350 0.005 0.000 0.193 130 E C 0.604 177.236 176.600 0.054 0.000 0.985 130 E CA 0.195 56.626 56.400 0.051 0.000 0.814 130 E CB -0.180 29.541 29.700 0.035 0.000 0.752 130 E HN 0.144 8.504 8.360 -0.000 0.000 0.466 131 D N 0.991 121.420 120.400 0.049 0.000 2.450 131 D HA -0.067 4.576 4.640 0.005 0.000 0.247 131 D C -0.498 175.841 176.300 0.066 0.000 1.162 131 D CA 0.271 54.293 54.000 0.036 0.000 0.879 131 D CB 0.796 41.605 40.800 0.015 0.000 1.163 131 D HN -0.006 8.364 8.370 -0.000 0.000 0.472 132 D N 1.210 121.644 120.400 0.056 0.000 2.462 132 D HA -0.038 4.605 4.640 0.005 0.000 0.221 132 D C 1.779 178.121 176.300 0.070 0.000 1.173 132 D CA 0.081 54.141 54.000 0.101 0.000 0.831 132 D CB 0.375 41.229 40.800 0.090 0.000 1.001 132 D HN 0.360 8.730 8.370 -0.000 0.000 0.499 133 S N -0.575 115.108 115.700 -0.029 0.000 2.383 133 S HA -0.245 4.228 4.470 0.005 0.000 0.229 133 S C 1.908 176.452 174.600 -0.094 0.000 1.030 133 S CA 0.838 58.966 58.200 -0.119 0.000 1.002 133 S CB -0.702 62.340 63.200 -0.263 0.000 0.829 133 S HN 0.401 8.711 8.310 -0.000 0.000 0.467 134 Y N 1.763 122.111 120.300 0.080 0.000 2.373 134 Y HA 0.106 4.659 4.550 0.005 0.000 0.293 134 Y C 2.960 179.089 175.900 0.382 0.000 1.129 134 Y CA 0.482 58.657 58.100 0.125 0.000 1.226 134 Y CB -0.038 38.332 38.460 -0.150 0.000 1.000 134 Y HN 0.120 8.400 8.280 -0.000 0.000 0.549 135 R N 0.566 121.374 120.500 0.513 0.000 2.070 135 R HA -0.214 4.129 4.340 0.005 0.000 0.233 135 R C 2.102 178.471 176.300 0.114 0.000 1.137 135 R CA 1.710 57.989 56.100 0.299 0.000 0.945 135 R CB -0.782 29.618 30.300 0.166 0.000 0.845 135 R HN 0.501 8.771 8.270 -0.000 0.000 0.430 136 E N 0.887 121.140 120.200 0.087 0.000 2.058 136 E HA -0.183 4.170 4.350 0.005 0.000 0.194 136 E C 2.174 178.799 176.600 0.043 0.000 0.997 136 E CA 1.133 57.554 56.400 0.035 0.000 0.801 136 E CB -0.140 29.571 29.700 0.018 0.000 0.746 136 E HN 0.226 8.586 8.360 -0.000 0.000 0.450 137 L N 0.714 121.987 121.223 0.084 0.000 2.079 137 L HA -0.240 4.103 4.340 0.005 0.000 0.210 137 L C 2.951 179.862 176.870 0.069 0.000 1.081 137 L CA 1.748 56.642 54.840 0.090 0.000 0.752 137 L CB -0.416 41.734 42.059 0.151 0.000 0.896 137 L HN 0.352 8.582 8.230 -0.000 0.000 0.433 138 Q N -0.141 119.712 119.800 0.088 0.000 2.079 138 Q HA -0.224 4.119 4.340 0.005 0.000 0.200 138 Q C 1.650 177.593 176.000 -0.095 0.000 0.974 138 Q CA 1.690 57.475 55.803 -0.030 0.000 0.840 138 Q CB 0.087 28.771 28.738 -0.090 0.000 0.898 138 Q HN 0.442 8.712 8.270 -0.000 0.000 0.430 139 D N 0.659 121.015 120.400 -0.074 0.000 2.178 139 D HA -0.128 4.515 4.640 0.005 0.000 0.201 139 D C 1.129 177.398 176.300 -0.052 0.000 0.980 139 D CA 1.121 55.074 54.000 -0.079 0.000 0.842 139 D CB 0.016 40.776 40.800 -0.068 0.000 0.948 139 D HN 0.292 8.662 8.370 -0.000 0.000 0.472 140 K N -0.491 119.891 120.400 -0.030 0.000 2.525 140 K HA 0.163 4.486 4.320 0.005 0.000 0.192 140 K C 1.090 177.677 176.600 -0.021 0.000 1.029 140 K CA 0.492 56.768 56.287 -0.017 0.000 1.029 140 K CB 0.550 33.049 32.500 -0.001 0.000 0.814 140 K HN 0.151 8.401 8.250 -0.000 0.000 0.503 141 G N 1.404 110.178 108.800 -0.044 0.000 2.163 141 G HA2 -0.210 3.753 3.960 0.005 0.000 0.213 141 G HA3 -0.210 3.753 3.960 0.005 0.000 0.213 141 G C -0.361 174.506 174.900 -0.055 0.000 0.991 141 G CA -0.439 44.630 45.100 -0.051 0.000 0.653 141 G HN 0.196 8.486 8.290 -0.000 0.000 0.518 142 L N 2.446 123.639 121.223 -0.049 0.000 2.278 142 L HA 0.658 5.001 4.340 0.005 0.000 0.287 142 L C -2.039 174.768 176.870 -0.105 0.000 1.072 142 L CA -2.396 52.417 54.840 -0.046 0.000 0.819 142 L CB 0.529 42.592 42.059 0.007 0.000 1.176 142 L HN -0.105 8.125 8.230 -0.000 0.000 0.435 143 P HA 0.095 4.515 4.420 -0.000 0.000 0.265 143 P C -1.132 176.114 177.300 -0.090 0.000 1.222 143 P CA 0.056 63.055 63.100 -0.167 0.000 0.767 143 P CB 0.668 32.313 31.700 -0.092 0.000 0.801 144 V N 6.359 126.277 119.914 0.007 0.000 2.384 144 V HA 0.375 4.498 4.120 0.005 0.000 0.287 144 V C 0.319 176.532 176.094 0.199 0.000 1.020 144 V CA -0.390 61.957 62.300 0.077 0.000 0.850 144 V CB 1.291 33.224 31.823 0.184 0.000 0.987 144 V HN 0.405 8.595 8.190 -0.000 0.000 0.436 145 I N 4.412 125.011 120.570 0.049 0.000 2.382 145 I HA 0.591 4.764 4.170 0.005 0.000 0.286 145 I C 0.564 176.728 176.117 0.079 0.000 1.002 145 I CA -0.541 60.835 61.300 0.128 0.000 1.135 145 I CB 1.770 39.875 38.000 0.175 0.000 1.288 145 I HN 0.661 8.871 8.210 -0.000 0.000 0.448 146 A N 7.931 130.778 122.820 0.044 0.000 2.388 146 A HA 0.704 5.027 4.320 0.005 0.000 0.257 146 A C -0.370 177.234 177.584 0.034 0.000 1.095 146 A CA 0.028 52.059 52.037 -0.009 0.000 0.791 146 A CB 0.359 19.336 19.000 -0.038 0.000 1.029 146 A HN 0.706 8.856 8.150 -0.000 0.000 0.489 147 I N 1.320 121.916 120.570 0.044 0.000 2.533 147 I HA 0.282 4.455 4.170 0.005 0.000 0.290 147 I C 0.526 176.708 176.117 0.109 0.000 1.056 147 I CA -0.062 61.265 61.300 0.045 0.000 1.057 147 I CB 2.049 40.039 38.000 -0.016 0.000 1.240 147 I HN 1.014 9.224 8.210 -0.000 0.000 0.423 148 D N 3.352 123.798 120.400 0.076 0.000 3.737 148 D HA -0.260 4.383 4.640 0.005 0.000 0.202 148 D C 0.376 176.711 176.300 0.058 0.000 1.425 148 D CA 1.918 55.962 54.000 0.074 0.000 2.310 148 D CB -0.220 40.672 40.800 0.153 0.000 1.268 148 D HN 0.602 8.972 8.370 -0.000 0.000 0.410 149 R N 0.771 121.317 120.500 0.076 0.000 2.239 149 R HA 0.459 4.802 4.340 0.005 0.000 0.332 149 R C -0.390 175.922 176.300 0.020 0.000 0.988 149 R CA -0.693 55.435 56.100 0.047 0.000 0.859 149 R CB 1.124 31.459 30.300 0.058 0.000 1.148 149 R HN 0.242 8.512 8.270 -0.000 0.000 0.482 150 R N 2.237 122.748 120.500 0.019 0.000 2.623 150 R HA 0.158 4.501 4.340 0.005 0.000 0.271 150 R C -0.402 175.898 176.300 -0.000 0.000 1.043 150 R CA 0.038 56.148 56.100 0.017 0.000 1.083 150 R CB 0.267 30.583 30.300 0.026 0.000 0.974 150 R HN 0.379 8.649 8.270 -0.000 0.000 0.436 151 L N 0.588 121.805 121.223 -0.011 0.000 2.376 151 L HA 0.287 4.630 4.340 0.005 0.000 0.267 151 L C 0.130 177.073 176.870 0.123 0.000 1.035 151 L CA -1.325 53.493 54.840 -0.036 0.000 0.800 151 L CB 0.912 42.775 42.059 -0.327 0.000 1.290 151 L HN 0.702 8.932 8.230 -0.000 0.000 0.462 152 D N 2.487 123.018 120.400 0.219 0.000 2.536 152 D HA -0.051 4.592 4.640 0.005 0.000 0.260 152 D C -1.545 174.887 176.300 0.221 0.000 1.270 152 D CA -1.016 53.123 54.000 0.233 0.000 0.934 152 D CB 0.786 41.764 40.800 0.298 0.000 1.129 152 D HN 0.177 8.547 8.370 -0.000 0.000 0.533 153 P HA -0.106 4.314 4.420 -0.000 0.000 0.231 153 P C 0.769 178.065 177.300 -0.005 0.000 1.158 153 P CA 0.618 63.750 63.100 0.054 0.000 0.763 153 P CB 0.181 31.887 31.700 0.010 0.000 0.805 154 A N -0.643 122.128 122.820 -0.082 0.000 2.016 154 A HA -0.111 4.212 4.320 0.005 0.000 0.217 154 A C 1.798 179.221 177.584 -0.268 0.000 1.162 154 A CA 1.116 53.011 52.037 -0.238 0.000 0.662 154 A CB -0.848 17.904 19.000 -0.414 0.000 0.812 154 A HN 0.197 8.347 8.150 -0.000 0.000 0.450 155 H N -3.200 115.868 119.070 -0.004 0.000 3.205 155 H HA 0.346 4.905 4.556 0.005 0.000 0.252 155 H C -0.655 174.499 175.328 -0.289 0.000 1.015 155 H CA -0.318 55.606 56.048 -0.208 0.000 1.192 155 H CB 0.328 29.843 29.762 -0.412 0.000 1.474 155 H HN 0.430 8.710 8.280 -0.000 0.000 0.484 156 F N 1.174 121.276 119.950 0.252 0.000 2.522 156 F HA 0.338 4.868 4.527 0.005 0.000 0.324 156 F C 0.502 176.364 175.800 0.103 0.000 1.077 156 F CA -1.374 56.779 58.000 0.256 0.000 0.944 156 F CB 1.442 40.547 39.000 0.174 0.000 1.175 156 F HN 0.011 8.311 8.300 -0.000 0.000 0.468 157 C N 0.392 119.835 119.300 0.238 0.000 2.369 157 C HA 0.855 5.318 4.460 0.005 0.000 0.358 157 C C -0.295 174.776 174.990 0.135 0.000 1.274 157 C CA -0.628 58.411 59.018 0.035 0.000 1.935 157 C CB -0.251 27.338 27.740 -0.252 0.000 2.431 157 C HN 0.697 8.927 8.230 -0.000 0.000 0.545 158 S N 2.225 118.006 115.700 0.135 0.000 2.538 158 S HA 0.660 5.133 4.470 0.005 0.000 0.288 158 S C -0.700 173.975 174.600 0.125 0.000 1.108 158 S CA -0.510 57.753 58.200 0.106 0.000 0.971 158 S CB 1.732 64.977 63.200 0.075 0.000 1.041 158 S HN 0.776 9.086 8.310 -0.000 0.000 0.483 159 V N 4.850 124.805 119.914 0.068 0.000 2.334 159 V HA 0.564 4.687 4.120 0.005 0.000 0.281 159 V C 0.003 176.112 176.094 0.025 0.000 1.016 159 V CA -0.480 61.848 62.300 0.046 0.000 0.832 159 V CB 0.204 32.009 31.823 -0.029 0.000 0.999 159 V HN 0.836 9.026 8.190 -0.000 0.000 0.439 160 I N 1.231 121.820 120.570 0.031 0.000 3.239 160 I HA 0.782 4.955 4.170 0.005 0.000 0.314 160 I C -0.094 176.025 176.117 0.004 0.000 1.126 160 I CA -0.687 60.622 61.300 0.015 0.000 0.973 160 I CB 2.405 40.417 38.000 0.019 0.000 1.252 160 I HN 0.332 8.542 8.210 -0.000 0.000 0.463 161 S N 0.518 116.217 115.700 -0.001 0.000 2.646 161 S HA 0.188 4.661 4.470 0.005 0.000 0.276 161 S C -0.299 174.313 174.600 0.021 0.000 1.222 161 S CA -0.234 57.967 58.200 0.001 0.000 1.014 161 S CB 0.936 64.139 63.200 0.005 0.000 0.991 161 S HN 0.647 8.957 8.310 -0.000 0.000 0.533 162 D N 1.548 121.959 120.400 0.018 0.000 2.767 162 D HA 0.119 4.762 4.640 0.005 0.000 0.231 162 D C 0.356 176.692 176.300 0.059 0.000 1.105 162 D CA 0.034 54.047 54.000 0.021 0.000 1.024 162 D CB -0.244 40.556 40.800 -0.001 0.000 1.123 162 D HN 0.330 8.700 8.370 -0.000 0.000 0.470 163 D N 0.225 120.679 120.400 0.090 0.000 2.117 163 D HA -0.157 4.486 4.640 0.005 0.000 0.198 163 D C 1.915 178.318 176.300 0.172 0.000 0.982 163 D CA 0.612 54.722 54.000 0.184 0.000 0.828 163 D CB 0.075 40.915 40.800 0.067 0.000 0.967 163 D HN 0.370 8.740 8.370 -0.000 0.000 0.464 164 R N 0.815 121.364 120.500 0.082 0.000 2.080 164 R HA -0.166 4.177 4.340 0.005 0.000 0.236 164 R C 1.434 177.772 176.300 0.062 0.000 1.137 164 R CA 1.842 57.984 56.100 0.069 0.000 0.943 164 R CB -0.062 30.259 30.300 0.035 0.000 0.846 164 R HN -0.025 8.245 8.270 -0.000 0.000 0.431 165 D N 0.238 120.656 120.400 0.030 0.000 2.123 165 D HA -0.130 4.513 4.640 0.005 0.000 0.196 165 D C 1.774 178.051 176.300 -0.039 0.000 0.992 165 D CA 1.686 55.681 54.000 -0.008 0.000 0.833 165 D CB -0.311 40.476 40.800 -0.021 0.000 0.954 165 D HN 0.441 8.811 8.370 -0.000 0.000 0.455 166 A N 0.108 122.914 122.820 -0.024 0.000 1.902 166 A HA -0.181 4.142 4.320 0.005 0.000 0.217 166 A C 2.296 179.792 177.584 -0.146 0.000 1.181 166 A CA 2.079 54.030 52.037 -0.144 0.000 0.623 166 A CB -0.792 18.119 19.000 -0.149 0.000 0.818 166 A HN 0.226 8.376 8.150 -0.000 0.000 0.443 167 S N -0.905 114.886 115.700 0.152 0.000 2.383 167 S HA -0.174 4.299 4.470 0.005 0.000 0.227 167 S C 2.191 176.839 174.600 0.080 0.000 1.026 167 S CA 1.442 59.798 58.200 0.259 0.000 0.981 167 S CB -0.363 63.076 63.200 0.399 0.000 0.818 167 S HN 0.643 8.953 8.310 -0.000 0.000 0.472 168 R N 0.754 121.267 120.500 0.022 0.000 2.080 168 R HA -0.134 4.209 4.340 0.005 0.000 0.236 168 R C 2.570 178.807 176.300 -0.104 0.000 1.137 168 R CA 2.094 58.172 56.100 -0.037 0.000 0.943 168 R CB -0.575 29.703 30.300 -0.036 0.000 0.846 168 R HN 0.537 8.807 8.270 -0.000 0.000 0.431 169 Q N 0.013 119.713 119.800 -0.168 0.000 2.096 169 Q HA -0.191 4.152 4.340 0.005 0.000 0.204 169 Q C 2.103 177.893 176.000 -0.351 0.000 0.982 169 Q CA 1.645 57.289 55.803 -0.265 0.000 0.850 169 Q CB -0.104 28.410 28.738 -0.374 0.000 0.901 169 Q HN 0.370 8.640 8.270 -0.000 0.000 0.422 170 L N 0.395 121.388 121.223 -0.383 0.000 2.017 170 L HA -0.104 4.239 4.340 0.005 0.000 0.208 170 L C 2.212 179.032 176.870 -0.084 0.000 1.073 170 L CA 2.276 56.934 54.840 -0.303 0.000 0.745 170 L CB -0.918 40.989 42.059 -0.253 0.000 0.894 170 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 171 A N -0.685 122.108 122.820 -0.044 0.000 1.902 171 A HA -0.088 4.235 4.320 0.005 0.000 0.217 171 A C 2.438 179.954 177.584 -0.114 0.000 1.181 171 A CA 1.733 53.738 52.037 -0.053 0.000 0.623 171 A CB -1.162 17.756 19.000 -0.136 0.000 0.818 171 A HN 0.557 8.707 8.150 -0.000 0.000 0.443 172 A N 0.434 123.186 122.820 -0.113 0.000 1.940 172 A HA -0.129 4.194 4.320 0.005 0.000 0.219 172 A C 2.513 180.075 177.584 -0.037 0.000 1.176 172 A CA 2.420 54.403 52.037 -0.090 0.000 0.631 172 A CB -1.026 17.929 19.000 -0.076 0.000 0.814 172 A HN 1.071 9.221 8.150 -0.000 0.000 0.446 173 S N -0.718 114.984 115.700 0.004 0.000 2.399 173 S HA -0.115 4.358 4.470 0.005 0.000 0.231 173 S C 1.680 176.313 174.600 0.056 0.000 1.022 173 S CA 1.611 59.864 58.200 0.088 0.000 0.983 173 S CB -0.412 62.945 63.200 0.261 0.000 0.803 173 S HN 0.226 8.536 8.310 -0.000 0.000 0.480 174 L N 1.125 122.363 121.223 0.025 0.000 2.131 174 L HA 0.330 4.673 4.340 0.005 0.000 0.206 174 L C 2.441 179.294 176.870 -0.029 0.000 1.087 174 L CA 1.101 55.947 54.840 0.011 0.000 0.767 174 L CB -0.976 41.092 42.059 0.016 0.000 0.917 174 L HN 0.328 8.558 8.230 -0.000 0.000 0.441 175 L N -1.338 119.836 121.223 -0.083 0.000 2.131 175 L HA -0.185 4.158 4.340 0.005 0.000 0.210 175 L C 2.305 179.158 176.870 -0.029 0.000 1.092 175 L CA 0.818 55.590 54.840 -0.114 0.000 0.759 175 L CB -0.515 41.433 42.059 -0.185 0.000 0.903 175 L HN 0.193 8.423 8.230 -0.000 0.000 0.435 176 S N -0.515 115.178 115.700 -0.011 0.000 2.500 176 S HA -0.117 4.356 4.470 0.005 0.000 0.239 176 S C 1.881 176.493 174.600 0.020 0.000 0.989 176 S CA 1.286 59.492 58.200 0.010 0.000 0.951 176 S CB -0.194 63.016 63.200 0.016 0.000 0.759 176 S HN 0.608 8.918 8.310 -0.000 0.000 0.523 177 S N 0.722 116.434 115.700 0.021 0.000 2.577 177 S HA 0.574 5.047 4.470 0.005 0.000 0.219 177 S C 0.711 175.335 174.600 0.040 0.000 0.962 177 S CA 0.311 58.528 58.200 0.029 0.000 0.921 177 S CB -0.226 62.991 63.200 0.029 0.000 0.789 177 S HN 0.799 9.109 8.310 -0.000 0.000 0.497 178 A N 1.916 124.766 122.820 0.051 0.000 2.475 178 A HA -0.053 4.270 4.320 0.005 0.000 0.295 178 A C -1.778 175.865 177.584 0.099 0.000 1.457 178 A CA 0.178 52.264 52.037 0.082 0.000 0.734 178 A CB -2.436 16.602 19.000 0.063 0.000 1.118 178 A HN 0.607 8.757 8.150 -0.000 0.000 0.400 179 P HA 0.433 4.853 4.420 -0.000 0.000 0.277 179 P C 0.634 178.059 177.300 0.209 0.000 1.240 179 P CA -0.389 62.786 63.100 0.125 0.000 0.798 179 P CB 0.718 32.466 31.700 0.081 0.000 0.979 180 R N 0.300 120.893 120.500 0.155 0.000 2.246 180 R HA 0.137 4.480 4.340 0.005 0.000 0.199 180 R C 0.692 177.104 176.300 0.185 0.000 0.984 180 R CA 0.467 56.650 56.100 0.138 0.000 1.015 180 R CB -0.048 30.297 30.300 0.076 0.000 0.930 180 R HN 0.664 8.934 8.270 -0.000 0.000 0.475 181 S N -0.767 115.059 115.700 0.210 0.000 2.537 181 S HA 0.589 5.062 4.470 0.005 0.000 0.270 181 S C -0.960 173.749 174.600 0.182 0.000 1.142 181 S CA -0.965 57.367 58.200 0.220 0.000 0.870 181 S CB 1.866 65.151 63.200 0.142 0.000 1.112 181 S HN 0.105 8.415 8.310 -0.000 0.000 0.466 182 I N 1.079 121.761 120.570 0.187 0.000 2.752 182 I HA 0.791 4.964 4.170 0.005 0.000 0.295 182 I C -1.213 175.049 176.117 0.240 0.000 1.219 182 I CA -0.732 60.652 61.300 0.140 0.000 1.030 182 I CB 1.896 39.876 38.000 -0.033 0.000 1.259 182 I HN 1.176 9.386 8.210 -0.000 0.000 0.423 183 A N 6.251 129.207 122.820 0.227 0.000 2.469 183 A HA 0.829 5.152 4.320 0.005 0.000 0.299 183 A C -2.048 175.525 177.584 -0.018 0.000 1.098 183 A CA -0.556 51.578 52.037 0.161 0.000 0.737 183 A CB 1.877 20.950 19.000 0.122 0.000 1.312 183 A HN 0.634 8.784 8.150 -0.000 0.000 0.414 184 L N 1.555 122.597 121.223 -0.303 0.000 2.333 184 L HA 0.707 5.050 4.340 0.005 0.000 0.280 184 L C -1.246 175.490 176.870 -0.223 0.000 1.004 184 L CA -0.221 54.281 54.840 -0.564 0.000 0.820 184 L CB 1.020 42.346 42.059 -1.223 0.000 1.247 184 L HN 0.580 8.810 8.230 -0.000 0.000 0.416 185 I N 5.296 125.779 120.570 -0.146 0.000 2.355 185 I HA 0.684 4.857 4.170 0.005 0.000 0.288 185 I C 0.421 176.490 176.117 -0.081 0.000 0.999 185 I CA -0.260 60.995 61.300 -0.075 0.000 1.163 185 I CB 1.446 39.406 38.000 -0.067 0.000 1.316 185 I HN 0.794 9.004 8.210 -0.000 0.000 0.454 186 G N 4.240 112.989 108.800 -0.084 0.000 2.975 186 G HA2 0.912 4.875 3.960 0.005 0.000 0.291 186 G HA3 0.912 4.875 3.960 0.005 0.000 0.291 186 G C -1.834 172.959 174.900 -0.178 0.000 1.334 186 G CA -0.538 44.511 45.100 -0.085 0.000 0.843 186 G HN 0.743 9.033 8.290 -0.000 0.000 0.548 187 A N -1.092 121.524 122.820 -0.339 0.000 2.610 187 A HA 0.777 5.100 4.320 0.005 0.000 0.291 187 A C -0.094 177.105 177.584 -0.643 0.000 1.086 187 A CA -0.475 51.199 52.037 -0.606 0.000 0.677 187 A CB 0.791 19.218 19.000 -0.954 0.000 1.278 187 A HN 1.352 9.502 8.150 -0.000 0.000 0.414 188 R N -0.486 119.747 120.500 -0.444 0.000 3.127 188 R HA -0.142 4.201 4.340 0.005 0.000 0.247 188 R C -1.847 174.398 176.300 -0.091 0.000 0.896 188 R CA 0.606 56.572 56.100 -0.225 0.000 0.624 188 R CB -1.435 28.759 30.300 -0.177 0.000 1.154 188 R HN 0.612 8.882 8.270 -0.000 0.000 0.474 189 P HA -0.242 4.178 4.420 -0.000 0.000 0.221 189 P C 1.236 178.527 177.300 -0.016 0.000 1.145 189 P CA 1.474 64.545 63.100 -0.049 0.000 0.795 189 P CB 0.104 31.770 31.700 -0.057 0.000 0.775 190 E N 0.600 120.794 120.200 -0.010 0.000 2.208 190 E HA -0.089 4.264 4.350 0.005 0.000 0.193 190 E C 0.841 177.456 176.600 0.025 0.000 0.988 190 E CA 0.234 56.638 56.400 0.007 0.000 0.828 190 E CB -0.984 28.720 29.700 0.006 0.000 0.763 190 E HN 0.292 8.652 8.360 -0.000 0.000 0.478 191 L N 1.953 123.204 121.223 0.045 0.000 2.456 191 L HA 0.005 4.348 4.340 0.005 0.000 0.272 191 L C 1.871 178.769 176.870 0.048 0.000 1.189 191 L CA 0.018 54.898 54.840 0.066 0.000 0.846 191 L CB 0.806 42.940 42.059 0.125 0.000 1.111 191 L HN 0.050 8.280 8.230 -0.000 0.000 0.475 192 S N 2.046 117.769 115.700 0.038 0.000 2.383 192 S HA -0.163 4.310 4.470 0.005 0.000 0.229 192 S C 1.714 176.323 174.600 0.015 0.000 1.030 192 S CA 1.630 59.844 58.200 0.024 0.000 1.002 192 S CB -0.010 63.203 63.200 0.022 0.000 0.829 192 S HN 0.564 8.874 8.310 -0.000 0.000 0.467 193 V N 1.009 120.934 119.914 0.017 0.000 2.407 193 V HA -0.097 4.026 4.120 0.005 0.000 0.248 193 V C 2.238 178.313 176.094 -0.033 0.000 1.055 193 V CA 2.553 64.842 62.300 -0.019 0.000 1.049 193 V CB -0.703 31.098 31.823 -0.037 0.000 0.662 193 V HN 0.585 8.775 8.190 -0.000 0.000 0.455 194 S N -0.673 115.046 115.700 0.031 0.000 2.395 194 S HA -0.146 4.327 4.470 0.005 0.000 0.225 194 S C 1.795 176.388 174.600 -0.011 0.000 1.027 194 S CA 1.370 59.588 58.200 0.029 0.000 0.965 194 S CB -0.176 63.076 63.200 0.086 0.000 0.812 194 S HN 0.733 9.043 8.310 -0.000 0.000 0.482 195 Q N 1.013 120.813 119.800 0.001 0.000 2.119 195 Q HA 0.009 4.352 4.340 0.005 0.000 0.201 195 Q C 2.454 178.455 176.000 0.002 0.000 0.972 195 Q CA 1.318 57.122 55.803 0.001 0.000 0.847 195 Q CB -0.345 28.397 28.738 0.007 0.000 0.903 195 Q HN 0.581 8.851 8.270 -0.000 0.000 0.433 196 A N 1.283 124.099 122.820 -0.006 0.000 1.902 196 A HA -0.190 4.133 4.320 0.005 0.000 0.217 196 A C 1.993 179.578 177.584 0.002 0.000 1.181 196 A CA 1.334 53.371 52.037 -0.000 0.000 0.623 196 A CB -0.310 18.686 19.000 -0.006 0.000 0.818 196 A HN 0.198 8.348 8.150 -0.000 0.000 0.443 197 R N -0.627 119.839 120.500 -0.058 0.000 2.090 197 R HA 0.055 4.398 4.340 0.005 0.000 0.228 197 R C 2.441 178.753 176.300 0.021 0.000 1.110 197 R CA 1.036 57.088 56.100 -0.080 0.000 0.973 197 R CB -0.389 29.683 30.300 -0.380 0.000 0.869 197 R HN 0.488 8.758 8.270 -0.000 0.000 0.440 198 A N 0.809 123.628 122.820 -0.002 0.000 1.930 198 A HA -0.037 4.286 4.320 0.005 0.000 0.217 198 A C 2.347 180.002 177.584 0.118 0.000 1.175 198 A CA 1.600 53.657 52.037 0.034 0.000 0.627 198 A CB -0.988 18.003 19.000 -0.014 0.000 0.815 198 A HN 0.443 8.593 8.150 -0.000 0.000 0.443 199 G N -0.441 108.404 108.800 0.076 0.000 2.418 199 G HA2 0.034 3.997 3.960 0.005 0.000 0.217 199 G HA3 0.034 3.997 3.960 0.005 0.000 0.217 199 G C 1.531 176.484 174.900 0.089 0.000 1.158 199 G CA 1.217 46.361 45.100 0.073 0.000 0.771 199 G HN 0.676 8.966 8.290 -0.000 0.000 0.545 200 G N 0.379 109.238 108.800 0.099 0.000 2.418 200 G HA2 -0.201 3.762 3.960 0.005 0.000 0.217 200 G HA3 -0.201 3.762 3.960 0.005 0.000 0.217 200 G C 1.619 176.586 174.900 0.112 0.000 1.158 200 G CA 0.894 46.049 45.100 0.092 0.000 0.771 200 G HN 0.366 8.656 8.290 -0.000 0.000 0.545 201 F N 2.046 122.007 119.950 0.018 0.000 2.095 201 F HA -0.117 4.412 4.527 0.004 0.000 0.298 201 F C 2.265 178.061 175.800 -0.006 0.000 1.104 201 F CA 2.077 60.081 58.000 0.006 0.000 1.232 201 F CB -0.029 38.980 39.000 0.015 0.000 0.987 201 F HN 0.088 8.388 8.300 -0.000 0.000 0.475 202 D N 0.313 120.811 120.400 0.165 0.000 2.117 202 D HA -0.170 4.473 4.640 0.005 0.000 0.197 202 D C 2.149 178.429 176.300 -0.034 0.000 0.987 202 D CA 1.568 55.602 54.000 0.058 0.000 0.829 202 D CB -0.468 40.399 40.800 0.111 0.000 0.961 202 D HN 0.510 8.880 8.370 -0.000 0.000 0.460 203 E N 0.724 120.914 120.200 -0.017 0.000 2.077 203 E HA -0.135 4.218 4.350 0.005 0.000 0.193 203 E C 2.102 178.660 176.600 -0.071 0.000 0.989 203 E CA 1.019 57.401 56.400 -0.030 0.000 0.800 203 E CB -0.066 29.625 29.700 -0.014 0.000 0.746 203 E HN 0.191 8.551 8.360 -0.000 0.000 0.452 204 A N 0.780 123.527 122.820 -0.121 0.000 1.972 204 A HA -0.133 4.190 4.320 0.005 0.000 0.219 204 A C 1.961 179.424 177.584 -0.202 0.000 1.169 204 A CA 1.022 52.961 52.037 -0.163 0.000 0.635 204 A CB -0.201 18.674 19.000 -0.208 0.000 0.810 204 A HN 0.101 8.251 8.150 -0.000 0.000 0.446 205 L N 0.114 121.180 121.223 -0.262 0.000 2.599 205 L HA 0.069 4.412 4.340 0.005 0.000 0.230 205 L C 0.756 177.606 176.870 -0.033 0.000 1.141 205 L CA 0.369 55.079 54.840 -0.217 0.000 0.877 205 L CB -0.338 41.530 42.059 -0.317 0.000 1.009 205 L HN 0.321 8.551 8.230 -0.000 0.000 0.447 206 Q N 0.313 120.092 119.800 -0.034 0.000 2.269 206 Q HA 0.165 4.508 4.340 0.005 0.000 0.300 206 Q C 1.373 177.390 176.000 0.027 0.000 1.070 206 Q CA 1.200 57.005 55.803 0.003 0.000 0.957 206 Q CB 0.246 28.980 28.738 -0.007 0.000 1.131 206 Q HN 0.481 8.751 8.270 -0.000 0.000 0.377 207 G N 2.975 111.798 108.800 0.040 0.000 2.217 207 G HA2 -0.348 3.615 3.960 0.005 0.000 0.246 207 G HA3 -0.348 3.615 3.960 0.005 0.000 0.246 207 G C -0.145 174.796 174.900 0.067 0.000 0.990 207 G CA 0.243 45.366 45.100 0.038 0.000 0.627 207 G HN 0.639 8.929 8.290 -0.000 0.000 0.522 208 Y N 2.679 122.955 120.300 -0.040 0.000 2.511 208 Y HA 0.406 4.959 4.550 0.004 0.000 0.332 208 Y C 1.721 177.608 175.900 -0.022 0.000 1.177 208 Y CA 1.222 59.300 58.100 -0.037 0.000 1.422 208 Y CB 1.175 39.599 38.460 -0.060 0.000 1.271 208 Y HN 0.308 8.588 8.280 -0.000 0.000 0.550 209 T N 1.541 115.717 114.554 -0.631 0.000 3.085 209 T HA 0.397 4.750 4.350 0.005 0.000 0.264 209 T C 0.748 175.086 174.700 -0.603 0.000 1.019 209 T CA 0.091 61.916 62.100 -0.458 0.000 0.910 209 T CB -0.334 68.386 68.868 -0.246 0.000 1.059 209 T HN 0.736 8.976 8.240 -0.000 0.000 0.542 210 G N 0.750 108.776 108.800 -1.290 0.000 2.543 210 G HA2 0.492 4.455 3.960 0.005 0.000 0.290 210 G HA3 0.492 4.455 3.960 0.005 0.000 0.290 210 G C -0.458 174.333 174.900 -0.182 0.000 1.310 210 G CA -0.687 44.010 45.100 -0.671 0.000 1.025 210 G HN 0.240 8.530 8.290 -0.000 0.000 0.502 211 E N -0.687 119.548 120.200 0.059 0.000 2.344 211 E HA 0.298 4.651 4.350 0.005 0.000 0.270 211 E C -0.445 176.306 176.600 0.252 0.000 1.021 211 E CA 0.023 56.499 56.400 0.127 0.000 0.887 211 E CB 1.631 31.393 29.700 0.102 0.000 0.997 211 E HN 0.057 8.417 8.360 -0.000 0.000 0.429 212 V N 4.797 124.835 119.914 0.207 0.000 2.588 212 V HA 0.435 4.558 4.120 0.005 0.000 0.304 212 V C -0.053 176.138 176.094 0.161 0.000 1.042 212 V CA -0.889 61.552 62.300 0.236 0.000 0.877 212 V CB 1.882 33.857 31.823 0.255 0.000 0.996 212 V HN 0.457 8.647 8.190 -0.000 0.000 0.425 213 R N 3.614 124.214 120.500 0.166 0.000 2.686 213 R HA 0.659 5.002 4.340 0.005 0.000 0.286 213 R C -0.889 175.428 176.300 0.029 0.000 0.969 213 R CA -0.794 55.358 56.100 0.086 0.000 0.898 213 R CB 2.557 32.971 30.300 0.190 0.000 1.183 213 R HN 0.654 8.924 8.270 -0.000 0.000 0.456 214 R N 2.303 122.721 120.500 -0.136 0.000 2.435 214 R HA 0.367 4.710 4.340 0.005 0.000 0.308 214 R C -1.076 175.036 176.300 -0.313 0.000 0.975 214 R CA -0.527 55.465 56.100 -0.179 0.000 0.867 214 R CB 1.461 31.674 30.300 -0.144 0.000 1.171 214 R HN 0.479 8.749 8.270 -0.000 0.000 0.470 215 Y N 1.880 122.112 120.300 -0.113 0.000 2.334 215 Y HA 0.249 4.803 4.550 0.006 0.000 0.336 215 Y C 0.134 175.962 175.900 -0.121 0.000 0.960 215 Y CA -0.590 57.452 58.100 -0.097 0.000 1.164 215 Y CB 1.833 40.243 38.460 -0.083 0.000 1.155 215 Y HN 0.209 8.489 8.280 -0.000 0.000 0.478 216 Q N 2.970 122.765 119.800 -0.009 0.000 2.333 216 Q HA 0.456 4.799 4.340 0.005 0.000 0.268 216 Q C 0.098 176.057 176.000 -0.068 0.000 1.007 216 Q CA -0.514 55.248 55.803 -0.068 0.000 0.810 216 Q CB 2.514 31.195 28.738 -0.095 0.000 1.264 216 Q HN 0.930 9.200 8.270 -0.000 0.000 0.452 217 G N 1.323 110.055 108.800 -0.114 0.000 2.532 217 G HA2 0.181 4.144 3.960 0.005 0.000 0.291 217 G HA3 0.181 4.144 3.960 0.005 0.000 0.291 217 G C 0.736 175.538 174.900 -0.164 0.000 1.349 217 G CA -0.318 44.712 45.100 -0.117 0.000 1.038 217 G HN 0.635 8.925 8.290 -0.000 0.000 0.518 218 E N -1.070 119.050 120.200 -0.134 0.000 2.400 218 E HA 0.337 4.690 4.350 0.005 0.000 0.195 218 E C 0.627 177.132 176.600 -0.158 0.000 1.012 218 E CA 0.659 56.986 56.400 -0.123 0.000 0.875 218 E CB 0.396 30.054 29.700 -0.071 0.000 0.859 218 E HN 0.592 8.952 8.360 -0.000 0.000 0.498 219 A N 0.448 123.146 122.820 -0.202 0.000 2.604 219 A HA 0.554 4.877 4.320 0.005 0.000 0.295 219 A C -1.464 175.973 177.584 -0.245 0.000 1.067 219 A CA -0.839 51.085 52.037 -0.189 0.000 0.683 219 A CB 0.404 19.374 19.000 -0.050 0.000 1.281 219 A HN 0.097 8.247 8.150 -0.000 0.000 0.407 220 F N 2.606 122.564 119.950 0.013 0.000 2.652 220 F HA 0.402 4.931 4.527 0.004 0.000 0.352 220 F C 1.223 177.038 175.800 0.025 0.000 1.259 220 F CA 0.820 58.831 58.000 0.019 0.000 1.249 220 F CB 0.275 39.303 39.000 0.047 0.000 1.628 220 F HN 0.548 8.848 8.300 -0.000 0.000 0.654 221 S N 0.909 116.675 115.700 0.110 0.000 2.595 221 S HA 0.461 4.934 4.470 0.005 0.000 0.281 221 S C 0.767 175.389 174.600 0.036 0.000 1.117 221 S CA -1.121 57.125 58.200 0.077 0.000 0.873 221 S CB 2.059 65.286 63.200 0.045 0.000 1.108 221 S HN 0.524 8.834 8.310 -0.000 0.000 0.477 222 R N 0.619 121.138 120.500 0.031 0.000 2.091 222 R HA -0.078 4.265 4.340 0.005 0.000 0.238 222 R C 1.526 177.821 176.300 -0.009 0.000 1.136 222 R CA 1.892 57.995 56.100 0.005 0.000 0.959 222 R CB -0.252 30.059 30.300 0.019 0.000 0.856 222 R HN 0.797 9.067 8.270 -0.000 0.000 0.437 223 E N -0.088 120.110 120.200 -0.003 0.000 2.106 223 E HA -0.180 4.173 4.350 0.005 0.000 0.192 223 E C 2.165 178.748 176.600 -0.028 0.000 0.984 223 E CA 1.164 57.556 56.400 -0.013 0.000 0.806 223 E CB -0.256 29.441 29.700 -0.006 0.000 0.750 223 E HN 0.452 8.812 8.360 -0.000 0.000 0.458 224 C N 0.667 119.948 119.300 -0.031 0.000 2.429 224 C HA -0.049 4.414 4.460 0.005 0.000 0.277 224 C C 2.805 177.757 174.990 -0.064 0.000 1.262 224 C CA 0.973 59.960 59.018 -0.051 0.000 1.733 224 C CB -1.300 26.400 27.740 -0.066 0.000 2.010 224 C HN 0.582 8.812 8.230 -0.000 0.000 0.483 225 G N -0.639 108.125 108.800 -0.060 0.000 2.440 225 G HA2 -0.304 3.659 3.960 0.005 0.000 0.218 225 G HA3 -0.304 3.659 3.960 0.005 0.000 0.218 225 G C 1.572 176.418 174.900 -0.091 0.000 1.154 225 G CA 1.032 46.084 45.100 -0.081 0.000 0.767 225 G HN 0.686 8.976 8.290 -0.000 0.000 0.552 226 Q N 0.014 119.772 119.800 -0.070 0.000 2.050 226 Q HA -0.080 4.263 4.340 0.005 0.000 0.202 226 Q C 2.766 178.720 176.000 -0.076 0.000 0.980 226 Q CA 1.081 56.846 55.803 -0.064 0.000 0.840 226 Q CB -0.092 28.623 28.738 -0.038 0.000 0.898 226 Q HN 0.461 8.731 8.270 -0.000 0.000 0.424 227 R N 0.039 120.496 120.500 -0.071 0.000 2.081 227 R HA -0.042 4.301 4.340 0.005 0.000 0.235 227 R C 1.206 177.432 176.300 -0.125 0.000 1.131 227 R CA 0.581 56.635 56.100 -0.078 0.000 0.960 227 R CB -0.395 29.871 30.300 -0.057 0.000 0.856 227 R HN 0.238 8.508 8.270 -0.000 0.000 0.436 231 Q N 0.954 120.608 119.800 -0.244 0.000 2.124 231 Q HA -0.115 4.228 4.340 0.005 0.000 0.202 231 Q C 1.956 177.732 176.000 -0.374 0.000 0.977 231 Q CA 1.494 57.131 55.803 -0.277 0.000 0.850 231 Q CB 0.033 28.584 28.738 -0.311 0.000 0.901 231 Q HN 0.205 8.475 8.270 -0.000 0.000 0.429 232 L N 0.710 121.576 121.223 -0.595 0.000 2.046 232 L HA -0.145 4.198 4.340 0.005 0.000 0.208 232 L C 1.959 178.756 176.870 -0.120 0.000 1.077 232 L CA 1.611 56.211 54.840 -0.400 0.000 0.747 232 L CB -0.255 41.591 42.059 -0.355 0.000 0.896 232 L HN 0.188 8.418 8.230 -0.000 0.000 0.432 233 I N -0.409 120.091 120.570 -0.116 0.000 2.315 233 I HA -0.261 3.912 4.170 0.005 0.000 0.248 233 I C 2.130 178.230 176.117 -0.027 0.000 1.117 233 I CA 1.619 62.889 61.300 -0.050 0.000 1.404 233 I CB -0.413 37.559 38.000 -0.048 0.000 1.071 233 I HN 0.379 8.589 8.210 -0.000 0.000 0.419 234 D N 0.824 121.200 120.400 -0.040 0.000 2.144 234 D HA -0.259 4.384 4.640 0.005 0.000 0.200 234 D C 1.903 178.211 176.300 0.014 0.000 0.978 234 D CA 1.281 55.273 54.000 -0.013 0.000 0.833 234 D CB 0.005 40.794 40.800 -0.019 0.000 0.961 234 D HN 0.193 8.563 8.370 -0.000 0.000 0.470 235 D N -0.116 120.302 120.400 0.029 0.000 2.084 235 D HA -0.129 4.514 4.640 0.005 0.000 0.194 235 D C 2.027 178.367 176.300 0.066 0.000 0.990 235 D CA 0.915 54.964 54.000 0.082 0.000 0.826 235 D CB -0.239 40.671 40.800 0.183 0.000 0.971 235 D HN 0.309 8.679 8.370 -0.000 0.000 0.453 236 L N -0.654 120.604 121.223 0.059 0.000 2.492 236 L HA 0.161 4.504 4.340 0.005 0.000 0.223 236 L C 1.602 178.494 176.870 0.036 0.000 1.132 236 L CA 0.544 55.416 54.840 0.054 0.000 0.850 236 L CB -0.190 41.904 42.059 0.059 0.000 0.966 236 L HN 0.283 8.513 8.230 -0.000 0.000 0.454 237 G N 0.190 109.005 108.800 0.026 0.000 2.176 237 G HA2 -0.092 3.871 3.960 0.005 0.000 0.252 237 G HA3 -0.092 3.871 3.960 0.005 0.000 0.252 237 G C 0.396 175.306 174.900 0.017 0.000 1.024 237 G CA 0.130 45.241 45.100 0.019 0.000 0.755 237 G HN 0.753 9.043 8.290 -0.000 0.000 0.507 238 G N -2.023 106.786 108.800 0.015 0.000 2.324 238 G HA2 0.519 4.482 3.960 0.005 0.000 0.293 238 G HA3 0.519 4.482 3.960 0.005 0.000 0.293 238 G C -1.024 173.886 174.900 0.016 0.000 1.297 238 G CA -0.417 44.693 45.100 0.015 0.000 0.853 238 G HN 0.943 9.233 8.290 -0.000 0.000 0.535 239 L N 2.464 123.698 121.223 0.019 0.000 2.456 239 L HA 0.402 4.745 4.340 0.005 0.000 0.272 239 L C -1.211 175.680 176.870 0.034 0.000 1.189 239 L CA -1.009 53.843 54.840 0.021 0.000 0.846 239 L CB 0.146 42.220 42.059 0.025 0.000 1.111 239 L HN 0.427 8.657 8.230 -0.000 0.000 0.475 240 P HA 0.096 4.516 4.420 -0.000 0.000 0.274 240 P C -0.287 177.049 177.300 0.059 0.000 1.231 240 P CA -0.365 62.771 63.100 0.060 0.000 0.790 240 P CB 0.858 32.598 31.700 0.067 0.000 0.951 241 D N 0.443 120.885 120.400 0.070 0.000 2.178 241 D HA 0.037 4.680 4.640 0.005 0.000 0.201 241 D C 0.598 176.934 176.300 0.060 0.000 0.980 241 D CA 1.385 55.423 54.000 0.065 0.000 0.842 241 D CB 0.030 40.875 40.800 0.076 0.000 0.948 241 D HN 0.535 8.905 8.370 -0.000 0.000 0.472 242 A N -0.550 122.309 122.820 0.065 0.000 2.515 242 A HA 0.661 4.984 4.320 0.005 0.000 0.298 242 A C -1.841 175.790 177.584 0.078 0.000 1.059 242 A CA -0.572 51.502 52.037 0.061 0.000 0.698 242 A CB 1.640 20.663 19.000 0.040 0.000 1.289 242 A HN 0.063 8.213 8.150 -0.000 0.000 0.404 243 L N 1.572 122.840 121.223 0.076 0.000 2.493 243 L HA 0.731 5.074 4.340 0.005 0.000 0.265 243 L C -1.701 175.217 176.870 0.080 0.000 0.954 243 L CA -0.302 54.580 54.840 0.071 0.000 0.844 243 L CB 2.197 44.267 42.059 0.020 0.000 1.302 243 L HN 0.529 8.759 8.230 -0.000 0.000 0.405 244 V N 2.891 122.862 119.914 0.094 0.000 2.448 244 V HA 0.687 4.810 4.120 0.005 0.000 0.295 244 V C -0.043 176.067 176.094 0.027 0.000 1.025 244 V CA -0.199 62.163 62.300 0.105 0.000 0.859 244 V CB 1.983 33.941 31.823 0.224 0.000 0.988 244 V HN 0.882 9.072 8.190 -0.000 0.000 0.431 245 T N -0.354 114.233 114.554 0.056 0.000 2.824 245 T HA 0.314 4.667 4.350 0.005 0.000 0.280 245 T C 0.931 175.713 174.700 0.137 0.000 0.995 245 T CA 0.104 62.224 62.100 0.035 0.000 1.009 245 T CB 1.469 70.324 68.868 -0.022 0.000 0.955 245 T HN 0.791 9.031 8.240 -0.000 0.000 0.452 246 T N -1.006 113.585 114.554 0.061 0.000 3.148 246 T HA 0.257 4.610 4.350 0.005 0.000 0.253 246 T C 0.601 175.297 174.700 -0.007 0.000 1.134 246 T CA 0.025 62.096 62.100 -0.049 0.000 1.051 246 T CB -0.205 68.590 68.868 -0.121 0.000 0.959 246 T HN 0.749 8.989 8.240 -0.000 0.000 0.525 247 S N -0.832 114.948 115.700 0.133 0.000 2.543 247 S HA 0.355 4.828 4.470 0.005 0.000 0.273 247 S C -0.246 174.450 174.600 0.160 0.000 1.152 247 S CA -0.854 57.429 58.200 0.139 0.000 0.910 247 S CB 1.020 64.309 63.200 0.149 0.000 1.105 247 S HN 0.223 8.533 8.310 -0.000 0.000 0.465 248 Y N 4.645 124.993 120.300 0.079 0.000 2.256 248 Y HA -0.079 4.474 4.550 0.004 0.000 0.288 248 Y C 1.739 177.677 175.900 0.063 0.000 1.155 248 Y CA 2.446 60.587 58.100 0.068 0.000 1.203 248 Y CB -0.222 38.283 38.460 0.074 0.000 0.980 248 Y HN 0.535 8.815 8.280 -0.000 0.000 0.530 249 V N 0.299 120.283 119.914 0.116 0.000 2.407 249 V HA -0.323 3.800 4.120 0.005 0.000 0.248 249 V C 2.351 178.431 176.094 -0.024 0.000 1.055 249 V CA 1.952 64.289 62.300 0.062 0.000 1.049 249 V CB -0.721 31.193 31.823 0.151 0.000 0.662 249 V HN 0.437 8.627 8.190 -0.000 0.000 0.455 250 L N -0.855 120.369 121.223 0.002 0.000 2.093 250 L HA -0.135 4.208 4.340 0.005 0.000 0.208 250 L C 2.416 179.183 176.870 -0.171 0.000 1.085 250 L CA 0.989 55.802 54.840 -0.046 0.000 0.755 250 L CB -0.549 41.512 42.059 0.003 0.000 0.904 250 L HN 0.322 8.552 8.230 -0.000 0.000 0.435 251 L N -0.164 120.896 121.223 -0.272 0.000 2.127 251 L HA -0.239 4.104 4.340 0.005 0.000 0.211 251 L C 2.569 179.089 176.870 -0.584 0.000 1.089 251 L CA 1.710 56.247 54.840 -0.505 0.000 0.757 251 L CB -0.488 41.227 42.059 -0.573 0.000 0.899 251 L HN 0.266 8.496 8.230 -0.000 0.000 0.434 252 Q N -0.822 118.730 119.800 -0.414 0.000 2.096 252 Q HA -0.176 4.167 4.340 0.005 0.000 0.204 252 Q C 2.101 178.065 176.000 -0.060 0.000 0.982 252 Q CA 1.506 57.217 55.803 -0.152 0.000 0.850 252 Q CB -0.612 28.068 28.738 -0.096 0.000 0.901 252 Q HN 0.695 8.965 8.270 -0.000 0.000 0.422 253 G N 0.082 108.822 108.800 -0.099 0.000 2.422 253 G HA2 -0.175 3.788 3.960 0.005 0.000 0.218 253 G HA3 -0.175 3.788 3.960 0.005 0.000 0.218 253 G C 1.503 176.354 174.900 -0.083 0.000 1.140 253 G CA 0.618 45.680 45.100 -0.063 0.000 0.775 253 G HN 0.190 8.480 8.290 -0.000 0.000 0.545 254 V N 0.377 120.187 119.914 -0.174 0.000 2.343 254 V HA -0.131 3.992 4.120 0.005 0.000 0.247 254 V C 2.463 178.498 176.094 -0.098 0.000 1.051 254 V CA 1.517 63.701 62.300 -0.193 0.000 1.036 254 V CB -0.641 30.987 31.823 -0.325 0.000 0.654 254 V HN 0.440 8.630 8.190 -0.000 0.000 0.451 255 F N 0.137 120.051 119.950 -0.060 0.000 2.216 255 F HA -0.191 4.340 4.527 0.006 0.000 0.300 255 F C 2.393 178.176 175.800 -0.028 0.000 1.085 255 F CA 1.124 59.100 58.000 -0.040 0.000 1.326 255 F CB -0.252 38.720 39.000 -0.047 0.000 1.027 255 F HN 0.228 8.528 8.300 -0.000 0.000 0.497 256 D N -0.261 120.225 120.400 0.144 0.000 2.117 256 D HA -0.135 4.508 4.640 0.005 0.000 0.197 256 D C 2.209 178.539 176.300 0.050 0.000 0.987 256 D CA 1.661 55.707 54.000 0.076 0.000 0.829 256 D CB -0.664 40.160 40.800 0.040 0.000 0.961 256 D HN 0.175 8.545 8.370 -0.000 0.000 0.460 257 T N 1.062 115.634 114.554 0.031 0.000 2.777 257 T HA -0.019 4.334 4.350 0.005 0.000 0.266 257 T C 2.212 176.930 174.700 0.030 0.000 1.040 257 T CA 0.408 62.515 62.100 0.012 0.000 1.141 257 T CB -0.165 68.691 68.868 -0.021 0.000 0.868 257 T HN 0.117 8.357 8.240 -0.000 0.000 0.444 258 L N 0.893 122.153 121.223 0.062 0.000 2.131 258 L HA -0.082 4.261 4.340 0.005 0.000 0.210 258 L C 2.985 179.893 176.870 0.064 0.000 1.092 258 L CA 0.999 55.885 54.840 0.077 0.000 0.759 258 L CB -0.503 41.642 42.059 0.143 0.000 0.903 258 L HN 0.203 8.433 8.230 -0.000 0.000 0.435 259 Q N 0.174 120.014 119.800 0.067 0.000 2.226 259 Q HA -0.161 4.182 4.340 0.005 0.000 0.204 259 Q C 2.194 178.211 176.000 0.027 0.000 0.975 259 Q CA 1.630 57.458 55.803 0.043 0.000 0.866 259 Q CB 0.028 28.791 28.738 0.041 0.000 0.915 259 Q HN 0.531 8.801 8.270 -0.000 0.000 0.440 260 A N 0.418 123.253 122.820 0.025 0.000 2.119 260 A HA -0.027 4.296 4.320 0.005 0.000 0.216 260 A C 0.911 178.504 177.584 0.014 0.000 1.152 260 A CA 0.191 52.238 52.037 0.016 0.000 0.708 260 A CB -0.041 18.966 19.000 0.011 0.000 0.805 260 A HN 0.166 8.316 8.150 -0.000 0.000 0.460 261 R N 0.101 120.613 120.500 0.019 0.000 2.560 261 R HA 0.373 4.716 4.340 0.005 0.000 0.270 261 R C -2.600 173.710 176.300 0.017 0.000 1.074 261 R CA -2.009 54.101 56.100 0.017 0.000 1.140 261 R CB -0.184 30.128 30.300 0.020 0.000 1.073 261 R HN 0.056 8.326 8.270 -0.000 0.000 0.527 262 P HA -0.092 4.328 4.420 -0.000 0.000 0.267 262 P C 0.670 177.979 177.300 0.016 0.000 1.201 262 P CA 0.068 63.176 63.100 0.013 0.000 0.775 262 P CB 0.466 32.174 31.700 0.012 0.000 0.854 263 V N 1.032 120.954 119.914 0.013 0.000 2.568 263 V HA -0.207 3.916 4.120 0.005 0.000 0.253 263 V C 1.551 177.655 176.094 0.017 0.000 1.072 263 V CA 1.937 64.245 62.300 0.014 0.000 1.084 263 V CB -0.912 30.917 31.823 0.010 0.000 0.676 263 V HN 0.569 8.759 8.190 -0.000 0.000 0.469 264 D N -0.181 120.228 120.400 0.016 0.000 2.349 264 D HA 0.026 4.669 4.640 0.005 0.000 0.224 264 D C 1.306 177.618 176.300 0.021 0.000 1.029 264 D CA 0.538 54.549 54.000 0.017 0.000 0.879 264 D CB 0.249 41.058 40.800 0.014 0.000 0.906 264 D HN 0.444 8.814 8.370 -0.000 0.000 0.528 265 S N -0.283 115.430 115.700 0.022 0.000 2.581 265 S HA 0.274 4.747 4.470 0.005 0.000 0.245 265 S C 1.050 175.668 174.600 0.031 0.000 1.115 265 S CA -0.431 57.783 58.200 0.024 0.000 1.093 265 S CB 0.557 63.769 63.200 0.020 0.000 0.853 265 S HN 0.141 8.451 8.310 -0.000 0.000 0.479 266 R N 0.505 121.027 120.500 0.037 0.000 2.509 266 R HA 0.233 4.576 4.340 0.005 0.000 0.297 266 R C 0.275 176.611 176.300 0.059 0.000 0.951 266 R CA -0.277 55.854 56.100 0.051 0.000 1.103 266 R CB 0.387 30.720 30.300 0.056 0.000 1.283 266 R HN 0.190 8.460 8.270 -0.000 0.000 0.534 267 Q N 2.611 122.440 119.800 0.048 0.000 2.288 267 Q HA 0.308 4.651 4.340 0.005 0.000 0.258 267 Q C -0.793 175.237 176.000 0.050 0.000 0.957 267 Q CA 0.205 56.038 55.803 0.049 0.000 0.919 267 Q CB 0.873 29.634 28.738 0.039 0.000 1.185 267 Q HN 0.340 8.610 8.270 -0.000 0.000 0.408 268 L N 0.815 122.072 121.223 0.057 0.000 2.794 268 L HA 0.430 4.773 4.340 0.005 0.000 0.261 268 L C -1.160 175.745 176.870 0.058 0.000 0.989 268 L CA -1.177 53.696 54.840 0.054 0.000 0.900 268 L CB 1.630 43.718 42.059 0.050 0.000 1.473 268 L HN 0.259 8.489 8.230 -0.000 0.000 0.414 269 Q N 2.289 122.122 119.800 0.054 0.000 2.286 269 Q HA 0.451 4.794 4.340 0.005 0.000 0.267 269 Q C -1.123 174.913 176.000 0.061 0.000 1.028 269 Q CA -0.022 55.815 55.803 0.056 0.000 0.901 269 Q CB 1.689 30.456 28.738 0.049 0.000 1.183 269 Q HN 0.507 8.777 8.270 -0.000 0.000 0.392 270 L N 1.646 122.910 121.223 0.070 0.000 2.385 270 L HA 0.727 5.070 4.340 0.005 0.000 0.273 270 L C -0.355 176.565 176.870 0.083 0.000 0.990 270 L CA -0.181 54.700 54.840 0.068 0.000 0.821 270 L CB 2.216 44.322 42.059 0.079 0.000 1.279 270 L HN 0.625 8.855 8.230 -0.000 0.000 0.412 271 G N 0.975 109.824 108.800 0.081 0.000 2.620 271 G HA2 0.647 4.610 3.960 0.005 0.000 0.301 271 G HA3 0.647 4.610 3.960 0.005 0.000 0.301 271 G C -1.512 173.447 174.900 0.098 0.000 1.347 271 G CA -0.397 44.763 45.100 0.100 0.000 0.971 271 G HN 0.579 8.869 8.290 -0.000 0.000 0.488 272 T N 0.088 114.704 114.554 0.103 0.000 2.894 272 T HA 0.610 4.963 4.350 0.005 0.000 0.309 272 T C -1.320 173.451 174.700 0.119 0.000 1.208 272 T CA -0.475 61.717 62.100 0.153 0.000 1.016 272 T CB 0.925 69.890 68.868 0.162 0.000 1.192 272 T HN 0.232 8.472 8.240 -0.000 0.000 0.491 273 F N 2.273 122.260 119.950 0.062 0.000 2.382 273 F HA 0.606 5.136 4.527 0.005 0.000 0.331 273 F C 1.564 177.414 175.800 0.083 0.000 1.121 273 F CA 1.300 59.325 58.000 0.042 0.000 1.183 273 F CB 0.832 39.834 39.000 0.004 0.000 1.207 273 F HN 1.076 9.376 8.300 -0.000 0.000 0.555 274 G N 2.071 110.973 108.800 0.170 0.000 2.760 274 G HA2 0.114 4.077 3.960 0.005 0.000 0.246 274 G HA3 0.114 4.077 3.960 0.005 0.000 0.246 274 G C -1.598 173.323 174.900 0.036 0.000 1.359 274 G CA -0.279 44.884 45.100 0.105 0.000 0.861 274 G HN 0.903 9.193 8.290 -0.000 0.000 0.541 275 D N -1.016 119.302 120.400 -0.137 0.000 2.671 275 D HA 0.592 5.235 4.640 0.005 0.000 0.273 275 D C -1.045 174.985 176.300 -0.450 0.000 1.264 275 D CA -0.185 53.705 54.000 -0.184 0.000 0.788 275 D CB 1.511 42.260 40.800 -0.086 0.000 1.324 275 D HN 0.728 9.098 8.370 -0.000 0.000 0.424 276 N N 1.085 119.607 118.700 -0.297 0.000 2.446 276 N HA 0.063 4.806 4.740 0.005 0.000 0.272 276 N C 0.023 175.440 175.510 -0.154 0.000 1.127 276 N CA -0.282 52.607 53.050 -0.269 0.000 0.896 276 N CB 2.040 40.367 38.487 -0.267 0.000 1.658 276 N HN 0.530 8.910 8.380 -0.000 0.000 0.483 277 Q N 2.561 122.282 119.800 -0.132 0.000 2.061 277 Q HA -0.081 4.262 4.340 0.005 0.000 0.204 277 Q C 1.263 177.052 176.000 -0.352 0.000 0.984 277 Q CA 1.328 57.024 55.803 -0.177 0.000 0.846 277 Q CB 0.141 28.848 28.738 -0.051 0.000 0.902 277 Q HN 0.698 8.968 8.270 -0.000 0.000 0.421 278 L N 0.786 121.913 121.223 -0.159 0.000 2.265 278 L HA -0.191 4.152 4.340 0.005 0.000 0.215 278 L C 2.426 179.155 176.870 -0.236 0.000 1.117 278 L CA 0.665 55.434 54.840 -0.117 0.000 0.782 278 L CB -0.558 41.563 42.059 0.104 0.000 0.914 278 L HN 0.372 8.602 8.230 -0.000 0.000 0.441 279 L N -0.286 120.837 121.223 -0.166 0.000 2.197 279 L HA -0.283 4.060 4.340 0.005 0.000 0.215 279 L C 2.038 178.784 176.870 -0.207 0.000 1.095 279 L CA 1.129 55.908 54.840 -0.102 0.000 0.764 279 L CB -0.580 41.476 42.059 -0.006 0.000 0.897 279 L HN 0.343 8.573 8.230 -0.000 0.000 0.436 280 D N -0.384 119.740 120.400 -0.461 0.000 2.224 280 D HA -0.115 4.528 4.640 0.005 0.000 0.205 280 D C 1.912 178.016 176.300 -0.327 0.000 0.965 280 D CA 1.320 55.031 54.000 -0.482 0.000 0.852 280 D CB 0.015 40.398 40.800 -0.695 0.000 0.947 280 D HN 0.417 8.787 8.370 -0.000 0.000 0.494 281 F N -0.046 119.896 119.950 -0.013 0.000 2.714 281 F HA 0.164 4.692 4.527 0.002 0.000 0.294 281 F C 0.767 176.553 175.800 -0.024 0.000 1.120 281 F CA -0.735 57.254 58.000 -0.018 0.000 1.398 281 F CB 0.086 39.074 39.000 -0.021 0.000 1.120 281 F HN -0.248 8.052 8.300 -0.000 0.000 0.589 282 L N 3.176 124.445 121.223 0.077 0.000 2.490 282 L HA 0.037 4.380 4.340 0.005 0.000 0.274 282 L C -0.901 175.989 176.870 0.033 0.000 1.201 282 L CA -1.042 53.816 54.840 0.029 0.000 0.869 282 L CB -0.054 41.986 42.059 -0.030 0.000 1.123 282 L HN -0.172 8.058 8.230 -0.000 0.000 0.484 283 P HA -0.142 4.278 4.420 -0.000 0.000 0.221 283 P C 0.090 177.406 177.300 0.027 0.000 1.145 283 P CA 0.752 63.868 63.100 0.027 0.000 0.795 283 P CB 0.235 31.947 31.700 0.020 0.000 0.775 284 L N 2.672 123.912 121.223 0.029 0.000 2.262 284 L HA 0.459 4.802 4.340 0.005 0.000 0.288 284 L C -2.510 174.393 176.870 0.054 0.000 1.035 284 L CA -2.714 52.155 54.840 0.049 0.000 0.820 284 L CB 0.898 43.001 42.059 0.074 0.000 1.204 284 L HN -0.221 8.009 8.230 -0.000 0.000 0.424 285 P HA 0.142 4.562 4.420 -0.000 0.000 0.276 285 P C -1.189 176.150 177.300 0.064 0.000 1.230 285 P CA -0.118 63.003 63.100 0.034 0.000 0.776 285 P CB 1.375 33.084 31.700 0.014 0.000 0.888 286 V N 3.868 123.824 119.914 0.070 0.000 2.444 286 V HA 0.216 4.340 4.120 0.005 0.000 0.294 286 V C 0.193 176.331 176.094 0.074 0.000 1.022 286 V CA -0.807 61.556 62.300 0.105 0.000 0.850 286 V CB 1.315 33.250 31.823 0.186 0.000 0.992 286 V HN 0.459 8.649 8.190 -0.000 0.000 0.426 287 N N 3.305 122.057 118.700 0.086 0.000 2.492 287 N HA 0.624 5.367 4.740 0.005 0.000 0.262 287 N C 0.044 175.647 175.510 0.154 0.000 1.202 287 N CA 0.256 53.378 53.050 0.120 0.000 0.926 287 N CB 1.621 40.247 38.487 0.233 0.000 1.078 287 N HN 0.947 9.327 8.380 -0.000 0.000 0.454 291 Q N 0.771 120.404 119.800 -0.279 0.000 2.352 291 Q HA 0.262 4.605 4.340 0.005 0.000 0.260 291 Q C -0.224 175.449 176.000 -0.546 0.000 0.976 291 Q CA -0.037 55.505 55.803 -0.435 0.000 0.881 291 Q CB 0.544 28.917 28.738 -0.607 0.000 1.235 291 Q HN 0.671 8.941 8.270 -0.000 0.000 0.419 292 Q N 2.825 122.430 119.800 -0.326 0.000 2.837 292 Q HA 0.011 4.354 4.340 0.005 0.000 0.235 292 Q C 0.064 175.946 176.000 -0.196 0.000 1.348 292 Q CA -0.091 55.584 55.803 -0.215 0.000 0.990 292 Q CB 0.162 28.831 28.738 -0.115 0.000 1.570 292 Q HN 0.742 9.012 8.270 -0.000 0.000 0.575 293 H N 0.634 119.672 119.070 -0.053 0.000 2.353 293 H HA -0.181 4.378 4.556 0.005 0.000 0.298 293 H C 2.149 177.437 175.328 -0.067 0.000 1.103 293 H CA 1.632 57.644 56.048 -0.060 0.000 1.293 293 H CB 0.141 29.871 29.762 -0.053 0.000 1.372 293 H HN 0.663 8.943 8.280 -0.000 0.000 0.501 294 G N 0.114 108.948 108.800 0.056 0.000 2.421 294 G HA2 -0.347 3.616 3.960 0.005 0.000 0.216 294 G HA3 -0.347 3.616 3.960 0.005 0.000 0.216 294 G C 1.701 176.581 174.900 -0.034 0.000 1.171 294 G CA 1.021 46.123 45.100 0.003 0.000 0.775 294 G HN 0.315 8.605 8.290 -0.000 0.000 0.543 295 Q N 0.502 120.277 119.800 -0.041 0.000 2.084 295 Q HA 0.014 4.357 4.340 0.005 0.000 0.202 295 Q C 2.433 178.390 176.000 -0.072 0.000 0.978 295 Q CA 1.215 56.986 55.803 -0.054 0.000 0.844 295 Q CB -0.440 28.269 28.738 -0.050 0.000 0.898 295 Q HN 0.564 8.834 8.270 -0.000 0.000 0.426 296 I N 0.124 120.648 120.570 -0.076 0.000 2.208 296 I HA -0.305 3.868 4.170 0.005 0.000 0.245 296 I C 2.185 178.216 176.117 -0.144 0.000 1.097 296 I CA 1.078 62.321 61.300 -0.095 0.000 1.363 296 I CB -0.528 37.423 38.000 -0.081 0.000 1.051 296 I HN 0.316 8.526 8.210 -0.000 0.000 0.413 297 A N 0.683 123.418 122.820 -0.143 0.000 1.873 297 A HA -0.131 4.192 4.320 0.005 0.000 0.215 297 A C 2.561 180.025 177.584 -0.199 0.000 1.186 297 A CA 1.754 53.660 52.037 -0.218 0.000 0.616 297 A CB -0.852 18.050 19.000 -0.163 0.000 0.823 297 A HN 0.419 8.569 8.150 -0.000 0.000 0.442 298 A N -0.926 121.817 122.820 -0.127 0.000 1.883 298 A HA -0.112 4.211 4.320 0.005 0.000 0.217 298 A C 2.328 179.844 177.584 -0.112 0.000 1.186 298 A CA 2.423 54.399 52.037 -0.101 0.000 0.624 298 A CB -1.350 17.609 19.000 -0.069 0.000 0.822 298 A HN 0.433 8.583 8.150 -0.000 0.000 0.444 299 T N 0.234 114.714 114.554 -0.123 0.000 2.708 299 T HA 0.000 4.353 4.350 0.005 0.000 0.266 299 T C 2.232 176.829 174.700 -0.170 0.000 1.037 299 T CA 1.609 63.618 62.100 -0.151 0.000 1.146 299 T CB -0.477 68.300 68.868 -0.151 0.000 0.865 299 T HN 0.600 8.840 8.240 -0.000 0.000 0.435 300 A N 1.023 123.740 122.820 -0.172 0.000 1.933 300 A HA -0.008 4.315 4.320 0.005 0.000 0.218 300 A C 2.222 179.795 177.584 -0.017 0.000 1.175 300 A CA 1.163 53.118 52.037 -0.137 0.000 0.628 300 A CB -0.723 18.092 19.000 -0.309 0.000 0.814 300 A HN 0.382 8.532 8.150 -0.000 0.000 0.444 301 L N 0.091 121.248 121.223 -0.111 0.000 2.027 301 L HA -0.111 4.232 4.340 0.005 0.000 0.206 301 L C 2.353 179.212 176.870 -0.019 0.000 1.074 301 L CA 2.522 57.352 54.840 -0.017 0.000 0.745 301 L CB -0.669 41.338 42.059 -0.087 0.000 0.898 301 L HN 0.623 8.853 8.230 -0.000 0.000 0.433 302 E N -0.428 119.736 120.200 -0.060 0.000 2.070 302 E HA -0.260 4.093 4.350 0.005 0.000 0.197 302 E C 2.178 178.742 176.600 -0.060 0.000 1.004 302 E CA 1.847 58.211 56.400 -0.061 0.000 0.805 302 E CB -0.255 29.397 29.700 -0.079 0.000 0.744 302 E HN 0.587 8.947 8.360 -0.000 0.000 0.451 303 L N 0.290 121.466 121.223 -0.077 0.000 2.141 303 L HA -0.124 4.219 4.340 0.005 0.000 0.209 303 L C 2.695 179.558 176.870 -0.012 0.000 1.094 303 L CA 0.889 55.685 54.840 -0.073 0.000 0.763 303 L CB -0.454 41.528 42.059 -0.128 0.000 0.908 303 L HN 0.206 8.436 8.230 -0.000 0.000 0.437 304 A N 0.483 123.307 122.820 0.007 0.000 1.855 304 A HA -0.116 4.207 4.320 0.005 0.000 0.215 304 A C 2.235 179.756 177.584 -0.105 0.000 1.191 304 A CA 1.268 53.267 52.037 -0.063 0.000 0.613 304 A CB -0.639 18.306 19.000 -0.092 0.000 0.829 304 A HN 0.335 8.485 8.150 -0.000 0.000 0.442 305 L N -0.744 120.412 121.223 -0.113 0.000 2.093 305 L HA -0.148 4.195 4.340 0.005 0.000 0.208 305 L C 3.040 179.896 176.870 -0.023 0.000 1.085 305 L CA 1.011 55.784 54.840 -0.110 0.000 0.755 305 L CB -0.712 41.291 42.059 -0.093 0.000 0.904 305 L HN 0.426 8.656 8.230 -0.000 0.000 0.435 306 A N 0.269 123.083 122.820 -0.009 0.000 1.972 306 A HA -0.137 4.186 4.320 0.005 0.000 0.219 306 A C 2.524 180.134 177.584 0.043 0.000 1.169 306 A CA 1.767 53.814 52.037 0.017 0.000 0.635 306 A CB -0.502 18.501 19.000 0.004 0.000 0.810 306 A HN 0.417 8.567 8.150 -0.000 0.000 0.446 307 A N -0.025 122.826 122.820 0.052 0.000 1.855 307 A HA 0.037 4.360 4.320 0.005 0.000 0.213 307 A C 2.096 179.714 177.584 0.057 0.000 1.195 307 A CA 1.299 53.391 52.037 0.092 0.000 0.610 307 A CB -0.556 18.538 19.000 0.156 0.000 0.837 307 A HN 0.449 8.599 8.150 -0.000 0.000 0.444 308 I N -0.312 120.270 120.570 0.020 0.000 2.179 308 I HA -0.267 3.906 4.170 0.005 0.000 0.242 308 I C 2.433 178.631 176.117 0.134 0.000 1.088 308 I CA 1.871 63.195 61.300 0.040 0.000 1.357 308 I CB -0.350 37.620 38.000 -0.050 0.000 1.051 308 I HN 0.432 8.642 8.210 -0.000 0.000 0.409 309 E N 0.023 120.293 120.200 0.116 0.000 2.216 309 E HA -0.071 4.282 4.350 0.005 0.000 0.192 309 E C 1.285 177.943 176.600 0.097 0.000 0.973 309 E CA 0.544 57.032 56.400 0.146 0.000 0.851 309 E CB 0.205 29.988 29.700 0.138 0.000 0.804 309 E HN 0.413 8.773 8.360 -0.000 0.000 0.477 310 E N 0.342 120.586 120.200 0.073 0.000 2.538 310 E HA 0.091 4.444 4.350 0.005 0.000 0.207 310 E C 0.141 176.774 176.600 0.056 0.000 1.002 310 E CA -0.116 56.318 56.400 0.057 0.000 0.952 310 E CB 0.543 30.270 29.700 0.045 0.000 1.031 310 E HN 0.033 8.393 8.360 -0.000 0.000 0.476 311 K N 1.330 121.769 120.400 0.065 0.000 3.445 311 K HA -0.310 4.013 4.320 0.005 0.000 0.316 311 K C -0.186 176.461 176.600 0.078 0.000 1.278 311 K CA 1.293 57.617 56.287 0.062 0.000 0.976 311 K CB -1.008 31.519 32.500 0.046 0.000 1.238 311 K HN 0.276 8.526 8.250 -0.000 0.000 0.430 312 R N 0.143 120.691 120.500 0.080 0.000 2.389 312 R HA 0.260 4.603 4.340 0.005 0.000 0.295 312 R C -0.832 175.559 176.300 0.151 0.000 1.075 312 R CA -0.364 55.790 56.100 0.091 0.000 1.005 312 R CB 0.499 30.832 30.300 0.055 0.000 0.987 312 R HN 0.233 8.503 8.270 -0.000 0.000 0.452 313 Y N 1.807 122.112 120.300 0.008 0.000 2.307 313 Y HA 0.266 4.819 4.550 0.005 0.000 0.323 313 Y C -1.551 174.360 175.900 0.018 0.000 1.100 313 Y CA -0.673 57.433 58.100 0.011 0.000 1.140 313 Y CB 2.009 40.468 38.460 -0.002 0.000 1.159 313 Y HN 0.780 9.060 8.280 -0.000 0.000 0.436 314 E N 8.117 128.160 120.200 -0.262 0.000 2.141 314 E HA 0.333 4.686 4.350 0.005 0.000 0.259 314 E C -2.586 173.872 176.600 -0.236 0.000 0.883 314 E CA -2.165 54.145 56.400 -0.150 0.000 0.744 314 E CB 1.412 31.078 29.700 -0.057 0.000 1.150 314 E HN 0.425 8.785 8.360 -0.000 0.000 0.420 315 P HA 0.194 4.614 4.420 -0.000 0.000 0.270 315 P C 0.107 177.362 177.300 -0.075 0.000 1.227 315 P CA 0.146 63.193 63.100 -0.089 0.000 0.788 315 P CB 0.668 32.375 31.700 0.012 0.000 0.926 316 G N -1.347 107.425 108.800 -0.046 0.000 2.353 316 G HA2 0.170 4.133 3.960 0.005 0.000 0.424 316 G HA3 0.170 4.133 3.960 0.005 0.000 0.424 316 G C -1.824 173.021 174.900 -0.091 0.000 1.320 316 G CA -0.809 44.236 45.100 -0.091 0.000 0.995 316 G HN 0.442 8.732 8.290 -0.000 0.000 0.580 317 V N 1.634 121.456 119.914 -0.153 0.000 2.417 317 V HA 0.525 4.648 4.120 0.005 0.000 0.291 317 V C -0.394 175.564 176.094 -0.226 0.000 1.024 317 V CA -0.806 61.434 62.300 -0.101 0.000 0.861 317 V CB 1.558 33.352 31.823 -0.048 0.000 0.985 317 V HN 0.710 8.900 8.190 -0.000 0.000 0.436 318 H N 3.948 123.001 119.070 -0.028 0.000 2.685 318 H HA 0.550 5.109 4.556 0.005 0.000 0.286 318 H C 0.163 175.474 175.328 -0.028 0.000 1.102 318 H CA -0.219 55.810 56.048 -0.031 0.000 1.254 318 H CB 1.598 31.337 29.762 -0.039 0.000 1.397 318 H HN 0.745 9.025 8.280 -0.000 0.000 0.473 319 A N 3.888 126.734 122.820 0.044 0.000 2.328 319 A HA 0.454 4.777 4.320 0.005 0.000 0.284 319 A C 0.077 177.672 177.584 0.018 0.000 1.160 319 A CA -0.523 51.528 52.037 0.023 0.000 0.818 319 A CB 0.587 19.587 19.000 0.001 0.000 1.087 319 A HN 0.452 8.602 8.150 -0.000 0.000 0.504 320 V N 2.503 122.420 119.914 0.003 0.000 2.448 320 V HA 0.576 4.699 4.120 0.005 0.000 0.295 320 V C 1.054 177.133 176.094 -0.025 0.000 1.025 320 V CA -0.313 61.979 62.300 -0.014 0.000 0.859 320 V CB 1.438 33.243 31.823 -0.030 0.000 0.988 320 V HN 1.171 9.361 8.190 -0.000 0.000 0.431 321 G N 3.975 112.758 108.800 -0.027 0.000 2.594 321 G HA2 0.342 4.305 3.960 0.005 0.000 0.243 321 G HA3 0.342 4.305 3.960 0.005 0.000 0.243 321 G C -0.068 174.801 174.900 -0.052 0.000 1.229 321 G CA -0.392 44.688 45.100 -0.034 0.000 0.843 321 G HN 0.660 8.950 8.290 -0.000 0.000 0.578 322 R N -0.468 119.995 120.500 -0.062 0.000 2.573 322 R HA 0.402 4.745 4.340 0.005 0.000 0.272 322 R C -0.323 175.939 176.300 -0.062 0.000 1.009 322 R CA -0.470 55.579 56.100 -0.086 0.000 1.059 322 R CB 1.136 31.363 30.300 -0.121 0.000 1.112 322 R HN 0.439 8.709 8.270 -0.000 0.000 0.517 323 T N 2.461 116.982 114.554 -0.055 0.000 2.733 323 T HA 0.176 4.529 4.350 0.005 0.000 0.294 323 T C -0.732 174.010 174.700 0.069 0.000 0.956 323 T CA -0.257 61.841 62.100 -0.004 0.000 0.987 323 T CB 0.178 69.030 68.868 -0.026 0.000 0.920 323 T HN 0.197 8.437 8.240 -0.000 0.000 0.470 324 F N 5.166 125.057 119.950 -0.098 0.000 2.438 324 F HA 0.328 4.859 4.527 0.006 0.000 0.360 324 F C 0.315 176.067 175.800 -0.080 0.000 1.118 324 F CA -1.722 56.218 58.000 -0.101 0.000 1.164 324 F CB 0.336 39.283 39.000 -0.089 0.000 1.131 324 F HN 0.213 8.513 8.300 -0.000 0.000 0.527 325 K N 6.355 126.742 120.400 -0.023 0.000 2.231 325 K HA 0.093 4.416 4.320 0.005 0.000 0.275 325 K C -0.231 176.083 176.600 -0.475 0.000 1.105 325 K CA -0.162 55.992 56.287 -0.221 0.000 0.931 325 K CB 0.671 33.116 32.500 -0.092 0.000 1.296 325 K HN 0.695 8.945 8.250 -0.000 0.000 0.446 326 Q N 3.817 123.160 119.800 -0.762 0.000 2.566 326 Q HA 0.096 4.439 4.340 0.005 0.000 0.221 326 Q C 0.409 176.214 176.000 -0.326 0.000 1.195 326 Q CA -0.062 55.290 55.803 -0.753 0.000 0.967 326 Q CB 0.292 28.489 28.738 -0.902 0.000 1.337 326 Q HN 0.350 8.620 8.270 -0.000 0.000 0.553 327 R N 2.303 122.683 120.500 -0.199 0.000 2.200 327 R HA 0.154 4.497 4.340 0.005 0.000 0.208 327 R C 0.201 176.458 176.300 -0.071 0.000 1.033 327 R CA 0.337 56.371 56.100 -0.111 0.000 1.000 327 R CB 0.311 30.569 30.300 -0.070 0.000 0.906 327 R HN 0.507 8.777 8.270 -0.000 0.000 0.462 328 I N 2.087 122.621 120.570 -0.060 0.000 2.379 328 I HA 0.007 4.180 4.170 0.005 0.000 0.290 328 I C 0.518 176.615 176.117 -0.034 0.000 1.063 328 I CA -0.035 61.251 61.300 -0.024 0.000 1.351 328 I CB 1.243 39.249 38.000 0.009 0.000 1.410 328 I HN 0.015 8.225 8.210 -0.000 0.000 0.505 329 S N 0.000 115.686 115.700 -0.024 0.000 2.498 329 S HA 0.000 4.473 4.470 0.005 0.000 0.327 329 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 329 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 329 S HN 0.000 8.310 8.310 -0.000 0.000 0.517