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 2awj_1_A DATA FIRST_RESID 3 DATA SEQUENCE KGEELFTGVV PILVELDGDV NGHKFSVSGE GEGDATYGKL TLKFICTTGK DATA SEQUENCE LPVPWPTLVT TLTYGVQCFS RYPDHMKQHD FFKSAMPEGY VQEMTISFKD DATA SEQUENCE DGNYKTRAEV KFEGDTLVNR IELKGIDFKE DGNILGHKLE YNYNSHNVYI DATA SEQUENCE TADKQKNGIK ANFKIRHNIE DGSVQLADHY QQNTPIGDGP VLLPDNHYLS DATA SEQUENCE TQSALSKDPN EKRDHMVLLE FVTAAGI 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 3 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 3 K C 0.000 176.581 176.600 -0.032 0.000 0.988 3 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 3 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 4 G N 2.450 111.238 108.800 -0.021 0.000 2.471 4 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.219 4 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.219 4 G C 0.865 175.851 174.900 0.143 0.000 1.125 4 G CA 1.049 46.172 45.100 0.038 0.000 0.775 4 G HN 0.786 9.076 8.290 -0.000 0.000 0.548 5 E N 0.906 121.149 120.200 0.072 0.000 2.204 5 E HA -0.147 4.201 4.350 -0.003 0.000 0.195 5 E C 1.794 178.485 176.600 0.152 0.000 0.990 5 E CA 1.189 57.656 56.400 0.112 0.000 0.821 5 E CB -0.370 29.322 29.700 -0.014 0.000 0.750 5 E HN 0.552 8.912 8.360 -0.000 0.000 0.477 6 E N 0.820 121.054 120.200 0.058 0.000 2.265 6 E HA -0.106 4.242 4.350 -0.003 0.000 0.196 6 E C 1.901 178.483 176.600 -0.029 0.000 0.996 6 E CA 0.795 57.201 56.400 0.010 0.000 0.832 6 E CB -0.107 29.574 29.700 -0.032 0.000 0.756 6 E HN 0.405 8.765 8.360 -0.000 0.000 0.491 7 L N -0.462 120.714 121.223 -0.079 0.000 2.552 7 L HA 0.001 4.339 4.340 -0.003 0.000 0.227 7 L C 0.941 177.566 176.870 -0.407 0.000 1.146 7 L CA 0.441 55.071 54.840 -0.350 0.000 0.858 7 L CB 0.094 41.736 42.059 -0.694 0.000 0.969 7 L HN 0.104 8.334 8.230 -0.000 0.000 0.451 8 F N -1.412 118.546 119.950 0.014 0.000 2.654 8 F HA 0.055 4.579 4.527 -0.004 0.000 0.303 8 F C 2.167 178.006 175.800 0.064 0.000 1.099 8 F CA 0.073 58.112 58.000 0.065 0.000 1.270 8 F CB -0.089 38.912 39.000 0.001 0.000 1.024 8 F HN -0.010 8.290 8.300 -0.000 0.000 0.548 9 T N -2.676 111.964 114.554 0.143 0.000 3.035 9 T HA 0.237 4.585 4.350 -0.003 0.000 0.268 9 T C 1.166 175.925 174.700 0.097 0.000 1.109 9 T CA 0.775 62.933 62.100 0.096 0.000 1.119 9 T CB -0.161 68.736 68.868 0.048 0.000 0.900 9 T HN 0.207 8.447 8.240 -0.000 0.000 0.503 10 G N 0.358 109.226 108.800 0.113 0.000 3.211 10 G HA2 0.564 4.522 3.960 -0.003 0.000 0.262 10 G HA3 0.564 4.522 3.960 -0.003 0.000 0.262 10 G C -1.150 173.847 174.900 0.161 0.000 1.352 10 G CA -0.790 44.382 45.100 0.119 0.000 1.004 10 G HN 0.193 8.483 8.290 -0.000 0.000 0.559 11 V N 0.274 120.266 119.914 0.130 0.000 2.508 11 V HA 0.365 4.483 4.120 -0.003 0.000 0.281 11 V C -0.045 176.113 176.094 0.108 0.000 1.041 11 V CA -0.223 62.148 62.300 0.117 0.000 1.016 11 V CB 0.966 32.829 31.823 0.066 0.000 0.984 11 V HN 0.382 8.572 8.190 -0.000 0.000 0.478 12 V N 7.714 127.710 119.914 0.137 0.000 2.448 12 V HA 0.419 4.537 4.120 -0.003 0.000 0.295 12 V C -2.249 173.868 176.094 0.039 0.000 1.025 12 V CA -1.906 60.488 62.300 0.156 0.000 0.859 12 V CB 2.061 34.103 31.823 0.365 0.000 0.988 12 V HN 0.740 8.930 8.190 -0.000 0.000 0.431 13 P HA 0.434 4.854 4.420 -0.000 0.000 0.275 13 P C -0.878 176.390 177.300 -0.053 0.000 1.228 13 P CA -0.076 63.000 63.100 -0.040 0.000 0.786 13 P CB 0.988 32.675 31.700 -0.021 0.000 0.927 14 I N 2.290 122.800 120.570 -0.100 0.000 2.509 14 I HA 0.406 4.574 4.170 -0.003 0.000 0.293 14 I C -0.213 175.856 176.117 -0.080 0.000 1.020 14 I CA -0.868 60.378 61.300 -0.089 0.000 1.088 14 I CB 1.718 39.635 38.000 -0.138 0.000 1.267 14 I HN 0.050 8.260 8.210 -0.000 0.000 0.430 15 L N 6.353 127.549 121.223 -0.045 0.000 2.385 15 L HA 0.685 5.023 4.340 -0.003 0.000 0.273 15 L C -0.947 175.935 176.870 0.020 0.000 0.990 15 L CA -0.915 53.909 54.840 -0.027 0.000 0.821 15 L CB 2.174 44.223 42.059 -0.017 0.000 1.279 15 L HN 0.233 8.463 8.230 -0.000 0.000 0.412 16 V N 2.085 122.033 119.914 0.056 0.000 2.540 16 V HA 0.529 4.648 4.120 -0.003 0.000 0.302 16 V C -0.582 175.602 176.094 0.150 0.000 1.035 16 V CA -0.620 61.768 62.300 0.146 0.000 0.873 16 V CB 2.152 34.160 31.823 0.307 0.000 0.992 16 V HN 0.640 8.830 8.190 -0.000 0.000 0.428 17 E N 3.920 124.194 120.200 0.124 0.000 2.241 17 E HA 0.540 4.888 4.350 -0.003 0.000 0.263 17 E C -1.530 175.122 176.600 0.087 0.000 0.882 17 E CA -0.656 55.806 56.400 0.103 0.000 0.769 17 E CB 2.918 32.656 29.700 0.063 0.000 1.185 17 E HN 0.505 8.865 8.360 -0.000 0.000 0.415 18 L N 2.614 123.888 121.223 0.084 0.000 2.385 18 L HA 0.526 4.864 4.340 -0.003 0.000 0.273 18 L C -1.254 175.578 176.870 -0.064 0.000 0.990 18 L CA -0.374 54.480 54.840 0.023 0.000 0.821 18 L CB 1.609 43.701 42.059 0.055 0.000 1.279 18 L HN 0.166 8.396 8.230 -0.000 0.000 0.412 19 D N 3.797 124.115 120.400 -0.136 0.000 2.344 19 D HA 0.704 5.343 4.640 -0.003 0.000 0.239 19 D C -0.218 175.828 176.300 -0.423 0.000 1.064 19 D CA 0.070 53.926 54.000 -0.240 0.000 0.829 19 D CB 2.027 42.741 40.800 -0.143 0.000 1.129 19 D HN 0.810 9.180 8.370 -0.000 0.000 0.506 20 G N 0.629 108.927 108.800 -0.837 0.000 2.569 20 G HA2 0.519 4.477 3.960 -0.003 0.000 0.300 20 G HA3 0.519 4.477 3.960 -0.003 0.000 0.300 20 G C -1.396 173.084 174.900 -0.700 0.000 1.269 20 G CA -0.503 43.969 45.100 -1.046 0.000 0.959 20 G HN 0.296 8.586 8.290 -0.000 0.000 0.478 21 D N 0.032 120.239 120.400 -0.321 0.000 2.616 21 D HA 0.365 5.004 4.640 -0.003 0.000 0.238 21 D C -1.276 175.072 176.300 0.081 0.000 1.354 21 D CA -0.261 53.706 54.000 -0.055 0.000 0.970 21 D CB 1.885 42.659 40.800 -0.044 0.000 1.369 21 D HN 0.187 8.557 8.370 -0.000 0.000 0.585 22 V N 4.572 124.609 119.914 0.205 0.000 2.350 22 V HA 0.316 4.434 4.120 -0.003 0.000 0.285 22 V C 0.312 176.554 176.094 0.248 0.000 1.014 22 V CA -0.811 61.611 62.300 0.203 0.000 0.831 22 V CB 1.096 32.960 31.823 0.068 0.000 1.000 22 V HN 0.663 8.853 8.190 -0.000 0.000 0.433 23 N N 4.061 122.903 118.700 0.237 0.000 2.710 23 N HA -0.223 4.515 4.740 -0.003 0.000 0.249 23 N C 1.224 176.745 175.510 0.018 0.000 1.059 23 N CA 1.797 54.953 53.050 0.177 0.000 0.720 23 N CB -1.060 37.573 38.487 0.242 0.000 0.983 23 N HN 1.469 9.849 8.380 -0.000 0.000 0.544 24 G N -2.164 106.639 108.800 0.006 0.000 2.179 24 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.260 24 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.260 24 G C -0.175 174.630 174.900 -0.159 0.000 0.977 24 G CA 0.469 45.518 45.100 -0.086 0.000 0.641 24 G HN 0.740 9.030 8.290 -0.000 0.000 0.533 25 H N 1.419 120.522 119.070 0.055 0.000 2.944 25 H HA 0.490 5.044 4.556 -0.003 0.000 0.278 25 H C 0.697 176.109 175.328 0.140 0.000 1.083 25 H CA 0.318 56.410 56.048 0.073 0.000 1.479 25 H CB 0.590 30.379 29.762 0.045 0.000 1.486 25 H HN 0.296 8.576 8.280 -0.000 0.000 0.493 26 K N 3.917 124.425 120.400 0.181 0.000 2.110 26 K HA 0.465 4.783 4.320 -0.003 0.000 0.263 26 K C -0.790 175.941 176.600 0.219 0.000 0.975 26 K CA -0.701 55.655 56.287 0.115 0.000 0.895 26 K CB 1.446 33.955 32.500 0.014 0.000 1.060 26 K HN 0.496 8.746 8.250 -0.000 0.000 0.448 27 F N -2.475 117.459 119.950 -0.026 0.000 2.741 27 F HA 0.563 5.088 4.527 -0.003 0.000 0.311 27 F C -1.310 174.471 175.800 -0.032 0.000 1.149 27 F CA -0.931 57.046 58.000 -0.038 0.000 0.930 27 F CB 1.403 40.353 39.000 -0.084 0.000 1.312 27 F HN 0.283 8.583 8.300 -0.000 0.000 0.450 28 S N 0.910 116.688 115.700 0.132 0.000 2.541 28 S HA 0.823 5.291 4.470 -0.003 0.000 0.280 28 S C -1.529 173.198 174.600 0.213 0.000 1.112 28 S CA -0.776 57.468 58.200 0.074 0.000 0.925 28 S CB 2.086 65.311 63.200 0.042 0.000 1.067 28 S HN 0.671 8.981 8.310 -0.000 0.000 0.479 29 V N 2.004 122.044 119.914 0.209 0.000 2.656 29 V HA 0.655 4.773 4.120 -0.003 0.000 0.307 29 V C -0.549 175.701 176.094 0.261 0.000 1.051 29 V CA -0.571 61.910 62.300 0.301 0.000 0.893 29 V CB 2.211 34.263 31.823 0.381 0.000 0.999 29 V HN 0.887 9.077 8.190 -0.000 0.000 0.426 30 S N 2.188 118.049 115.700 0.269 0.000 2.473 30 S HA 0.820 5.288 4.470 -0.003 0.000 0.307 30 S C 0.119 174.840 174.600 0.202 0.000 1.094 30 S CA -0.536 57.781 58.200 0.195 0.000 1.070 30 S CB 1.835 65.105 63.200 0.115 0.000 1.019 30 S HN 1.111 9.421 8.310 -0.000 0.000 0.480 31 G N 1.613 110.491 108.800 0.130 0.000 2.495 31 G HA2 0.698 4.657 3.960 -0.003 0.000 0.318 31 G HA3 0.698 4.657 3.960 -0.003 0.000 0.318 31 G C -1.321 173.457 174.900 -0.203 0.000 1.257 31 G CA -0.667 44.332 45.100 -0.167 0.000 0.962 31 G HN 0.600 8.890 8.290 -0.000 0.000 0.483 32 E N -0.181 119.838 120.200 -0.302 0.000 2.340 32 E HA 0.726 5.074 4.350 -0.003 0.000 0.273 32 E C 0.001 176.438 176.600 -0.271 0.000 0.891 32 E CA -0.767 55.500 56.400 -0.220 0.000 0.757 32 E CB 2.747 32.361 29.700 -0.142 0.000 1.231 32 E HN 0.936 9.296 8.360 -0.000 0.000 0.439 33 G N 1.296 109.969 108.800 -0.211 0.000 2.404 33 G HA2 0.276 4.234 3.960 -0.003 0.000 0.253 33 G HA3 0.276 4.234 3.960 -0.003 0.000 0.253 33 G C -1.709 173.072 174.900 -0.197 0.000 1.253 33 G CA -0.690 44.283 45.100 -0.212 0.000 0.917 33 G HN 0.567 8.857 8.290 -0.000 0.000 0.480 34 E N -1.292 118.769 120.200 -0.232 0.000 2.413 34 E HA 0.628 4.976 4.350 -0.003 0.000 0.277 34 E C -0.453 175.902 176.600 -0.408 0.000 0.958 34 E CA -0.965 55.281 56.400 -0.258 0.000 0.779 34 E CB 2.104 31.712 29.700 -0.153 0.000 1.278 34 E HN 1.178 9.538 8.360 -0.000 0.000 0.456 35 G N 0.298 108.732 108.800 -0.611 0.000 2.524 35 G HA2 0.492 4.450 3.960 -0.003 0.000 0.310 35 G HA3 0.492 4.450 3.960 -0.003 0.000 0.310 35 G C -1.543 173.245 174.900 -0.186 0.000 1.279 35 G CA -0.442 44.136 45.100 -0.870 0.000 0.974 35 G HN 0.432 8.722 8.290 -0.000 0.000 0.484 36 D N 0.968 121.413 120.400 0.074 0.000 2.346 36 D HA 0.447 5.085 4.640 -0.003 0.000 0.255 36 D C 1.038 177.544 176.300 0.342 0.000 1.276 36 D CA -0.121 54.049 54.000 0.283 0.000 0.941 36 D CB 1.323 42.297 40.800 0.290 0.000 1.199 36 D HN 0.376 8.746 8.370 -0.000 0.000 0.537 37 A N 2.128 125.205 122.820 0.429 0.000 2.067 37 A HA -0.087 4.231 4.320 -0.003 0.000 0.219 37 A C 1.971 179.616 177.584 0.101 0.000 1.158 37 A CA 1.366 53.578 52.037 0.291 0.000 0.661 37 A CB -0.304 18.841 19.000 0.242 0.000 0.801 37 A HN 0.530 8.680 8.150 -0.000 0.000 0.452 38 T N -0.994 113.550 114.554 -0.017 0.000 2.778 38 T HA -0.191 4.158 4.350 -0.003 0.000 0.269 38 T C 0.946 175.327 174.700 -0.532 0.000 1.050 38 T CA 1.988 63.873 62.100 -0.359 0.000 1.137 38 T CB -0.409 68.107 68.868 -0.587 0.000 0.860 38 T HN 0.707 8.947 8.240 -0.000 0.000 0.468 39 Y N -0.521 119.864 120.300 0.142 0.000 2.557 39 Y HA 0.468 5.017 4.550 -0.002 0.000 0.247 39 Y C 1.657 177.686 175.900 0.215 0.000 1.164 39 Y CA -0.638 57.556 58.100 0.157 0.000 1.218 39 Y CB 0.017 38.581 38.460 0.173 0.000 1.210 39 Y HN 0.201 8.481 8.280 -0.000 0.000 0.529 40 G N 1.450 110.406 108.800 0.260 0.000 2.225 40 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.267 40 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.267 40 G C 0.156 175.188 174.900 0.220 0.000 1.024 40 G CA 0.488 45.724 45.100 0.227 0.000 0.784 40 G HN 0.372 8.662 8.290 -0.000 0.000 0.507 41 K N -0.146 120.362 120.400 0.180 0.000 2.235 41 K HA 0.709 5.027 4.320 -0.003 0.000 0.266 41 K C -0.111 176.383 176.600 -0.176 0.000 0.980 41 K CA -0.886 55.356 56.287 -0.075 0.000 0.849 41 K CB 0.576 33.118 32.500 0.070 0.000 1.098 41 K HN 0.160 8.410 8.250 -0.000 0.000 0.445 42 L N 3.633 124.672 121.223 -0.307 0.000 2.356 42 L HA 0.434 4.772 4.340 -0.003 0.000 0.277 42 L C -0.536 176.170 176.870 -0.273 0.000 0.996 42 L CA -0.804 53.870 54.840 -0.276 0.000 0.822 42 L CB 2.162 44.106 42.059 -0.192 0.000 1.256 42 L HN 0.728 8.958 8.230 -0.000 0.000 0.413 43 T N 1.655 116.066 114.554 -0.240 0.000 2.847 43 T HA 0.806 5.154 4.350 -0.003 0.000 0.291 43 T C -0.664 173.910 174.700 -0.209 0.000 0.998 43 T CA -0.622 61.359 62.100 -0.198 0.000 0.967 43 T CB 1.142 69.911 68.868 -0.165 0.000 0.954 43 T HN 0.318 8.558 8.240 -0.000 0.000 0.441 44 L N 2.043 123.141 121.223 -0.207 0.000 2.445 44 L HA 0.649 4.987 4.340 -0.003 0.000 0.262 44 L C -0.556 176.091 176.870 -0.372 0.000 0.974 44 L CA -0.966 53.662 54.840 -0.353 0.000 0.822 44 L CB 2.868 44.653 42.059 -0.456 0.000 1.339 44 L HN 0.629 8.859 8.230 -0.000 0.000 0.409 45 K N 2.288 122.412 120.400 -0.459 0.000 2.413 45 K HA 0.614 4.932 4.320 -0.003 0.000 0.257 45 K C -1.733 174.612 176.600 -0.426 0.000 0.946 45 K CA -0.399 55.702 56.287 -0.310 0.000 0.823 45 K CB 1.060 33.463 32.500 -0.161 0.000 1.109 45 K HN 0.314 8.564 8.250 -0.000 0.000 0.427 46 F N 4.831 124.741 119.950 -0.067 0.000 2.443 46 F HA 0.505 5.030 4.527 -0.003 0.000 0.335 46 F C 0.134 175.946 175.800 0.020 0.000 1.104 46 F CA -0.823 57.175 58.000 -0.004 0.000 1.013 46 F CB 1.303 40.321 39.000 0.031 0.000 1.136 46 F HN 0.216 8.516 8.300 -0.000 0.000 0.470 47 I N 2.550 123.328 120.570 0.346 0.000 2.498 47 I HA 0.227 4.395 4.170 -0.003 0.000 0.290 47 I C -0.845 175.536 176.117 0.441 0.000 1.032 47 I CA -0.787 60.717 61.300 0.341 0.000 1.073 47 I CB 1.861 39.967 38.000 0.177 0.000 1.251 47 I HN 0.579 8.789 8.210 -0.000 0.000 0.426 48 C N 5.379 124.982 119.300 0.505 0.000 2.540 48 C HA 0.186 4.644 4.460 -0.003 0.000 0.377 48 C C 1.818 176.937 174.990 0.216 0.000 1.274 48 C CA -0.047 59.169 59.018 0.330 0.000 1.718 48 C CB -0.763 27.110 27.740 0.222 0.000 2.391 48 C HN 0.970 9.200 8.230 -0.000 0.000 0.565 49 T N 0.753 115.415 114.554 0.179 0.000 3.100 49 T HA -0.046 4.302 4.350 -0.003 0.000 0.253 49 T C 1.232 175.991 174.700 0.099 0.000 1.118 49 T CA 1.143 63.318 62.100 0.124 0.000 1.058 49 T CB -0.340 68.591 68.868 0.105 0.000 0.953 49 T HN 0.839 9.079 8.240 -0.000 0.000 0.515 50 T N -2.336 112.283 114.554 0.109 0.000 3.069 50 T HA 0.616 4.965 4.350 -0.003 0.000 0.252 50 T C 1.306 176.049 174.700 0.071 0.000 1.053 50 T CA 0.226 62.378 62.100 0.087 0.000 0.964 50 T CB 0.183 69.114 68.868 0.106 0.000 1.005 50 T HN 0.806 9.046 8.240 -0.000 0.000 0.532 51 G N 1.397 110.241 108.800 0.073 0.000 2.254 51 G HA2 0.028 3.987 3.960 -0.003 0.000 0.193 51 G HA3 0.028 3.987 3.960 -0.003 0.000 0.193 51 G C -1.503 173.420 174.900 0.038 0.000 1.233 51 G CA -0.936 44.195 45.100 0.052 0.000 1.290 51 G HN 0.401 8.691 8.290 -0.000 0.000 0.517 52 K N 0.368 120.764 120.400 -0.006 0.000 2.249 52 K HA 0.672 4.990 4.320 -0.003 0.000 0.280 52 K C 0.045 176.558 176.600 -0.146 0.000 1.033 52 K CA -0.471 55.781 56.287 -0.058 0.000 0.946 52 K CB 1.199 33.647 32.500 -0.086 0.000 1.005 52 K HN 0.563 8.813 8.250 -0.000 0.000 0.469 53 L N 6.486 127.558 121.223 -0.251 0.000 2.410 53 L HA 0.219 4.558 4.340 -0.003 0.000 0.273 53 L C -1.599 174.997 176.870 -0.456 0.000 1.144 53 L CA -0.961 53.563 54.840 -0.525 0.000 0.863 53 L CB 0.730 42.254 42.059 -0.893 0.000 1.140 53 L HN 0.627 8.857 8.230 -0.000 0.000 0.463 54 P HA 0.032 4.452 4.420 -0.000 0.000 0.249 54 P C -0.469 176.554 177.300 -0.461 0.000 1.229 54 P CA 0.381 63.235 63.100 -0.409 0.000 0.788 54 P CB 0.076 31.510 31.700 -0.444 0.000 1.072 55 V N -4.849 114.714 119.914 -0.586 0.000 3.102 55 V HA 0.723 4.841 4.120 -0.003 0.000 0.312 55 V C -3.194 172.598 176.094 -0.503 0.000 1.135 55 V CA -3.358 58.554 62.300 -0.646 0.000 1.022 55 V CB 1.542 33.027 31.823 -0.564 0.000 1.056 55 V HN -0.341 7.849 8.190 -0.000 0.000 0.436 56 P HA 0.223 4.643 4.420 -0.000 0.000 0.271 56 P C -0.090 177.132 177.300 -0.129 0.000 1.216 56 P CA 0.156 63.155 63.100 -0.167 0.000 0.776 56 P CB 0.429 32.051 31.700 -0.130 0.000 0.881 57 W N 4.038 125.352 121.300 0.024 0.000 2.304 57 W HA -0.165 4.493 4.660 -0.003 0.000 0.315 57 W C -0.642 175.886 176.519 0.016 0.000 1.233 57 W CA 1.471 58.838 57.345 0.036 0.000 1.261 57 W CB -2.371 27.202 29.460 0.187 0.000 1.150 57 W HN 0.542 8.722 8.180 -0.000 0.000 0.494 58 P HA -0.166 4.254 4.420 -0.000 0.000 0.222 58 P C 1.504 178.965 177.300 0.269 0.000 1.147 58 P CA 2.521 65.773 63.100 0.254 0.000 0.790 58 P CB -0.530 31.329 31.700 0.266 0.000 0.780 59 T N -3.844 110.753 114.554 0.072 0.000 3.072 59 T HA 0.015 4.363 4.350 -0.003 0.000 0.266 59 T C 1.378 176.319 174.700 0.402 0.000 1.127 59 T CA 0.718 62.940 62.100 0.203 0.000 1.107 59 T CB -0.901 68.019 68.868 0.087 0.000 0.910 59 T HN 0.087 8.327 8.240 -0.000 0.000 0.513 60 L N 0.377 121.731 121.223 0.217 0.000 2.640 60 L HA 0.288 4.626 4.340 -0.003 0.000 0.230 60 L C 2.284 179.196 176.870 0.071 0.000 1.123 60 L CA -0.180 54.745 54.840 0.141 0.000 0.900 60 L CB 0.009 42.081 42.059 0.021 0.000 1.146 60 L HN 0.100 8.330 8.230 -0.000 0.000 0.484 61 V N 0.525 120.480 119.914 0.068 0.000 2.332 61 V HA -0.296 3.822 4.120 -0.003 0.000 0.248 61 V C 2.755 178.776 176.094 -0.122 0.000 1.055 61 V CA 2.724 64.953 62.300 -0.118 0.000 1.038 61 V CB -0.826 30.758 31.823 -0.398 0.000 0.651 61 V HN 0.675 8.865 8.190 -0.000 0.000 0.450 62 T N -3.592 110.900 114.554 -0.103 0.000 2.904 62 T HA -0.164 4.184 4.350 -0.003 0.000 0.267 62 T C 1.789 176.454 174.700 -0.059 0.000 1.059 62 T CA 1.723 63.538 62.100 -0.474 0.000 1.137 62 T CB -0.556 68.082 68.868 -0.382 0.000 0.879 62 T HN 0.424 8.664 8.240 -0.000 0.000 0.467 63 T N 2.221 116.829 114.554 0.091 0.000 2.777 63 T HA 0.168 4.516 4.350 -0.003 0.000 0.266 63 T C 1.764 176.531 174.700 0.112 0.000 1.040 63 T CA 0.982 63.159 62.100 0.129 0.000 1.141 63 T CB -0.385 68.547 68.868 0.107 0.000 0.868 63 T HN 0.307 8.547 8.240 -0.000 0.000 0.444 64 L N 0.991 122.233 121.223 0.032 0.000 2.341 64 L HA 0.055 4.394 4.340 -0.003 0.000 0.214 64 L C 2.452 179.425 176.870 0.171 0.000 1.115 64 L CA 1.134 55.977 54.840 0.005 0.000 0.820 64 L CB -0.281 41.511 42.059 -0.444 0.000 0.944 64 L HN 0.406 8.636 8.230 -0.000 0.000 0.452 65 T N -6.863 107.831 114.554 0.234 0.000 3.004 65 T HA 0.057 4.405 4.350 -0.003 0.000 0.266 65 T C 1.123 176.113 174.700 0.484 0.000 0.986 65 T CA -0.140 62.173 62.100 0.354 0.000 0.902 65 T CB -0.068 69.004 68.868 0.339 0.000 1.118 65 T HN -0.001 8.239 8.240 -0.000 0.000 0.522 66 Y N 2.076 122.465 120.300 0.148 0.000 2.490 66 Y HA 0.487 5.036 4.550 -0.003 0.000 0.281 66 Y C 2.328 178.334 175.900 0.176 0.000 1.174 66 Y CA -0.823 57.360 58.100 0.138 0.000 1.295 66 Y CB -0.405 38.173 38.460 0.197 0.000 1.062 66 Y HN 0.413 8.693 8.280 -0.000 0.000 0.522 67 G N -0.264 108.746 108.800 0.349 0.000 2.776 67 G HA2 0.021 3.979 3.960 -0.003 0.000 0.209 67 G HA3 0.021 3.979 3.960 -0.003 0.000 0.209 67 G C 0.753 175.818 174.900 0.276 0.000 1.145 67 G CA 1.021 46.319 45.100 0.330 0.000 0.791 67 G HN 0.262 8.552 8.290 -0.000 0.000 0.530 68 V N -2.965 117.082 119.914 0.221 0.000 2.854 68 V HA 0.364 4.482 4.120 -0.003 0.000 0.366 68 V C 1.060 177.216 176.094 0.103 0.000 1.322 68 V CA -0.350 62.095 62.300 0.242 0.000 1.243 68 V CB 0.194 32.230 31.823 0.355 0.000 1.337 68 V HN 0.207 8.397 8.190 -0.000 0.000 0.585 69 Q N 0.345 120.055 119.800 -0.149 0.000 2.488 69 Q HA -0.068 4.270 4.340 -0.003 0.000 0.211 69 Q C 2.109 177.743 176.000 -0.611 0.000 0.967 69 Q CA 1.544 57.012 55.803 -0.557 0.000 0.926 69 Q CB -0.114 27.955 28.738 -1.115 0.000 0.992 69 Q HN 1.059 9.329 8.270 -0.000 0.000 0.506 70 C N -1.430 117.682 119.300 -0.314 0.000 2.430 70 C HA -0.012 4.447 4.460 -0.003 0.000 0.288 70 C C 1.564 176.146 174.990 -0.679 0.000 1.448 70 C CA -0.223 58.541 59.018 -0.423 0.000 1.784 70 C CB -1.328 26.177 27.740 -0.391 0.000 1.776 70 C HN 0.256 8.486 8.230 -0.000 0.000 0.547 71 F N 2.082 121.947 119.950 -0.141 0.000 2.732 71 F HA 0.234 4.760 4.527 -0.002 0.000 0.303 71 F C 1.465 177.237 175.800 -0.047 0.000 1.110 71 F CA -0.099 57.873 58.000 -0.047 0.000 1.355 71 F CB -0.390 38.631 39.000 0.034 0.000 1.081 71 F HN 0.033 8.333 8.300 -0.000 0.000 0.565 72 S N 0.950 116.659 115.700 0.015 0.000 2.568 72 S HA 0.094 4.563 4.470 -0.003 0.000 0.282 72 S C 0.471 175.138 174.600 0.110 0.000 1.338 72 S CA -0.582 57.641 58.200 0.037 0.000 1.045 72 S CB 0.625 63.829 63.200 0.007 0.000 0.873 72 S HN 0.295 8.605 8.310 -0.000 0.000 0.516 73 R N 1.870 122.402 120.500 0.054 0.000 2.216 73 R HA 0.185 4.523 4.340 -0.003 0.000 0.332 73 R C -1.600 174.686 176.300 -0.025 0.000 1.056 73 R CA -0.211 55.919 56.100 0.049 0.000 0.901 73 R CB 0.146 30.463 30.300 0.029 0.000 1.039 73 R HN 0.578 8.848 8.270 -0.000 0.000 0.456 74 Y N 6.382 126.635 120.300 -0.078 0.000 2.367 74 Y HA 0.305 4.854 4.550 -0.002 0.000 0.342 74 Y C -1.767 174.051 175.900 -0.137 0.000 0.979 74 Y CA -2.384 55.648 58.100 -0.114 0.000 1.161 74 Y CB 1.348 39.742 38.460 -0.110 0.000 1.155 74 Y HN 0.606 8.886 8.280 -0.000 0.000 0.503 75 P HA -0.047 4.373 4.420 -0.000 0.000 0.268 75 P C 0.491 177.715 177.300 -0.127 0.000 1.208 75 P CA 0.188 63.219 63.100 -0.115 0.000 0.777 75 P CB 0.899 32.484 31.700 -0.191 0.000 0.875 76 D N 0.870 121.252 120.400 -0.030 0.000 2.133 76 D HA -0.263 4.376 4.640 -0.003 0.000 0.195 76 D C 1.521 177.812 176.300 -0.015 0.000 0.997 76 D CA 1.300 55.295 54.000 -0.009 0.000 0.840 76 D CB -0.204 40.615 40.800 0.031 0.000 0.947 76 D HN 0.567 8.937 8.370 -0.000 0.000 0.452 77 H N -0.686 118.394 119.070 0.016 0.000 2.561 77 H HA 0.002 4.556 4.556 -0.003 0.000 0.278 77 H C 1.024 176.383 175.328 0.052 0.000 1.014 77 H CA 0.644 56.705 56.048 0.022 0.000 1.211 77 H CB -0.253 29.519 29.762 0.017 0.000 1.365 77 H HN 0.337 8.617 8.280 -0.000 0.000 0.594 78 M N 0.220 119.607 119.600 -0.356 0.000 2.416 78 M HA 0.166 4.644 4.480 -0.003 0.000 0.337 78 M C 1.373 177.672 176.300 -0.002 0.000 1.074 78 M CA -0.117 55.123 55.300 -0.100 0.000 0.968 78 M CB 0.791 33.253 32.600 -0.230 0.000 1.472 78 M HN -0.028 8.262 8.290 -0.000 0.000 0.539 79 K N 1.365 121.722 120.400 -0.072 0.000 2.360 79 K HA -0.119 4.199 4.320 -0.003 0.000 0.201 79 K C 1.964 178.440 176.600 -0.206 0.000 1.046 79 K CA 0.916 57.141 56.287 -0.103 0.000 0.945 79 K CB 0.141 32.589 32.500 -0.087 0.000 0.750 79 K HN 0.432 8.682 8.250 -0.000 0.000 0.464 80 Q N -0.213 119.411 119.800 -0.294 0.000 2.444 80 Q HA -0.107 4.231 4.340 -0.003 0.000 0.206 80 Q C 0.332 176.026 176.000 -0.509 0.000 0.948 80 Q CA 1.108 56.675 55.803 -0.393 0.000 0.946 80 Q CB 0.103 28.595 28.738 -0.410 0.000 1.027 80 Q HN 0.463 8.733 8.270 -0.000 0.000 0.513 81 H N 0.194 119.183 119.070 -0.136 0.000 2.652 81 H HA 0.178 4.733 4.556 -0.002 0.000 0.274 81 H C -0.399 174.784 175.328 -0.242 0.000 1.021 81 H CA -0.176 55.789 56.048 -0.139 0.000 1.187 81 H CB 0.621 30.262 29.762 -0.201 0.000 1.505 81 H HN 0.229 8.509 8.280 -0.000 0.000 0.530 82 D N 1.057 121.190 120.400 -0.446 0.000 2.517 82 D HA -0.056 4.582 4.640 -0.003 0.000 0.220 82 D C 1.112 177.183 176.300 -0.382 0.000 1.158 82 D CA -0.471 53.039 54.000 -0.816 0.000 0.992 82 D CB -0.441 39.710 40.800 -1.082 0.000 1.058 82 D HN 0.068 8.438 8.370 -0.000 0.000 0.516 83 F N 3.257 122.944 119.950 -0.438 0.000 2.095 83 F HA -0.215 4.310 4.527 -0.003 0.000 0.298 83 F C 1.238 176.812 175.800 -0.377 0.000 1.104 83 F CA 1.562 59.297 58.000 -0.442 0.000 1.232 83 F CB -0.301 38.322 39.000 -0.627 0.000 0.987 83 F HN 0.213 8.513 8.300 -0.000 0.000 0.475 84 F N 1.057 120.900 119.950 -0.178 0.000 2.095 84 F HA -0.180 4.345 4.527 -0.002 0.000 0.298 84 F C 2.409 178.076 175.800 -0.221 0.000 1.104 84 F CA 1.912 59.802 58.000 -0.184 0.000 1.232 84 F CB -1.109 37.871 39.000 -0.034 0.000 0.987 84 F HN -0.118 8.182 8.300 -0.000 0.000 0.475 85 K N 0.171 120.475 120.400 -0.160 0.000 2.148 85 K HA -0.106 4.212 4.320 -0.003 0.000 0.204 85 K C 2.228 178.764 176.600 -0.107 0.000 1.050 85 K CA 1.432 57.583 56.287 -0.226 0.000 0.942 85 K CB -0.405 31.858 32.500 -0.396 0.000 0.724 85 K HN 0.336 8.586 8.250 -0.000 0.000 0.446 86 S N 0.631 116.196 115.700 -0.226 0.000 2.453 86 S HA -0.025 4.443 4.470 -0.003 0.000 0.231 86 S C 2.012 176.491 174.600 -0.201 0.000 1.005 86 S CA 0.765 58.844 58.200 -0.200 0.000 0.949 86 S CB 0.006 63.068 63.200 -0.230 0.000 0.774 86 S HN 0.253 8.563 8.310 -0.000 0.000 0.510 87 A N 0.997 123.647 122.820 -0.283 0.000 2.208 87 A HA 0.418 4.736 4.320 -0.003 0.000 0.209 87 A C 0.940 178.517 177.584 -0.010 0.000 1.161 87 A CA 0.103 52.029 52.037 -0.184 0.000 0.782 87 A CB -0.302 18.548 19.000 -0.249 0.000 0.816 87 A HN 0.483 8.633 8.150 -0.000 0.000 0.477 88 M N 0.053 119.685 119.600 0.054 0.000 2.288 88 M HA 0.248 4.726 4.480 -0.003 0.000 0.334 88 M C -1.791 174.532 176.300 0.038 0.000 1.150 88 M CA -2.465 52.922 55.300 0.145 0.000 1.118 88 M CB 0.420 33.251 32.600 0.385 0.000 1.501 88 M HN -0.035 8.255 8.290 -0.000 0.000 0.462 89 P HA 0.073 4.493 4.420 -0.000 0.000 0.251 89 P C 0.394 177.766 177.300 0.119 0.000 1.223 89 P CA 0.723 63.867 63.100 0.073 0.000 0.796 89 P CB 0.389 32.017 31.700 -0.119 0.000 1.068 90 E N 0.476 120.709 120.200 0.056 0.000 2.150 90 E HA 0.168 4.517 4.350 -0.003 0.000 0.193 90 E C 1.392 178.016 176.600 0.041 0.000 0.985 90 E CA 1.265 57.693 56.400 0.046 0.000 0.814 90 E CB -0.703 29.016 29.700 0.031 0.000 0.752 90 E HN 0.330 8.690 8.360 -0.000 0.000 0.466 91 G N -0.673 108.148 108.800 0.035 0.000 2.627 91 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.214 91 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.214 91 G C -1.026 173.900 174.900 0.043 0.000 1.331 91 G CA -0.477 44.592 45.100 -0.051 0.000 0.891 91 G HN 0.254 8.544 8.290 -0.000 0.000 0.539 92 Y N -3.304 117.067 120.300 0.118 0.000 2.615 92 Y HA 0.749 5.296 4.550 -0.004 0.000 0.341 92 Y C -0.136 175.856 175.900 0.154 0.000 1.089 92 Y CA -1.555 56.644 58.100 0.165 0.000 1.049 92 Y CB 1.061 39.691 38.460 0.282 0.000 1.296 92 Y HN 0.749 9.029 8.280 -0.000 0.000 0.470 93 V N 2.743 122.882 119.914 0.376 0.000 2.407 93 V HA 0.346 4.464 4.120 -0.003 0.000 0.278 93 V C -0.359 175.928 176.094 0.323 0.000 1.037 93 V CA -0.594 61.867 62.300 0.269 0.000 0.900 93 V CB 1.174 33.096 31.823 0.165 0.000 0.983 93 V HN 0.825 9.015 8.190 -0.000 0.000 0.459 94 Q N 3.858 123.845 119.800 0.312 0.000 2.316 94 Q HA 0.501 4.839 4.340 -0.003 0.000 0.264 94 Q C -0.981 175.115 176.000 0.160 0.000 0.987 94 Q CA -0.516 55.443 55.803 0.261 0.000 0.852 94 Q CB 1.918 30.864 28.738 0.348 0.000 1.287 94 Q HN 0.824 9.094 8.270 -0.000 0.000 0.448 95 E N 3.316 123.570 120.200 0.090 0.000 2.256 95 E HA 0.554 4.902 4.350 -0.003 0.000 0.267 95 E C -1.212 175.403 176.600 0.024 0.000 0.892 95 E CA -0.646 55.784 56.400 0.049 0.000 0.775 95 E CB 2.506 32.208 29.700 0.004 0.000 1.207 95 E HN 0.510 8.870 8.360 -0.000 0.000 0.420 96 M N 1.077 120.703 119.600 0.045 0.000 2.433 96 M HA 0.333 4.811 4.480 -0.003 0.000 0.290 96 M C -1.557 174.759 176.300 0.026 0.000 1.173 96 M CA -0.280 55.043 55.300 0.038 0.000 0.905 96 M CB 2.570 35.247 32.600 0.129 0.000 1.692 96 M HN 0.365 8.655 8.290 -0.000 0.000 0.462 97 T N 5.126 119.676 114.554 -0.006 0.000 2.791 97 T HA 0.610 4.958 4.350 -0.003 0.000 0.288 97 T C -0.678 173.937 174.700 -0.141 0.000 0.999 97 T CA -0.357 61.736 62.100 -0.012 0.000 0.952 97 T CB 0.368 69.259 68.868 0.037 0.000 0.938 97 T HN 0.471 8.711 8.240 -0.000 0.000 0.444 98 I N 2.924 123.369 120.570 -0.210 0.000 2.390 98 I HA 0.297 4.465 4.170 -0.003 0.000 0.283 98 I C 0.056 175.887 176.117 -0.477 0.000 1.016 98 I CA -0.598 60.379 61.300 -0.539 0.000 1.151 98 I CB 1.382 39.023 38.000 -0.599 0.000 1.293 98 I HN 0.475 8.685 8.210 -0.000 0.000 0.458 99 S N 6.370 121.779 115.700 -0.485 0.000 2.423 99 S HA 0.473 4.941 4.470 -0.003 0.000 0.317 99 S C -0.369 173.999 174.600 -0.387 0.000 1.065 99 S CA -0.472 57.532 58.200 -0.326 0.000 1.111 99 S CB 0.086 63.161 63.200 -0.208 0.000 0.968 99 S HN 0.262 8.572 8.310 -0.000 0.000 0.474 100 F N 3.150 122.978 119.950 -0.203 0.000 2.444 100 F HA 0.248 4.773 4.527 -0.003 0.000 0.360 100 F C 0.964 176.692 175.800 -0.119 0.000 1.106 100 F CA -0.644 57.277 58.000 -0.132 0.000 1.170 100 F CB 0.554 39.494 39.000 -0.100 0.000 1.113 100 F HN 0.390 8.690 8.300 -0.000 0.000 0.521 101 K N 4.059 124.487 120.400 0.046 0.000 2.511 101 K HA -0.088 4.230 4.320 -0.003 0.000 0.280 101 K C 0.058 176.671 176.600 0.022 0.000 1.008 101 K CA 0.272 56.564 56.287 0.008 0.000 1.050 101 K CB 0.220 32.720 32.500 -0.001 0.000 0.889 101 K HN 0.741 8.991 8.250 -0.000 0.000 0.484 102 D N 1.507 121.900 120.400 -0.011 0.000 3.012 102 D HA -0.198 4.440 4.640 -0.003 0.000 0.222 102 D C -0.495 175.787 176.300 -0.030 0.000 1.167 102 D CA 1.514 55.503 54.000 -0.018 0.000 0.854 102 D CB -0.622 40.176 40.800 -0.004 0.000 1.107 102 D HN 0.750 9.120 8.370 -0.000 0.000 0.421 103 D N -2.158 118.209 120.400 -0.054 0.000 3.236 103 D HA 0.552 5.190 4.640 -0.003 0.000 0.325 103 D C 0.721 176.832 176.300 -0.315 0.000 1.352 103 D CA 0.262 54.187 54.000 -0.125 0.000 0.979 103 D CB 0.453 41.227 40.800 -0.043 0.000 1.410 103 D HN 0.001 8.371 8.370 -0.000 0.000 0.588 104 G N -0.789 107.532 108.800 -0.799 0.000 2.516 104 G HA2 0.471 4.430 3.960 -0.003 0.000 0.276 104 G HA3 0.471 4.430 3.960 -0.003 0.000 0.276 104 G C -0.424 173.970 174.900 -0.844 0.000 1.390 104 G CA -0.194 44.127 45.100 -1.297 0.000 1.050 104 G HN 0.675 8.965 8.290 -0.000 0.000 0.519 105 N N -2.846 115.500 118.700 -0.589 0.000 2.284 105 N HA 0.468 5.206 4.740 -0.003 0.000 0.289 105 N C -1.603 174.093 175.510 0.311 0.000 1.179 105 N CA -0.940 52.071 53.050 -0.065 0.000 0.774 105 N CB 1.511 39.961 38.487 -0.061 0.000 1.548 105 N HN 0.543 8.923 8.380 -0.000 0.000 0.473 106 Y N -0.233 120.265 120.300 0.331 0.000 2.361 106 Y HA 0.458 5.006 4.550 -0.003 0.000 0.332 106 Y C 0.053 176.019 175.900 0.110 0.000 1.101 106 Y CA -1.129 57.133 58.100 0.268 0.000 1.137 106 Y CB 1.788 40.420 38.460 0.287 0.000 1.207 106 Y HN 0.175 8.455 8.280 -0.000 0.000 0.463 107 K N 2.745 123.305 120.400 0.267 0.000 2.413 107 K HA 0.374 4.693 4.320 -0.003 0.000 0.257 107 K C -0.822 175.847 176.600 0.115 0.000 0.946 107 K CA -0.568 55.806 56.287 0.144 0.000 0.823 107 K CB 2.070 34.631 32.500 0.101 0.000 1.109 107 K HN 0.778 9.028 8.250 -0.000 0.000 0.427 108 T N 0.041 114.655 114.554 0.099 0.000 2.887 108 T HA 0.567 4.915 4.350 -0.003 0.000 0.288 108 T C -0.468 174.276 174.700 0.074 0.000 1.021 108 T CA -0.998 61.151 62.100 0.081 0.000 1.000 108 T CB 2.233 71.163 68.868 0.104 0.000 1.034 108 T HN 0.572 8.812 8.240 -0.000 0.000 0.467 109 R N 0.854 121.393 120.500 0.066 0.000 2.575 109 R HA 0.733 5.072 4.340 -0.003 0.000 0.293 109 R C -1.454 174.896 176.300 0.084 0.000 0.983 109 R CA -0.620 55.524 56.100 0.073 0.000 0.887 109 R CB 1.640 31.973 30.300 0.055 0.000 1.184 109 R HN 1.031 9.301 8.270 -0.000 0.000 0.445 110 A N 3.349 126.237 122.820 0.115 0.000 2.454 110 A HA 0.515 4.833 4.320 -0.003 0.000 0.302 110 A C -1.313 176.341 177.584 0.117 0.000 1.079 110 A CA -0.779 51.328 52.037 0.116 0.000 0.731 110 A CB 1.745 20.834 19.000 0.150 0.000 1.299 110 A HN 0.772 8.922 8.150 -0.000 0.000 0.413 111 E N 0.758 121.005 120.200 0.078 0.000 2.145 111 E HA 0.500 4.848 4.350 -0.003 0.000 0.270 111 E C -1.381 175.218 176.600 -0.002 0.000 0.906 111 E CA -0.630 55.800 56.400 0.049 0.000 0.761 111 E CB 2.122 31.844 29.700 0.037 0.000 1.116 111 E HN 0.327 8.687 8.360 -0.000 0.000 0.408 112 V N 4.599 124.456 119.914 -0.094 0.000 2.378 112 V HA 0.422 4.540 4.120 -0.003 0.000 0.288 112 V C -0.137 175.787 176.094 -0.284 0.000 1.016 112 V CA -0.562 61.600 62.300 -0.231 0.000 0.840 112 V CB 0.808 32.381 31.823 -0.416 0.000 0.994 112 V HN 0.684 8.874 8.190 -0.000 0.000 0.431 113 K N 3.348 123.645 120.400 -0.171 0.000 2.578 113 K HA 0.596 4.915 4.320 -0.003 0.000 0.287 113 K C -1.507 175.036 176.600 -0.095 0.000 1.010 113 K CA -0.945 55.290 56.287 -0.086 0.000 0.889 113 K CB 1.486 33.977 32.500 -0.015 0.000 1.514 113 K HN 0.202 8.452 8.250 -0.000 0.000 0.424 114 F N 1.510 121.434 119.950 -0.043 0.000 2.443 114 F HA 0.198 4.724 4.527 -0.002 0.000 0.353 114 F C 0.430 176.214 175.800 -0.026 0.000 1.101 114 F CA 0.084 58.062 58.000 -0.037 0.000 1.226 114 F CB 1.018 39.981 39.000 -0.062 0.000 1.140 114 F HN 0.292 8.592 8.300 -0.000 0.000 0.557 115 E N 3.112 123.386 120.200 0.122 0.000 2.183 115 E HA 0.368 4.716 4.350 -0.003 0.000 0.250 115 E C 0.680 177.344 176.600 0.106 0.000 0.901 115 E CA 0.013 56.464 56.400 0.086 0.000 0.741 115 E CB 1.099 30.820 29.700 0.035 0.000 1.182 115 E HN 0.842 9.202 8.360 -0.000 0.000 0.425 116 G N 4.551 113.414 108.800 0.104 0.000 2.561 116 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.289 116 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.289 116 G C 0.286 175.274 174.900 0.147 0.000 1.169 116 G CA 0.240 45.389 45.100 0.081 0.000 0.980 116 G HN 0.514 8.804 8.290 -0.000 0.000 0.550 117 D N 1.442 121.920 120.400 0.130 0.000 2.342 117 D HA 0.284 4.922 4.640 -0.003 0.000 0.221 117 D C 0.752 177.228 176.300 0.292 0.000 1.101 117 D CA 0.895 55.006 54.000 0.185 0.000 0.837 117 D CB 0.294 41.134 40.800 0.067 0.000 0.938 117 D HN 0.334 8.704 8.370 -0.000 0.000 0.508 118 T N 1.308 115.983 114.554 0.201 0.000 2.824 118 T HA 0.262 4.610 4.350 -0.003 0.000 0.280 118 T C -0.107 174.471 174.700 -0.202 0.000 0.995 118 T CA -0.615 61.504 62.100 0.031 0.000 1.009 118 T CB 2.126 70.999 68.868 0.008 0.000 0.955 118 T HN -0.082 8.158 8.240 -0.000 0.000 0.452 119 L N 4.932 125.941 121.223 -0.356 0.000 2.265 119 L HA 0.559 4.897 4.340 -0.003 0.000 0.288 119 L C -0.940 175.814 176.870 -0.193 0.000 1.058 119 L CA -0.264 54.257 54.840 -0.531 0.000 0.809 119 L CB 0.650 42.490 42.059 -0.364 0.000 1.179 119 L HN 0.408 8.638 8.230 -0.000 0.000 0.429 120 V N 5.267 125.077 119.914 -0.173 0.000 2.628 120 V HA 0.454 4.573 4.120 -0.003 0.000 0.306 120 V C -0.210 175.863 176.094 -0.034 0.000 1.045 120 V CA -0.875 61.387 62.300 -0.065 0.000 0.905 120 V CB 2.103 33.899 31.823 -0.044 0.000 0.997 120 V HN 0.755 8.945 8.190 -0.000 0.000 0.436 121 N N 3.615 122.327 118.700 0.021 0.000 2.531 121 N HA 0.384 5.122 4.740 -0.003 0.000 0.268 121 N C -0.764 174.786 175.510 0.067 0.000 1.023 121 N CA -0.504 52.580 53.050 0.057 0.000 0.896 121 N CB 1.225 39.780 38.487 0.113 0.000 1.233 121 N HN 0.563 8.943 8.380 -0.000 0.000 0.512 122 R N 3.870 124.401 120.500 0.052 0.000 2.215 122 R HA 0.524 4.862 4.340 -0.003 0.000 0.336 122 R C -0.417 175.916 176.300 0.055 0.000 0.996 122 R CA -0.452 55.676 56.100 0.047 0.000 0.847 122 R CB 0.929 31.247 30.300 0.030 0.000 1.127 122 R HN 0.517 8.787 8.270 -0.000 0.000 0.465 123 I N 1.350 121.950 120.570 0.051 0.000 2.608 123 I HA 0.343 4.512 4.170 -0.003 0.000 0.295 123 I C -0.266 175.852 176.117 0.002 0.000 1.049 123 I CA -0.851 60.476 61.300 0.044 0.000 1.063 123 I CB 2.542 40.581 38.000 0.064 0.000 1.248 123 I HN 0.351 8.561 8.210 -0.000 0.000 0.424 124 E N 5.185 125.382 120.200 -0.004 0.000 2.187 124 E HA 0.627 4.976 4.350 -0.003 0.000 0.268 124 E C -1.377 175.197 176.600 -0.044 0.000 0.896 124 E CA -0.756 55.619 56.400 -0.042 0.000 0.766 124 E CB 3.192 32.877 29.700 -0.025 0.000 1.142 124 E HN 0.393 8.753 8.360 -0.000 0.000 0.408 125 L N 2.888 124.046 121.223 -0.108 0.000 2.362 125 L HA 0.536 4.874 4.340 -0.003 0.000 0.275 125 L C -1.281 175.532 176.870 -0.095 0.000 0.998 125 L CA -0.620 54.157 54.840 -0.106 0.000 0.820 125 L CB 1.142 43.081 42.059 -0.200 0.000 1.270 125 L HN 0.355 8.585 8.230 -0.000 0.000 0.415 126 K N 3.359 123.762 120.400 0.004 0.000 2.413 126 K HA 0.715 5.033 4.320 -0.003 0.000 0.257 126 K C -0.758 175.961 176.600 0.200 0.000 0.946 126 K CA -0.476 55.848 56.287 0.062 0.000 0.823 126 K CB 1.809 34.346 32.500 0.062 0.000 1.109 126 K HN 0.733 8.983 8.250 -0.000 0.000 0.427 127 G N 4.819 113.781 108.800 0.270 0.000 2.470 127 G HA2 0.647 4.605 3.960 -0.003 0.000 0.320 127 G HA3 0.647 4.605 3.960 -0.003 0.000 0.320 127 G C -0.771 174.421 174.900 0.487 0.000 1.245 127 G CA -0.778 44.674 45.100 0.588 0.000 0.935 127 G HN 0.705 8.995 8.290 -0.000 0.000 0.476 128 I N -1.266 119.554 120.570 0.417 0.000 2.969 128 I HA 0.640 4.808 4.170 -0.003 0.000 0.307 128 I C -0.531 175.591 176.117 0.008 0.000 1.149 128 I CA -1.011 60.421 61.300 0.221 0.000 1.008 128 I CB 2.642 40.706 38.000 0.106 0.000 1.232 128 I HN 0.443 8.653 8.210 -0.000 0.000 0.435 129 D N 1.757 122.171 120.400 0.024 0.000 2.870 129 D HA -0.194 4.445 4.640 -0.003 0.000 0.228 129 D C -0.638 175.548 176.300 -0.191 0.000 1.147 129 D CA 1.080 55.036 54.000 -0.074 0.000 0.757 129 D CB -1.071 39.661 40.800 -0.114 0.000 1.091 129 D HN 0.433 8.803 8.370 -0.000 0.000 0.429 130 F N 0.864 120.818 119.950 0.007 0.000 2.429 130 F HA 0.178 4.703 4.527 -0.003 0.000 0.348 130 F C 1.691 177.477 175.800 -0.022 0.000 1.109 130 F CA -0.041 57.940 58.000 -0.032 0.000 1.232 130 F CB 0.682 39.653 39.000 -0.049 0.000 1.157 130 F HN -0.399 7.901 8.300 -0.000 0.000 0.564 131 K N 2.851 123.325 120.400 0.124 0.000 2.297 131 K HA 0.077 4.395 4.320 -0.003 0.000 0.286 131 K C 0.679 177.319 176.600 0.066 0.000 1.053 131 K CA -0.220 56.106 56.287 0.065 0.000 0.940 131 K CB 1.002 33.519 32.500 0.027 0.000 1.019 131 K HN 0.601 8.851 8.250 -0.000 0.000 0.475 132 E N 1.216 121.448 120.200 0.053 0.000 2.114 132 E HA -0.226 4.123 4.350 -0.003 0.000 0.199 132 E C 0.430 177.039 176.600 0.016 0.000 1.008 132 E CA 1.403 57.829 56.400 0.044 0.000 0.810 132 E CB 0.085 29.810 29.700 0.041 0.000 0.739 132 E HN 0.458 8.818 8.360 -0.000 0.000 0.456 133 D N -0.126 120.281 120.400 0.010 0.000 2.891 133 D HA 0.174 4.812 4.640 -0.003 0.000 0.332 133 D C 0.041 176.336 176.300 -0.007 0.000 1.369 133 D CA 0.009 54.008 54.000 -0.002 0.000 0.827 133 D CB 0.113 40.915 40.800 0.004 0.000 1.141 133 D HN 0.118 8.488 8.370 -0.000 0.000 0.464 134 G N 0.080 108.875 108.800 -0.008 0.000 2.553 134 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.278 134 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.278 134 G C 1.155 176.027 174.900 -0.047 0.000 1.349 134 G CA -0.269 44.823 45.100 -0.013 0.000 1.037 134 G HN 0.120 8.410 8.290 -0.000 0.000 0.508 135 N N -0.890 117.780 118.700 -0.050 0.000 2.309 135 N HA -0.078 4.661 4.740 -0.003 0.000 0.182 135 N C 2.023 177.429 175.510 -0.173 0.000 1.018 135 N CA 0.698 53.704 53.050 -0.074 0.000 0.876 135 N CB -0.003 38.465 38.487 -0.032 0.000 0.972 135 N HN 0.354 8.734 8.380 -0.000 0.000 0.434 136 I N 0.660 121.086 120.570 -0.239 0.000 2.405 136 I HA -0.062 4.106 4.170 -0.003 0.000 0.236 136 I C 2.144 177.955 176.117 -0.509 0.000 1.071 136 I CA 0.567 61.605 61.300 -0.436 0.000 1.398 136 I CB -0.432 37.211 38.000 -0.596 0.000 1.162 136 I HN -0.062 8.148 8.210 -0.000 0.000 0.432 137 L N 0.367 121.371 121.223 -0.364 0.000 2.275 137 L HA -0.048 4.290 4.340 -0.003 0.000 0.215 137 L C 2.216 178.944 176.870 -0.236 0.000 1.119 137 L CA 1.091 55.719 54.840 -0.354 0.000 0.790 137 L CB -0.935 41.016 42.059 -0.180 0.000 0.919 137 L HN 0.413 8.643 8.230 -0.000 0.000 0.443 138 G N -2.649 106.058 108.800 -0.155 0.000 2.920 138 G HA2 -0.096 3.863 3.960 -0.003 0.000 0.208 138 G HA3 -0.096 3.863 3.960 -0.003 0.000 0.208 138 G C 0.377 175.296 174.900 0.031 0.000 1.159 138 G CA -0.234 44.845 45.100 -0.036 0.000 0.784 138 G HN 0.560 8.850 8.290 -0.000 0.000 0.535 139 H N -0.367 118.633 119.070 -0.116 0.000 2.750 139 H HA -0.110 4.444 4.556 -0.003 0.000 0.327 139 H C 0.595 175.888 175.328 -0.058 0.000 1.199 139 H CA 1.265 57.251 56.048 -0.103 0.000 1.149 139 H CB -1.171 28.527 29.762 -0.106 0.000 1.543 139 H HN 0.500 8.780 8.280 -0.000 0.000 0.427 140 K N 0.648 121.049 120.400 0.001 0.000 2.399 140 K HA 0.287 4.605 4.320 -0.003 0.000 0.204 140 K C 0.734 177.348 176.600 0.025 0.000 1.023 140 K CA -0.019 56.279 56.287 0.017 0.000 1.127 140 K CB 1.144 33.646 32.500 0.003 0.000 0.856 140 K HN 0.166 8.416 8.250 -0.000 0.000 0.514 141 L N 2.131 123.365 121.223 0.019 0.000 2.289 141 L HA 0.233 4.571 4.340 -0.003 0.000 0.285 141 L C 0.285 177.215 176.870 0.099 0.000 1.049 141 L CA -0.586 54.279 54.840 0.043 0.000 0.804 141 L CB 1.142 43.188 42.059 -0.023 0.000 1.195 141 L HN 0.109 8.339 8.230 -0.000 0.000 0.428 142 E N 1.282 121.552 120.200 0.116 0.000 2.404 142 E HA -0.042 4.306 4.350 -0.003 0.000 0.261 142 E C -0.938 175.792 176.600 0.216 0.000 1.074 142 E CA -0.212 56.278 56.400 0.151 0.000 0.917 142 E CB 0.689 30.464 29.700 0.125 0.000 0.965 142 E HN 0.333 8.693 8.360 -0.000 0.000 0.433 143 Y N 4.302 124.657 120.300 0.093 0.000 2.570 143 Y HA 0.076 4.625 4.550 -0.003 0.000 0.336 143 Y C -0.804 175.167 175.900 0.117 0.000 1.284 143 Y CA -0.235 57.930 58.100 0.107 0.000 1.761 143 Y CB -0.938 37.566 38.460 0.073 0.000 1.724 143 Y HN 0.495 8.775 8.280 -0.000 0.000 0.455 144 N N 1.023 119.745 118.700 0.037 0.000 3.106 144 N HA 0.335 5.073 4.740 -0.003 0.000 0.253 144 N C -2.375 173.243 175.510 0.180 0.000 1.506 144 N CA -1.060 52.018 53.050 0.046 0.000 0.876 144 N CB 1.129 39.667 38.487 0.085 0.000 1.452 144 N HN 0.103 8.483 8.380 -0.000 0.000 0.542 145 Y N -0.052 120.262 120.300 0.024 0.000 2.287 145 Y HA 0.405 4.953 4.550 -0.003 0.000 0.321 145 Y C -1.442 174.505 175.900 0.077 0.000 1.173 145 Y CA -0.707 57.432 58.100 0.065 0.000 1.124 145 Y CB 1.079 39.571 38.460 0.054 0.000 1.201 145 Y HN 0.559 8.839 8.280 -0.000 0.000 0.421 146 N N 2.705 121.285 118.700 -0.200 0.000 2.453 146 N HA 0.157 4.895 4.740 -0.003 0.000 0.253 146 N C -0.270 175.235 175.510 -0.008 0.000 1.252 146 N CA 0.081 53.078 53.050 -0.088 0.000 0.917 146 N CB 1.144 39.563 38.487 -0.114 0.000 1.117 146 N HN 0.515 8.896 8.380 -0.000 0.000 0.442 147 S N 0.398 116.144 115.700 0.077 0.000 2.576 147 S HA 0.273 4.741 4.470 -0.003 0.000 0.276 147 S C 0.040 174.714 174.600 0.123 0.000 1.339 147 S CA -0.211 58.050 58.200 0.102 0.000 1.039 147 S CB 0.173 63.407 63.200 0.055 0.000 0.902 147 S HN 0.849 9.159 8.310 -0.000 0.000 0.516 148 H N -0.790 118.268 119.070 -0.019 0.000 2.887 148 H HA 0.526 5.080 4.556 -0.003 0.000 0.290 148 H C -1.724 173.546 175.328 -0.097 0.000 1.429 148 H CA -1.133 54.884 56.048 -0.052 0.000 1.137 148 H CB 0.422 30.150 29.762 -0.057 0.000 1.824 148 H HN 0.408 8.688 8.280 -0.000 0.000 0.520 149 N N -0.167 118.437 118.700 -0.160 0.000 2.430 149 N HA 0.441 5.179 4.740 -0.003 0.000 0.298 149 N C -1.078 174.222 175.510 -0.351 0.000 1.130 149 N CA -0.733 52.078 53.050 -0.398 0.000 0.894 149 N CB 2.590 40.630 38.487 -0.746 0.000 1.209 149 N HN 0.415 8.795 8.380 -0.000 0.000 0.503 150 V N 2.568 122.204 119.914 -0.464 0.000 2.328 150 V HA 0.262 4.381 4.120 -0.003 0.000 0.278 150 V C -0.852 175.073 176.094 -0.283 0.000 1.021 150 V CA -0.622 61.459 62.300 -0.364 0.000 0.838 150 V CB -0.467 31.099 31.823 -0.429 0.000 0.999 150 V HN 0.465 8.655 8.190 -0.000 0.000 0.447 151 Y N 5.221 125.619 120.300 0.164 0.000 2.365 151 Y HA 0.545 5.093 4.550 -0.003 0.000 0.340 151 Y C 0.387 176.334 175.900 0.079 0.000 1.016 151 Y CA -0.391 57.779 58.100 0.116 0.000 1.196 151 Y CB 0.768 39.290 38.460 0.103 0.000 1.167 151 Y HN 0.454 8.734 8.280 -0.000 0.000 0.509 152 I N 3.270 123.867 120.570 0.044 0.000 2.412 152 I HA 0.475 4.643 4.170 -0.003 0.000 0.296 152 I C -0.187 175.920 176.117 -0.016 0.000 0.987 152 I CA -0.349 60.921 61.300 -0.049 0.000 1.180 152 I CB 1.843 39.671 38.000 -0.286 0.000 1.340 152 I HN 0.551 8.761 8.210 -0.000 0.000 0.455 153 T N 3.781 118.346 114.554 0.018 0.000 2.903 153 T HA 0.612 4.960 4.350 -0.003 0.000 0.299 153 T C -0.324 174.369 174.700 -0.011 0.000 1.093 153 T CA -0.572 61.546 62.100 0.029 0.000 1.002 153 T CB 1.913 70.812 68.868 0.052 0.000 1.127 153 T HN 0.654 8.894 8.240 -0.000 0.000 0.488 154 A N 1.225 124.044 122.820 -0.001 0.000 2.351 154 A HA 0.551 4.869 4.320 -0.003 0.000 0.257 154 A C -0.128 177.435 177.584 -0.037 0.000 1.087 154 A CA -0.222 51.791 52.037 -0.039 0.000 0.798 154 A CB 0.147 19.146 19.000 -0.001 0.000 1.033 154 A HN 0.748 8.898 8.150 -0.000 0.000 0.488 155 D N 0.670 121.027 120.400 -0.071 0.000 2.432 155 D HA 0.255 4.893 4.640 -0.003 0.000 0.265 155 D C 0.646 176.924 176.300 -0.036 0.000 1.160 155 D CA -0.481 53.492 54.000 -0.045 0.000 0.911 155 D CB 1.064 41.828 40.800 -0.060 0.000 1.052 155 D HN 0.413 8.783 8.370 -0.000 0.000 0.508 156 K N 1.947 122.340 120.400 -0.011 0.000 2.148 156 K HA -0.156 4.162 4.320 -0.003 0.000 0.204 156 K C 1.464 178.067 176.600 0.005 0.000 1.050 156 K CA 1.633 57.920 56.287 -0.000 0.000 0.942 156 K CB 0.125 32.631 32.500 0.010 0.000 0.724 156 K HN 0.193 8.443 8.250 -0.000 0.000 0.446 157 Q N 0.625 120.428 119.800 0.005 0.000 2.118 157 Q HA -0.140 4.199 4.340 -0.003 0.000 0.211 157 Q C 1.243 177.250 176.000 0.010 0.000 0.998 157 Q CA 1.926 57.735 55.803 0.010 0.000 0.872 157 Q CB -0.079 28.666 28.738 0.011 0.000 0.925 157 Q HN 0.159 8.429 8.270 -0.000 0.000 0.414 158 K N -0.128 120.272 120.400 0.001 0.000 2.372 158 K HA 0.113 4.431 4.320 -0.003 0.000 0.200 158 K C -0.041 176.567 176.600 0.014 0.000 1.022 158 K CA 0.023 56.313 56.287 0.005 0.000 1.125 158 K CB 0.363 32.858 32.500 -0.009 0.000 0.855 158 K HN 0.199 8.449 8.250 -0.000 0.000 0.524 159 N N 0.778 119.485 118.700 0.013 0.000 2.721 159 N HA -0.179 4.559 4.740 -0.003 0.000 0.249 159 N C -0.227 175.312 175.510 0.050 0.000 1.072 159 N CA 1.067 54.143 53.050 0.043 0.000 0.710 159 N CB -0.817 37.713 38.487 0.071 0.000 0.993 159 N HN 0.476 8.856 8.380 -0.000 0.000 0.547 160 G N -1.176 107.562 108.800 -0.103 0.000 3.058 160 G HA2 0.752 4.710 3.960 -0.003 0.000 0.282 160 G HA3 0.752 4.710 3.960 -0.003 0.000 0.282 160 G C -0.564 173.987 174.900 -0.581 0.000 1.248 160 G CA -0.316 44.537 45.100 -0.412 0.000 0.822 160 G HN 0.503 8.793 8.290 -0.000 0.000 0.579 161 I N -2.632 117.472 120.570 -0.777 0.000 3.002 161 I HA 0.826 4.994 4.170 -0.003 0.000 0.310 161 I C -1.034 174.918 176.117 -0.276 0.000 1.087 161 I CA -1.269 59.725 61.300 -0.511 0.000 1.017 161 I CB 2.551 40.173 38.000 -0.629 0.000 1.226 161 I HN 0.332 8.542 8.210 -0.000 0.000 0.443 162 K N 2.072 122.402 120.400 -0.117 0.000 2.340 162 K HA 0.921 5.239 4.320 -0.003 0.000 0.244 162 K C -1.158 175.499 176.600 0.096 0.000 0.973 162 K CA -0.839 55.449 56.287 0.002 0.000 0.828 162 K CB 2.346 34.929 32.500 0.139 0.000 1.226 162 K HN 0.836 9.086 8.250 -0.000 0.000 0.437 163 A N 1.741 124.679 122.820 0.197 0.000 2.498 163 A HA 0.631 4.949 4.320 -0.003 0.000 0.298 163 A C -1.420 176.418 177.584 0.424 0.000 1.075 163 A CA -0.853 51.376 52.037 0.320 0.000 0.714 163 A CB 1.191 20.427 19.000 0.393 0.000 1.299 163 A HN 0.743 8.893 8.150 -0.000 0.000 0.407 164 N N 0.244 119.224 118.700 0.467 0.000 2.264 164 N HA 0.792 5.530 4.740 -0.003 0.000 0.288 164 N C -1.619 174.224 175.510 0.555 0.000 1.094 164 N CA -0.066 53.202 53.050 0.364 0.000 0.817 164 N CB 2.559 41.173 38.487 0.212 0.000 1.604 164 N HN 0.739 9.119 8.380 -0.000 0.000 0.473 165 F N -1.493 118.593 119.950 0.227 0.000 2.769 165 F HA 0.488 5.013 4.527 -0.003 0.000 0.313 165 F C -1.610 174.246 175.800 0.093 0.000 1.146 165 F CA -1.156 56.961 58.000 0.195 0.000 0.934 165 F CB 1.163 40.270 39.000 0.178 0.000 1.283 165 F HN 0.029 8.329 8.300 -0.000 0.000 0.443 166 K N 2.687 123.207 120.400 0.200 0.000 2.274 166 K HA 0.626 4.944 4.320 -0.003 0.000 0.262 166 K C -1.246 175.320 176.600 -0.057 0.000 0.961 166 K CA -0.766 55.542 56.287 0.034 0.000 0.833 166 K CB 1.913 34.420 32.500 0.012 0.000 1.102 166 K HN 0.446 8.696 8.250 -0.000 0.000 0.436 167 I N 3.460 123.938 120.570 -0.154 0.000 2.359 167 I HA 0.278 4.446 4.170 -0.003 0.000 0.294 167 I C 0.094 176.003 176.117 -0.347 0.000 0.987 167 I CA -0.661 60.412 61.300 -0.378 0.000 1.225 167 I CB 1.331 39.049 38.000 -0.469 0.000 1.366 167 I HN 0.488 8.698 8.210 -0.000 0.000 0.466 168 R N 5.731 126.028 120.500 -0.338 0.000 2.239 168 R HA 0.372 4.710 4.340 -0.003 0.000 0.332 168 R C -0.596 175.573 176.300 -0.219 0.000 0.988 168 R CA -0.736 55.239 56.100 -0.209 0.000 0.859 168 R CB 0.956 31.190 30.300 -0.110 0.000 1.148 168 R HN 0.475 8.745 8.270 -0.000 0.000 0.482 169 H N 2.094 121.158 119.070 -0.009 0.000 2.646 169 H HA 0.135 4.690 4.556 -0.003 0.000 0.325 169 H C 0.013 175.357 175.328 0.026 0.000 1.075 169 H CA -0.362 55.699 56.048 0.021 0.000 1.421 169 H CB 0.909 30.731 29.762 0.100 0.000 1.461 169 H HN 0.326 8.606 8.280 -0.000 0.000 0.525 170 N N 3.868 122.658 118.700 0.150 0.000 2.420 170 N HA 0.091 4.830 4.740 -0.003 0.000 0.262 170 N C 0.433 176.004 175.510 0.101 0.000 1.144 170 N CA -0.021 53.089 53.050 0.099 0.000 0.952 170 N CB 0.800 39.336 38.487 0.081 0.000 1.081 170 N HN 0.435 8.815 8.380 -0.000 0.000 0.480 171 I N 1.195 121.812 120.570 0.078 0.000 2.581 171 I HA -0.009 4.159 4.170 -0.003 0.000 0.288 171 I C 1.908 178.057 176.117 0.053 0.000 1.047 171 I CA -0.439 60.897 61.300 0.061 0.000 1.374 171 I CB 0.851 38.880 38.000 0.049 0.000 1.423 171 I HN 0.565 8.775 8.210 -0.000 0.000 0.549 172 E N 2.784 123.014 120.200 0.048 0.000 2.401 172 E HA -0.231 4.117 4.350 -0.003 0.000 0.199 172 E C 0.443 177.065 176.600 0.036 0.000 1.023 172 E CA 1.105 57.533 56.400 0.046 0.000 0.859 172 E CB -0.213 29.512 29.700 0.042 0.000 0.780 172 E HN 0.787 9.147 8.360 -0.000 0.000 0.523 173 D N -0.446 119.973 120.400 0.032 0.000 2.363 173 D HA 0.113 4.751 4.640 -0.003 0.000 0.214 173 D C 1.317 177.632 176.300 0.025 0.000 1.093 173 D CA 0.435 54.451 54.000 0.026 0.000 0.837 173 D CB 0.543 41.356 40.800 0.021 0.000 0.948 173 D HN 0.300 8.671 8.370 -0.000 0.000 0.507 174 G N -0.540 108.278 108.800 0.030 0.000 2.194 174 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.236 174 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.236 174 G C 0.424 175.340 174.900 0.027 0.000 0.987 174 G CA 0.301 45.417 45.100 0.028 0.000 0.635 174 G HN 0.596 8.886 8.290 -0.000 0.000 0.520 175 S N -1.345 114.372 115.700 0.029 0.000 2.646 175 S HA 0.764 5.232 4.470 -0.003 0.000 0.273 175 S C 0.218 174.839 174.600 0.036 0.000 1.168 175 S CA 0.275 58.492 58.200 0.028 0.000 1.013 175 S CB 1.475 64.690 63.200 0.025 0.000 1.098 175 S HN 0.912 9.222 8.310 -0.000 0.000 0.544 176 V N 1.978 121.914 119.914 0.036 0.000 2.656 176 V HA 0.472 4.590 4.120 -0.003 0.000 0.307 176 V C -0.945 175.186 176.094 0.062 0.000 1.051 176 V CA -0.646 61.681 62.300 0.045 0.000 0.893 176 V CB 1.761 33.597 31.823 0.022 0.000 0.999 176 V HN 0.839 9.029 8.190 -0.000 0.000 0.426 177 Q N 4.115 123.978 119.800 0.105 0.000 2.400 177 Q HA 0.428 4.766 4.340 -0.003 0.000 0.255 177 Q C -1.154 174.940 176.000 0.158 0.000 1.008 177 Q CA -0.304 55.589 55.803 0.151 0.000 0.841 177 Q CB 1.180 30.045 28.738 0.210 0.000 1.220 177 Q HN 0.585 8.855 8.270 -0.000 0.000 0.474 178 L N 3.090 124.363 121.223 0.082 0.000 2.416 178 L HA 0.627 4.965 4.340 -0.003 0.000 0.272 178 L C -0.707 176.151 176.870 -0.020 0.000 1.161 178 L CA 0.317 55.161 54.840 0.006 0.000 0.845 178 L CB 0.577 42.625 42.059 -0.019 0.000 1.119 178 L HN 0.842 9.072 8.230 -0.000 0.000 0.464 179 A N 5.180 127.920 122.820 -0.133 0.000 2.410 179 A HA 0.401 4.719 4.320 -0.003 0.000 0.289 179 A C -0.545 176.894 177.584 -0.242 0.000 1.200 179 A CA -0.771 51.049 52.037 -0.363 0.000 0.751 179 A CB 0.354 19.050 19.000 -0.507 0.000 1.161 179 A HN 0.699 8.849 8.150 -0.000 0.000 0.459 180 D N 1.853 122.078 120.400 -0.291 0.000 2.351 180 D HA 0.311 4.949 4.640 -0.003 0.000 0.251 180 D C -0.674 175.429 176.300 -0.328 0.000 1.137 180 D CA 0.822 54.698 54.000 -0.206 0.000 0.879 180 D CB 0.766 41.463 40.800 -0.171 0.000 1.181 180 D HN 0.583 8.953 8.370 -0.000 0.000 0.448 181 H N 1.064 119.851 119.070 -0.472 0.000 2.489 181 H HA 0.257 4.811 4.556 -0.003 0.000 0.343 181 H C -0.962 174.166 175.328 -0.332 0.000 1.086 181 H CA -0.591 55.107 56.048 -0.584 0.000 1.198 181 H CB 1.022 29.973 29.762 -1.351 0.000 1.490 181 H HN 0.286 8.566 8.280 -0.000 0.000 0.504 182 Y N 2.655 122.845 120.300 -0.183 0.000 2.331 182 Y HA 0.360 4.908 4.550 -0.003 0.000 0.334 182 Y C -0.933 174.972 175.900 0.009 0.000 0.960 182 Y CA -0.912 57.147 58.100 -0.069 0.000 1.130 182 Y CB 1.365 39.793 38.460 -0.054 0.000 1.164 182 Y HN 0.655 8.935 8.280 -0.000 0.000 0.458 183 Q N 5.059 124.780 119.800 -0.131 0.000 2.375 183 Q HA 0.541 4.880 4.340 -0.003 0.000 0.271 183 Q C -1.805 174.038 176.000 -0.261 0.000 1.074 183 Q CA -0.792 54.950 55.803 -0.102 0.000 0.808 183 Q CB 1.962 30.831 28.738 0.218 0.000 1.327 183 Q HN 0.840 9.110 8.270 -0.000 0.000 0.441 184 Q N 2.131 121.795 119.800 -0.227 0.000 2.347 184 Q HA 0.504 4.842 4.340 -0.003 0.000 0.271 184 Q C -1.579 174.370 176.000 -0.084 0.000 1.064 184 Q CA -0.802 54.886 55.803 -0.190 0.000 0.800 184 Q CB 2.226 30.822 28.738 -0.238 0.000 1.304 184 Q HN 0.537 8.807 8.270 -0.000 0.000 0.438 185 N N 0.384 118.999 118.700 -0.142 0.000 2.258 185 N HA 0.599 5.337 4.740 -0.003 0.000 0.299 185 N C -1.589 173.860 175.510 -0.101 0.000 1.047 185 N CA -0.496 52.496 53.050 -0.097 0.000 0.814 185 N CB 2.278 40.622 38.487 -0.238 0.000 1.413 185 N HN 0.336 8.716 8.380 -0.000 0.000 0.478 186 T N 1.612 116.232 114.554 0.111 0.000 2.881 186 T HA 0.532 4.880 4.350 -0.003 0.000 0.290 186 T C -2.789 172.096 174.700 0.309 0.000 1.000 186 T CA -1.317 60.876 62.100 0.155 0.000 0.978 186 T CB 2.027 70.952 68.868 0.096 0.000 0.997 186 T HN 0.264 8.504 8.240 -0.000 0.000 0.443 187 P HA 0.337 4.757 4.420 -0.000 0.000 0.271 187 P C 0.401 177.811 177.300 0.182 0.000 1.218 187 P CA -0.327 62.946 63.100 0.287 0.000 0.780 187 P CB 0.922 32.745 31.700 0.205 0.000 0.901 188 I N 0.316 120.978 120.570 0.153 0.000 2.703 188 I HA 0.044 4.212 4.170 -0.003 0.000 0.259 188 I C 1.685 177.845 176.117 0.072 0.000 1.151 188 I CA 0.785 62.145 61.300 0.101 0.000 1.470 188 I CB -0.523 37.526 38.000 0.082 0.000 1.112 188 I HN 0.411 8.621 8.210 -0.000 0.000 0.437 189 G N 0.695 109.534 108.800 0.064 0.000 2.563 189 G HA2 0.135 4.093 3.960 -0.003 0.000 0.283 189 G HA3 0.135 4.093 3.960 -0.003 0.000 0.283 189 G C -0.148 174.778 174.900 0.042 0.000 1.309 189 G CA -0.066 45.059 45.100 0.043 0.000 1.022 189 G HN 0.229 8.519 8.290 -0.000 0.000 0.501 190 D N -0.970 119.447 120.400 0.028 0.000 2.324 190 D HA 0.154 4.793 4.640 -0.003 0.000 0.212 190 D C 1.639 177.949 176.300 0.017 0.000 0.984 190 D CA 0.388 54.403 54.000 0.024 0.000 0.885 190 D CB -0.438 40.372 40.800 0.017 0.000 0.996 190 D HN 0.569 8.939 8.370 -0.000 0.000 0.505 191 G N 1.499 110.305 108.800 0.009 0.000 2.699 191 G HA2 0.353 4.311 3.960 -0.003 0.000 0.246 191 G HA3 0.353 4.311 3.960 -0.003 0.000 0.246 191 G C -1.974 172.927 174.900 0.001 0.000 1.219 191 G CA -0.773 44.327 45.100 -0.001 0.000 0.866 191 G HN 0.042 8.332 8.290 -0.000 0.000 0.572 192 P HA 0.415 4.835 4.420 -0.000 0.000 0.281 192 P C -0.319 176.969 177.300 -0.021 0.000 1.249 192 P CA -0.322 62.776 63.100 -0.004 0.000 0.810 192 P CB 1.566 33.261 31.700 -0.009 0.000 1.008 193 V N -0.801 119.109 119.914 -0.007 0.000 3.074 193 V HA 0.537 4.655 4.120 -0.003 0.000 0.314 193 V C -0.295 175.798 176.094 -0.000 0.000 1.117 193 V CA -1.325 60.953 62.300 -0.037 0.000 1.014 193 V CB 1.570 33.388 31.823 -0.009 0.000 1.057 193 V HN 0.286 8.476 8.190 -0.000 0.000 0.438 194 L N 2.618 123.825 121.223 -0.027 0.000 2.281 194 L HA 0.460 4.798 4.340 -0.003 0.000 0.285 194 L C -0.474 176.455 176.870 0.098 0.000 1.074 194 L CA -0.208 54.630 54.840 -0.004 0.000 0.817 194 L CB 0.802 42.809 42.059 -0.086 0.000 1.168 194 L HN 0.490 8.720 8.230 -0.000 0.000 0.434 195 L N 6.444 127.713 121.223 0.076 0.000 2.255 195 L HA 0.426 4.764 4.340 -0.003 0.000 0.289 195 L C -1.879 175.057 176.870 0.110 0.000 1.046 195 L CA -1.731 53.157 54.840 0.080 0.000 0.816 195 L CB 0.971 43.062 42.059 0.053 0.000 1.197 195 L HN 0.415 8.645 8.230 -0.000 0.000 0.427 196 P HA 0.216 4.636 4.420 -0.000 0.000 0.281 196 P C -0.934 176.499 177.300 0.222 0.000 1.249 196 P CA -0.637 62.640 63.100 0.295 0.000 0.810 196 P CB 1.230 33.145 31.700 0.357 0.000 1.008 197 D N 0.914 121.431 120.400 0.194 0.000 2.378 197 D HA 0.062 4.700 4.640 -0.003 0.000 0.238 197 D C 0.345 176.716 176.300 0.119 0.000 1.180 197 D CA 0.369 54.402 54.000 0.055 0.000 0.895 197 D CB 0.024 40.764 40.800 -0.100 0.000 1.192 197 D HN 0.244 8.614 8.370 -0.000 0.000 0.438 198 N N 1.896 120.654 118.700 0.096 0.000 2.412 198 N HA 0.057 4.795 4.740 -0.003 0.000 0.258 198 N C 0.165 175.788 175.510 0.189 0.000 1.236 198 N CA 0.516 53.641 53.050 0.124 0.000 0.882 198 N CB 0.194 38.739 38.487 0.097 0.000 1.066 198 N HN 0.481 8.861 8.380 -0.000 0.000 0.465 199 H N -0.724 118.395 119.070 0.082 0.000 2.883 199 H HA 0.399 4.953 4.556 -0.003 0.000 0.277 199 H C -1.334 174.092 175.328 0.163 0.000 1.451 199 H CA -0.851 55.230 56.048 0.055 0.000 1.157 199 H CB 0.690 30.390 29.762 -0.103 0.000 1.851 199 H HN 0.521 8.801 8.280 -0.000 0.000 0.566 200 Y N -0.477 119.785 120.300 -0.064 0.000 2.615 200 Y HA 0.691 5.240 4.550 -0.002 0.000 0.341 200 Y C -1.722 174.061 175.900 -0.195 0.000 1.089 200 Y CA -1.474 56.471 58.100 -0.258 0.000 1.049 200 Y CB 1.524 39.717 38.460 -0.445 0.000 1.296 200 Y HN 0.497 8.777 8.280 -0.000 0.000 0.470 201 L N 2.641 123.786 121.223 -0.129 0.000 2.296 201 L HA 0.515 4.854 4.340 -0.003 0.000 0.286 201 L C -0.016 176.770 176.870 -0.139 0.000 1.023 201 L CA -0.935 53.785 54.840 -0.200 0.000 0.812 201 L CB 1.900 43.806 42.059 -0.255 0.000 1.223 201 L HN 0.796 9.026 8.230 -0.000 0.000 0.421 202 S N 2.186 117.824 115.700 -0.104 0.000 2.430 202 S HA 0.483 4.951 4.470 -0.003 0.000 0.289 202 S C -0.070 174.439 174.600 -0.152 0.000 1.143 202 S CA -0.498 57.657 58.200 -0.075 0.000 1.067 202 S CB 0.425 63.640 63.200 0.025 0.000 0.964 202 S HN 0.696 9.006 8.310 -0.000 0.000 0.485 203 T N 2.975 117.370 114.554 -0.265 0.000 2.863 203 T HA 0.710 5.058 4.350 -0.003 0.000 0.285 203 T C -1.117 173.549 174.700 -0.057 0.000 1.009 203 T CA -0.840 61.153 62.100 -0.178 0.000 0.989 203 T CB 1.506 70.228 68.868 -0.242 0.000 1.004 203 T HN 0.602 8.841 8.240 -0.000 0.000 0.455 204 Q N 1.409 121.260 119.800 0.084 0.000 2.305 204 Q HA 0.687 5.026 4.340 -0.003 0.000 0.271 204 Q C -1.290 174.830 176.000 0.200 0.000 1.046 204 Q CA -0.733 55.169 55.803 0.165 0.000 0.798 204 Q CB 2.683 31.525 28.738 0.172 0.000 1.286 204 Q HN 0.759 9.029 8.270 -0.000 0.000 0.435 205 S N 0.858 116.695 115.700 0.228 0.000 2.538 205 S HA 0.870 5.338 4.470 -0.003 0.000 0.288 205 S C -1.280 173.398 174.600 0.130 0.000 1.108 205 S CA -0.882 57.408 58.200 0.150 0.000 0.971 205 S CB 1.749 65.006 63.200 0.095 0.000 1.041 205 S HN 0.656 8.966 8.310 -0.000 0.000 0.483 206 A N 3.374 126.229 122.820 0.058 0.000 2.318 206 A HA 0.779 5.098 4.320 -0.003 0.000 0.317 206 A C -0.739 176.825 177.584 -0.033 0.000 1.159 206 A CA -0.662 51.397 52.037 0.036 0.000 0.799 206 A CB 0.422 19.455 19.000 0.055 0.000 1.194 206 A HN 0.799 8.949 8.150 -0.000 0.000 0.479 207 L N 2.599 123.766 121.223 -0.093 0.000 2.309 207 L HA 0.722 5.060 4.340 -0.003 0.000 0.282 207 L C 0.516 177.353 176.870 -0.056 0.000 1.036 207 L CA -0.354 54.351 54.840 -0.224 0.000 0.806 207 L CB 1.661 43.318 42.059 -0.669 0.000 1.220 207 L HN 0.922 9.152 8.230 -0.000 0.000 0.429 208 S N 1.930 117.679 115.700 0.082 0.000 2.739 208 S HA 0.687 5.155 4.470 -0.003 0.000 0.285 208 S C -1.285 173.422 174.600 0.178 0.000 1.181 208 S CA -1.097 57.215 58.200 0.188 0.000 0.827 208 S CB 2.718 65.972 63.200 0.090 0.000 1.178 208 S HN 0.409 8.719 8.310 -0.000 0.000 0.498 209 K N 0.911 121.377 120.400 0.111 0.000 2.375 209 K HA 0.474 4.792 4.320 -0.003 0.000 0.249 209 K C -1.700 175.038 176.600 0.230 0.000 0.942 209 K CA -0.522 55.829 56.287 0.106 0.000 0.806 209 K CB 1.851 34.328 32.500 -0.038 0.000 1.227 209 K HN 0.803 9.053 8.250 -0.000 0.000 0.430 210 D N 3.355 124.022 120.400 0.445 0.000 2.295 210 D HA 0.130 4.769 4.640 -0.003 0.000 0.248 210 D C -1.403 174.925 176.300 0.048 0.000 1.154 210 D CA -2.030 52.024 54.000 0.090 0.000 0.857 210 D CB 1.229 41.960 40.800 -0.115 0.000 1.117 210 D HN 0.102 8.472 8.370 -0.000 0.000 0.468 211 P HA -0.072 4.348 4.420 -0.000 0.000 0.223 211 P C 0.323 177.618 177.300 -0.008 0.000 1.151 211 P CA 0.658 63.769 63.100 0.018 0.000 0.787 211 P CB 0.448 32.154 31.700 0.009 0.000 0.788 212 N N -0.037 118.640 118.700 -0.039 0.000 2.235 212 N HA 0.023 4.761 4.740 -0.003 0.000 0.209 212 N C 0.080 175.542 175.510 -0.080 0.000 1.122 212 N CA 0.093 53.114 53.050 -0.049 0.000 0.845 212 N CB 0.437 38.896 38.487 -0.046 0.000 1.004 212 N HN 0.171 8.551 8.380 -0.000 0.000 0.499 213 E N 0.954 121.075 120.200 -0.131 0.000 2.115 213 E HA 0.193 4.542 4.350 -0.003 0.000 0.282 213 E C 0.142 176.694 176.600 -0.079 0.000 0.987 213 E CA -0.227 56.044 56.400 -0.215 0.000 0.797 213 E CB 0.988 30.297 29.700 -0.651 0.000 1.086 213 E HN -0.212 8.148 8.360 -0.000 0.000 0.397 214 K N 2.411 122.790 120.400 -0.035 0.000 2.356 214 K HA 0.211 4.530 4.320 -0.003 0.000 0.195 214 K C 0.132 176.767 176.600 0.058 0.000 1.037 214 K CA 0.168 56.467 56.287 0.020 0.000 1.014 214 K CB 0.276 32.780 32.500 0.007 0.000 0.815 214 K HN 0.330 8.580 8.250 -0.000 0.000 0.507 215 R N 1.250 121.784 120.500 0.056 0.000 2.582 215 R HA 0.072 4.411 4.340 -0.003 0.000 0.271 215 R C -0.318 176.134 176.300 0.254 0.000 1.078 215 R CA -0.530 55.640 56.100 0.116 0.000 1.127 215 R CB 0.325 30.680 30.300 0.092 0.000 1.038 215 R HN -0.009 8.261 8.270 -0.000 0.000 0.500 216 D N 2.256 122.809 120.400 0.255 0.000 2.417 216 D HA -0.001 4.638 4.640 -0.003 0.000 0.250 216 D C -0.411 176.204 176.300 0.525 0.000 1.166 216 D CA 0.723 54.937 54.000 0.357 0.000 0.881 216 D CB 0.354 41.333 40.800 0.298 0.000 1.164 216 D HN 0.547 8.917 8.370 -0.000 0.000 0.467 217 H N 1.406 120.576 119.070 0.167 0.000 2.948 217 H HA 0.515 5.069 4.556 -0.003 0.000 0.315 217 H C -1.626 173.144 175.328 -0.930 0.000 1.360 217 H CA -1.131 54.761 56.048 -0.259 0.000 1.125 217 H CB 0.899 30.589 29.762 -0.119 0.000 1.844 217 H HN 0.412 8.692 8.280 -0.000 0.000 0.529 218 M N 2.255 121.299 119.600 -0.927 0.000 2.238 218 M HA 0.407 4.885 4.480 -0.003 0.000 0.278 218 M C -2.103 174.129 176.300 -0.113 0.000 1.040 218 M CA -0.705 54.192 55.300 -0.672 0.000 0.969 218 M CB 1.875 33.920 32.600 -0.925 0.000 1.694 218 M HN 0.384 8.674 8.290 -0.000 0.000 0.472 219 V N 5.283 125.191 119.914 -0.010 0.000 2.439 219 V HA 0.582 4.700 4.120 -0.003 0.000 0.282 219 V C -0.871 175.226 176.094 0.006 0.000 1.039 219 V CA -0.673 61.642 62.300 0.025 0.000 0.913 219 V CB 1.501 33.353 31.823 0.048 0.000 0.983 219 V HN 0.757 8.947 8.190 -0.000 0.000 0.460 220 L N 6.355 127.584 121.223 0.010 0.000 2.381 220 L HA 0.726 5.064 4.340 -0.003 0.000 0.274 220 L C -1.141 175.694 176.870 -0.057 0.000 0.988 220 L CA -0.466 54.373 54.840 -0.002 0.000 0.824 220 L CB 1.732 43.861 42.059 0.115 0.000 1.263 220 L HN 0.618 8.848 8.230 -0.000 0.000 0.410 221 L N 4.454 125.627 121.223 -0.083 0.000 2.325 221 L HA 0.674 5.012 4.340 -0.003 0.000 0.281 221 L C -0.937 175.810 176.870 -0.204 0.000 1.004 221 L CA 0.161 54.901 54.840 -0.166 0.000 0.823 221 L CB 1.464 43.452 42.059 -0.117 0.000 1.236 221 L HN 0.812 9.042 8.230 -0.000 0.000 0.415 222 E N 3.971 123.970 120.200 -0.335 0.000 2.272 222 E HA 0.517 4.866 4.350 -0.003 0.000 0.269 222 E C -1.822 174.489 176.600 -0.482 0.000 0.877 222 E CA -0.608 55.641 56.400 -0.252 0.000 0.755 222 E CB 1.370 31.006 29.700 -0.107 0.000 1.192 222 E HN 0.540 8.900 8.360 -0.000 0.000 0.422 223 F N 2.462 122.416 119.950 0.006 0.000 2.495 223 F HA 0.542 5.067 4.527 -0.003 0.000 0.327 223 F C -0.536 175.241 175.800 -0.038 0.000 1.103 223 F CA -0.818 57.182 58.000 -0.000 0.000 0.949 223 F CB 1.963 40.968 39.000 0.008 0.000 1.142 223 F HN 0.124 8.424 8.300 -0.000 0.000 0.457 224 V N 2.043 122.030 119.914 0.123 0.000 2.569 224 V HA 0.550 4.668 4.120 -0.003 0.000 0.301 224 V C -0.789 175.285 176.094 -0.034 0.000 1.044 224 V CA -0.609 61.678 62.300 -0.022 0.000 0.874 224 V CB 2.053 33.806 31.823 -0.118 0.000 1.002 224 V HN 0.818 9.008 8.190 -0.000 0.000 0.424 225 T N 3.637 118.134 114.554 -0.095 0.000 2.879 225 T HA 0.693 5.042 4.350 -0.003 0.000 0.290 225 T C 0.048 174.581 174.700 -0.278 0.000 0.993 225 T CA -0.312 61.703 62.100 -0.142 0.000 0.975 225 T CB 1.775 70.593 68.868 -0.084 0.000 0.981 225 T HN 0.942 9.182 8.240 -0.000 0.000 0.439 226 A N 2.466 125.015 122.820 -0.452 0.000 2.425 226 A HA 0.871 5.190 4.320 -0.003 0.000 0.249 226 A C 0.416 177.701 177.584 -0.498 0.000 1.084 226 A CA -0.110 51.552 52.037 -0.625 0.000 0.781 226 A CB 0.060 18.259 19.000 -1.335 0.000 1.019 226 A HN 1.277 9.427 8.150 -0.000 0.000 0.490 227 A N 0.107 122.571 122.820 -0.594 0.000 2.524 227 A HA 0.797 5.116 4.320 -0.003 0.000 0.303 227 A C 0.650 177.844 177.584 -0.650 0.000 1.195 227 A CA -0.006 51.682 52.037 -0.582 0.000 0.651 227 A CB -0.122 18.525 19.000 -0.589 0.000 1.323 227 A HN 2.638 10.788 8.150 -0.000 0.000 0.479 228 G N -1.323 107.259 108.800 -0.365 0.000 2.141 228 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.231 228 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.231 228 G C 0.015 174.940 174.900 0.043 0.000 0.984 228 G CA 0.498 45.586 45.100 -0.020 0.000 0.660 228 G HN 0.951 9.241 8.290 -0.000 0.000 0.525 229 I N 0.000 120.576 120.570 0.010 0.000 2.984 229 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 229 I CA 0.000 61.318 61.300 0.030 0.000 1.566 229 I CB 0.000 37.967 38.000 -0.056 0.000 1.214 229 I HN 0.000 8.210 8.210 -0.000 0.000 0.494