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 2f33_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAESHLQSSL ITASQFFEIW LHFDADGSGY LEGKELQNLI QELLQARKKA DATA SEQUENCE GLELSPEMKT FVDQYGQRDD GKIGIVELAH VLPTEENFLL LFRCQQLKSC DATA SEQUENCE EEFMKTWRKY DTDHSGFIET EELKNFLKDL LEKANKTVDD TKLAEYTDLM DATA SEQUENCE LKLFDSNNDG KLELTEMARL LPVQENFLLK FQGIKMCGKE FNKAFELYDQ DATA SEQUENCE DGNGYIDENE LDALLKDLCE KNKQELDINN ISTYKKNIMA LSDGGKLYRT DATA SEQUENCE DLALILSAGD N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.297 4.480 -0.305 0.000 0.227 1 M C 0.000 176.177 176.300 -0.204 0.000 1.140 1 M CA 0.000 55.161 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.173 0.000 1.302 2 A N 1.739 124.554 122.820 -0.009 0.000 1.869 2 A HA -0.451 3.950 4.320 0.136 0.000 0.218 2 A C 1.226 178.835 177.584 0.042 0.000 1.203 2 A CA 4.283 56.387 52.037 0.112 0.000 0.638 2 A CB -0.815 18.358 19.000 0.287 0.000 0.831 2 A HN 0.370 8.523 8.150 0.005 0.000 0.450 3 E N -2.562 117.658 120.200 0.034 0.000 2.187 3 E HA -0.379 3.997 4.350 0.043 0.000 0.199 3 E C 1.795 178.368 176.600 -0.044 0.000 1.004 3 E CA 2.943 59.350 56.400 0.012 0.000 0.813 3 E CB -0.730 28.978 29.700 0.013 0.000 0.736 3 E HN 0.522 8.927 8.360 0.076 0.000 0.468 4 S N -2.016 113.592 115.700 -0.154 0.000 2.341 4 S HA -0.092 4.311 4.470 -0.112 0.000 0.216 4 S C 1.590 176.104 174.600 -0.142 0.000 1.034 4 S CA 2.666 60.735 58.200 -0.218 0.000 0.964 4 S CB 0.504 63.451 63.200 -0.421 0.000 0.882 4 S HN -0.285 7.740 8.310 -0.200 0.165 0.469 5 H N 0.229 119.321 119.070 0.035 0.000 2.482 5 H HA -0.018 4.559 4.556 0.035 0.000 0.286 5 H C 2.648 178.008 175.328 0.053 0.000 1.017 5 H CA 1.277 57.351 56.048 0.042 0.000 1.322 5 H CB 0.398 30.186 29.762 0.045 0.000 1.426 5 H HN -0.185 7.774 8.280 -0.534 0.000 0.546 6 L N 1.100 122.412 121.223 0.149 0.000 1.990 6 L HA -0.244 4.183 4.340 0.144 0.000 0.213 6 L C 0.870 177.787 176.870 0.079 0.000 1.072 6 L CA 3.089 58.003 54.840 0.122 0.000 0.755 6 L CB -0.465 41.664 42.059 0.118 0.000 0.889 6 L HN 0.596 8.766 8.230 0.103 0.122 0.432 7 Q N -5.047 114.789 119.800 0.061 0.000 2.182 7 Q HA 0.194 4.555 4.340 0.036 0.000 0.270 7 Q C -0.484 175.542 176.000 0.043 0.000 0.861 7 Q CA -0.988 54.840 55.803 0.042 0.000 1.098 7 Q CB -1.299 27.457 28.738 0.030 0.000 1.188 7 Q HN -0.013 8.291 8.270 0.057 0.000 0.464 8 S N 1.004 116.744 115.700 0.066 0.000 2.324 8 S HA -0.091 4.410 4.470 0.052 0.000 0.210 8 S C -0.044 174.592 174.600 0.060 0.000 1.027 8 S CA 1.250 59.493 58.200 0.071 0.000 0.945 8 S CB 0.972 64.248 63.200 0.128 0.000 0.908 8 S HN -0.426 7.738 8.310 0.088 0.198 0.496 9 S N -1.338 114.402 115.700 0.067 0.000 2.819 9 S HA 0.231 4.722 4.470 0.036 0.000 0.299 9 S C -2.011 172.613 174.600 0.040 0.000 1.192 9 S CA -0.659 57.569 58.200 0.047 0.000 0.847 9 S CB 2.406 65.634 63.200 0.047 0.000 1.224 9 S HN -0.555 7.809 8.310 0.089 0.000 0.537 10 L N -0.324 120.918 121.223 0.031 0.000 2.385 10 L HA 0.646 5.323 4.340 0.013 -0.330 0.285 10 L C -0.473 176.426 176.870 0.048 0.000 1.125 10 L CA -0.174 54.682 54.840 0.027 0.000 0.890 10 L CB -0.234 41.839 42.059 0.024 0.000 1.251 10 L HN 0.072 8.320 8.230 0.029 0.000 0.445 11 I N 1.264 121.869 120.570 0.058 0.000 2.662 11 I HA 0.130 4.327 4.170 0.046 0.000 0.291 11 I C 0.790 176.992 176.117 0.143 0.000 1.046 11 I CA -1.706 59.639 61.300 0.075 0.000 1.361 11 I CB 0.352 38.400 38.000 0.080 0.000 1.429 11 I HN -0.312 7.927 8.210 0.049 0.000 0.558 12 T N 1.001 115.634 114.554 0.130 0.000 2.689 12 T HA 0.071 4.574 4.350 0.255 0.000 0.308 12 T C 0.922 175.842 174.700 0.367 0.000 1.021 12 T CA -1.483 60.730 62.100 0.189 0.000 0.973 12 T CB 1.803 70.690 68.868 0.031 0.000 1.113 12 T HN -0.316 8.131 8.240 0.060 -0.171 0.522 13 A N 0.663 123.736 122.820 0.421 0.000 1.898 13 A HA -0.275 4.708 4.320 1.105 0.000 0.216 13 A C 1.939 179.580 177.584 0.095 0.000 1.181 13 A CA 3.384 55.748 52.037 0.545 0.000 0.620 13 A CB -0.462 18.808 19.000 0.449 0.000 0.819 13 A HN 0.769 9.028 8.150 0.182 0.000 0.442 14 S N -1.394 114.332 115.700 0.044 0.000 2.402 14 S HA -0.316 4.221 4.470 0.112 0.000 0.229 14 S C 2.223 176.846 174.600 0.038 0.000 1.021 14 S CA 3.246 61.480 58.200 0.056 0.000 0.974 14 S CB -0.708 62.513 63.200 0.035 0.000 0.800 14 S HN -0.246 8.087 8.310 0.040 0.000 0.484 15 Q N 2.513 122.321 119.800 0.014 0.000 1.990 15 Q HA -0.306 3.995 4.340 -0.065 0.000 0.200 15 Q C 2.214 178.232 176.000 0.030 0.000 0.980 15 Q CA 3.695 59.483 55.803 -0.025 0.000 0.832 15 Q CB 0.067 28.755 28.738 -0.082 0.000 0.897 15 Q HN -0.907 7.370 8.270 0.041 0.018 0.427 16 F N 0.832 120.790 119.950 0.014 0.000 2.202 16 F HA -0.348 4.188 4.527 0.014 0.000 0.301 16 F C 1.311 177.084 175.800 -0.045 0.000 1.082 16 F CA 2.239 60.228 58.000 -0.018 0.000 1.313 16 F CB -0.345 38.600 39.000 -0.091 0.000 1.024 16 F HN -0.231 8.231 8.300 0.270 0.000 0.495 17 F N -0.031 119.279 119.950 -1.066 0.000 2.325 17 F HA -0.320 3.106 4.527 -1.836 0.000 0.299 17 F C 1.221 176.885 175.800 -0.227 0.000 1.090 17 F CA 1.887 59.253 58.000 -1.056 0.000 1.392 17 F CB 0.117 38.649 39.000 -0.780 0.000 1.053 17 F HN -0.085 7.720 8.300 -0.485 0.203 0.521 18 E N 0.500 120.556 120.200 -0.240 0.000 2.042 18 E HA -0.212 3.926 4.350 -0.353 0.000 0.189 18 E C 2.210 178.722 176.600 -0.146 0.000 0.974 18 E CA 2.473 58.745 56.400 -0.213 0.000 0.806 18 E CB -0.172 29.472 29.700 -0.092 0.000 0.769 18 E HN -0.153 7.929 8.360 -0.141 0.193 0.451 19 I N -0.340 120.213 120.570 -0.028 0.000 2.248 19 I HA -0.284 3.897 4.170 0.020 0.000 0.248 19 I C 2.205 178.158 176.117 -0.274 0.000 1.107 19 I CA 3.788 65.094 61.300 0.009 0.000 1.373 19 I CB -0.046 38.060 38.000 0.177 0.000 1.055 19 I HN 0.559 8.664 8.210 0.012 0.112 0.418 20 W N -2.180 118.829 121.300 -0.486 0.000 2.518 20 W HA -0.190 3.282 4.660 -1.980 0.000 0.273 20 W C 0.428 176.346 176.519 -1.001 0.000 1.247 20 W CA 0.443 57.295 57.345 -0.820 0.000 1.288 20 W CB -0.542 28.949 29.460 0.052 0.000 1.107 20 W HN -0.238 7.990 8.180 0.108 0.017 0.586 21 L N 1.012 122.019 121.223 -0.360 0.000 2.141 21 L HA -0.434 3.529 4.340 -0.628 0.000 0.209 21 L C 0.917 177.522 176.870 -0.442 0.000 1.094 21 L CA 2.702 57.245 54.840 -0.494 0.000 0.763 21 L CB -1.273 40.500 42.059 -0.476 0.000 0.908 21 L HN -0.722 7.282 8.230 -0.111 0.159 0.437 22 H N -1.362 117.343 119.070 -0.609 0.000 2.289 22 H HA -0.345 4.046 4.556 -0.275 0.000 0.294 22 H C 1.629 176.742 175.328 -0.358 0.000 1.095 22 H CA 3.113 58.898 56.048 -0.439 0.000 1.256 22 H CB 0.486 30.015 29.762 -0.389 0.000 1.359 22 H HN -0.087 7.797 8.280 -0.439 0.133 0.487 23 F N -9.201 110.670 119.950 -0.132 0.000 2.743 23 F HA 0.087 4.476 4.527 -0.229 0.000 0.297 23 F C 0.227 175.897 175.800 -0.217 0.000 1.131 23 F CA -1.654 56.214 58.000 -0.220 0.000 1.426 23 F CB -0.117 38.747 39.000 -0.226 0.000 1.116 23 F HN -0.940 6.318 8.300 -1.737 0.000 0.583 24 D N 2.619 122.868 120.400 -0.250 0.000 2.745 24 D HA -0.079 4.426 4.640 -0.226 0.000 0.229 24 D C 0.099 176.291 176.300 -0.180 0.000 1.088 24 D CA -0.825 52.994 54.000 -0.302 0.000 1.054 24 D CB -1.423 38.997 40.800 -0.634 0.000 1.132 24 D HN -0.240 7.631 8.370 -0.532 0.179 0.464 25 A N 2.308 125.073 122.820 -0.091 0.000 1.877 25 A HA -0.241 4.045 4.320 -0.056 0.000 0.216 25 A C 1.031 178.586 177.584 -0.048 0.000 1.186 25 A CA 2.597 54.601 52.037 -0.056 0.000 0.620 25 A CB -0.047 18.938 19.000 -0.026 0.000 0.822 25 A HN 0.271 8.310 8.150 -0.057 0.077 0.443 26 D N -3.930 116.443 120.400 -0.044 0.000 2.363 26 D HA -0.101 4.530 4.640 -0.016 0.000 0.226 26 D C 0.705 176.994 176.300 -0.018 0.000 1.020 26 D CA 0.575 54.561 54.000 -0.024 0.000 0.892 26 D CB 0.110 40.900 40.800 -0.016 0.000 0.900 26 D HN -0.084 8.255 8.370 -0.052 0.000 0.531 27 G N -0.589 108.186 108.800 -0.042 0.000 2.352 27 G HA2 -0.372 3.559 3.960 -0.049 0.000 0.295 27 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.295 27 G C 0.506 175.429 174.900 0.038 0.000 0.991 27 G CA 1.197 46.287 45.100 -0.017 0.000 0.796 27 G HN -0.597 7.443 8.290 -0.076 0.205 0.511 28 S N -0.290 115.433 115.700 0.039 0.000 2.711 28 S HA -0.212 4.302 4.470 0.074 0.000 0.237 28 S C 0.667 175.376 174.600 0.182 0.000 0.971 28 S CA 0.949 59.200 58.200 0.085 0.000 0.964 28 S CB -0.343 62.895 63.200 0.063 0.000 0.775 28 S HN -0.014 8.223 8.310 0.006 0.077 0.540 29 G N -1.844 107.067 108.800 0.185 0.000 2.155 29 G HA2 -0.318 3.808 3.960 0.278 0.000 0.257 29 G HA3 -0.318 3.800 3.960 0.264 0.000 0.257 29 G C -1.294 173.793 174.900 0.311 0.000 0.983 29 G CA 0.586 45.846 45.100 0.266 0.000 0.676 29 G HN 0.422 8.623 8.290 0.119 0.161 0.528 30 Y N -3.080 117.260 120.300 0.065 0.000 2.521 30 Y HA 0.101 4.835 4.550 0.212 -0.057 0.332 30 Y C -1.699 174.030 175.900 -0.285 0.000 1.121 30 Y CA -0.527 57.582 58.100 0.014 0.000 1.037 30 Y CB 3.492 42.000 38.460 0.081 0.000 1.330 30 Y HN -0.969 7.358 8.280 0.175 0.058 0.452 31 L N 0.507 121.485 121.223 -0.409 0.000 2.456 31 L HA 0.025 4.100 4.340 -0.442 0.000 0.272 31 L C -0.130 176.691 176.870 -0.081 0.000 1.189 31 L CA -0.132 54.487 54.840 -0.368 0.000 0.846 31 L CB 1.072 42.933 42.059 -0.330 0.000 1.111 31 L HN 0.208 8.178 8.230 -0.433 0.000 0.475 32 E N 3.225 123.385 120.200 -0.067 0.000 3.655 32 E HA 0.032 4.382 4.350 -0.001 0.000 0.280 32 E C 1.189 177.783 176.600 -0.010 0.000 1.425 32 E CA 0.611 56.998 56.400 -0.022 0.000 1.341 32 E CB 1.370 31.055 29.700 -0.025 0.000 1.349 32 E HN 0.468 8.775 8.360 -0.088 0.000 0.775 33 G N -0.695 108.104 108.800 -0.002 0.000 2.471 33 G HA2 -0.020 4.091 3.960 0.030 0.000 0.211 33 G HA3 -0.020 4.131 3.960 0.014 -0.182 0.211 33 G C 0.706 175.601 174.900 -0.008 0.000 1.194 33 G CA 1.610 46.716 45.100 0.010 0.000 0.816 33 G HN 0.486 8.773 8.290 -0.005 0.000 0.545 34 K N 0.405 120.795 120.400 -0.016 0.000 2.026 34 K HA -0.321 4.051 4.320 -0.022 -0.065 0.208 34 K C 1.876 178.447 176.600 -0.048 0.000 1.048 34 K CA 3.276 59.548 56.287 -0.025 0.000 0.929 34 K CB -0.415 32.073 32.500 -0.020 0.000 0.713 34 K HN -0.065 8.177 8.250 -0.012 0.000 0.439 35 E N -1.351 118.819 120.200 -0.050 0.000 2.233 35 E HA -0.308 4.010 4.350 -0.054 0.000 0.199 35 E C 2.523 179.018 176.600 -0.175 0.000 1.004 35 E CA 3.129 59.488 56.400 -0.070 0.000 0.819 35 E CB -1.055 28.627 29.700 -0.031 0.000 0.738 35 E HN 0.309 8.647 8.360 -0.036 0.000 0.478 36 L N -2.231 118.918 121.223 -0.122 0.000 2.131 36 L HA -0.168 4.034 4.340 -0.230 0.000 0.206 36 L C 1.680 178.490 176.870 -0.100 0.000 1.087 36 L CA 3.243 58.007 54.840 -0.126 0.000 0.767 36 L CB 0.074 42.115 42.059 -0.030 0.000 0.917 36 L HN -0.765 7.309 8.230 -0.070 0.114 0.441 37 Q N -1.115 118.647 119.800 -0.063 0.000 2.230 37 Q HA -0.279 4.047 4.340 -0.023 0.000 0.202 37 Q C 1.893 177.845 176.000 -0.080 0.000 0.963 37 Q CA 2.926 58.702 55.803 -0.046 0.000 0.866 37 Q CB -0.280 28.442 28.738 -0.026 0.000 0.931 37 Q HN 0.276 8.383 8.270 -0.054 0.131 0.452 38 N N -1.811 116.820 118.700 -0.116 0.000 2.290 38 N HA -0.140 4.551 4.740 -0.083 0.000 0.179 38 N C 2.055 177.428 175.510 -0.228 0.000 1.016 38 N CA 2.639 55.615 53.050 -0.123 0.000 0.871 38 N CB 0.678 39.114 38.487 -0.084 0.000 0.987 38 N HN 0.311 8.443 8.380 -0.117 0.178 0.431 39 L N -0.337 120.595 121.223 -0.486 0.000 2.034 39 L HA -0.084 3.715 4.340 -0.903 0.000 0.203 39 L C 1.751 178.324 176.870 -0.496 0.000 1.074 39 L CA 3.501 57.711 54.840 -1.050 0.000 0.748 39 L CB -0.475 40.087 42.059 -2.496 0.000 0.905 39 L HN 0.289 8.036 8.230 -0.428 0.226 0.439 40 I N -0.530 119.870 120.570 -0.283 0.000 2.399 40 I HA -0.555 3.613 4.170 -0.003 0.000 0.254 40 I C 1.633 177.730 176.117 -0.034 0.000 1.146 40 I CA 4.232 65.504 61.300 -0.048 0.000 1.412 40 I CB -0.533 37.514 38.000 0.078 0.000 1.076 40 I HN 0.202 8.124 8.210 -0.302 0.107 0.432 41 Q N -1.246 118.512 119.800 -0.070 0.000 2.230 41 Q HA -0.300 4.033 4.340 -0.013 0.000 0.202 41 Q C 1.624 177.612 176.000 -0.019 0.000 0.963 41 Q CA 3.103 58.885 55.803 -0.035 0.000 0.866 41 Q CB -0.380 28.333 28.738 -0.041 0.000 0.931 41 Q HN -0.131 7.923 8.270 -0.122 0.143 0.452 42 E N -0.938 119.242 120.200 -0.033 0.000 2.299 42 E HA -0.135 4.234 4.350 0.031 0.000 0.193 42 E C 1.888 178.518 176.600 0.050 0.000 0.998 42 E CA 1.646 58.061 56.400 0.026 0.000 0.851 42 E CB 0.010 29.754 29.700 0.073 0.000 0.795 42 E HN -0.001 8.128 8.360 -0.093 0.175 0.492 43 L N 0.846 122.084 121.223 0.025 0.000 1.988 43 L HA -0.284 4.097 4.340 0.068 0.000 0.207 43 L C 1.104 177.995 176.870 0.036 0.000 1.071 43 L CA 3.268 58.133 54.840 0.040 0.000 0.744 43 L CB -0.182 41.889 42.059 0.021 0.000 0.893 43 L HN -0.126 7.940 8.230 -0.019 0.152 0.433 44 L N -4.892 116.349 121.223 0.030 0.000 2.261 44 L HA -0.456 3.902 4.340 0.029 0.000 0.216 44 L C 2.609 179.494 176.870 0.025 0.000 1.114 44 L CA 3.536 58.393 54.840 0.028 0.000 0.777 44 L CB -1.162 40.911 42.059 0.025 0.000 0.910 44 L HN -0.476 7.770 8.230 0.027 0.000 0.440 45 Q N -0.783 119.034 119.800 0.028 0.000 2.123 45 Q HA -0.242 4.112 4.340 0.023 0.000 0.196 45 Q C 2.105 178.125 176.000 0.034 0.000 0.958 45 Q CA 2.947 58.767 55.803 0.029 0.000 0.841 45 Q CB -0.251 28.506 28.738 0.032 0.000 0.915 45 Q HN -0.319 7.880 8.270 0.029 0.089 0.455 46 A N -0.003 122.844 122.820 0.045 0.000 2.019 46 A HA -0.295 4.051 4.320 0.043 0.000 0.219 46 A C 2.365 179.968 177.584 0.033 0.000 1.164 46 A CA 3.183 55.248 52.037 0.046 0.000 0.644 46 A CB -0.808 18.232 19.000 0.066 0.000 0.805 46 A HN 0.461 8.436 8.150 0.050 0.206 0.449 47 R N -2.668 117.849 120.500 0.029 0.000 2.057 47 R HA -0.187 4.128 4.340 0.021 0.037 0.224 47 R C 1.983 178.294 176.300 0.018 0.000 1.136 47 R CA 2.399 58.512 56.100 0.022 0.000 0.968 47 R CB -0.289 30.023 30.300 0.020 0.000 0.863 47 R HN -0.104 8.060 8.270 0.032 0.125 0.433 48 K N -0.085 120.325 120.400 0.018 0.000 2.097 48 K HA -0.254 4.074 4.320 0.013 0.000 0.206 48 K C 2.620 179.229 176.600 0.014 0.000 1.049 48 K CA 3.199 59.495 56.287 0.015 0.000 0.933 48 K CB -0.003 32.506 32.500 0.014 0.000 0.717 48 K HN -0.255 8.007 8.250 0.020 0.000 0.442 49 K N -2.057 118.353 120.400 0.017 0.000 2.067 49 K HA -0.131 4.196 4.320 0.012 0.000 0.203 49 K C 1.505 178.113 176.600 0.012 0.000 1.048 49 K CA 2.050 58.346 56.287 0.014 0.000 0.954 49 K CB 0.489 32.999 32.500 0.018 0.000 0.737 49 K HN 0.305 8.428 8.250 0.020 0.139 0.444 50 A N -3.253 119.576 122.820 0.014 0.000 2.235 50 A HA -0.006 4.319 4.320 0.008 0.000 0.208 50 A C 0.195 177.786 177.584 0.012 0.000 1.172 50 A CA -0.016 52.028 52.037 0.012 0.000 0.786 50 A CB 0.113 19.122 19.000 0.016 0.000 0.804 50 A HN -0.299 7.736 8.150 0.018 0.126 0.479 51 G N -2.211 106.596 108.800 0.011 0.000 2.160 51 G HA2 -0.261 3.704 3.960 0.009 0.000 0.244 51 G HA3 -0.261 3.704 3.960 0.009 0.000 0.244 51 G C -0.739 174.167 174.900 0.010 0.000 1.022 51 G CA 0.084 45.190 45.100 0.010 0.000 0.741 51 G HN -0.581 7.583 8.290 0.012 0.134 0.508 52 L N -0.720 120.510 121.223 0.011 0.000 2.356 52 L HA 0.159 4.504 4.340 0.009 0.000 0.277 52 L C -0.782 176.094 176.870 0.011 0.000 0.996 52 L CA -1.480 53.367 54.840 0.010 0.000 0.822 52 L CB 1.440 43.506 42.059 0.011 0.000 1.256 52 L HN 0.099 8.200 8.230 0.013 0.137 0.413 53 E N 0.888 121.093 120.200 0.008 0.000 2.438 53 E HA -0.245 4.111 4.350 0.010 0.000 0.261 53 E C -0.540 176.066 176.600 0.010 0.000 1.103 53 E CA 0.402 56.807 56.400 0.009 0.000 0.959 53 E CB 0.585 30.289 29.700 0.006 0.000 0.958 53 E HN 0.254 8.618 8.360 0.007 0.000 0.447 54 L N 1.448 122.679 121.223 0.013 0.000 2.367 54 L HA -0.049 4.300 4.340 0.015 0.000 0.275 54 L C -0.576 176.302 176.870 0.013 0.000 1.129 54 L CA -0.056 54.793 54.840 0.016 0.000 0.839 54 L CB 1.106 43.180 42.059 0.024 0.000 1.133 54 L HN 0.133 8.371 8.230 0.013 0.000 0.453 55 S N 5.356 121.061 115.700 0.009 0.000 2.568 55 S HA 0.022 4.492 4.470 -0.000 0.000 0.282 55 S C -0.286 174.321 174.600 0.012 0.000 1.338 55 S CA -2.097 56.105 58.200 0.003 0.000 1.045 55 S CB 0.747 63.941 63.200 -0.011 0.000 0.873 55 S HN -0.457 7.858 8.310 0.008 0.000 0.516 56 P HA -0.229 4.198 4.420 0.012 0.000 0.217 56 P C 0.830 178.146 177.300 0.026 0.000 1.148 56 P CA 2.733 65.839 63.100 0.009 0.000 0.834 56 P CB 0.113 31.811 31.700 -0.003 0.000 0.783 57 E N -3.488 116.727 120.200 0.024 0.000 2.158 57 E HA -0.175 4.218 4.350 0.071 0.000 0.191 57 E C 2.271 178.955 176.600 0.140 0.000 0.982 57 E CA 2.931 59.367 56.400 0.059 0.000 0.823 57 E CB -0.206 29.490 29.700 -0.006 0.000 0.766 57 E HN -0.238 8.101 8.360 0.003 0.023 0.468 58 M N -0.754 118.896 119.600 0.083 0.000 2.216 58 M HA -0.193 4.373 4.480 0.143 0.000 0.264 58 M C 1.945 178.328 176.300 0.138 0.000 1.080 58 M CA 3.510 58.873 55.300 0.104 0.000 1.153 58 M CB 0.225 32.844 32.600 0.031 0.000 1.356 58 M HN -0.117 8.076 8.290 0.041 0.122 0.432 59 K N -2.330 118.119 120.400 0.082 0.000 2.103 59 K HA -0.302 4.056 4.320 0.064 0.000 0.207 59 K C 2.419 179.064 176.600 0.074 0.000 1.048 59 K CA 3.536 59.862 56.287 0.064 0.000 0.930 59 K CB -0.893 31.628 32.500 0.035 0.000 0.716 59 K HN 0.718 8.887 8.250 0.058 0.116 0.444 60 T N 2.578 117.182 114.554 0.084 0.000 2.894 60 T HA -0.185 4.178 4.350 0.022 0.000 0.258 60 T C 1.236 175.997 174.700 0.103 0.000 1.043 60 T CA 4.028 66.162 62.100 0.058 0.000 1.141 60 T CB 0.158 69.044 68.868 0.030 0.000 0.873 60 T HN -0.122 7.969 8.240 0.086 0.201 0.449 61 F N 3.813 123.804 119.950 0.069 0.000 2.192 61 F HA -0.393 4.301 4.527 0.278 0.000 0.301 61 F C 1.585 177.501 175.800 0.193 0.000 1.079 61 F CA 4.128 62.252 58.000 0.207 0.000 1.303 61 F CB 0.065 39.188 39.000 0.205 0.000 1.024 61 F HN 0.677 8.942 8.300 0.314 0.223 0.494 62 V N -1.008 119.067 119.914 0.268 0.000 2.535 62 V HA -0.494 3.737 4.120 0.186 0.000 0.246 62 V C 1.164 177.287 176.094 0.049 0.000 1.045 62 V CA 4.674 67.065 62.300 0.152 0.000 1.058 62 V CB -0.375 31.514 31.823 0.109 0.000 0.689 62 V HN 0.553 8.672 8.190 0.254 0.224 0.461 63 D N -0.447 119.965 120.400 0.019 0.000 2.149 63 D HA -0.169 4.458 4.640 -0.021 0.000 0.201 63 D C 2.127 178.373 176.300 -0.092 0.000 0.972 63 D CA 2.735 56.718 54.000 -0.028 0.000 0.835 63 D CB 0.254 41.039 40.800 -0.024 0.000 0.966 63 D HN -0.476 7.693 8.370 0.045 0.229 0.476 64 Q N -1.730 117.975 119.800 -0.158 0.000 2.008 64 Q HA -0.161 4.010 4.340 -0.281 0.000 0.196 64 Q C 2.560 178.283 176.000 -0.461 0.000 0.973 64 Q CA 3.283 58.875 55.803 -0.352 0.000 0.826 64 Q CB 0.972 29.402 28.738 -0.514 0.000 0.894 64 Q HN 0.756 8.799 8.270 -0.108 0.163 0.439 65 Y N -2.840 117.291 120.300 -0.282 0.000 2.523 65 Y HA 0.015 4.415 4.550 -0.250 0.000 0.279 65 Y C 2.091 177.910 175.900 -0.135 0.000 1.139 65 Y CA 1.134 59.064 58.100 -0.282 0.000 1.296 65 Y CB 0.341 38.474 38.460 -0.545 0.000 1.045 65 Y HN 0.355 8.337 8.280 -0.269 0.136 0.538 66 G N -1.770 107.045 108.800 0.025 0.000 2.586 66 G HA2 -0.214 3.764 3.960 0.030 0.000 0.215 66 G HA3 -0.214 3.882 3.960 0.009 -0.131 0.215 66 G C 0.044 174.941 174.900 -0.005 0.000 1.128 66 G CA 1.229 46.339 45.100 0.016 0.000 0.774 66 G HN -0.080 8.057 8.290 -0.006 0.149 0.543 67 Q N -3.100 116.688 119.800 -0.021 0.000 2.127 67 Q HA 0.219 4.549 4.340 -0.017 0.000 0.222 67 Q C 0.167 176.157 176.000 -0.016 0.000 0.794 67 Q CA -0.733 55.055 55.803 -0.025 0.000 1.010 67 Q CB 1.017 29.729 28.738 -0.043 0.000 1.170 67 Q HN -0.430 7.699 8.270 -0.035 0.119 0.479 68 R N 2.089 122.597 120.500 0.014 0.000 3.385 68 R HA -0.134 4.214 4.340 0.014 0.000 0.236 68 R C 0.069 176.397 176.300 0.046 0.000 1.663 68 R CA -0.089 56.043 56.100 0.054 0.000 1.444 68 R CB -1.627 28.804 30.300 0.217 0.000 1.218 68 R HN 0.205 8.328 8.270 0.032 0.166 0.575 69 D N 0.843 121.253 120.400 0.016 0.000 2.149 69 D HA -0.225 4.497 4.640 0.006 -0.078 0.198 69 D C 0.896 177.201 176.300 0.009 0.000 0.990 69 D CA 3.301 57.306 54.000 0.007 0.000 0.839 69 D CB 0.215 41.014 40.800 -0.003 0.000 0.948 69 D HN -0.156 8.090 8.370 0.006 0.127 0.460 70 D N -1.157 119.248 120.400 0.008 0.000 2.325 70 D HA 0.086 4.729 4.640 0.004 0.000 0.234 70 D C -0.175 176.136 176.300 0.017 0.000 1.122 70 D CA 0.426 54.430 54.000 0.006 0.000 0.850 70 D CB -0.212 40.588 40.800 -0.000 0.000 0.921 70 D HN -0.075 8.284 8.370 0.005 0.014 0.513 71 G N -2.710 106.112 108.800 0.036 0.000 2.630 71 G HA2 0.256 4.247 3.960 0.052 0.000 0.296 71 G HA3 0.256 4.260 3.960 0.097 0.014 0.296 71 G C -2.747 172.198 174.900 0.074 0.000 1.285 71 G CA -1.651 43.488 45.100 0.066 0.000 0.958 71 G HN -0.305 7.763 8.290 0.035 0.243 0.479 72 K N -1.342 119.116 120.400 0.097 0.000 2.512 72 K HA 0.433 5.063 4.320 0.077 -0.264 0.263 72 K C -1.645 175.064 176.600 0.183 0.000 0.966 72 K CA -1.383 54.966 56.287 0.102 0.000 0.851 72 K CB 3.772 36.303 32.500 0.052 0.000 1.395 72 K HN -0.134 8.184 8.250 0.113 0.000 0.440 73 I N -2.321 118.403 120.570 0.256 0.000 2.730 73 I HA 0.514 5.151 4.170 0.357 -0.253 0.298 73 I C -1.780 174.739 176.117 0.671 0.000 1.089 73 I CA -2.177 59.345 61.300 0.369 0.000 1.041 73 I CB 3.929 42.038 38.000 0.182 0.000 1.235 73 I HN 0.196 8.535 8.210 0.216 0.000 0.423 74 G N 1.459 110.611 108.800 0.586 0.000 2.532 74 G HA2 0.524 4.142 3.960 -0.571 0.000 0.291 74 G HA3 0.524 4.674 3.960 0.110 -0.124 0.291 74 G C 0.674 175.671 174.900 0.161 0.000 1.349 74 G CA -1.735 43.447 45.100 0.137 0.000 1.038 74 G HN 0.677 9.747 8.290 0.492 -0.484 0.518 75 I N 0.168 120.646 120.570 -0.153 0.000 2.226 75 I HA -0.320 3.228 4.170 -1.036 0.000 0.245 75 I C 1.748 177.860 176.117 -0.009 0.000 1.100 75 I CA 1.862 62.998 61.300 -0.273 0.000 1.374 75 I CB -0.779 37.159 38.000 -0.104 0.000 1.057 75 I HN 0.274 8.238 8.210 -0.247 0.098 0.413 76 V N 0.353 120.323 119.914 0.093 0.000 2.343 76 V HA -0.619 3.023 4.120 -0.797 0.000 0.247 76 V C 1.282 176.917 176.094 -0.765 0.000 1.051 76 V CA 4.582 66.705 62.300 -0.294 0.000 1.036 76 V CB -0.223 31.607 31.823 0.011 0.000 0.654 76 V HN -0.758 7.520 8.190 0.146 0.000 0.451 77 E N -0.885 119.155 120.200 -0.267 0.000 2.058 77 E HA -0.373 4.028 4.350 0.086 0.000 0.194 77 E C 2.647 179.131 176.600 -0.193 0.000 0.997 77 E CA 3.477 59.867 56.400 -0.016 0.000 0.801 77 E CB -0.287 29.598 29.700 0.309 0.000 0.746 77 E HN 0.055 8.395 8.360 -0.034 0.000 0.450 78 L N -1.500 119.608 121.223 -0.191 0.000 2.270 78 L HA -0.216 3.777 4.340 -0.577 0.000 0.210 78 L C 1.183 177.570 176.870 -0.805 0.000 1.104 78 L CA 2.265 56.934 54.840 -0.286 0.000 0.804 78 L CB -0.104 42.187 42.059 0.387 0.000 0.937 78 L HN -0.760 7.450 8.230 -0.032 0.000 0.450 79 A N 0.207 122.166 122.820 -1.435 0.000 1.873 79 A HA -0.443 0.889 4.320 -4.980 0.000 0.218 79 A C 1.018 177.666 177.584 -1.561 0.000 1.193 79 A CA 3.273 53.678 52.037 -2.720 0.000 0.629 79 A CB -0.713 16.380 19.000 -3.178 0.000 0.826 79 A HN 0.553 7.910 8.150 -0.994 0.197 0.447 80 H N -5.651 112.810 119.070 -1.016 0.000 2.551 80 H HA 0.067 4.230 4.556 -0.655 0.000 0.266 80 H C 1.066 176.114 175.328 -0.466 0.000 0.964 80 H CA 0.114 55.778 56.048 -0.641 0.000 1.180 80 H CB 0.207 29.696 29.762 -0.456 0.000 1.408 80 H HN -0.575 6.807 8.280 -1.497 0.000 0.563 81 V N 0.943 120.704 119.914 -0.256 0.000 2.343 81 V HA -0.288 3.713 4.120 -0.199 0.000 0.247 81 V C 0.132 176.055 176.094 -0.284 0.000 1.051 81 V CA 2.302 64.366 62.300 -0.393 0.000 1.036 81 V CB 0.498 31.630 31.823 -1.152 0.000 0.654 81 V HN -0.656 7.088 8.190 -0.463 0.169 0.451 82 L N -6.555 114.486 121.223 -0.303 0.000 2.379 82 L HA 0.527 4.794 4.340 -0.121 0.000 0.269 82 L C -1.976 174.776 176.870 -0.197 0.000 1.084 82 L CA -3.413 51.319 54.840 -0.180 0.000 0.802 82 L CB -1.586 40.419 42.059 -0.091 0.000 1.175 82 L HN -0.830 7.148 8.230 -0.417 0.002 0.448 83 P HA 0.201 4.543 4.420 -0.129 0.000 0.225 83 P C -0.469 176.776 177.300 -0.092 0.000 1.768 83 P CA -0.001 63.038 63.100 -0.102 0.000 0.943 83 P CB -1.945 29.725 31.700 -0.051 0.000 1.936 84 T N 1.328 115.782 114.554 -0.168 0.000 2.737 84 T HA -0.221 4.233 4.350 -0.008 -0.109 0.265 84 T C -0.210 174.470 174.700 -0.033 0.000 1.038 84 T CA 4.125 66.165 62.100 -0.100 0.000 1.144 84 T CB 0.490 69.226 68.868 -0.221 0.000 0.866 84 T HN 0.159 8.141 8.240 -0.275 0.092 0.434 85 E N -2.819 117.305 120.200 -0.128 0.000 2.762 85 E HA 0.164 4.538 4.350 0.039 0.000 0.384 85 E C -1.637 174.896 176.600 -0.112 0.000 1.086 85 E CA -0.064 56.327 56.400 -0.015 0.000 0.769 85 E CB 0.530 30.395 29.700 0.274 0.000 1.560 85 E HN -0.076 8.121 8.360 -0.272 0.000 0.384 86 E N 3.536 123.684 120.200 -0.087 0.000 2.233 86 E HA -0.461 3.811 4.350 -0.130 0.000 0.199 86 E C 0.445 177.023 176.600 -0.037 0.000 1.004 86 E CA 3.477 59.827 56.400 -0.083 0.000 0.819 86 E CB 0.115 29.783 29.700 -0.052 0.000 0.738 86 E HN 0.527 8.849 8.360 -0.064 0.000 0.478 87 N N -2.857 115.856 118.700 0.021 0.000 2.258 87 N HA -0.082 4.692 4.740 0.056 0.000 0.183 87 N C 1.974 177.574 175.510 0.150 0.000 1.029 87 N CA 2.467 55.563 53.050 0.076 0.000 0.857 87 N CB 0.044 38.585 38.487 0.090 0.000 1.008 87 N HN -0.741 7.746 8.380 0.031 -0.088 0.433 88 F N 2.777 122.752 119.950 0.041 0.000 2.307 88 F HA -0.234 4.380 4.527 0.146 0.000 0.301 88 F C 0.750 176.609 175.800 0.097 0.000 1.076 88 F CA 1.718 59.769 58.000 0.086 0.000 1.383 88 F CB -0.392 38.638 39.000 0.051 0.000 1.055 88 F HN -0.449 8.311 8.300 0.263 -0.302 0.526 89 L N -1.633 119.439 121.223 -0.252 0.000 2.217 89 L HA -0.423 3.628 4.340 -0.481 0.000 0.211 89 L C 1.536 178.400 176.870 -0.011 0.000 1.107 89 L CA 1.938 56.580 54.840 -0.330 0.000 0.783 89 L CB -0.652 41.149 42.059 -0.430 0.000 0.919 89 L HN 0.611 8.696 8.230 -0.165 0.045 0.442 90 L N -1.690 119.570 121.223 0.060 0.000 2.081 90 L HA -0.341 4.042 4.340 0.071 0.000 0.212 90 L C 1.568 178.537 176.870 0.166 0.000 1.080 90 L CA 3.227 58.128 54.840 0.102 0.000 0.754 90 L CB -0.779 41.341 42.059 0.102 0.000 0.893 90 L HN 0.031 8.140 8.230 0.054 0.154 0.433 91 L N -5.365 116.024 121.223 0.276 0.000 2.307 91 L HA -0.169 4.313 4.340 0.237 0.000 0.211 91 L C 2.883 180.015 176.870 0.437 0.000 1.099 91 L CA 1.617 56.673 54.840 0.360 0.000 0.816 91 L CB -0.594 41.729 42.059 0.440 0.000 0.952 91 L HN -0.909 7.496 8.230 0.313 0.013 0.455 92 F N 2.623 122.661 119.950 0.146 0.000 2.095 92 F HA -0.214 4.314 4.527 0.001 0.000 0.298 92 F C 1.852 177.585 175.800 -0.112 0.000 1.104 92 F CA 3.025 60.925 58.000 -0.167 0.000 1.232 92 F CB 0.600 39.180 39.000 -0.701 0.000 0.987 92 F HN -0.566 7.774 8.300 0.312 0.147 0.475 93 R N -3.603 117.005 120.500 0.181 0.000 2.310 93 R HA -0.013 4.379 4.340 0.086 0.000 0.202 93 R C 0.769 177.102 176.300 0.055 0.000 0.933 93 R CA 0.061 56.221 56.100 0.101 0.000 1.054 93 R CB -1.723 28.645 30.300 0.114 0.000 0.985 93 R HN 0.842 9.103 8.270 0.166 0.108 0.489 94 C N -0.444 118.901 119.300 0.075 0.000 2.401 94 C HA -0.342 4.180 4.460 0.104 0.000 0.286 94 C C 0.973 175.941 174.990 -0.038 0.000 1.332 94 C CA 2.315 61.377 59.018 0.074 0.000 1.795 94 C CB -0.411 27.413 27.740 0.139 0.000 1.922 94 C HN -0.368 7.777 8.230 0.132 0.165 0.520 95 Q N -2.963 116.642 119.800 -0.325 0.000 2.137 95 Q HA -0.233 3.307 4.340 -1.333 0.000 0.198 95 Q C 1.420 177.294 176.000 -0.210 0.000 0.960 95 Q CA 2.395 57.622 55.803 -0.960 0.000 0.847 95 Q CB -0.412 27.379 28.738 -1.580 0.000 0.915 95 Q HN -0.346 7.733 8.270 -0.236 0.050 0.448 96 Q N -2.922 116.845 119.800 -0.055 0.000 2.356 96 Q HA 0.023 4.437 4.340 0.124 0.000 0.205 96 Q C 1.835 177.895 176.000 0.100 0.000 0.901 96 Q CA 1.014 56.863 55.803 0.077 0.000 0.938 96 Q CB -0.259 28.535 28.738 0.094 0.000 1.081 96 Q HN -0.284 7.823 8.270 -0.076 0.118 0.517 97 L N -1.614 119.664 121.223 0.092 0.000 2.013 97 L HA -0.193 4.199 4.340 0.087 0.000 0.212 97 L C 0.437 177.371 176.870 0.107 0.000 1.073 97 L CA 2.869 57.767 54.840 0.098 0.000 0.753 97 L CB -0.446 41.672 42.059 0.099 0.000 0.890 97 L HN 0.285 8.320 8.230 0.069 0.235 0.432 98 K N -3.279 117.202 120.400 0.134 0.000 2.424 98 K HA 0.043 4.425 4.320 0.104 0.000 0.200 98 K C -0.193 176.496 176.600 0.149 0.000 1.279 98 K CA 0.245 56.608 56.287 0.128 0.000 0.918 98 K CB 1.127 33.702 32.500 0.125 0.000 1.287 98 K HN 0.069 8.415 8.250 0.160 0.000 0.502 99 S N -2.124 113.701 115.700 0.208 0.000 2.537 99 S HA 0.252 4.841 4.470 0.198 0.000 0.271 99 S C -0.857 173.980 174.600 0.395 0.000 1.148 99 S CA -0.784 57.559 58.200 0.239 0.000 0.868 99 S CB 3.090 66.405 63.200 0.191 0.000 1.115 99 S HN -0.820 7.635 8.310 0.241 0.000 0.461 100 C N 2.603 122.135 119.300 0.386 0.000 2.486 100 C HA 0.103 5.193 4.460 0.781 -0.161 0.279 100 C C 1.277 176.561 174.990 0.490 0.000 1.302 100 C CA 0.848 60.204 59.018 0.564 0.000 1.720 100 C CB 1.162 29.134 27.740 0.385 0.000 2.030 100 C HN 0.605 9.008 8.230 0.288 0.000 0.490 101 E N 1.788 122.207 120.200 0.366 0.000 2.230 101 E HA -0.224 4.509 4.350 0.638 0.000 0.192 101 E C 1.286 177.949 176.600 0.105 0.000 0.987 101 E CA 2.862 59.469 56.400 0.345 0.000 0.841 101 E CB -0.835 29.009 29.700 0.241 0.000 0.783 101 E HN -0.006 8.549 8.360 0.325 0.000 0.481 102 E N -0.671 119.607 120.200 0.130 0.000 2.033 102 E HA -0.195 4.185 4.350 0.048 0.000 0.189 102 E C 2.189 178.837 176.600 0.080 0.000 0.979 102 E CA 2.671 59.129 56.400 0.096 0.000 0.802 102 E CB -0.027 29.756 29.700 0.138 0.000 0.763 102 E HN -0.258 8.201 8.360 0.211 0.027 0.449 103 F N -0.654 119.401 119.950 0.174 0.000 2.091 103 F HA -0.326 4.316 4.527 0.192 0.000 0.299 103 F C 1.722 177.673 175.800 0.251 0.000 1.103 103 F CA 2.535 60.659 58.000 0.207 0.000 1.228 103 F CB -0.864 38.268 39.000 0.220 0.000 0.984 103 F HN -0.614 7.957 8.300 0.452 0.000 0.477 104 M N 0.231 119.016 119.600 -1.359 0.000 2.195 104 M HA -0.539 3.528 4.480 -0.687 0.000 0.260 104 M C 1.211 177.449 176.300 -0.104 0.000 1.066 104 M CA 3.460 58.248 55.300 -0.854 0.000 1.089 104 M CB -0.447 31.643 32.600 -0.850 0.000 1.377 104 M HN -0.283 6.842 8.290 -1.936 0.003 0.411 105 K N -2.416 117.929 120.400 -0.093 0.000 2.113 105 K HA -0.301 4.115 4.320 -0.034 -0.117 0.208 105 K C 2.392 178.950 176.600 -0.069 0.000 1.047 105 K CA 2.967 59.231 56.287 -0.038 0.000 0.928 105 K CB -0.399 32.088 32.500 -0.022 0.000 0.716 105 K HN -0.045 7.963 8.250 -0.150 0.152 0.446 106 T N 0.733 115.287 114.554 -0.001 0.000 3.014 106 T HA -0.128 4.115 4.350 -0.179 0.000 0.263 106 T C 0.819 175.317 174.700 -0.336 0.000 1.078 106 T CA 4.633 66.691 62.100 -0.070 0.000 1.135 106 T CB 0.186 69.146 68.868 0.154 0.000 0.895 106 T HN 0.093 8.231 8.240 0.069 0.143 0.480 107 W N 1.793 122.958 121.300 -0.225 0.000 2.342 107 W HA -0.130 4.352 4.660 -0.297 0.000 0.297 107 W C 0.088 176.175 176.519 -0.721 0.000 1.213 107 W CA 2.050 59.264 57.345 -0.219 0.000 1.251 107 W CB -0.619 29.044 29.460 0.338 0.000 1.136 107 W HN -0.305 7.900 8.180 0.300 0.155 0.526 108 R N -1.391 118.560 120.500 -0.915 0.000 2.240 108 R HA -0.166 3.356 4.340 -1.363 0.000 0.203 108 R C 0.952 176.683 176.300 -0.949 0.000 1.011 108 R CA 0.906 56.388 56.100 -1.031 0.000 1.007 108 R CB -0.741 29.245 30.300 -0.524 0.000 0.911 108 R HN -0.790 7.373 8.270 -0.160 0.011 0.468 109 K N -0.584 119.183 120.400 -1.055 0.000 2.044 109 K HA -0.304 3.762 4.320 -0.425 0.000 0.210 109 K C 1.629 177.890 176.600 -0.564 0.000 1.049 109 K CA 3.321 59.184 56.287 -0.706 0.000 0.927 109 K CB -0.234 31.904 32.500 -0.602 0.000 0.713 109 K HN -0.639 6.822 8.250 -1.065 0.150 0.443 110 Y N -7.648 112.451 120.300 -0.335 0.000 2.523 110 Y HA -0.022 4.411 4.550 -0.195 0.000 0.279 110 Y C 1.821 177.554 175.900 -0.279 0.000 1.139 110 Y CA -1.141 56.789 58.100 -0.284 0.000 1.296 110 Y CB -0.634 37.628 38.460 -0.329 0.000 1.045 110 Y HN -0.738 5.938 8.280 -2.674 0.000 0.538 111 D N 2.193 122.348 120.400 -0.407 0.000 2.489 111 D HA -0.150 4.325 4.640 -0.275 0.000 0.264 111 D C -1.293 174.871 176.300 -0.226 0.000 1.294 111 D CA -0.339 53.449 54.000 -0.354 0.000 0.938 111 D CB -2.162 38.272 40.800 -0.610 0.000 0.985 111 D HN 0.052 7.772 8.370 -0.765 0.191 0.492 112 T N -0.394 114.061 114.554 -0.166 0.000 3.032 112 T HA -0.425 3.836 4.350 -0.148 0.000 0.453 112 T C -1.292 173.263 174.700 -0.242 0.000 0.774 112 T CA 1.907 63.904 62.100 -0.172 0.000 2.352 112 T CB -1.438 67.333 68.868 -0.162 0.000 1.663 112 T HN 0.219 8.225 8.240 -0.134 0.153 0.599 113 D N -1.463 118.752 120.400 -0.308 0.000 3.039 113 D HA -0.553 3.591 4.640 -0.827 0.000 0.222 113 D C -1.146 174.685 176.300 -0.781 0.000 1.179 113 D CA 1.987 55.607 54.000 -0.633 0.000 0.880 113 D CB -0.030 40.474 40.800 -0.493 0.000 1.115 113 D HN 0.444 8.675 8.370 -0.233 0.000 0.416 114 H N -8.403 110.493 119.070 -0.289 0.000 3.195 114 H HA -0.413 4.117 4.556 -0.363 -0.192 0.330 114 H C -0.551 174.617 175.328 -0.266 0.000 1.015 114 H CA -0.079 55.799 56.048 -0.283 0.000 1.043 114 H CB -2.064 27.583 29.762 -0.191 0.000 1.581 114 H HN -0.129 7.989 8.280 -0.111 0.095 0.365 115 S N 2.589 118.128 115.700 -0.268 0.000 2.527 115 S HA -0.177 4.091 4.470 -0.336 0.000 0.222 115 S C 0.692 174.942 174.600 -0.584 0.000 0.985 115 S CA 2.387 60.331 58.200 -0.428 0.000 0.921 115 S CB 0.460 63.342 63.200 -0.530 0.000 0.772 115 S HN 0.201 8.614 8.310 -0.293 -0.279 0.529 116 G N 0.121 108.727 108.800 -0.322 0.000 2.232 116 G HA2 -0.267 3.862 3.960 0.167 0.000 0.226 116 G HA3 -0.267 3.604 3.960 -0.102 0.028 0.226 116 G C -2.253 172.842 174.900 0.324 0.000 0.996 116 G CA 0.507 45.586 45.100 -0.035 0.000 0.626 116 G HN 0.001 8.336 8.290 -0.216 -0.175 0.509 117 F N -4.124 115.890 119.950 0.106 0.000 2.615 117 F HA 0.703 5.579 4.527 0.439 -0.085 0.312 117 F C -1.492 174.251 175.800 -0.095 0.000 1.119 117 F CA -2.716 55.363 58.000 0.132 0.000 0.979 117 F CB 2.390 41.442 39.000 0.087 0.000 1.266 117 F HN -1.006 6.784 8.300 -0.719 0.079 0.444 118 I N -1.172 119.365 120.570 -0.055 0.000 3.327 118 I HA -0.005 4.222 4.170 -0.185 -0.168 0.280 118 I C 0.628 176.779 176.117 0.056 0.000 1.207 118 I CA -1.007 60.251 61.300 -0.070 0.000 1.280 118 I CB -0.147 37.894 38.000 0.069 0.000 1.417 118 I HN 0.695 8.821 8.210 -0.001 0.084 0.639 119 E N 0.242 120.461 120.200 0.031 0.000 2.803 119 E HA 0.184 4.573 4.350 0.065 0.000 0.250 119 E C 1.415 178.036 176.600 0.034 0.000 1.102 119 E CA -0.750 55.672 56.400 0.036 0.000 1.017 119 E CB 2.347 32.048 29.700 0.001 0.000 1.346 119 E HN 0.326 8.696 8.360 0.018 0.000 0.532 120 T N 1.030 115.594 114.554 0.017 0.000 2.852 120 T HA -0.102 4.385 4.350 0.004 -0.135 0.256 120 T C 1.701 176.398 174.700 -0.007 0.000 1.038 120 T CA 3.047 65.148 62.100 0.003 0.000 1.141 120 T CB 0.477 69.344 68.868 -0.003 0.000 0.869 120 T HN 0.414 8.663 8.240 0.014 0.000 0.439 121 E N -0.433 119.762 120.200 -0.008 0.000 2.216 121 E HA -0.221 4.117 4.350 -0.019 0.000 0.192 121 E C 1.386 177.979 176.600 -0.012 0.000 0.988 121 E CA 2.789 59.180 56.400 -0.015 0.000 0.834 121 E CB -0.219 29.471 29.700 -0.017 0.000 0.772 121 E HN -0.042 8.315 8.360 -0.006 0.000 0.479 122 E N -0.856 119.344 120.200 -0.001 0.000 2.033 122 E HA -0.177 4.173 4.350 -0.000 0.000 0.189 122 E C 1.993 178.621 176.600 0.047 0.000 0.979 122 E CA 2.214 58.622 56.400 0.013 0.000 0.802 122 E CB -0.400 29.307 29.700 0.011 0.000 0.763 122 E HN -0.293 8.036 8.360 0.001 0.032 0.449 123 L N 0.425 121.691 121.223 0.072 0.000 2.017 123 L HA -0.293 4.217 4.340 0.283 0.000 0.208 123 L C 1.709 178.570 176.870 -0.015 0.000 1.073 123 L CA 3.020 57.917 54.840 0.095 0.000 0.745 123 L CB -0.898 41.185 42.059 0.040 0.000 0.894 123 L HN -0.061 8.067 8.230 0.052 0.133 0.432 124 K N -2.154 118.225 120.400 -0.036 0.000 2.160 124 K HA -0.271 3.994 4.320 -0.092 0.000 0.206 124 K C 3.138 179.700 176.600 -0.063 0.000 1.047 124 K CA 2.897 59.147 56.287 -0.063 0.000 0.930 124 K CB -0.556 31.916 32.500 -0.047 0.000 0.720 124 K HN -0.083 8.156 8.250 -0.018 0.000 0.450 125 N N 0.038 118.711 118.700 -0.046 0.000 2.250 125 N HA -0.155 4.547 4.740 -0.062 0.000 0.181 125 N C 1.642 177.084 175.510 -0.114 0.000 1.017 125 N CA 2.455 55.466 53.050 -0.065 0.000 0.866 125 N CB -0.203 38.253 38.487 -0.052 0.000 0.985 125 N HN -0.726 7.481 8.380 -0.026 0.157 0.429 126 F N 3.090 122.812 119.950 -0.381 0.000 2.065 126 F HA -0.270 3.511 4.527 -1.244 0.000 0.298 126 F C 1.593 177.083 175.800 -0.516 0.000 1.112 126 F CA 1.867 59.432 58.000 -0.724 0.000 1.212 126 F CB -0.340 38.333 39.000 -0.545 0.000 0.975 126 F HN 0.352 8.422 8.300 0.013 0.237 0.476 127 L N -5.119 116.025 121.223 -0.133 0.000 2.089 127 L HA -0.466 3.641 4.340 -0.388 0.000 0.213 127 L C 1.587 178.391 176.870 -0.109 0.000 1.079 127 L CA 4.060 58.749 54.840 -0.252 0.000 0.758 127 L CB -1.430 40.448 42.059 -0.302 0.000 0.891 127 L HN 0.177 8.310 8.230 -0.161 0.000 0.433 128 K N -1.676 118.671 120.400 -0.088 0.000 2.009 128 K HA -0.456 3.843 4.320 -0.034 0.000 0.210 128 K C 2.117 178.692 176.600 -0.042 0.000 1.049 128 K CA 3.651 59.905 56.287 -0.054 0.000 0.929 128 K CB -1.019 31.448 32.500 -0.056 0.000 0.714 128 K HN -0.629 7.438 8.250 -0.099 0.123 0.440 129 D N 0.124 120.470 120.400 -0.090 0.000 2.158 129 D HA -0.274 4.350 4.640 -0.027 0.000 0.197 129 D C 2.360 178.679 176.300 0.032 0.000 0.995 129 D CA 3.117 57.080 54.000 -0.062 0.000 0.846 129 D CB -0.422 40.245 40.800 -0.222 0.000 0.941 129 D HN -0.570 7.628 8.370 -0.156 0.078 0.456 130 L N -2.299 118.954 121.223 0.051 0.000 2.079 130 L HA -0.220 4.208 4.340 0.147 0.000 0.210 130 L C 2.210 179.129 176.870 0.083 0.000 1.081 130 L CA 2.911 57.806 54.840 0.092 0.000 0.752 130 L CB -1.245 40.830 42.059 0.026 0.000 0.896 130 L HN -0.081 8.026 8.230 0.018 0.134 0.433 131 L N -1.444 119.809 121.223 0.051 0.000 2.083 131 L HA -0.389 3.995 4.340 0.074 0.000 0.209 131 L C 2.652 179.554 176.870 0.054 0.000 1.083 131 L CA 3.298 58.170 54.840 0.055 0.000 0.752 131 L CB -0.807 41.271 42.059 0.033 0.000 0.899 131 L HN 0.003 8.110 8.230 0.023 0.137 0.433 132 E N -2.741 117.487 120.200 0.046 0.000 2.204 132 E HA -0.365 4.010 4.350 0.041 0.000 0.194 132 E C 1.868 178.507 176.600 0.065 0.000 0.989 132 E CA 2.799 59.228 56.400 0.048 0.000 0.824 132 E CB -0.178 29.546 29.700 0.040 0.000 0.756 132 E HN -0.104 8.149 8.360 0.036 0.129 0.477 133 K N -1.497 118.954 120.400 0.084 0.000 2.098 133 K HA -0.097 4.278 4.320 0.092 0.000 0.203 133 K C 1.628 178.283 176.600 0.091 0.000 1.051 133 K CA 2.044 58.390 56.287 0.099 0.000 0.957 133 K CB -0.306 32.274 32.500 0.134 0.000 0.738 133 K HN -0.401 7.750 8.250 0.087 0.151 0.447 134 A N -2.295 120.581 122.820 0.093 0.000 2.178 134 A HA -0.150 4.223 4.320 0.088 0.000 0.218 134 A C 0.386 178.011 177.584 0.068 0.000 1.157 134 A CA 0.416 52.505 52.037 0.087 0.000 0.689 134 A CB 0.150 19.210 19.000 0.099 0.000 0.787 134 A HN 0.257 8.360 8.150 0.098 0.106 0.465 135 N N -6.623 112.113 118.700 0.061 0.000 2.713 135 N HA -0.440 4.328 4.740 0.046 0.000 0.251 135 N C -0.163 175.373 175.510 0.045 0.000 1.117 135 N CA 1.479 54.559 53.050 0.049 0.000 0.770 135 N CB -0.525 37.989 38.487 0.046 0.000 1.137 135 N HN -0.043 8.209 8.380 0.065 0.167 0.566 136 K N -3.383 117.047 120.400 0.051 0.000 2.511 136 K HA 0.155 4.498 4.320 0.039 0.000 0.206 136 K C -0.527 176.101 176.600 0.047 0.000 1.333 136 K CA 0.050 56.365 56.287 0.047 0.000 0.957 136 K CB 1.285 33.816 32.500 0.052 0.000 1.172 136 K HN -0.610 7.613 8.250 0.059 0.063 0.547 137 T N -0.309 114.277 114.554 0.052 0.000 3.645 137 T HA -0.387 3.992 4.350 0.047 0.000 0.400 137 T C -0.926 173.807 174.700 0.055 0.000 0.764 137 T CA 0.289 62.417 62.100 0.047 0.000 2.104 137 T CB -1.288 67.600 68.868 0.032 0.000 1.737 137 T HN -0.549 7.727 8.240 0.059 0.000 0.763 138 V N -3.454 116.508 119.914 0.080 0.000 2.644 138 V HA -0.224 3.952 4.120 0.094 0.000 0.303 138 V C -0.258 175.878 176.094 0.070 0.000 1.058 138 V CA 0.343 62.703 62.300 0.100 0.000 1.228 138 V CB 0.622 32.547 31.823 0.170 0.000 0.861 138 V HN -0.301 7.943 8.190 0.090 0.000 0.484 139 D N 6.961 127.396 120.400 0.058 0.000 2.341 139 D HA -0.188 4.468 4.640 0.027 0.000 0.235 139 D C 1.031 177.345 176.300 0.024 0.000 1.265 139 D CA 0.535 54.557 54.000 0.035 0.000 0.888 139 D CB 1.208 42.028 40.800 0.032 0.000 1.192 139 D HN 0.129 8.537 8.370 0.064 0.000 0.462 140 D N 1.067 121.470 120.400 0.005 0.000 2.172 140 D HA -0.313 4.315 4.640 -0.020 0.000 0.196 140 D C 2.031 178.315 176.300 -0.028 0.000 0.999 140 D CA 4.772 58.763 54.000 -0.014 0.000 0.856 140 D CB -0.314 40.477 40.800 -0.016 0.000 0.934 140 D HN 0.378 8.751 8.370 0.006 0.000 0.453 141 T N -0.143 114.404 114.554 -0.012 0.000 2.833 141 T HA -0.256 4.071 4.350 -0.038 0.000 0.269 141 T C 1.682 176.359 174.700 -0.038 0.000 1.054 141 T CA 3.542 65.630 62.100 -0.019 0.000 1.135 141 T CB -0.155 68.719 68.868 0.011 0.000 0.869 141 T HN -0.056 8.170 8.240 0.002 0.015 0.466 142 K N 0.160 120.568 120.400 0.014 0.000 2.044 142 K HA -0.120 4.432 4.320 0.168 -0.132 0.204 142 K C 2.115 178.666 176.600 -0.083 0.000 1.045 142 K CA 2.623 58.963 56.287 0.087 0.000 0.951 142 K CB 0.143 32.773 32.500 0.216 0.000 0.738 142 K HN -0.194 7.927 8.250 0.033 0.149 0.443 143 L N -4.658 116.564 121.223 -0.001 0.000 2.270 143 L HA 0.076 4.491 4.340 0.124 0.000 0.210 143 L C 1.626 178.432 176.870 -0.107 0.000 1.104 143 L CA 2.269 57.106 54.840 -0.005 0.000 0.804 143 L CB -1.166 40.889 42.059 -0.007 0.000 0.937 143 L HN -0.407 7.837 8.230 0.022 0.000 0.450 144 A N 0.344 123.084 122.820 -0.134 0.000 1.854 144 A HA -0.311 3.944 4.320 -0.108 0.000 0.214 144 A C 1.495 178.965 177.584 -0.189 0.000 1.192 144 A CA 3.820 55.779 52.037 -0.131 0.000 0.611 144 A CB -0.723 18.220 19.000 -0.096 0.000 0.832 144 A HN 0.352 8.432 8.150 -0.117 0.000 0.442 145 E N -2.067 117.961 120.200 -0.286 0.000 2.171 145 E HA -0.358 3.866 4.350 -0.209 0.000 0.197 145 E C 2.314 178.637 176.600 -0.462 0.000 0.997 145 E CA 2.710 58.894 56.400 -0.361 0.000 0.810 145 E CB -0.861 28.579 29.700 -0.434 0.000 0.738 145 E HN 0.163 8.360 8.360 -0.271 0.000 0.467 146 Y N 0.190 120.009 120.300 -0.802 0.000 2.176 146 Y HA -0.161 4.095 4.550 -0.489 0.000 0.291 146 Y C 1.790 177.506 175.900 -0.307 0.000 1.122 146 Y CA 1.323 59.070 58.100 -0.588 0.000 1.128 146 Y CB -0.115 38.055 38.460 -0.483 0.000 1.005 146 Y HN -0.744 7.074 8.280 -0.554 0.129 0.509 147 T N 1.607 116.116 114.554 -0.076 0.000 2.665 147 T HA -0.504 3.729 4.350 -0.196 0.000 0.268 147 T C 1.904 176.553 174.700 -0.085 0.000 1.035 147 T CA 4.960 66.983 62.100 -0.127 0.000 1.151 147 T CB -0.346 68.451 68.868 -0.119 0.000 0.862 147 T HN 0.410 8.391 8.240 -0.099 0.200 0.438 148 D N 0.683 121.034 120.400 -0.082 0.000 2.123 148 D HA -0.146 4.461 4.640 -0.056 0.000 0.200 148 D C 2.037 178.297 176.300 -0.067 0.000 0.976 148 D CA 4.129 58.089 54.000 -0.067 0.000 0.831 148 D CB 0.052 40.811 40.800 -0.069 0.000 0.974 148 D HN 0.031 8.339 8.370 -0.101 0.002 0.469 149 L N -0.876 120.300 121.223 -0.078 0.000 2.191 149 L HA -0.287 3.962 4.340 -0.152 0.000 0.212 149 L C 1.810 178.616 176.870 -0.107 0.000 1.103 149 L CA 2.999 57.768 54.840 -0.119 0.000 0.769 149 L CB -0.112 41.881 42.059 -0.109 0.000 0.908 149 L HN -0.573 7.540 8.230 -0.084 0.066 0.438 150 M N -0.307 119.269 119.600 -0.040 0.000 2.067 150 M HA -0.299 4.533 4.480 -0.005 -0.355 0.260 150 M C 1.949 178.269 176.300 0.034 0.000 1.069 150 M CA 3.200 58.494 55.300 -0.010 0.000 1.117 150 M CB -0.168 32.396 32.600 -0.060 0.000 1.334 150 M HN -0.099 8.054 8.290 -0.024 0.123 0.407 151 L N -3.610 117.614 121.223 0.003 0.000 2.341 151 L HA -0.054 4.415 4.340 0.019 -0.117 0.214 151 L C 2.001 178.870 176.870 -0.000 0.000 1.115 151 L CA 0.605 55.448 54.840 0.005 0.000 0.820 151 L CB -1.694 40.359 42.059 -0.011 0.000 0.944 151 L HN -0.710 7.507 8.230 -0.022 0.000 0.452 152 K N -1.032 119.356 120.400 -0.021 0.000 2.044 152 K HA -0.085 4.236 4.320 0.001 0.000 0.204 152 K C 3.434 180.021 176.600 -0.021 0.000 1.045 152 K CA 0.874 57.150 56.287 -0.018 0.000 0.951 152 K CB -0.475 32.007 32.500 -0.030 0.000 0.738 152 K HN 0.230 8.456 8.250 -0.039 0.000 0.443 153 L N -1.437 119.697 121.223 -0.148 0.000 2.353 153 L HA -0.266 3.907 4.340 -0.279 0.000 0.220 153 L C 0.882 177.752 176.870 0.000 0.000 1.133 153 L CA 2.607 57.271 54.840 -0.293 0.000 0.798 153 L CB 0.124 41.747 42.059 -0.727 0.000 0.922 153 L HN -0.419 7.595 8.230 -0.185 0.105 0.445 154 F N -4.129 115.758 119.950 -0.105 0.000 2.746 154 F HA 0.158 4.671 4.527 -0.023 0.000 0.320 154 F C -0.940 174.848 175.800 -0.020 0.000 1.097 154 F CA -3.261 54.715 58.000 -0.040 0.000 1.195 154 F CB 1.344 40.331 39.000 -0.021 0.000 1.056 154 F HN -0.728 7.566 8.300 0.117 0.077 0.562 155 D N 1.177 121.637 120.400 0.099 0.000 2.854 155 D HA -0.209 4.409 4.640 -0.088 -0.031 0.243 155 D C 0.478 176.744 176.300 -0.057 0.000 1.243 155 D CA 0.919 54.906 54.000 -0.022 0.000 0.883 155 D CB -1.043 39.760 40.800 0.006 0.000 1.145 155 D HN -0.576 7.699 8.370 0.098 0.154 0.555 156 S N 3.853 119.418 115.700 -0.225 0.000 2.345 156 S HA -0.309 4.073 4.470 -0.147 0.000 0.220 156 S C 0.248 174.775 174.600 -0.121 0.000 1.031 156 S CA 2.980 61.042 58.200 -0.231 0.000 0.996 156 S CB 0.487 63.428 63.200 -0.430 0.000 0.882 156 S HN 0.459 8.587 8.310 -0.303 0.000 0.445 157 N N -0.762 117.864 118.700 -0.125 0.000 2.142 157 N HA -0.005 4.707 4.740 -0.048 0.000 0.233 157 N C -1.760 173.717 175.510 -0.054 0.000 1.335 157 N CA 0.034 53.039 53.050 -0.074 0.000 0.837 157 N CB 0.843 39.280 38.487 -0.082 0.000 1.238 157 N HN -0.368 7.913 8.380 -0.164 0.000 0.501 158 N N -2.103 116.562 118.700 -0.057 0.000 2.621 158 N HA -0.264 4.454 4.740 -0.036 0.000 0.269 158 N C -1.353 174.137 175.510 -0.034 0.000 1.154 158 N CA 1.533 54.561 53.050 -0.036 0.000 0.696 158 N CB -0.866 37.611 38.487 -0.018 0.000 0.878 158 N HN 0.180 8.514 8.380 -0.077 0.000 0.550 159 D N -1.147 119.228 120.400 -0.041 0.000 2.479 159 D HA 0.089 4.719 4.640 -0.017 0.000 0.221 159 D C -0.059 176.235 176.300 -0.010 0.000 1.104 159 D CA -0.651 53.336 54.000 -0.022 0.000 0.849 159 D CB 0.840 41.629 40.800 -0.019 0.000 1.072 159 D HN 0.080 8.417 8.370 -0.056 0.000 0.502 160 G N -1.491 107.299 108.800 -0.016 0.000 2.211 160 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.201 160 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.201 160 G C -1.709 173.194 174.900 0.006 0.000 0.997 160 G CA 0.130 45.226 45.100 -0.007 0.000 0.652 160 G HN 0.309 8.582 8.290 -0.029 0.000 0.500 161 K N -1.410 118.998 120.400 0.014 0.000 2.148 161 K HA 0.402 4.848 4.320 0.073 -0.082 0.239 161 K C -1.996 174.633 176.600 0.049 0.000 1.018 161 K CA -1.729 54.596 56.287 0.063 0.000 0.923 161 K CB 1.465 34.059 32.500 0.156 0.000 1.117 161 K HN -0.755 7.439 8.250 -0.002 0.055 0.477 162 L N -0.368 120.945 121.223 0.150 0.000 2.356 162 L HA 0.400 4.818 4.340 0.131 0.000 0.277 162 L C -1.508 175.659 176.870 0.494 0.000 0.996 162 L CA -1.095 53.895 54.840 0.249 0.000 0.822 162 L CB 2.636 44.884 42.059 0.315 0.000 1.256 162 L HN 0.231 8.449 8.230 0.190 0.126 0.413 163 E N 4.302 124.666 120.200 0.273 0.000 2.518 163 E HA 0.150 5.012 4.350 0.854 0.000 0.248 163 E C 0.109 177.014 176.600 0.509 0.000 1.028 163 E CA -1.512 55.122 56.400 0.391 0.000 0.922 163 E CB 2.448 31.857 29.700 -0.484 0.000 1.299 163 E HN 0.208 8.552 8.360 -0.026 0.000 0.457 164 L N -1.040 120.357 121.223 0.289 0.000 2.068 164 L HA -0.101 3.815 4.340 -0.708 0.000 0.204 164 L C 1.813 178.657 176.870 -0.044 0.000 1.076 164 L CA 3.607 58.322 54.840 -0.208 0.000 0.753 164 L CB 0.342 42.202 42.059 -0.332 0.000 0.910 164 L HN 0.709 9.176 8.230 0.396 0.000 0.439 165 T N -5.563 108.859 114.554 -0.220 0.000 2.969 165 T HA -0.450 3.696 4.350 -0.340 0.000 0.271 165 T C 1.201 175.479 174.700 -0.702 0.000 1.127 165 T CA 3.881 65.524 62.100 -0.763 0.000 1.102 165 T CB -0.574 67.585 68.868 -1.181 0.000 0.855 165 T HN 0.310 8.658 8.240 0.180 0.000 0.536 166 E N 0.688 120.692 120.200 -0.328 0.000 2.042 166 E HA -0.111 4.116 4.350 -0.205 0.000 0.189 166 E C 1.381 177.960 176.600 -0.035 0.000 0.974 166 E CA 2.481 58.850 56.400 -0.052 0.000 0.806 166 E CB -0.070 29.783 29.700 0.256 0.000 0.769 166 E HN -0.565 7.822 8.360 0.168 0.075 0.451 167 M N -1.050 118.588 119.600 0.063 0.000 2.279 167 M HA -0.273 4.228 4.480 0.035 0.000 0.264 167 M C 2.184 178.538 176.300 0.089 0.000 1.062 167 M CA 3.602 58.960 55.300 0.097 0.000 1.099 167 M CB 0.191 32.948 32.600 0.263 0.000 1.394 167 M HN -0.478 7.839 8.290 0.141 0.057 0.426 168 A N -2.958 119.879 122.820 0.029 0.000 2.067 168 A HA -0.214 4.193 4.320 0.144 0.000 0.217 168 A C 0.487 178.140 177.584 0.115 0.000 1.156 168 A CA 2.147 54.219 52.037 0.057 0.000 0.683 168 A CB -0.424 18.551 19.000 -0.041 0.000 0.808 168 A HN 0.831 8.787 8.150 -0.045 0.167 0.455 169 R N -4.819 115.677 120.500 -0.007 0.000 2.161 169 R HA -0.044 4.314 4.340 0.028 0.000 0.213 169 R C 1.692 177.944 176.300 -0.080 0.000 1.055 169 R CA 1.599 57.630 56.100 -0.114 0.000 0.996 169 R CB 0.137 30.254 30.300 -0.305 0.000 0.901 169 R HN -0.508 7.464 8.270 -0.087 0.246 0.456 170 L N -2.263 118.925 121.223 -0.057 0.000 2.585 170 L HA 0.188 4.699 4.340 0.122 -0.097 0.226 170 L C -1.220 175.638 176.870 -0.021 0.000 1.113 170 L CA 0.295 55.120 54.840 -0.023 0.000 0.876 170 L CB -0.038 41.850 42.059 -0.285 0.000 1.072 170 L HN -0.187 7.876 8.230 -0.072 0.124 0.468 171 L N -3.435 117.774 121.223 -0.023 0.000 2.569 171 L HA 0.553 4.745 4.340 -0.247 0.000 0.247 171 L C -1.969 174.958 176.870 0.095 0.000 1.135 171 L CA -3.989 50.807 54.840 -0.073 0.000 0.812 171 L CB -1.831 40.245 42.059 0.029 0.000 1.431 171 L HN -0.650 7.494 8.230 0.029 0.103 0.499 172 P HA 0.234 4.756 4.420 0.170 0.000 0.274 172 P C -0.429 176.983 177.300 0.187 0.000 1.470 172 P CA -0.750 62.453 63.100 0.172 0.000 1.001 172 P CB -1.178 30.625 31.700 0.173 0.000 1.332 173 V N 2.380 122.411 119.914 0.194 0.000 2.688 173 V HA -0.488 3.950 4.120 0.126 -0.243 0.256 173 V C 0.993 177.159 176.094 0.120 0.000 1.084 173 V CA 2.553 64.941 62.300 0.147 0.000 1.103 173 V CB 0.064 31.964 31.823 0.128 0.000 0.688 173 V HN -0.354 7.973 8.190 0.228 0.000 0.480 174 Q N -2.006 117.876 119.800 0.136 0.000 2.077 174 Q HA -0.207 4.191 4.340 0.097 0.000 0.206 174 Q C 1.188 177.254 176.000 0.110 0.000 0.989 174 Q CA 2.600 58.471 55.803 0.113 0.000 0.853 174 Q CB -0.485 28.321 28.738 0.113 0.000 0.907 174 Q HN -0.063 8.242 8.270 0.156 0.058 0.418 175 E N -4.681 115.602 120.200 0.139 0.000 2.601 175 E HA 0.109 4.532 4.350 0.122 0.000 0.219 175 E C -0.867 175.866 176.600 0.221 0.000 0.964 175 E CA -0.470 56.020 56.400 0.149 0.000 1.050 175 E CB 1.861 31.642 29.700 0.134 0.000 1.068 175 E HN -0.753 7.701 8.360 0.157 0.000 0.496 176 N N 0.993 119.823 118.700 0.217 0.000 2.454 176 N HA -0.170 4.771 4.740 0.334 0.000 0.260 176 N C 0.871 176.520 175.510 0.231 0.000 1.218 176 N CA 0.540 53.718 53.050 0.214 0.000 0.904 176 N CB 0.146 38.696 38.487 0.106 0.000 1.065 176 N HN -0.403 8.087 8.380 0.183 0.000 0.462 177 F N -1.522 118.601 119.950 0.288 0.000 2.558 177 F HA 0.021 4.832 4.527 0.473 0.000 0.298 177 F C 0.827 176.842 175.800 0.358 0.000 1.119 177 F CA 0.172 58.438 58.000 0.443 0.000 1.451 177 F CB -0.565 38.863 39.000 0.713 0.000 1.091 177 F HN 0.089 8.786 8.300 0.662 0.000 0.563 178 L N -0.732 120.257 121.223 -0.390 0.000 1.994 178 L HA -0.331 3.974 4.340 -0.059 0.000 0.208 178 L C 2.131 178.993 176.870 -0.014 0.000 1.071 178 L CA 2.601 57.316 54.840 -0.208 0.000 0.745 178 L CB -0.866 40.996 42.059 -0.328 0.000 0.892 178 L HN -0.478 7.259 8.230 -0.741 0.049 0.431 179 L N -5.843 115.361 121.223 -0.032 0.000 2.189 179 L HA -0.206 4.342 4.340 -0.075 -0.253 0.214 179 L C 2.063 178.908 176.870 -0.043 0.000 1.097 179 L CA 2.656 57.459 54.840 -0.062 0.000 0.764 179 L CB -1.485 40.502 42.059 -0.119 0.000 0.900 179 L HN -0.127 8.219 8.230 -0.035 -0.137 0.436 180 K N -2.155 118.237 120.400 -0.012 0.000 2.242 180 K HA -0.133 4.154 4.320 -0.055 0.000 0.200 180 K C 2.075 178.637 176.600 -0.062 0.000 1.050 180 K CA 2.840 59.093 56.287 -0.057 0.000 0.981 180 K CB -0.026 32.426 32.500 -0.079 0.000 0.795 180 K HN -0.979 7.245 8.250 0.019 0.038 0.477 181 F N 0.915 120.826 119.950 -0.065 0.000 2.269 181 F HA -0.348 4.131 4.527 -0.081 0.000 0.301 181 F C 1.827 177.617 175.800 -0.017 0.000 1.082 181 F CA 2.491 60.462 58.000 -0.048 0.000 1.360 181 F CB -0.042 38.960 39.000 0.003 0.000 1.041 181 F HN 0.319 8.474 8.300 0.107 0.209 0.512 182 Q N -1.894 118.009 119.800 0.172 0.000 2.046 182 Q HA -0.268 4.157 4.340 0.141 0.000 0.200 182 Q C 2.735 178.793 176.000 0.098 0.000 0.975 182 Q CA 2.972 58.844 55.803 0.116 0.000 0.836 182 Q CB -0.942 27.827 28.738 0.052 0.000 0.896 182 Q HN 0.516 8.749 8.270 0.114 0.105 0.428 183 G N -0.574 108.258 108.800 0.053 0.000 2.443 183 G HA2 -0.192 3.791 3.960 0.038 0.000 0.219 183 G HA3 -0.192 3.771 3.960 0.005 0.000 0.219 183 G C 0.358 175.280 174.900 0.036 0.000 1.131 183 G CA 0.951 46.070 45.100 0.031 0.000 0.775 183 G HN -0.392 7.918 8.290 0.034 0.000 0.547 184 I N -0.902 119.697 120.570 0.049 0.000 2.850 184 I HA -0.284 3.985 4.170 -0.023 -0.114 0.266 184 I C -0.191 175.999 176.117 0.122 0.000 1.257 184 I CA 0.458 61.787 61.300 0.048 0.000 1.465 184 I CB -0.176 37.835 38.000 0.019 0.000 1.091 184 I HN -0.453 7.657 8.210 0.062 0.137 0.467 185 K N -1.391 119.093 120.400 0.139 0.000 2.196 185 K HA -0.329 4.363 4.320 0.178 -0.265 0.254 185 K C 0.272 176.931 176.600 0.099 0.000 1.303 185 K CA 0.628 56.997 56.287 0.138 0.000 1.306 185 K CB -1.365 31.207 32.500 0.121 0.000 0.803 185 K HN -0.532 7.579 8.250 0.132 0.219 0.469 186 M N 4.021 123.672 119.600 0.084 0.000 2.064 186 M HA -0.192 4.313 4.480 0.043 0.000 0.260 186 M C 0.624 176.972 176.300 0.080 0.000 1.073 186 M CA 2.882 58.213 55.300 0.052 0.000 1.124 186 M CB 1.022 33.618 32.600 -0.006 0.000 1.326 186 M HN 0.114 8.458 8.290 0.090 0.000 0.410 187 C N -3.824 115.552 119.300 0.126 0.000 2.812 187 C HA -0.075 4.469 4.460 0.139 0.000 0.418 187 C C 0.502 175.621 174.990 0.215 0.000 0.953 187 C CA -0.417 58.688 59.018 0.144 0.000 1.066 187 C CB 1.606 29.406 27.740 0.100 0.000 1.555 187 C HN -0.278 8.042 8.230 0.149 0.000 0.623 188 G N 5.165 114.095 108.800 0.217 0.000 2.517 188 G HA2 -0.369 3.785 3.960 0.324 0.000 0.222 188 G HA3 -0.369 3.930 3.960 0.145 -0.252 0.222 188 G C 0.766 175.784 174.900 0.196 0.000 1.109 188 G CA 2.094 47.328 45.100 0.224 0.000 0.746 188 G HN 0.605 9.000 8.290 0.175 0.000 0.576 189 K N 0.448 120.936 120.400 0.148 0.000 2.076 189 K HA -0.128 4.253 4.320 0.103 0.000 0.204 189 K C 2.004 178.683 176.600 0.132 0.000 1.051 189 K CA 3.271 59.627 56.287 0.116 0.000 0.949 189 K CB 0.014 32.562 32.500 0.080 0.000 0.726 189 K HN -0.753 7.535 8.250 0.133 0.042 0.443 190 E N -0.018 120.265 120.200 0.139 0.000 2.216 190 E HA -0.199 4.202 4.350 0.085 0.000 0.192 190 E C 2.471 179.185 176.600 0.189 0.000 0.988 190 E CA 2.105 58.574 56.400 0.116 0.000 0.834 190 E CB -0.373 29.372 29.700 0.076 0.000 0.772 190 E HN -0.387 7.957 8.360 0.139 0.099 0.479 191 F N 2.385 122.409 119.950 0.123 0.000 2.084 191 F HA -0.289 4.401 4.527 0.272 0.000 0.296 191 F C 1.584 177.490 175.800 0.176 0.000 1.111 191 F CA 3.137 61.244 58.000 0.179 0.000 1.224 191 F CB -0.197 38.871 39.000 0.113 0.000 0.991 191 F HN 0.890 9.161 8.300 0.333 0.229 0.471 192 N N -1.304 117.601 118.700 0.342 0.000 2.104 192 N HA -0.357 4.480 4.740 0.161 0.000 0.190 192 N C 2.257 177.885 175.510 0.197 0.000 1.024 192 N CA 3.424 56.593 53.050 0.199 0.000 0.853 192 N CB -0.381 38.169 38.487 0.105 0.000 1.008 192 N HN 0.021 8.470 8.380 0.301 0.112 0.424 193 K N 0.314 120.800 120.400 0.143 0.000 2.076 193 K HA -0.144 4.209 4.320 0.054 0.000 0.204 193 K C 1.865 178.452 176.600 -0.022 0.000 1.051 193 K CA 2.815 59.138 56.287 0.060 0.000 0.949 193 K CB 0.202 32.723 32.500 0.035 0.000 0.726 193 K HN -0.145 8.195 8.250 0.149 0.000 0.443 194 A N -0.125 122.674 122.820 -0.035 0.000 1.877 194 A HA -0.247 3.790 4.320 -0.471 0.000 0.216 194 A C 1.941 179.096 177.584 -0.715 0.000 1.186 194 A CA 3.059 54.866 52.037 -0.384 0.000 0.620 194 A CB -0.958 17.950 19.000 -0.154 0.000 0.822 194 A HN 0.553 8.615 8.150 0.078 0.134 0.443 195 F N -1.254 118.641 119.950 -0.091 0.000 2.063 195 F HA -0.504 4.440 4.527 0.696 0.000 0.298 195 F C 2.074 177.878 175.800 0.007 0.000 1.109 195 F CA 4.520 62.647 58.000 0.212 0.000 1.212 195 F CB 0.031 39.235 39.000 0.341 0.000 0.973 195 F HN 0.315 8.788 8.300 0.474 0.111 0.480 196 E N -2.006 118.287 120.200 0.154 0.000 2.130 196 E HA -0.444 3.975 4.350 0.116 0.000 0.196 196 E C 1.726 178.288 176.600 -0.063 0.000 0.998 196 E CA 2.672 59.108 56.400 0.061 0.000 0.806 196 E CB -0.328 29.402 29.700 0.051 0.000 0.738 196 E HN -0.620 7.811 8.360 0.215 0.058 0.459 197 L N -2.221 118.864 121.223 -0.230 0.000 2.046 197 L HA -0.290 3.964 4.340 -0.143 0.000 0.208 197 L C 1.710 178.454 176.870 -0.211 0.000 1.077 197 L CA 2.059 56.735 54.840 -0.272 0.000 0.747 197 L CB -0.146 41.665 42.059 -0.413 0.000 0.896 197 L HN -0.209 7.616 8.230 -0.289 0.231 0.432 198 Y N -5.378 114.883 120.300 -0.065 0.000 2.352 198 Y HA -0.305 4.180 4.550 -0.109 0.000 0.292 198 Y C 1.901 177.732 175.900 -0.116 0.000 1.136 198 Y CA 0.220 58.237 58.100 -0.138 0.000 1.227 198 Y CB -0.501 37.782 38.460 -0.294 0.000 0.991 198 Y HN 0.105 7.701 8.280 -0.818 0.193 0.545 199 D N -0.717 119.701 120.400 0.029 0.000 2.600 199 D HA 0.030 4.684 4.640 0.024 0.000 0.226 199 D C 0.020 176.330 176.300 0.017 0.000 1.119 199 D CA -1.060 52.959 54.000 0.033 0.000 1.051 199 D CB -1.366 39.478 40.800 0.074 0.000 1.106 199 D HN -0.089 8.094 8.370 -0.007 0.183 0.491 200 Q N 1.345 121.152 119.800 0.012 0.000 2.230 200 Q HA -0.169 4.172 4.340 0.003 0.000 0.202 200 Q C 0.942 176.946 176.000 0.007 0.000 0.963 200 Q CA 2.005 57.812 55.803 0.007 0.000 0.866 200 Q CB -0.106 28.636 28.738 0.007 0.000 0.931 200 Q HN 0.073 8.304 8.270 0.013 0.047 0.452 201 D N -0.864 119.542 120.400 0.010 0.000 2.348 201 D HA 0.073 4.719 4.640 0.009 0.000 0.211 201 D C 0.189 176.500 176.300 0.018 0.000 0.998 201 D CA 0.042 54.049 54.000 0.013 0.000 0.873 201 D CB -0.006 40.802 40.800 0.013 0.000 0.925 201 D HN -0.092 8.258 8.370 0.010 0.026 0.524 202 G N -2.287 106.527 108.800 0.023 0.000 2.198 202 G HA2 -0.373 3.792 3.960 0.030 0.000 0.257 202 G HA3 -0.373 3.599 3.960 0.020 0.000 0.257 202 G C -0.048 174.871 174.900 0.032 0.000 1.042 202 G CA 0.536 45.652 45.100 0.027 0.000 0.791 202 G HN -0.329 7.817 8.290 0.024 0.158 0.502 203 N N -0.641 118.085 118.700 0.043 0.000 2.254 203 N HA 0.044 4.804 4.740 0.033 0.000 0.190 203 N C 0.289 175.831 175.510 0.053 0.000 1.107 203 N CA -0.197 52.881 53.050 0.047 0.000 0.869 203 N CB 0.697 39.221 38.487 0.062 0.000 0.983 203 N HN -0.334 8.247 8.380 0.046 -0.173 0.487 204 G N -1.477 107.366 108.800 0.073 0.000 2.157 204 G HA2 -0.390 3.626 3.960 0.093 0.000 0.248 204 G HA3 -0.390 3.591 3.960 0.034 0.000 0.248 204 G C -0.981 173.988 174.900 0.116 0.000 0.979 204 G CA 0.225 45.370 45.100 0.076 0.000 0.650 204 G HN -0.625 8.168 8.290 0.076 -0.458 0.529 205 Y N 0.049 120.313 120.300 -0.060 0.000 2.442 205 Y HA 0.265 4.698 4.550 -0.195 0.000 0.344 205 Y C -2.335 173.544 175.900 -0.035 0.000 0.976 205 Y CA -1.913 56.105 58.100 -0.137 0.000 1.040 205 Y CB 2.666 40.977 38.460 -0.248 0.000 1.228 205 Y HN -0.885 7.572 8.280 0.175 -0.072 0.451 206 I N 7.033 127.592 120.570 -0.019 0.000 2.404 206 I HA 0.472 4.826 4.170 -0.197 -0.302 0.293 206 I C -1.901 173.992 176.117 -0.373 0.000 0.992 206 I CA -2.227 58.963 61.300 -0.183 0.000 1.149 206 I CB 3.341 41.220 38.000 -0.201 0.000 1.315 206 I HN 0.398 8.749 8.210 0.235 0.000 0.446 207 D N 4.443 124.636 120.400 -0.345 0.000 2.326 207 D HA 0.190 4.708 4.640 -0.351 -0.089 0.251 207 D C 0.983 177.183 176.300 -0.166 0.000 1.023 207 D CA -1.435 52.389 54.000 -0.294 0.000 0.966 207 D CB 1.941 42.585 40.800 -0.259 0.000 1.156 207 D HN 0.078 8.435 8.370 -0.280 -0.155 0.494 208 E N -2.489 117.647 120.200 -0.107 0.000 2.339 208 E HA -0.484 3.836 4.350 -0.049 0.000 0.201 208 E C 1.272 177.818 176.600 -0.091 0.000 1.015 208 E CA 2.813 59.171 56.400 -0.070 0.000 0.841 208 E CB -0.456 29.217 29.700 -0.046 0.000 0.754 208 E HN -0.136 8.162 8.360 -0.102 0.000 0.508 209 N N -0.568 118.068 118.700 -0.107 0.000 2.197 209 N HA -0.125 4.753 4.740 -0.088 -0.192 0.184 209 N C 2.228 177.651 175.510 -0.146 0.000 1.030 209 N CA 2.622 55.610 53.050 -0.105 0.000 0.851 209 N CB -0.031 38.404 38.487 -0.087 0.000 1.003 209 N HN -0.506 7.912 8.380 -0.117 -0.108 0.430 210 E N 1.026 121.119 120.200 -0.179 0.000 2.219 210 E HA -0.359 3.862 4.350 -0.214 0.000 0.198 210 E C 2.075 178.427 176.600 -0.415 0.000 0.998 210 E CA 3.185 59.428 56.400 -0.263 0.000 0.818 210 E CB -0.427 29.124 29.700 -0.248 0.000 0.741 210 E HN -0.753 7.710 8.360 -0.166 -0.203 0.477 211 L N -1.972 119.085 121.223 -0.277 0.000 2.012 211 L HA -0.393 3.794 4.340 -0.255 0.000 0.210 211 L C 1.580 178.330 176.870 -0.200 0.000 1.073 211 L CA 4.253 58.967 54.840 -0.210 0.000 0.748 211 L CB -0.217 41.799 42.059 -0.072 0.000 0.891 211 L HN -0.259 7.800 8.230 -0.206 0.047 0.431 212 D N -2.248 118.059 120.400 -0.155 0.000 2.224 212 D HA -0.246 4.354 4.640 -0.067 0.000 0.205 212 D C 1.748 177.946 176.300 -0.170 0.000 0.965 212 D CA 2.714 56.646 54.000 -0.113 0.000 0.852 212 D CB -1.039 39.716 40.800 -0.075 0.000 0.947 212 D HN -0.244 7.942 8.370 -0.145 0.096 0.494 213 A N -1.492 121.171 122.820 -0.262 0.000 2.066 213 A HA -0.220 4.014 4.320 -0.143 0.000 0.218 213 A C 1.479 178.701 177.584 -0.604 0.000 1.157 213 A CA 2.776 54.639 52.037 -0.289 0.000 0.670 213 A CB -0.265 18.608 19.000 -0.212 0.000 0.804 213 A HN -0.132 7.780 8.150 -0.267 0.078 0.453 214 L N -0.388 120.287 121.223 -0.913 0.000 2.049 214 L HA -0.155 3.057 4.340 -1.880 0.000 0.203 214 L C 1.230 177.932 176.870 -0.279 0.000 1.074 214 L CA 3.080 57.295 54.840 -1.042 0.000 0.749 214 L CB -0.034 41.572 42.059 -0.756 0.000 0.907 214 L HN 0.030 7.667 8.230 -0.663 0.195 0.439 215 L N -0.624 120.511 121.223 -0.146 0.000 2.079 215 L HA -0.374 3.971 4.340 0.007 0.000 0.210 215 L C 2.458 179.311 176.870 -0.028 0.000 1.081 215 L CA 2.428 57.255 54.840 -0.022 0.000 0.752 215 L CB -2.079 40.012 42.059 0.053 0.000 0.896 215 L HN 0.458 8.418 8.230 -0.177 0.164 0.433 216 K N -0.743 119.631 120.400 -0.044 0.000 2.127 216 K HA -0.298 4.018 4.320 -0.006 0.000 0.208 216 K C 2.597 179.204 176.600 0.012 0.000 1.047 216 K CA 3.229 59.509 56.287 -0.012 0.000 0.927 216 K CB -0.679 31.814 32.500 -0.011 0.000 0.716 216 K HN 0.337 8.429 8.250 -0.086 0.106 0.450 217 D N -0.511 119.911 120.400 0.037 0.000 2.084 217 D HA -0.230 4.443 4.640 0.055 0.000 0.194 217 D C 2.327 178.638 176.300 0.017 0.000 0.990 217 D CA 3.647 57.683 54.000 0.060 0.000 0.826 217 D CB -0.044 40.836 40.800 0.133 0.000 0.971 217 D HN -0.684 7.597 8.370 0.024 0.104 0.453 218 L N -1.224 119.997 121.223 -0.003 0.000 1.990 218 L HA -0.368 3.947 4.340 -0.041 0.000 0.213 218 L C 2.013 178.841 176.870 -0.070 0.000 1.072 218 L CA 3.399 58.208 54.840 -0.052 0.000 0.755 218 L CB -1.326 40.673 42.059 -0.100 0.000 0.889 218 L HN -0.595 7.621 8.230 0.010 0.020 0.432 219 C N -2.431 116.838 119.300 -0.052 0.000 2.413 219 C HA -0.194 4.362 4.460 -0.056 -0.129 0.276 219 C C 2.215 177.192 174.990 -0.022 0.000 1.236 219 C CA 1.361 60.359 59.018 -0.033 0.000 1.735 219 C CB -1.369 26.374 27.740 0.005 0.000 2.031 219 C HN 0.486 8.589 8.230 -0.036 0.106 0.474 220 E N -0.594 119.600 120.200 -0.011 0.000 2.265 220 E HA -0.187 4.161 4.350 -0.004 0.000 0.196 220 E C 1.013 177.608 176.600 -0.008 0.000 0.996 220 E CA 2.122 58.519 56.400 -0.005 0.000 0.832 220 E CB -0.146 29.556 29.700 0.004 0.000 0.756 220 E HN -0.639 7.717 8.360 -0.007 0.000 0.491 221 K N -3.190 117.200 120.400 -0.016 0.000 2.166 221 K HA -0.041 4.274 4.320 -0.008 0.000 0.201 221 K C 0.662 177.246 176.600 -0.027 0.000 1.052 221 K CA 1.151 57.428 56.287 -0.016 0.000 0.969 221 K CB 1.006 33.498 32.500 -0.015 0.000 0.761 221 K HN -0.570 7.483 8.250 -0.021 0.185 0.459 222 N N -0.580 118.093 118.700 -0.046 0.000 2.751 222 N HA 0.232 4.951 4.740 -0.035 0.000 0.238 222 N C -1.351 174.125 175.510 -0.057 0.000 1.351 222 N CA 0.050 53.069 53.050 -0.052 0.000 0.751 222 N CB 1.104 39.550 38.487 -0.069 0.000 1.342 222 N HN 0.152 8.314 8.380 -0.055 0.186 0.540 223 K N 1.083 121.464 120.400 -0.031 0.000 2.519 223 K HA -0.239 4.307 4.320 -0.012 -0.233 0.196 223 K C 0.811 177.403 176.600 -0.013 0.000 1.041 223 K CA 2.689 58.967 56.287 -0.016 0.000 0.954 223 K CB -0.128 32.369 32.500 -0.006 0.000 0.774 223 K HN 0.279 8.515 8.250 -0.024 0.000 0.480 224 Q N -3.623 116.162 119.800 -0.025 0.000 2.245 224 Q HA -0.125 4.210 4.340 -0.009 0.000 0.201 224 Q C 0.524 176.507 176.000 -0.029 0.000 0.955 224 Q CA 2.389 58.180 55.803 -0.021 0.000 0.870 224 Q CB 0.037 28.761 28.738 -0.023 0.000 0.945 224 Q HN 0.136 8.284 8.270 -0.033 0.102 0.461 225 E N -4.852 115.307 120.200 -0.068 0.000 2.474 225 E HA 0.117 4.432 4.350 -0.058 0.000 0.215 225 E C -0.770 175.699 176.600 -0.218 0.000 0.867 225 E CA -0.026 56.301 56.400 -0.121 0.000 1.135 225 E CB 2.502 32.099 29.700 -0.172 0.000 1.147 225 E HN -0.206 7.960 8.360 -0.079 0.146 0.534 226 L N 1.530 122.640 121.223 -0.189 0.000 2.366 226 L HA 0.271 4.440 4.340 -0.286 0.000 0.266 226 L C -2.065 174.841 176.870 0.060 0.000 1.010 226 L CA -0.900 53.824 54.840 -0.194 0.000 0.879 226 L CB 0.776 42.621 42.059 -0.356 0.000 1.228 226 L HN 0.577 8.613 8.230 -0.130 0.116 0.439 227 D N 4.959 125.496 120.400 0.229 0.000 2.225 227 D HA 0.211 4.888 4.640 0.061 0.000 0.248 227 D C -0.077 176.280 176.300 0.096 0.000 1.096 227 D CA 0.050 54.118 54.000 0.113 0.000 0.863 227 D CB 2.560 43.405 40.800 0.075 0.000 1.156 227 D HN 0.299 8.960 8.370 0.484 0.000 0.450 228 I N 4.151 124.749 120.570 0.046 0.000 3.010 228 I HA -0.319 3.874 4.170 0.039 0.000 0.271 228 I C -0.288 175.830 176.117 0.002 0.000 1.293 228 I CA 2.147 63.462 61.300 0.025 0.000 1.452 228 I CB 0.231 38.237 38.000 0.010 0.000 1.082 228 I HN 0.498 8.728 8.210 0.033 0.000 0.484 229 N N -0.501 118.194 118.700 -0.008 0.000 2.197 229 N HA -0.088 4.634 4.740 -0.030 0.000 0.184 229 N C 1.269 176.735 175.510 -0.074 0.000 1.030 229 N CA 2.497 55.527 53.050 -0.034 0.000 0.851 229 N CB -0.657 37.813 38.487 -0.030 0.000 1.003 229 N HN 0.081 8.363 8.380 0.006 0.102 0.430 230 N N -0.165 118.464 118.700 -0.118 0.000 2.412 230 N HA -0.044 4.550 4.740 -0.244 0.000 0.184 230 N C 1.360 176.673 175.510 -0.329 0.000 1.101 230 N CA 1.062 53.939 53.050 -0.289 0.000 0.881 230 N CB 0.632 38.844 38.487 -0.458 0.000 0.969 230 N HN -0.680 7.657 8.380 -0.072 0.000 0.459 231 I N 0.962 121.506 120.570 -0.043 0.000 2.118 231 I HA -0.489 3.942 4.170 0.435 0.000 0.241 231 I C 1.545 177.675 176.117 0.021 0.000 1.070 231 I CA 3.503 64.879 61.300 0.127 0.000 1.327 231 I CB -1.191 36.867 38.000 0.097 0.000 1.034 231 I HN 0.625 8.670 8.210 -0.009 0.160 0.405 232 S N -2.098 113.579 115.700 -0.037 0.000 2.420 232 S HA -0.440 4.007 4.470 -0.039 0.000 0.237 232 S C 2.001 176.550 174.600 -0.086 0.000 1.023 232 S CA 3.710 61.878 58.200 -0.053 0.000 0.991 232 S CB -0.346 62.821 63.200 -0.056 0.000 0.792 232 S HN 0.401 8.687 8.310 -0.039 0.000 0.488 233 T N 2.899 117.359 114.554 -0.156 0.000 2.896 233 T HA -0.232 4.016 4.350 -0.169 0.000 0.263 233 T C 1.448 175.998 174.700 -0.249 0.000 1.050 233 T CA 4.602 66.565 62.100 -0.229 0.000 1.140 233 T CB -0.145 68.535 68.868 -0.314 0.000 0.877 233 T HN -0.188 7.783 8.240 -0.174 0.164 0.457 234 Y N 0.367 120.606 120.300 -0.102 0.000 2.274 234 Y HA -0.379 4.066 4.550 -0.175 0.000 0.290 234 Y C 1.713 177.583 175.900 -0.050 0.000 1.145 234 Y CA 2.562 60.616 58.100 -0.077 0.000 1.203 234 Y CB -0.932 37.512 38.460 -0.027 0.000 0.984 234 Y HN 0.729 8.638 8.280 -0.229 0.234 0.533 235 K N -1.171 119.274 120.400 0.075 0.000 2.217 235 K HA -0.276 4.076 4.320 0.054 0.000 0.202 235 K C 1.818 178.394 176.600 -0.040 0.000 1.051 235 K CA 2.335 58.631 56.287 0.016 0.000 0.952 235 K CB -0.436 32.048 32.500 -0.026 0.000 0.736 235 K HN 0.406 8.463 8.250 0.047 0.221 0.453 236 K N -0.508 119.838 120.400 -0.089 0.000 2.031 236 K HA -0.256 4.019 4.320 -0.075 0.000 0.205 236 K C 2.123 178.628 176.600 -0.159 0.000 1.049 236 K CA 2.966 59.188 56.287 -0.109 0.000 0.939 236 K CB -0.333 32.096 32.500 -0.118 0.000 0.717 236 K HN -0.474 7.557 8.250 -0.095 0.162 0.438 237 N N 0.142 118.650 118.700 -0.320 0.000 2.062 237 N HA -0.209 4.332 4.740 -0.331 0.000 0.191 237 N C 2.784 178.124 175.510 -0.284 0.000 1.042 237 N CA 2.594 55.325 53.050 -0.531 0.000 0.845 237 N CB -0.206 37.300 38.487 -1.636 0.000 1.024 237 N HN 0.044 8.118 8.380 -0.338 0.103 0.424 238 I N -0.455 120.014 120.570 -0.169 0.000 2.236 238 I HA -0.527 3.728 4.170 0.142 0.000 0.249 238 I C 2.259 178.417 176.117 0.068 0.000 1.102 238 I CA 3.428 64.769 61.300 0.067 0.000 1.365 238 I CB -0.879 37.210 38.000 0.148 0.000 1.051 238 I HN -0.519 7.566 8.210 -0.208 0.000 0.420 239 M N 1.123 120.734 119.600 0.018 0.000 2.144 239 M HA -0.400 4.117 4.480 0.062 0.000 0.260 239 M C 1.562 177.874 176.300 0.020 0.000 1.067 239 M CA 0.827 56.143 55.300 0.026 0.000 1.095 239 M CB -1.671 30.922 32.600 -0.013 0.000 1.365 239 M HN -0.445 7.731 8.290 -0.025 0.098 0.406 240 A N -1.280 121.533 122.820 -0.011 0.000 2.084 240 A HA -0.227 4.080 4.320 -0.021 0.000 0.221 240 A C 1.865 179.435 177.584 -0.024 0.000 1.161 240 A CA 2.634 54.661 52.037 -0.017 0.000 0.653 240 A CB -0.838 18.147 19.000 -0.024 0.000 0.802 240 A HN 0.623 8.576 8.150 -0.041 0.173 0.457 241 L N -6.749 114.481 121.223 0.011 0.000 2.693 241 L HA 0.205 4.445 4.340 -0.167 0.000 0.235 241 L C -0.382 176.469 176.870 -0.032 0.000 1.127 241 L CA -1.103 53.711 54.840 -0.043 0.000 0.914 241 L CB -0.045 42.079 42.059 0.108 0.000 1.193 241 L HN -0.095 7.980 8.230 0.048 0.183 0.502 242 S N -0.670 115.085 115.700 0.092 0.000 2.626 242 S HA 0.061 5.037 4.470 0.344 -0.300 0.257 242 S C -1.008 173.762 174.600 0.283 0.000 1.288 242 S CA 0.225 58.568 58.200 0.237 0.000 0.980 242 S CB 1.573 64.892 63.200 0.200 0.000 0.975 242 S HN -0.125 8.015 8.310 0.071 0.213 0.577 243 D N 0.031 120.686 120.400 0.425 0.000 2.392 243 D HA 0.112 4.944 4.640 0.319 0.000 0.228 243 D C 0.042 176.526 176.300 0.307 0.000 1.074 243 D CA -0.217 54.004 54.000 0.368 0.000 0.838 243 D CB 1.545 42.515 40.800 0.284 0.000 1.067 243 D HN -0.204 8.413 8.370 0.542 0.078 0.511 244 G N 5.886 114.794 108.800 0.180 0.000 2.366 244 G HA2 -0.439 3.575 3.960 0.090 0.000 0.299 244 G HA3 -0.439 3.605 3.960 0.139 0.000 0.299 244 G C 0.280 175.252 174.900 0.120 0.000 1.020 244 G CA 0.939 46.118 45.100 0.133 0.000 1.026 244 G HN 0.759 9.138 8.290 0.148 0.000 0.512 245 G N -4.309 104.549 108.800 0.096 0.000 2.184 245 G HA2 -0.555 3.424 3.960 0.032 0.000 0.264 245 G HA3 -0.555 3.425 3.960 0.033 0.000 0.264 245 G C -1.050 173.858 174.900 0.014 0.000 0.975 245 G CA 0.041 45.169 45.100 0.047 0.000 0.642 245 G HN 0.436 8.786 8.290 0.100 0.000 0.536 246 K N 0.308 120.748 120.400 0.068 0.000 2.463 246 K HA 0.438 4.575 4.320 -0.305 0.000 0.255 246 K C -1.668 174.993 176.600 0.100 0.000 0.942 246 K CA -1.422 54.768 56.287 -0.162 0.000 0.814 246 K CB 2.797 35.119 32.500 -0.297 0.000 1.122 246 K HN -0.122 8.013 8.250 0.185 0.225 0.425 247 L N 5.980 127.180 121.223 -0.039 0.000 2.326 247 L HA 0.211 4.921 4.340 0.478 -0.083 0.278 247 L C -2.268 174.963 176.870 0.602 0.000 1.092 247 L CA -1.369 53.680 54.840 0.348 0.000 0.810 247 L CB 1.683 43.900 42.059 0.264 0.000 1.153 247 L HN 1.043 9.042 8.230 -0.242 0.085 0.439 248 Y N 5.054 125.639 120.300 0.476 0.000 2.367 248 Y HA 0.202 5.011 4.550 0.431 0.000 0.342 248 Y C 0.862 176.864 175.900 0.169 0.000 0.979 248 Y CA -1.050 57.236 58.100 0.309 0.000 1.161 248 Y CB 0.625 39.127 38.460 0.069 0.000 1.155 248 Y HN -0.213 8.725 8.280 0.768 -0.197 0.503 249 R N 6.440 127.039 120.500 0.165 0.000 2.226 249 R HA -0.443 3.685 4.340 -0.354 0.000 0.246 249 R C 0.688 176.778 176.300 -0.350 0.000 1.161 249 R CA 3.203 59.068 56.100 -0.392 0.000 0.997 249 R CB -0.592 29.103 30.300 -1.007 0.000 0.870 249 R HN 0.630 9.050 8.270 0.250 0.000 0.465 250 T N -7.109 107.364 114.554 -0.135 0.000 2.996 250 T HA -0.314 3.904 4.350 -0.219 0.000 0.271 250 T C 0.121 174.783 174.700 -0.063 0.000 1.126 250 T CA 2.774 64.790 62.100 -0.141 0.000 1.103 250 T CB -1.073 67.727 68.868 -0.114 0.000 0.870 250 T HN 0.044 8.230 8.240 -0.021 0.042 0.528 251 D N -0.105 120.317 120.400 0.037 0.000 2.277 251 D HA 0.057 4.793 4.640 0.161 0.000 0.209 251 D C 1.107 177.464 176.300 0.094 0.000 0.970 251 D CA 1.496 55.575 54.000 0.131 0.000 0.874 251 D CB -0.081 40.852 40.800 0.221 0.000 0.982 251 D HN 0.022 8.241 8.370 0.062 0.188 0.504 252 L N -1.105 120.130 121.223 0.018 0.000 2.127 252 L HA -0.096 4.358 4.340 0.189 0.000 0.203 252 L C 2.212 178.987 176.870 -0.157 0.000 1.080 252 L CA 1.937 56.843 54.840 0.110 0.000 0.768 252 L CB -0.151 42.194 42.059 0.475 0.000 0.924 252 L HN -0.563 7.548 8.230 -0.033 0.100 0.444 253 A N 0.148 122.417 122.820 -0.917 0.000 1.958 253 A HA -0.332 1.628 4.320 -3.933 0.000 0.221 253 A C 1.265 178.655 177.584 -0.324 0.000 1.178 253 A CA 3.680 54.824 52.037 -1.489 0.000 0.642 253 A CB -0.787 17.616 19.000 -0.995 0.000 0.816 253 A HN -0.038 7.621 8.150 -0.819 0.000 0.453 254 L N -7.304 113.873 121.223 -0.076 0.000 2.275 254 L HA -0.152 4.289 4.340 0.168 0.000 0.215 254 L C 1.435 178.352 176.870 0.080 0.000 1.119 254 L CA 1.704 56.619 54.840 0.124 0.000 0.790 254 L CB -0.818 41.408 42.059 0.279 0.000 0.919 254 L HN -0.438 7.711 8.230 -0.106 0.017 0.443 255 I N -2.049 118.535 120.570 0.023 0.000 2.252 255 I HA -0.380 3.698 4.170 -0.154 0.000 0.245 255 I C 0.390 176.332 176.117 -0.292 0.000 1.102 255 I CA 3.105 64.293 61.300 -0.186 0.000 1.385 255 I CB 1.002 38.819 38.000 -0.306 0.000 1.064 255 I HN -0.060 7.997 8.210 0.042 0.179 0.414 256 L N -10.284 110.952 121.223 0.021 0.000 3.358 256 L HA 0.613 5.183 4.340 0.157 -0.136 0.301 256 L C -1.448 175.641 176.870 0.365 0.000 1.276 256 L CA -1.552 53.389 54.840 0.169 0.000 1.028 256 L CB 1.258 43.380 42.059 0.105 0.000 1.421 256 L HN -0.918 7.520 8.230 0.347 0.000 0.604 257 S N 0.234 116.158 115.700 0.373 0.000 2.516 257 S HA 0.009 4.748 4.470 0.448 0.000 0.282 257 S C 0.666 175.395 174.600 0.215 0.000 1.286 257 S CA -0.285 58.104 58.200 0.315 0.000 1.066 257 S CB 1.317 64.623 63.200 0.175 0.000 0.884 257 S HN -0.018 8.460 8.310 0.280 0.000 0.491 258 A N 3.754 126.687 122.820 0.189 0.000 2.148 258 A HA -0.231 4.173 4.320 0.141 0.000 0.222 258 A C -0.186 177.473 177.584 0.126 0.000 1.161 258 A CA 1.789 53.910 52.037 0.140 0.000 0.662 258 A CB -0.353 18.715 19.000 0.114 0.000 0.799 258 A HN 0.542 8.817 8.150 0.210 0.000 0.466 259 G N -5.738 103.131 108.800 0.116 0.000 2.188 259 G HA2 -0.199 3.813 3.960 0.086 0.000 0.112 259 G HA3 -0.199 3.822 3.960 0.102 0.000 0.112 259 G C -0.491 174.416 174.900 0.012 0.000 1.048 259 G CA -0.072 45.076 45.100 0.081 0.000 0.720 259 G HN -0.111 8.188 8.290 0.121 0.063 0.487 260 D N -0.351 120.062 120.400 0.021 0.000 2.280 260 D HA -0.291 4.358 4.640 0.015 0.000 0.206 260 D C 0.216 176.472 176.300 -0.074 0.000 0.988 260 D CA 1.427 55.428 54.000 0.000 0.000 0.886 260 D CB -0.069 40.752 40.800 0.033 0.000 0.914 260 D HN 0.083 8.489 8.370 0.060 0.000 0.473 261 N N 0.000 118.591 118.700 -0.181 0.000 1.763 261 N HA 0.000 4.431 4.740 -0.515 0.000 0.220 261 N CA 0.000 52.829 53.050 -0.369 0.000 0.885 261 N CB 0.000 38.353 38.487 -0.224 0.000 1.341 261 N HN 0.000 8.221 8.380 -0.156 0.066 0.667