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 1lmz_8_A DATA FIRST_RESID 1 DATA SEQUENCE MERCGWVSQD PLYIAYHDNE WGVPETDSKK LFEMICLEGQ QAGLSWITVL DATA SEQUENCE KKRENYRACF HQFDPVKVAA MQEEDVERLV QDAGIIRHRG KIQAIIGNAR DATA SEQUENCE AYLQMEQNGE PFADFVWSFV NHQPQMTQAT TLSEIPTSTP ASDALSKALK DATA SEQUENCE KRGFKFVGTT ICYSFMQACG LVNDHVVGCC CYPGNKP 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 4.487 4.480 0.012 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.306 55.300 0.011 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 E N 0.295 120.499 120.200 0.007 0.000 2.433 2 E HA 0.385 4.731 4.350 -0.007 0.000 0.278 2 E C -1.967 174.624 176.600 -0.014 0.000 0.976 2 E CA -1.312 55.086 56.400 -0.004 0.000 0.793 2 E CB 3.207 32.905 29.700 -0.002 0.000 1.311 2 E HN -0.159 8.286 8.360 0.013 -0.077 0.460 3 R N -0.395 120.085 120.500 -0.034 0.000 2.459 3 R HA 0.219 4.515 4.340 -0.074 0.000 0.281 3 R C 0.248 176.501 176.300 -0.077 0.000 1.050 3 R CA -0.610 55.447 56.100 -0.072 0.000 1.055 3 R CB 1.099 31.341 30.300 -0.097 0.000 1.045 3 R HN 0.300 8.552 8.270 -0.031 0.000 0.495 4 C N 1.990 121.214 119.300 -0.127 0.000 2.608 4 C HA -0.058 4.385 4.460 -0.028 0.000 0.407 4 C C 1.845 176.838 174.990 0.005 0.000 1.322 4 C CA 0.247 59.216 59.018 -0.082 0.000 1.778 4 C CB 1.422 29.002 27.740 -0.266 0.000 2.654 4 C HN -0.221 7.899 8.230 -0.183 0.000 0.622 5 G N 1.522 110.377 108.800 0.091 0.000 2.776 5 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.209 5 G HA3 -0.192 3.785 3.960 0.029 0.000 0.209 5 G C -0.263 174.676 174.900 0.064 0.000 1.145 5 G CA 0.536 45.663 45.100 0.046 0.000 0.791 5 G HN 0.417 8.781 8.290 0.123 0.000 0.530 6 W N -1.476 119.710 121.300 -0.190 0.000 2.325 6 W HA -0.282 4.279 4.660 -0.164 0.000 0.299 6 W C 0.288 176.699 176.519 -0.180 0.000 1.215 6 W CA 0.413 57.640 57.345 -0.197 0.000 1.244 6 W CB 0.044 29.337 29.460 -0.278 0.000 1.140 6 W HN -0.522 7.803 8.180 0.414 0.103 0.523 7 V N -6.597 113.335 119.914 0.030 0.000 2.439 7 V HA 0.252 4.397 4.120 0.041 0.000 0.282 7 V C -1.272 174.763 176.094 -0.098 0.000 1.039 7 V CA -0.512 61.778 62.300 -0.017 0.000 0.913 7 V CB 0.569 32.377 31.823 -0.026 0.000 0.983 7 V HN -0.879 7.308 8.190 0.016 0.013 0.460 8 S N 4.477 120.067 115.700 -0.183 0.000 2.655 8 S HA -0.017 4.409 4.470 -0.073 0.000 0.273 8 S C -1.257 173.250 174.600 -0.154 0.000 1.177 8 S CA -0.512 57.598 58.200 -0.149 0.000 0.918 8 S CB 1.247 64.349 63.200 -0.164 0.000 1.217 8 S HN -0.018 8.130 8.310 -0.271 0.000 0.492 9 Q N -0.472 119.271 119.800 -0.095 0.000 2.146 9 Q HA -0.355 3.972 4.340 -0.022 0.000 0.412 9 Q C -1.365 174.667 176.000 0.054 0.000 0.668 9 Q CA 1.927 57.709 55.803 -0.034 0.000 0.931 9 Q CB -0.450 28.248 28.738 -0.065 0.000 2.824 9 Q HN 0.173 8.393 8.270 -0.084 0.000 0.873 10 D N 0.574 121.065 120.400 0.153 0.000 2.362 10 D HA 0.164 4.871 4.640 0.112 0.000 0.242 10 D C -0.017 176.426 176.300 0.239 0.000 1.132 10 D CA -0.863 53.247 54.000 0.184 0.000 0.907 10 D CB 0.159 41.076 40.800 0.196 0.000 1.195 10 D HN 0.081 8.566 8.370 0.192 0.000 0.429 11 P HA -0.045 4.463 4.420 0.146 0.000 0.237 11 P C 0.688 178.084 177.300 0.160 0.000 1.178 11 P CA 1.230 64.416 63.100 0.143 0.000 0.766 11 P CB 0.360 32.112 31.700 0.088 0.000 0.876 12 L N -1.759 119.548 121.223 0.141 0.000 2.079 12 L HA -0.357 4.016 4.340 0.056 0.000 0.210 12 L C 1.215 178.126 176.870 0.069 0.000 1.081 12 L CA 3.102 57.968 54.840 0.043 0.000 0.752 12 L CB -0.280 41.723 42.059 -0.093 0.000 0.896 12 L HN -0.127 8.120 8.230 0.153 0.075 0.433 13 Y N -2.607 117.775 120.300 0.136 0.000 2.165 13 Y HA -0.445 4.268 4.550 0.271 0.000 0.286 13 Y C 2.539 178.552 175.900 0.190 0.000 1.155 13 Y CA 4.433 62.651 58.100 0.197 0.000 1.164 13 Y CB -0.941 37.614 38.460 0.159 0.000 0.978 13 Y HN -0.852 7.680 8.280 0.433 0.008 0.513 14 I N -1.347 119.392 120.570 0.282 0.000 2.252 14 I HA -0.575 3.685 4.170 0.151 0.000 0.245 14 I C 1.730 177.955 176.117 0.179 0.000 1.102 14 I CA 3.422 64.829 61.300 0.178 0.000 1.385 14 I CB -0.385 37.683 38.000 0.114 0.000 1.064 14 I HN -0.791 7.510 8.210 0.291 0.084 0.414 15 A N 0.228 123.145 122.820 0.162 0.000 1.883 15 A HA -0.369 4.015 4.320 0.106 0.000 0.217 15 A C 1.904 179.591 177.584 0.173 0.000 1.186 15 A CA 3.203 55.322 52.037 0.136 0.000 0.624 15 A CB -0.951 18.117 19.000 0.114 0.000 0.822 15 A HN -0.139 8.106 8.150 0.159 0.000 0.444 16 Y N -1.056 119.300 120.300 0.093 0.000 2.200 16 Y HA -0.474 4.128 4.550 0.088 0.000 0.290 16 Y C 1.526 177.520 175.900 0.157 0.000 1.137 16 Y CA 3.055 61.222 58.100 0.110 0.000 1.163 16 Y CB -0.089 38.434 38.460 0.105 0.000 0.988 16 Y HN -0.256 8.207 8.280 0.305 0.000 0.518 17 H N -1.077 117.935 119.070 -0.096 0.000 2.387 17 H HA -0.331 4.001 4.556 -0.374 0.000 0.299 17 H C 2.284 177.545 175.328 -0.112 0.000 1.090 17 H CA 3.904 59.816 56.048 -0.226 0.000 1.332 17 H CB 0.402 30.041 29.762 -0.205 0.000 1.386 17 H HN -0.447 7.921 8.280 0.273 0.076 0.516 18 D N -3.547 116.853 120.400 -0.001 0.000 2.340 18 D HA -0.009 4.595 4.640 -0.060 0.000 0.220 18 D C 0.268 176.540 176.300 -0.046 0.000 1.039 18 D CA 0.313 54.302 54.000 -0.017 0.000 0.866 18 D CB 0.176 41.011 40.800 0.058 0.000 0.913 18 D HN 0.009 8.342 8.370 0.096 0.095 0.523 19 N N -0.560 118.102 118.700 -0.064 0.000 2.085 19 N HA -0.109 4.632 4.740 0.003 0.000 0.191 19 N C 0.483 175.949 175.510 -0.073 0.000 1.058 19 N CA 1.829 54.861 53.050 -0.031 0.000 0.849 19 N CB 1.350 39.860 38.487 0.039 0.000 1.038 19 N HN -0.697 7.421 8.380 -0.089 0.209 0.434 20 E N -3.354 116.760 120.200 -0.143 0.000 3.625 20 E HA 0.158 4.439 4.350 -0.114 0.000 0.166 20 E C -1.924 174.551 176.600 -0.208 0.000 0.978 20 E CA -1.004 55.317 56.400 -0.132 0.000 1.429 20 E CB 1.034 30.696 29.700 -0.063 0.000 1.100 20 E HN -0.468 7.745 8.360 -0.244 0.000 0.428 21 W N 1.528 122.534 121.300 -0.490 0.000 2.365 21 W HA -0.021 4.391 4.660 -0.414 0.000 0.316 21 W C 0.206 176.471 176.519 -0.423 0.000 1.164 21 W CA 1.221 58.252 57.345 -0.522 0.000 1.204 21 W CB 0.845 29.871 29.460 -0.724 0.000 1.213 21 W HN -0.730 7.320 8.180 -0.216 0.000 0.539 22 G N 5.865 114.080 108.800 -0.975 0.000 2.258 22 G HA2 -0.357 2.908 3.960 -1.157 0.000 0.233 22 G HA3 -0.357 3.469 3.960 -0.222 0.000 0.233 22 G C -0.695 173.937 174.900 -0.447 0.000 1.006 22 G CA -0.359 44.315 45.100 -0.709 0.000 0.620 22 G HN 0.330 7.645 8.290 -1.626 0.000 0.511 23 V N 2.881 122.577 119.914 -0.364 0.000 2.555 23 V HA 0.051 4.041 4.120 -0.216 0.000 0.286 23 V C -1.724 174.192 176.094 -0.297 0.000 1.044 23 V CA -2.167 59.977 62.300 -0.259 0.000 1.026 23 V CB 0.550 32.262 31.823 -0.184 0.000 0.981 23 V HN -0.602 7.268 8.190 -0.368 0.100 0.480 24 P HA 0.151 4.583 4.420 -0.370 -0.234 0.276 24 P C -1.162 175.985 177.300 -0.254 0.000 1.264 24 P CA -0.802 62.112 63.100 -0.310 0.000 0.769 24 P CB 0.353 31.871 31.700 -0.304 0.000 0.840 25 E N 4.209 124.260 120.200 -0.249 0.000 2.191 25 E HA 0.243 4.531 4.350 -0.102 0.000 0.278 25 E C -0.277 176.239 176.600 -0.140 0.000 0.972 25 E CA -0.693 55.627 56.400 -0.133 0.000 0.804 25 E CB 1.740 31.411 29.700 -0.049 0.000 1.110 25 E HN -0.150 8.033 8.360 -0.294 0.000 0.394 26 T N -2.233 112.295 114.554 -0.043 0.000 3.087 26 T HA 0.139 4.525 4.350 0.061 0.000 0.283 26 T C -1.367 173.432 174.700 0.166 0.000 0.956 26 T CA -1.057 61.073 62.100 0.050 0.000 0.894 26 T CB 1.026 69.910 68.868 0.026 0.000 1.160 26 T HN 0.168 8.398 8.240 -0.017 0.000 0.532 27 D N 2.519 123.001 120.400 0.136 0.000 2.256 27 D HA 0.243 4.984 4.640 0.168 0.000 0.250 27 D C 0.897 177.333 176.300 0.226 0.000 1.093 27 D CA -0.336 53.761 54.000 0.162 0.000 0.882 27 D CB 0.984 41.851 40.800 0.112 0.000 1.185 27 D HN -0.419 8.006 8.370 0.092 0.000 0.437 28 S N 2.772 118.637 115.700 0.276 0.000 2.383 28 S HA -0.438 4.331 4.470 0.499 0.000 0.229 28 S C 1.412 176.162 174.600 0.249 0.000 1.030 28 S CA 3.896 62.324 58.200 0.381 0.000 1.002 28 S CB 0.142 63.625 63.200 0.473 0.000 0.829 28 S HN 0.588 9.048 8.310 0.250 0.000 0.467 29 K N 1.990 122.485 120.400 0.158 0.000 2.063 29 K HA -0.403 3.940 4.320 0.040 0.000 0.208 29 K C 2.364 179.058 176.600 0.157 0.000 1.048 29 K CA 3.398 59.750 56.287 0.108 0.000 0.928 29 K CB -0.644 31.904 32.500 0.080 0.000 0.713 29 K HN 0.367 8.701 8.250 0.157 0.010 0.442 30 K N -0.802 119.683 120.400 0.142 0.000 2.001 30 K HA -0.227 4.154 4.320 0.101 0.000 0.208 30 K C 2.597 179.278 176.600 0.136 0.000 1.048 30 K CA 2.945 59.304 56.287 0.120 0.000 0.932 30 K CB -0.228 32.331 32.500 0.097 0.000 0.715 30 K HN -0.783 7.551 8.250 0.141 0.000 0.437 31 L N -1.445 119.893 121.223 0.192 0.000 2.201 31 L HA -0.215 4.249 4.340 0.207 0.000 0.212 31 L C 2.251 179.186 176.870 0.108 0.000 1.105 31 L CA 3.064 58.027 54.840 0.204 0.000 0.775 31 L CB -0.396 41.847 42.059 0.306 0.000 0.913 31 L HN -0.306 8.054 8.230 0.217 0.000 0.440 32 F N 1.897 121.814 119.950 -0.054 0.000 2.075 32 F HA -0.486 3.838 4.527 -0.339 0.000 0.297 32 F C 1.333 177.001 175.800 -0.220 0.000 1.113 32 F CA 4.075 61.904 58.000 -0.285 0.000 1.218 32 F CB 0.072 38.735 39.000 -0.562 0.000 0.984 32 F HN 0.711 8.944 8.300 0.255 0.219 0.472 33 E N -1.233 118.786 120.200 -0.302 0.000 2.152 33 E HA -0.305 3.608 4.350 -0.729 0.000 0.192 33 E C 2.175 178.588 176.600 -0.312 0.000 0.983 33 E CA 2.361 58.514 56.400 -0.412 0.000 0.818 33 E CB -0.373 29.245 29.700 -0.137 0.000 0.758 33 E HN -0.610 7.767 8.360 0.028 0.000 0.467 34 M N 0.750 120.265 119.600 -0.142 0.000 2.077 34 M HA -0.274 4.176 4.480 -0.049 0.000 0.261 34 M C 1.954 178.208 176.300 -0.076 0.000 1.070 34 M CA 3.191 58.466 55.300 -0.042 0.000 1.125 34 M CB -0.117 32.551 32.600 0.114 0.000 1.339 34 M HN -0.431 7.716 8.290 -0.075 0.098 0.409 35 I N 0.207 120.698 120.570 -0.132 0.000 2.286 35 I HA -0.316 3.806 4.170 -0.080 0.000 0.248 35 I C 1.725 177.728 176.117 -0.190 0.000 1.115 35 I CA 2.589 63.783 61.300 -0.176 0.000 1.392 35 I CB -0.076 37.743 38.000 -0.302 0.000 1.065 35 I HN 0.136 8.158 8.210 -0.135 0.106 0.418 36 C N -1.577 117.528 119.300 -0.326 0.000 2.476 36 C HA -0.404 3.982 4.460 -0.123 0.000 0.278 36 C C 1.833 176.635 174.990 -0.313 0.000 1.274 36 C CA 4.044 62.873 59.018 -0.314 0.000 1.713 36 C CB -0.206 27.171 27.740 -0.606 0.000 2.039 36 C HN -0.548 7.417 8.230 -0.441 0.000 0.484 37 L N -0.081 120.905 121.223 -0.396 0.000 2.046 37 L HA -0.281 3.747 4.340 -0.520 0.000 0.208 37 L C 2.272 179.007 176.870 -0.225 0.000 1.077 37 L CA 3.083 57.680 54.840 -0.404 0.000 0.747 37 L CB 0.112 41.917 42.059 -0.424 0.000 0.896 37 L HN 0.238 8.090 8.230 -0.425 0.123 0.432 38 E N -1.534 118.588 120.200 -0.131 0.000 2.209 38 E HA -0.382 3.952 4.350 -0.027 0.000 0.196 38 E C 2.629 179.214 176.600 -0.025 0.000 0.993 38 E CA 2.633 59.013 56.400 -0.033 0.000 0.819 38 E CB -0.546 29.182 29.700 0.048 0.000 0.745 38 E HN 0.117 8.396 8.360 -0.136 0.000 0.477 39 G N -0.798 107.977 108.800 -0.043 0.000 2.503 39 G HA2 -0.316 3.837 3.960 0.094 0.000 0.221 39 G HA3 -0.316 3.653 3.960 0.014 0.000 0.221 39 G C 1.226 176.053 174.900 -0.120 0.000 1.131 39 G CA 1.814 46.915 45.100 0.001 0.000 0.756 39 G HN -0.501 7.608 8.290 -0.076 0.136 0.572 40 Q N 0.226 119.915 119.800 -0.186 0.000 2.224 40 Q HA -0.367 3.747 4.340 -0.376 0.000 0.203 40 Q C 2.492 178.397 176.000 -0.158 0.000 0.970 40 Q CA 2.210 57.868 55.803 -0.241 0.000 0.865 40 Q CB -0.274 28.344 28.738 -0.200 0.000 0.922 40 Q HN -0.319 7.733 8.270 -0.178 0.111 0.445 41 Q N 0.555 120.308 119.800 -0.078 0.000 2.217 41 Q HA -0.329 3.986 4.340 -0.043 0.000 0.209 41 Q C 0.098 176.097 176.000 -0.002 0.000 0.988 41 Q CA 1.919 57.712 55.803 -0.017 0.000 0.878 41 Q CB 0.049 28.828 28.738 0.069 0.000 0.909 41 Q HN -0.011 8.063 8.270 -0.070 0.154 0.424 42 A N -1.324 121.502 122.820 0.010 0.000 2.550 42 A HA -0.287 4.094 4.320 0.102 0.000 0.263 42 A C 0.277 177.867 177.584 0.009 0.000 1.065 42 A CA 1.552 53.628 52.037 0.065 0.000 0.786 42 A CB -0.734 18.379 19.000 0.188 0.000 0.985 42 A HN -0.591 7.539 8.150 0.000 0.020 0.518 43 G N 2.273 111.090 108.800 0.028 0.000 2.317 43 G HA2 -0.246 3.726 3.960 0.020 0.000 0.227 43 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.227 43 G C -0.584 174.296 174.900 -0.033 0.000 1.042 43 G CA 0.366 45.468 45.100 0.003 0.000 0.623 43 G HN 0.097 8.419 8.290 0.053 0.000 0.509 44 L N -1.530 119.658 121.223 -0.058 0.000 2.926 44 L HA 0.203 4.479 4.340 -0.106 0.000 0.183 44 L C -1.133 175.646 176.870 -0.152 0.000 1.766 44 L CA -0.798 53.979 54.840 -0.105 0.000 2.062 44 L CB 1.038 43.029 42.059 -0.113 0.000 2.755 44 L HN 0.053 8.034 8.230 -0.052 0.218 0.584 45 S N -3.402 112.148 115.700 -0.250 0.000 2.588 45 S HA 0.319 4.582 4.470 -0.345 0.000 0.275 45 S C 0.205 174.566 174.600 -0.399 0.000 1.130 45 S CA -1.335 56.562 58.200 -0.505 0.000 0.855 45 S CB 2.218 64.865 63.200 -0.921 0.000 1.116 45 S HN -0.264 7.910 8.310 -0.227 0.000 0.472 46 W N 0.068 121.352 121.300 -0.026 0.000 2.325 46 W HA -0.266 4.352 4.660 -0.070 0.000 0.299 46 W C 1.053 177.489 176.519 -0.139 0.000 1.215 46 W CA 3.352 60.662 57.345 -0.058 0.000 1.244 46 W CB -0.605 28.857 29.460 0.004 0.000 1.140 46 W HN 0.648 8.842 8.180 0.024 0.000 0.523 47 I N -0.610 119.589 120.570 -0.619 0.000 2.226 47 I HA -0.429 3.465 4.170 -0.460 0.000 0.245 47 I C 0.939 176.848 176.117 -0.347 0.000 1.100 47 I CA 2.306 63.310 61.300 -0.493 0.000 1.374 47 I CB -0.206 37.473 38.000 -0.535 0.000 1.057 47 I HN -0.187 7.122 8.210 -1.484 0.010 0.413 48 T N 2.074 116.437 114.554 -0.318 0.000 2.788 48 T HA -0.313 3.928 4.350 -0.182 0.000 0.268 48 T C 2.111 176.714 174.700 -0.162 0.000 1.044 48 T CA 4.835 66.811 62.100 -0.207 0.000 1.139 48 T CB -0.669 68.087 68.868 -0.187 0.000 0.867 48 T HN -0.537 7.364 8.240 -0.411 0.093 0.454 49 V N 2.252 122.069 119.914 -0.160 0.000 2.343 49 V HA -0.454 3.595 4.120 -0.119 0.000 0.247 49 V C 1.607 177.610 176.094 -0.151 0.000 1.051 49 V CA 4.446 66.664 62.300 -0.135 0.000 1.036 49 V CB -0.758 30.998 31.823 -0.111 0.000 0.654 49 V HN -0.422 7.560 8.190 -0.173 0.104 0.451 50 L N -1.509 119.591 121.223 -0.205 0.000 1.989 50 L HA -0.598 3.616 4.340 -0.209 0.000 0.211 50 L C 2.226 179.026 176.870 -0.117 0.000 1.071 50 L CA 3.718 58.434 54.840 -0.207 0.000 0.749 50 L CB -1.076 40.814 42.059 -0.282 0.000 0.890 50 L HN -0.466 7.626 8.230 -0.230 0.000 0.431 51 K N -1.794 118.536 120.400 -0.117 0.000 2.057 51 K HA -0.290 4.166 4.320 -0.052 -0.167 0.207 51 K C 2.913 179.497 176.600 -0.026 0.000 1.049 51 K CA 3.137 59.385 56.287 -0.066 0.000 0.931 51 K CB -0.159 32.297 32.500 -0.074 0.000 0.714 51 K HN -0.733 7.423 8.250 -0.156 0.000 0.440 52 K N -2.823 117.559 120.400 -0.030 0.000 2.366 52 K HA -0.091 4.259 4.320 0.051 0.000 0.198 52 K C 2.259 178.898 176.600 0.065 0.000 1.044 52 K CA 1.188 57.491 56.287 0.026 0.000 0.973 52 K CB -0.738 31.768 32.500 0.009 0.000 0.767 52 K HN -0.146 8.065 8.250 -0.065 0.000 0.475 53 R N 1.023 121.523 120.500 0.001 0.000 2.073 53 R HA -0.420 3.904 4.340 -0.026 0.000 0.234 53 R C 1.954 178.312 176.300 0.096 0.000 1.134 53 R CA 4.061 60.166 56.100 0.008 0.000 0.952 53 R CB -0.097 30.174 30.300 -0.049 0.000 0.850 53 R HN 0.617 8.606 8.270 -0.043 0.255 0.433 54 E N -2.175 118.065 120.200 0.068 0.000 2.072 54 E HA -0.303 4.096 4.350 0.082 0.000 0.190 54 E C 2.478 179.142 176.600 0.106 0.000 0.982 54 E CA 2.779 59.225 56.400 0.077 0.000 0.803 54 E CB -0.670 29.054 29.700 0.041 0.000 0.755 54 E HN -0.497 7.882 8.360 0.032 0.000 0.453 55 N N -0.108 118.655 118.700 0.105 0.000 2.188 55 N HA -0.249 4.541 4.740 0.083 0.000 0.184 55 N C 1.769 177.389 175.510 0.182 0.000 1.018 55 N CA 2.511 55.628 53.050 0.111 0.000 0.858 55 N CB -0.097 38.443 38.487 0.087 0.000 0.989 55 N HN -0.723 7.707 8.380 0.082 0.000 0.426 56 Y N 1.965 122.334 120.300 0.115 0.000 2.128 56 Y HA -0.495 4.255 4.550 0.335 0.000 0.284 56 Y C 1.450 177.543 175.900 0.322 0.000 1.154 56 Y CA 4.273 62.504 58.100 0.218 0.000 1.149 56 Y CB 0.164 38.647 38.460 0.038 0.000 0.976 56 Y HN 0.606 8.925 8.280 0.290 0.135 0.505 57 R N -1.928 118.807 120.500 0.392 0.000 2.091 57 R HA -0.533 4.059 4.340 0.421 0.000 0.238 57 R C 2.516 178.944 176.300 0.213 0.000 1.136 57 R CA 3.696 59.989 56.100 0.321 0.000 0.959 57 R CB -0.489 29.945 30.300 0.224 0.000 0.856 57 R HN -0.489 8.018 8.270 0.395 0.000 0.437 58 A N -0.613 122.289 122.820 0.136 0.000 1.958 58 A HA -0.209 4.158 4.320 0.077 0.000 0.221 58 A C 1.278 178.897 177.584 0.059 0.000 1.178 58 A CA 2.726 54.813 52.037 0.083 0.000 0.642 58 A CB -0.750 18.283 19.000 0.055 0.000 0.816 58 A HN -0.142 8.019 8.150 0.137 0.072 0.453 59 C N -5.156 114.159 119.300 0.026 0.000 2.611 59 C HA -0.038 4.388 4.460 -0.056 0.000 0.282 59 C C 1.109 176.004 174.990 -0.158 0.000 1.321 59 C CA 1.832 60.799 59.018 -0.086 0.000 1.747 59 C CB 1.537 29.178 27.740 -0.165 0.000 2.124 59 C HN -0.572 7.592 8.230 0.056 0.100 0.531 60 F N -0.991 118.871 119.950 -0.146 0.000 2.582 60 F HA -0.003 4.637 4.527 0.189 0.000 0.290 60 F C 1.736 177.587 175.800 0.085 0.000 1.115 60 F CA 2.469 60.423 58.000 -0.076 0.000 1.445 60 F CB 0.410 39.040 39.000 -0.616 0.000 1.126 60 F HN 0.506 8.656 8.300 0.069 0.192 0.574 61 H N 1.397 120.565 119.070 0.164 0.000 2.496 61 H HA -0.332 4.324 4.556 0.166 0.000 0.296 61 H C 0.500 175.845 175.328 0.027 0.000 1.107 61 H CA 3.674 59.792 56.048 0.116 0.000 1.263 61 H CB 0.102 29.910 29.762 0.076 0.000 1.369 61 H HN 0.573 8.884 8.280 0.316 0.158 0.541 62 Q N -4.866 114.836 119.800 -0.164 0.000 2.339 62 Q HA -0.091 4.004 4.340 -0.407 0.000 0.205 62 Q C 0.096 175.825 176.000 -0.452 0.000 0.925 62 Q CA 1.265 56.833 55.803 -0.393 0.000 0.898 62 Q CB 0.635 29.083 28.738 -0.483 0.000 1.013 62 Q HN -0.291 7.898 8.270 -0.044 0.055 0.504 63 F N 1.012 120.916 119.950 -0.077 0.000 2.606 63 F HA 0.100 4.600 4.527 -0.046 0.000 0.347 63 F C -1.176 174.652 175.800 0.047 0.000 1.207 63 F CA -0.814 57.171 58.000 -0.026 0.000 1.306 63 F CB -1.504 37.471 39.000 -0.041 0.000 1.657 63 F HN -0.224 7.955 8.300 0.022 0.135 0.606 64 D N 3.342 123.796 120.400 0.089 0.000 2.515 64 D HA -0.120 4.573 4.640 0.088 0.000 0.230 64 D C -0.188 176.193 176.300 0.136 0.000 1.181 64 D CA 1.080 55.129 54.000 0.081 0.000 0.875 64 D CB 0.010 40.812 40.800 0.004 0.000 1.213 64 D HN -0.819 7.477 8.370 -0.034 0.054 0.478 65 P HA -0.326 4.165 4.420 0.119 0.000 0.219 65 P C 1.334 178.677 177.300 0.072 0.000 1.161 65 P CA 3.228 66.359 63.100 0.051 0.000 0.909 65 P CB 0.148 31.770 31.700 -0.130 0.000 0.793 66 V N -3.409 116.535 119.914 0.050 0.000 2.287 66 V HA -0.497 3.654 4.120 0.052 0.000 0.248 66 V C 2.080 178.226 176.094 0.087 0.000 1.053 66 V CA 3.822 66.156 62.300 0.057 0.000 1.027 66 V CB -0.268 31.578 31.823 0.037 0.000 0.646 66 V HN -0.005 8.203 8.190 0.030 0.000 0.447 67 K N -1.069 119.401 120.400 0.117 0.000 2.148 67 K HA -0.315 4.086 4.320 0.137 0.000 0.204 67 K C 2.317 179.034 176.600 0.195 0.000 1.050 67 K CA 2.749 59.141 56.287 0.175 0.000 0.942 67 K CB -0.289 32.354 32.500 0.239 0.000 0.724 67 K HN -0.459 7.776 8.250 0.105 0.078 0.446 68 V N -0.038 119.998 119.914 0.203 0.000 2.287 68 V HA -0.426 3.773 4.120 0.132 0.000 0.248 68 V C 2.620 178.778 176.094 0.107 0.000 1.053 68 V CA 3.845 66.251 62.300 0.177 0.000 1.027 68 V CB -0.131 31.847 31.823 0.258 0.000 0.646 68 V HN -0.021 8.168 8.190 0.206 0.125 0.447 69 A N -2.415 120.468 122.820 0.105 0.000 2.067 69 A HA -0.140 4.222 4.320 0.069 0.000 0.217 69 A C 0.036 177.652 177.584 0.053 0.000 1.156 69 A CA 1.899 53.981 52.037 0.075 0.000 0.683 69 A CB -0.200 18.845 19.000 0.076 0.000 0.808 69 A HN -0.527 7.692 8.150 0.116 0.000 0.455 70 A N -3.367 119.490 122.820 0.062 0.000 2.251 70 A HA 0.006 4.350 4.320 0.039 0.000 0.209 70 A C 0.242 177.849 177.584 0.038 0.000 1.187 70 A CA -0.034 52.033 52.037 0.051 0.000 0.823 70 A CB -0.228 18.811 19.000 0.064 0.000 0.846 70 A HN -0.677 7.360 8.150 0.082 0.163 0.486 71 M N -0.420 119.188 119.600 0.013 0.000 2.238 71 M HA -0.188 4.273 4.480 -0.032 0.000 0.347 71 M C -0.803 175.468 176.300 -0.048 0.000 1.173 71 M CA 0.923 56.187 55.300 -0.060 0.000 1.147 71 M CB 0.606 33.078 32.600 -0.213 0.000 1.547 71 M HN -0.760 7.356 8.290 0.024 0.188 0.455 72 Q N 1.990 121.761 119.800 -0.048 0.000 2.180 72 Q HA 0.052 4.380 4.340 -0.020 0.000 0.241 72 Q C 1.053 177.026 176.000 -0.046 0.000 0.970 72 Q CA -0.712 55.073 55.803 -0.031 0.000 0.919 72 Q CB 2.480 31.209 28.738 -0.015 0.000 1.222 72 Q HN 0.045 8.284 8.270 -0.051 0.000 0.482 73 E N 1.847 122.029 120.200 -0.029 0.000 2.153 73 E HA -0.345 3.986 4.350 -0.031 0.000 0.194 73 E C 2.159 178.738 176.600 -0.035 0.000 0.988 73 E CA 3.374 59.757 56.400 -0.028 0.000 0.811 73 E CB -0.330 29.362 29.700 -0.013 0.000 0.746 73 E HN 0.558 8.907 8.360 -0.019 0.000 0.466 74 E N -1.923 118.260 120.200 -0.029 0.000 2.077 74 E HA -0.256 4.080 4.350 -0.023 0.000 0.193 74 E C 2.291 178.866 176.600 -0.042 0.000 0.989 74 E CA 3.055 59.439 56.400 -0.027 0.000 0.800 74 E CB -0.823 28.868 29.700 -0.016 0.000 0.746 74 E HN 0.336 8.666 8.360 -0.023 0.016 0.452 75 D N -0.944 119.420 120.400 -0.060 0.000 2.144 75 D HA -0.196 4.413 4.640 -0.052 0.000 0.199 75 D C 1.988 178.203 176.300 -0.143 0.000 0.984 75 D CA 2.648 56.590 54.000 -0.096 0.000 0.834 75 D CB -0.409 40.299 40.800 -0.153 0.000 0.955 75 D HN -0.762 7.485 8.370 -0.055 0.090 0.465 76 V N -0.477 119.357 119.914 -0.134 0.000 2.332 76 V HA -0.624 3.395 4.120 -0.169 0.000 0.248 76 V C 1.845 177.894 176.094 -0.074 0.000 1.055 76 V CA 4.455 66.686 62.300 -0.115 0.000 1.038 76 V CB -0.079 31.708 31.823 -0.061 0.000 0.651 76 V HN -0.736 7.288 8.190 -0.112 0.098 0.450 77 E N -1.613 118.556 120.200 -0.052 0.000 2.153 77 E HA -0.379 3.952 4.350 -0.030 0.000 0.194 77 E C 2.159 178.736 176.600 -0.038 0.000 0.988 77 E CA 3.254 59.633 56.400 -0.036 0.000 0.811 77 E CB -0.459 29.225 29.700 -0.027 0.000 0.746 77 E HN -0.632 7.698 8.360 -0.051 0.000 0.466 78 R N -0.604 119.869 120.500 -0.045 0.000 2.091 78 R HA -0.287 4.039 4.340 -0.023 0.000 0.238 78 R C 2.131 178.407 176.300 -0.041 0.000 1.136 78 R CA 3.166 59.245 56.100 -0.033 0.000 0.959 78 R CB -0.368 29.919 30.300 -0.022 0.000 0.856 78 R HN -0.761 7.357 8.270 -0.053 0.120 0.437 79 L N -3.105 118.075 121.223 -0.071 0.000 2.109 79 L HA -0.100 4.403 4.340 -0.062 -0.200 0.207 79 L C 1.884 178.730 176.870 -0.039 0.000 1.086 79 L CA 2.161 56.955 54.840 -0.076 0.000 0.760 79 L CB -0.074 41.891 42.059 -0.157 0.000 0.910 79 L HN -0.662 7.510 8.230 -0.097 0.000 0.437 80 V N -3.399 116.496 119.914 -0.031 0.000 2.453 80 V HA -0.537 3.583 4.120 0.001 0.000 0.252 80 V C 2.169 178.256 176.094 -0.012 0.000 1.068 80 V CA 3.711 66.003 62.300 -0.012 0.000 1.070 80 V CB -0.177 31.636 31.823 -0.016 0.000 0.664 80 V HN -0.529 7.554 8.190 -0.042 0.081 0.461 81 Q N -1.581 118.210 119.800 -0.016 0.000 2.063 81 Q HA -0.141 4.192 4.340 -0.010 0.000 0.194 81 Q C 0.610 176.604 176.000 -0.010 0.000 0.974 81 Q CA 1.765 57.560 55.803 -0.012 0.000 0.827 81 Q CB 0.778 29.509 28.738 -0.013 0.000 0.902 81 Q HN -0.741 7.499 8.270 -0.021 0.017 0.462 82 D N -1.917 118.475 120.400 -0.013 0.000 2.412 82 D HA 0.072 4.708 4.640 -0.007 0.000 0.224 82 D C -1.703 174.589 176.300 -0.014 0.000 1.093 82 D CA -0.503 53.490 54.000 -0.011 0.000 0.850 82 D CB 0.815 41.609 40.800 -0.011 0.000 1.046 82 D HN -0.546 7.814 8.370 -0.016 0.000 0.507 83 A N 5.900 128.717 122.820 -0.006 0.000 2.373 83 A HA 0.325 4.638 4.320 -0.011 0.000 0.190 83 A C -1.232 176.361 177.584 0.015 0.000 1.544 83 A CA 0.412 52.448 52.037 -0.002 0.000 1.699 83 A CB 0.611 19.608 19.000 -0.004 0.000 1.614 83 A HN 0.018 8.167 8.150 -0.002 0.000 0.667 84 G N -2.291 106.521 108.800 0.019 0.000 2.175 84 G HA2 -0.233 3.737 3.960 0.016 0.000 0.244 84 G HA3 -0.233 3.739 3.960 0.020 0.000 0.244 84 G C -0.133 174.789 174.900 0.037 0.000 0.982 84 G CA 0.177 45.290 45.100 0.023 0.000 0.641 84 G HN 0.209 8.509 8.290 0.016 0.000 0.527 85 I N -3.908 116.696 120.570 0.055 0.000 4.088 85 I HA 0.224 4.439 4.170 0.075 0.000 0.239 85 I C -1.200 174.955 176.117 0.064 0.000 1.479 85 I CA -1.135 60.214 61.300 0.082 0.000 0.897 85 I CB 0.658 38.746 38.000 0.146 0.000 1.709 85 I HN -0.682 7.498 8.210 0.051 0.061 0.750 86 I N 1.005 121.619 120.570 0.073 0.000 2.648 86 I HA -0.109 4.080 4.170 0.032 0.000 0.284 86 I C -0.013 176.146 176.117 0.070 0.000 1.153 86 I CA 0.409 61.739 61.300 0.051 0.000 1.426 86 I CB 0.225 38.242 38.000 0.028 0.000 1.381 86 I HN -0.191 8.079 8.210 0.099 0.000 0.571 87 R N 7.413 127.950 120.500 0.061 0.000 2.308 87 R HA 0.109 4.478 4.340 0.048 0.000 0.325 87 R C -0.735 175.625 176.300 0.100 0.000 1.161 87 R CA -0.492 55.641 56.100 0.055 0.000 1.022 87 R CB -1.414 28.899 30.300 0.022 0.000 1.091 87 R HN 0.218 8.516 8.270 0.047 0.000 0.497 88 H N 6.410 125.478 119.070 -0.005 0.000 3.361 88 H HA 0.048 4.601 4.556 -0.005 0.000 0.386 88 H C -0.685 174.641 175.328 -0.003 0.000 1.599 88 H CA 0.566 56.607 56.048 -0.012 0.000 1.641 88 H CB 1.749 31.487 29.762 -0.041 0.000 2.241 88 H HN -0.174 8.175 8.280 0.116 0.000 0.639 89 R N 4.490 125.016 120.500 0.045 0.000 2.185 89 R HA -0.346 4.039 4.340 0.075 0.000 0.247 89 R C 1.131 177.534 176.300 0.172 0.000 1.159 89 R CA 2.979 59.125 56.100 0.077 0.000 0.988 89 R CB -0.406 29.900 30.300 0.009 0.000 0.871 89 R HN 0.363 8.588 8.270 -0.075 0.000 0.458 90 G N -0.142 108.869 108.800 0.351 0.000 2.421 90 G HA2 -0.302 3.798 3.960 0.233 0.000 0.216 90 G HA3 -0.302 3.983 3.960 0.542 0.000 0.216 90 G C 1.158 176.174 174.900 0.194 0.000 1.171 90 G CA 1.797 47.115 45.100 0.364 0.000 0.775 90 G HN -0.181 8.281 8.290 0.339 0.032 0.543 91 K N 1.860 122.310 120.400 0.083 0.000 2.026 91 K HA -0.292 3.838 4.320 -0.317 0.000 0.208 91 K C 2.543 179.148 176.600 0.007 0.000 1.048 91 K CA 2.529 58.725 56.287 -0.152 0.000 0.929 91 K CB -0.447 31.908 32.500 -0.240 0.000 0.713 91 K HN -0.817 7.538 8.250 0.318 0.086 0.439 92 I N -0.450 120.178 120.570 0.097 0.000 2.208 92 I HA -0.627 3.679 4.170 0.226 0.000 0.245 92 I C 1.575 177.762 176.117 0.117 0.000 1.097 92 I CA 4.309 65.705 61.300 0.160 0.000 1.363 92 I CB -0.309 37.786 38.000 0.159 0.000 1.051 92 I HN -0.707 7.575 8.210 0.119 0.000 0.413 93 Q N -0.483 119.372 119.800 0.091 0.000 2.152 93 Q HA -0.452 3.918 4.340 0.051 0.000 0.206 93 Q C 2.147 178.183 176.000 0.060 0.000 0.985 93 Q CA 3.434 59.278 55.803 0.069 0.000 0.863 93 Q CB -0.088 28.695 28.738 0.076 0.000 0.904 93 Q HN 0.072 8.403 8.270 0.102 0.000 0.422 94 A N -1.474 121.388 122.820 0.071 0.000 1.933 94 A HA -0.335 4.005 4.320 0.032 0.000 0.218 94 A C 1.612 179.203 177.584 0.012 0.000 1.175 94 A CA 3.233 55.300 52.037 0.051 0.000 0.628 94 A CB -0.729 18.334 19.000 0.104 0.000 0.814 94 A HN -0.412 7.684 8.150 0.082 0.103 0.444 95 I N -0.821 119.772 120.570 0.039 0.000 2.163 95 I HA -0.362 3.809 4.170 0.002 0.000 0.243 95 I C 2.445 178.616 176.117 0.090 0.000 1.085 95 I CA 1.732 63.064 61.300 0.053 0.000 1.347 95 I CB -1.304 36.766 38.000 0.116 0.000 1.044 95 I HN -0.514 7.614 8.210 0.055 0.115 0.408 96 I N -0.333 120.288 120.570 0.084 0.000 2.208 96 I HA -0.365 3.860 4.170 0.092 0.000 0.245 96 I C 2.452 178.588 176.117 0.032 0.000 1.097 96 I CA 3.356 64.694 61.300 0.064 0.000 1.363 96 I CB -0.794 37.224 38.000 0.031 0.000 1.051 96 I HN -0.551 7.710 8.210 0.085 0.000 0.413 97 G N -1.812 106.974 108.800 -0.024 0.000 2.408 97 G HA2 -0.437 3.483 3.960 -0.066 0.000 0.217 97 G HA3 -0.437 3.424 3.960 -0.164 0.000 0.217 97 G C 0.900 175.696 174.900 -0.174 0.000 1.150 97 G CA 2.025 47.060 45.100 -0.108 0.000 0.776 97 G HN -0.337 7.863 8.290 -0.018 0.079 0.542 98 N N 2.568 121.182 118.700 -0.143 0.000 2.069 98 N HA -0.365 4.166 4.740 -0.348 0.000 0.191 98 N C 1.911 177.632 175.510 0.352 0.000 1.031 98 N CA 3.081 56.155 53.050 0.039 0.000 0.852 98 N CB -0.353 38.247 38.487 0.188 0.000 1.018 98 N HN 0.124 8.349 8.380 -0.089 0.102 0.423 99 A N -0.161 122.841 122.820 0.303 0.000 1.898 99 A HA -0.264 4.270 4.320 0.356 0.000 0.216 99 A C 2.161 179.875 177.584 0.216 0.000 1.181 99 A CA 3.109 55.325 52.037 0.298 0.000 0.620 99 A CB -0.680 18.451 19.000 0.219 0.000 0.819 99 A HN -0.153 8.130 8.150 0.221 0.000 0.442 100 R N -0.673 119.906 120.500 0.132 0.000 2.066 100 R HA -0.298 4.093 4.340 0.084 0.000 0.232 100 R C 2.162 178.524 176.300 0.103 0.000 1.131 100 R CA 3.160 59.312 56.100 0.086 0.000 0.955 100 R CB 0.079 30.401 30.300 0.037 0.000 0.851 100 R HN -0.316 7.949 8.270 0.103 0.067 0.432 101 A N -1.468 121.414 122.820 0.104 0.000 1.929 101 A HA -0.232 4.167 4.320 0.132 0.000 0.216 101 A C 1.516 179.298 177.584 0.330 0.000 1.176 101 A CA 2.864 55.008 52.037 0.178 0.000 0.628 101 A CB -0.317 18.729 19.000 0.076 0.000 0.816 101 A HN 0.683 8.736 8.150 0.042 0.122 0.444 102 Y N 0.340 120.801 120.300 0.268 0.000 2.184 102 Y HA -0.335 4.312 4.550 0.161 0.000 0.290 102 Y C 1.224 177.142 175.900 0.030 0.000 1.129 102 Y CA 3.661 61.841 58.100 0.133 0.000 1.144 102 Y CB 0.482 38.993 38.460 0.084 0.000 0.995 102 Y HN 0.319 8.776 8.280 0.492 0.119 0.513 103 L N -0.269 121.028 121.223 0.124 0.000 2.083 103 L HA -0.324 3.964 4.340 -0.086 0.000 0.209 103 L C 1.957 178.793 176.870 -0.057 0.000 1.083 103 L CA 2.925 57.763 54.840 -0.003 0.000 0.752 103 L CB -0.021 42.084 42.059 0.077 0.000 0.899 103 L HN 0.456 8.736 8.230 0.282 0.119 0.433 104 Q N -2.371 117.431 119.800 0.003 0.000 2.084 104 Q HA -0.416 3.923 4.340 -0.002 0.000 0.202 104 Q C 2.332 178.317 176.000 -0.025 0.000 0.978 104 Q CA 2.817 58.622 55.803 0.004 0.000 0.844 104 Q CB -0.219 28.543 28.738 0.040 0.000 0.898 104 Q HN -0.457 7.835 8.270 0.054 0.010 0.426 105 M N -0.782 118.803 119.600 -0.026 0.000 2.132 105 M HA -0.271 4.195 4.480 -0.024 0.000 0.263 105 M C 2.222 178.460 176.300 -0.102 0.000 1.065 105 M CA 3.259 58.541 55.300 -0.030 0.000 1.122 105 M CB 0.173 32.831 32.600 0.096 0.000 1.365 105 M HN -0.665 7.626 8.290 0.001 0.000 0.411 106 E N 0.312 120.379 120.200 -0.222 0.000 2.204 106 E HA -0.302 3.962 4.350 -0.145 0.000 0.194 106 E C 2.335 178.874 176.600 -0.102 0.000 0.989 106 E CA 2.389 58.669 56.400 -0.200 0.000 0.824 106 E CB -0.247 29.256 29.700 -0.328 0.000 0.756 106 E HN -0.111 8.044 8.360 -0.341 0.000 0.477 107 Q N 0.046 119.796 119.800 -0.083 0.000 2.308 107 Q HA -0.267 4.051 4.340 -0.038 0.000 0.209 107 Q C 1.495 177.471 176.000 -0.041 0.000 0.985 107 Q CA 2.500 58.275 55.803 -0.046 0.000 0.881 107 Q CB -0.397 28.322 28.738 -0.031 0.000 0.917 107 Q HN 0.035 8.115 8.270 -0.095 0.133 0.443 108 N N -3.066 115.603 118.700 -0.052 0.000 2.457 108 N HA -0.089 4.626 4.740 -0.041 0.000 0.180 108 N C 0.631 176.115 175.510 -0.043 0.000 1.050 108 N CA 0.338 53.358 53.050 -0.050 0.000 0.906 108 N CB 0.465 38.912 38.487 -0.068 0.000 0.968 108 N HN -0.556 7.633 8.380 -0.063 0.153 0.445 109 G N -1.516 107.260 108.800 -0.040 0.000 2.157 109 G HA2 -0.374 3.576 3.960 -0.018 0.000 0.248 109 G HA3 -0.374 3.574 3.960 -0.020 0.000 0.248 109 G C -1.108 173.780 174.900 -0.020 0.000 0.979 109 G CA 0.151 45.237 45.100 -0.024 0.000 0.650 109 G HN 0.303 8.372 8.290 -0.049 0.192 0.529 110 E N 0.265 120.444 120.200 -0.036 0.000 2.283 110 E HA 0.280 4.618 4.350 -0.021 0.000 0.271 110 E C -2.066 174.538 176.600 0.007 0.000 1.031 110 E CA -3.375 53.006 56.400 -0.033 0.000 0.868 110 E CB 0.566 30.215 29.700 -0.086 0.000 1.094 110 E HN -0.299 7.975 8.360 -0.051 0.055 0.401 111 P HA 0.092 4.594 4.420 0.136 0.000 0.270 111 P C -0.769 176.623 177.300 0.153 0.000 1.242 111 P CA -0.255 62.913 63.100 0.113 0.000 0.768 111 P CB 0.511 32.282 31.700 0.118 0.000 0.820 112 F N 8.087 128.084 119.950 0.079 0.000 2.163 112 F HA -0.321 4.261 4.527 0.091 0.000 0.297 112 F C 0.524 176.461 175.800 0.228 0.000 1.094 112 F CA 3.318 61.395 58.000 0.128 0.000 1.290 112 F CB 0.593 39.667 39.000 0.123 0.000 1.017 112 F HN 0.321 8.825 8.300 0.340 0.000 0.483 113 A N -0.359 122.780 122.820 0.531 0.000 1.883 113 A HA -0.418 4.211 4.320 0.516 0.000 0.217 113 A C 1.283 179.094 177.584 0.379 0.000 1.186 113 A CA 3.197 55.513 52.037 0.466 0.000 0.624 113 A CB -0.876 18.386 19.000 0.437 0.000 0.822 113 A HN 0.300 8.787 8.150 0.561 0.000 0.444 114 D N -1.046 119.535 120.400 0.303 0.000 2.123 114 D HA -0.312 4.562 4.640 0.390 0.000 0.196 114 D C 1.901 178.016 176.300 -0.307 0.000 0.992 114 D CA 3.329 57.401 54.000 0.120 0.000 0.833 114 D CB -0.637 40.239 40.800 0.127 0.000 0.954 114 D HN 0.128 8.672 8.370 0.290 0.000 0.455 115 F N 0.523 120.274 119.950 -0.331 0.000 2.075 115 F HA -0.323 3.871 4.527 -0.554 0.000 0.297 115 F C 1.422 176.975 175.800 -0.412 0.000 1.113 115 F CA 2.964 60.684 58.000 -0.467 0.000 1.218 115 F CB 0.218 38.961 39.000 -0.428 0.000 0.984 115 F HN -0.899 7.428 8.300 0.046 0.000 0.472 116 V N -4.357 115.308 119.914 -0.415 0.000 2.287 116 V HA -0.496 3.428 4.120 -0.326 0.000 0.248 116 V C 1.488 177.587 176.094 0.007 0.000 1.053 116 V CA 3.311 65.442 62.300 -0.282 0.000 1.027 116 V CB -0.276 31.375 31.823 -0.286 0.000 0.646 116 V HN -0.581 7.433 8.190 -0.294 0.000 0.447 117 W N -2.134 119.205 121.300 0.064 0.000 2.640 117 W HA 0.008 4.821 4.660 0.255 0.000 0.268 117 W C 1.447 177.947 176.519 -0.033 0.000 1.263 117 W CA 0.306 57.739 57.345 0.146 0.000 1.344 117 W CB -0.024 29.544 29.460 0.180 0.000 1.093 117 W HN -0.494 7.787 8.180 0.169 0.000 0.603 118 S N 2.691 117.435 115.700 -1.593 0.000 2.440 118 S HA -0.317 2.573 4.470 -2.633 0.000 0.238 118 S C 1.732 175.767 174.600 -0.942 0.000 1.010 118 S CA 3.298 60.424 58.200 -1.790 0.000 0.972 118 S CB -0.919 61.429 63.200 -1.420 0.000 0.774 118 S HN 0.243 7.547 8.310 -1.504 0.103 0.501 119 F N 0.472 120.013 119.950 -0.681 0.000 2.304 119 F HA -0.290 3.952 4.527 -0.476 0.000 0.301 119 F C 0.895 176.513 175.800 -0.304 0.000 1.052 119 F CA 2.960 60.681 58.000 -0.466 0.000 1.389 119 F CB -0.098 38.665 39.000 -0.395 0.000 1.081 119 F HN -0.645 7.271 8.300 -0.579 0.037 0.538 120 V N -8.302 111.560 119.914 -0.087 0.000 3.544 120 V HA -0.095 4.048 4.120 0.039 0.000 0.304 120 V C 0.228 176.279 176.094 -0.072 0.000 1.256 120 V CA -0.563 61.736 62.300 -0.001 0.000 1.232 120 V CB -1.197 30.697 31.823 0.118 0.000 1.065 120 V HN -0.566 7.456 8.190 -0.161 0.071 0.423 121 N N 1.567 120.124 118.700 -0.239 0.000 2.735 121 N HA -0.403 4.170 4.740 -0.279 0.000 0.248 121 N C -0.934 174.537 175.510 -0.065 0.000 1.083 121 N CA 1.153 54.098 53.050 -0.176 0.000 0.703 121 N CB -1.421 37.078 38.487 0.020 0.000 1.005 121 N HN 0.325 8.386 8.380 -0.325 0.123 0.550 122 H N -9.597 109.423 119.070 -0.084 0.000 3.047 122 H HA -0.446 4.224 4.556 0.191 0.000 0.263 122 H C -1.280 174.188 175.328 0.233 0.000 1.168 122 H CA 1.670 57.786 56.048 0.112 0.000 1.152 122 H CB -1.957 27.842 29.762 0.062 0.000 1.278 122 H HN -0.346 7.425 8.280 -0.829 0.012 0.339 123 Q N 1.075 121.018 119.800 0.238 0.000 2.322 123 Q HA 0.317 4.760 4.340 0.171 0.000 0.265 123 Q C -2.403 173.694 176.000 0.162 0.000 0.985 123 Q CA -2.511 53.397 55.803 0.176 0.000 0.849 123 Q CB 1.403 30.208 28.738 0.112 0.000 1.274 123 Q HN -0.483 7.669 8.270 0.141 0.202 0.449 124 P HA 0.088 4.535 4.420 0.044 0.000 0.275 124 P C -1.330 175.986 177.300 0.026 0.000 1.228 124 P CA -0.243 62.880 63.100 0.039 0.000 0.786 124 P CB 2.014 33.701 31.700 -0.023 0.000 0.927 125 Q N 0.919 120.720 119.800 0.001 0.000 2.230 125 Q HA 0.252 4.613 4.340 0.035 0.000 0.253 125 Q C -1.027 174.974 176.000 0.002 0.000 0.919 125 Q CA -1.013 54.799 55.803 0.015 0.000 0.908 125 Q CB 2.368 31.118 28.738 0.019 0.000 1.245 125 Q HN 0.418 8.575 8.270 -0.028 0.096 0.437 126 M N 1.511 121.130 119.600 0.033 0.000 2.393 126 M HA 0.182 4.671 4.480 0.015 0.000 0.299 126 M C -1.374 174.974 176.300 0.079 0.000 1.103 126 M CA -0.690 54.636 55.300 0.042 0.000 0.910 126 M CB 2.889 35.524 32.600 0.059 0.000 1.659 126 M HN 0.144 8.463 8.290 0.048 0.000 0.445 127 T N 4.439 119.041 114.554 0.081 0.000 2.899 127 T HA 0.090 4.510 4.350 0.117 0.000 0.284 127 T C -1.099 173.703 174.700 0.172 0.000 1.004 127 T CA -0.046 62.122 62.100 0.114 0.000 1.043 127 T CB 1.233 70.159 68.868 0.097 0.000 1.013 127 T HN -0.034 8.236 8.240 0.049 0.000 0.518 128 Q N 3.615 123.512 119.800 0.162 0.000 2.507 128 Q HA 0.126 4.641 4.340 0.291 0.000 0.317 128 Q C -1.553 174.525 176.000 0.131 0.000 0.798 128 Q CA -0.551 55.363 55.803 0.185 0.000 1.063 128 Q CB -0.085 28.732 28.738 0.132 0.000 1.410 128 Q HN 0.249 8.597 8.270 0.131 0.000 0.386 129 A N 0.727 123.626 122.820 0.132 0.000 3.068 129 A HA 0.366 4.734 4.320 0.079 -0.000 0.229 129 A C -1.370 176.272 177.584 0.097 0.000 1.561 129 A CA -0.762 51.334 52.037 0.098 0.000 0.876 129 A CB 2.421 21.477 19.000 0.094 0.000 1.700 129 A HN -0.143 8.097 8.150 0.149 0.000 0.535 130 T N -3.280 111.322 114.554 0.080 0.000 3.313 130 T HA 0.212 4.610 4.350 0.081 0.000 0.266 130 T C -0.137 174.606 174.700 0.072 0.000 0.987 130 T CA 0.633 62.776 62.100 0.072 0.000 1.086 130 T CB 2.454 71.352 68.868 0.050 0.000 1.159 130 T HN 0.423 9.180 8.240 0.073 -0.473 0.450 131 T N 3.604 118.197 114.554 0.065 0.000 2.927 131 T HA 0.170 4.558 4.350 0.063 0.000 0.281 131 T C 0.452 175.204 174.700 0.086 0.000 0.998 131 T CA -1.062 61.076 62.100 0.063 0.000 1.019 131 T CB 2.179 71.072 68.868 0.041 0.000 1.061 131 T HN -0.108 8.678 8.240 0.058 -0.511 0.518 132 L N 0.859 122.137 121.223 0.092 0.000 2.478 132 L HA -0.023 4.441 4.340 0.206 0.000 0.223 132 L C 1.053 177.956 176.870 0.054 0.000 1.140 132 L CA 1.863 56.777 54.840 0.123 0.000 0.842 132 L CB -0.155 41.959 42.059 0.093 0.000 0.953 132 L HN 0.275 8.549 8.230 0.073 0.000 0.452 133 S N -0.371 115.348 115.700 0.032 0.000 2.421 133 S HA -0.083 4.384 4.470 -0.005 0.000 0.224 133 S C 0.626 175.236 174.600 0.018 0.000 1.035 133 S CA 1.765 59.972 58.200 0.011 0.000 0.953 133 S CB 0.251 63.454 63.200 0.005 0.000 0.810 133 S HN -0.278 7.993 8.310 0.036 0.061 0.497 134 E N -1.168 119.050 120.200 0.030 0.000 2.409 134 E HA -0.163 4.196 4.350 0.016 0.000 0.198 134 E C 0.168 176.789 176.600 0.034 0.000 1.024 134 E CA 0.612 57.028 56.400 0.028 0.000 0.861 134 E CB -0.389 29.331 29.700 0.033 0.000 0.788 134 E HN -0.078 8.304 8.360 0.037 0.000 0.521 135 I N 3.493 124.096 120.570 0.056 0.000 2.581 135 I HA -0.010 4.207 4.170 0.078 0.000 0.285 135 I C -1.654 174.471 176.117 0.013 0.000 1.129 135 I CA -1.643 59.702 61.300 0.075 0.000 1.397 135 I CB -0.134 37.959 38.000 0.156 0.000 1.399 135 I HN -0.683 7.507 8.210 0.065 0.059 0.537 136 P HA 0.259 4.610 4.420 -0.115 0.000 0.286 136 P C -0.588 176.499 177.300 -0.355 0.000 1.269 136 P CA -0.782 62.243 63.100 -0.126 0.000 0.787 136 P CB 1.165 32.816 31.700 -0.082 0.000 0.920 137 T N 1.105 115.352 114.554 -0.513 0.000 3.065 137 T HA -0.117 2.649 4.350 -2.640 0.000 0.252 137 T C -0.042 174.135 174.700 -0.872 0.000 1.099 137 T CA -0.333 61.019 62.100 -1.246 0.000 1.063 137 T CB 0.053 68.531 68.868 -0.649 0.000 0.948 137 T HN 0.088 8.139 8.240 -0.315 0.000 0.506 138 S N 2.738 118.202 115.700 -0.395 0.000 2.473 138 S HA 0.182 4.560 4.470 -0.154 0.000 0.312 138 S C -0.339 174.189 174.600 -0.120 0.000 1.087 138 S CA -1.016 57.071 58.200 -0.189 0.000 1.077 138 S CB -0.051 63.083 63.200 -0.110 0.000 1.065 138 S HN -0.473 7.600 8.310 -0.318 0.046 0.510 139 T N 5.798 120.321 114.554 -0.052 0.000 2.918 139 T HA 0.561 4.912 4.350 0.001 0.000 0.286 139 T C -1.171 173.541 174.700 0.019 0.000 1.026 139 T CA -3.574 58.538 62.100 0.020 0.000 1.031 139 T CB 0.510 69.450 68.868 0.119 0.000 1.046 139 T HN -0.455 7.770 8.240 -0.025 0.000 0.479 140 P HA -0.358 4.057 4.420 -0.008 0.000 0.216 140 P C 0.907 178.201 177.300 -0.009 0.000 1.154 140 P CA 2.524 65.626 63.100 0.002 0.000 0.865 140 P CB -0.226 31.482 31.700 0.012 0.000 0.789 141 A N -5.244 117.583 122.820 0.011 0.000 1.930 141 A HA -0.254 4.043 4.320 -0.039 0.000 0.217 141 A C 1.764 179.318 177.584 -0.051 0.000 1.175 141 A CA 2.682 54.712 52.037 -0.013 0.000 0.627 141 A CB -1.124 17.899 19.000 0.039 0.000 0.815 141 A HN 0.272 8.431 8.150 0.035 0.013 0.443 142 S N -0.851 114.859 115.700 0.016 0.000 2.368 142 S HA -0.326 4.170 4.470 0.043 0.000 0.225 142 S C 1.791 176.363 174.600 -0.048 0.000 1.030 142 S CA 3.416 61.633 58.200 0.029 0.000 0.999 142 S CB -0.588 62.676 63.200 0.106 0.000 0.844 142 S HN -0.637 7.610 8.310 0.053 0.095 0.459 143 D N 1.180 121.548 120.400 -0.053 0.000 2.117 143 D HA -0.249 4.359 4.640 -0.054 0.000 0.197 143 D C 1.793 178.013 176.300 -0.135 0.000 0.987 143 D CA 3.091 57.049 54.000 -0.071 0.000 0.829 143 D CB -0.160 40.611 40.800 -0.049 0.000 0.961 143 D HN -0.376 7.975 8.370 -0.033 0.000 0.460 144 A N -0.652 122.051 122.820 -0.195 0.000 1.897 144 A HA -0.174 4.007 4.320 -0.233 0.000 0.215 144 A C 2.143 179.349 177.584 -0.631 0.000 1.181 144 A CA 2.897 54.730 52.037 -0.339 0.000 0.620 144 A CB -0.447 18.358 19.000 -0.325 0.000 0.821 144 A HN -0.698 7.359 8.150 -0.155 0.000 0.443 145 L N -1.043 119.782 121.223 -0.663 0.000 2.017 145 L HA -0.372 3.176 4.340 -1.321 0.000 0.208 145 L C 1.599 178.257 176.870 -0.352 0.000 1.073 145 L CA 2.942 57.356 54.840 -0.710 0.000 0.745 145 L CB -0.500 41.361 42.059 -0.330 0.000 0.894 145 L HN 0.398 8.244 8.230 -0.456 0.111 0.432 146 S N -0.266 115.320 115.700 -0.191 0.000 2.374 146 S HA -0.435 4.001 4.470 -0.057 0.000 0.227 146 S C 1.919 176.471 174.600 -0.079 0.000 1.037 146 S CA 4.286 62.434 58.200 -0.087 0.000 1.024 146 S CB -0.338 62.838 63.200 -0.041 0.000 0.861 146 S HN 0.281 8.377 8.310 -0.171 0.111 0.456 147 K N 1.322 121.655 120.400 -0.112 0.000 2.097 147 K HA -0.334 3.972 4.320 -0.024 0.000 0.206 147 K C 1.796 178.381 176.600 -0.024 0.000 1.049 147 K CA 2.926 59.177 56.287 -0.060 0.000 0.933 147 K CB -0.025 32.433 32.500 -0.070 0.000 0.717 147 K HN -0.712 7.442 8.250 -0.156 0.003 0.442 148 A N -0.796 121.975 122.820 -0.080 0.000 1.873 148 A HA -0.210 4.209 4.320 0.166 0.000 0.215 148 A C 2.344 180.002 177.584 0.123 0.000 1.186 148 A CA 2.961 55.050 52.037 0.087 0.000 0.616 148 A CB -0.744 18.341 19.000 0.141 0.000 0.823 148 A HN -0.497 7.405 8.150 -0.237 0.106 0.442 149 L N -3.285 117.966 121.223 0.046 0.000 2.131 149 L HA -0.512 3.886 4.340 0.098 0.000 0.210 149 L C 2.438 179.414 176.870 0.175 0.000 1.092 149 L CA 2.698 57.583 54.840 0.075 0.000 0.759 149 L CB -0.642 41.397 42.059 -0.033 0.000 0.903 149 L HN -0.062 8.142 8.230 -0.043 0.000 0.435 150 K N -2.293 118.177 120.400 0.116 0.000 2.097 150 K HA -0.328 4.078 4.320 0.144 0.000 0.206 150 K C 2.061 178.740 176.600 0.132 0.000 1.049 150 K CA 2.893 59.251 56.287 0.119 0.000 0.933 150 K CB -0.277 32.259 32.500 0.060 0.000 0.717 150 K HN -0.118 8.074 8.250 0.062 0.095 0.442 151 K N -2.059 118.417 120.400 0.128 0.000 2.097 151 K HA -0.212 4.163 4.320 0.092 0.000 0.206 151 K C 2.094 178.786 176.600 0.154 0.000 1.049 151 K CA 2.205 58.564 56.287 0.120 0.000 0.933 151 K CB -0.474 32.096 32.500 0.117 0.000 0.717 151 K HN -0.630 7.581 8.250 0.119 0.111 0.442 152 R N -4.412 116.230 120.500 0.235 0.000 2.189 152 R HA -0.146 4.331 4.340 0.230 0.000 0.223 152 R C 0.225 176.682 176.300 0.263 0.000 1.092 152 R CA 0.055 56.342 56.100 0.313 0.000 0.989 152 R CB 0.051 30.677 30.300 0.542 0.000 0.876 152 R HN -0.633 7.681 8.270 0.249 0.105 0.457 153 G N -2.661 106.281 108.800 0.236 0.000 2.270 153 G HA2 -0.294 3.770 3.960 0.088 0.000 0.224 153 G HA3 -0.294 3.690 3.960 0.040 0.000 0.224 153 G C -0.460 174.466 174.900 0.044 0.000 1.079 153 G CA -0.323 44.838 45.100 0.102 0.000 0.807 153 G HN -0.464 7.811 8.290 0.259 0.170 0.492 154 F N 1.189 121.183 119.950 0.073 0.000 2.410 154 F HA 0.122 4.704 4.527 0.091 0.000 0.349 154 F C -0.294 175.536 175.800 0.050 0.000 1.117 154 F CA -0.226 57.822 58.000 0.081 0.000 1.104 154 F CB 1.179 40.239 39.000 0.100 0.000 1.122 154 F HN -0.801 7.758 8.300 0.431 0.000 0.483 155 K N 3.646 124.140 120.400 0.156 0.000 2.109 155 K HA 0.020 4.309 4.320 -0.052 0.000 0.243 155 K C -0.613 176.094 176.600 0.178 0.000 1.006 155 K CA -1.207 55.102 56.287 0.037 0.000 0.917 155 K CB 0.607 33.082 32.500 -0.042 0.000 1.081 155 K HN 0.293 8.602 8.250 0.099 0.000 0.468 156 F N -4.634 115.349 119.950 0.055 0.000 3.027 156 F HA -0.281 4.263 4.527 0.028 0.000 0.276 156 F C -0.565 175.274 175.800 0.065 0.000 0.967 156 F CA 0.187 58.211 58.000 0.040 0.000 0.929 156 F CB -1.964 37.043 39.000 0.011 0.000 0.873 156 F HN 0.326 8.252 8.300 -0.623 0.000 0.787 157 V N -1.162 118.847 119.914 0.158 0.000 2.988 157 V HA 0.204 4.411 4.120 0.146 0.000 0.356 157 V C -0.494 175.655 176.094 0.090 0.000 1.380 157 V CA -1.736 60.644 62.300 0.134 0.000 1.184 157 V CB 0.815 32.719 31.823 0.134 0.000 1.204 157 V HN -0.184 8.052 8.190 0.076 0.000 0.530 158 G N -0.795 108.056 108.800 0.085 0.000 2.825 158 G HA2 -0.251 3.731 3.960 0.037 0.000 0.241 158 G HA3 -0.251 3.747 3.960 0.064 0.000 0.241 158 G C 0.215 175.160 174.900 0.076 0.000 1.239 158 G CA 0.871 46.009 45.100 0.062 0.000 0.859 158 G HN -0.310 7.975 8.290 0.100 0.065 0.598 159 T N 0.152 114.740 114.554 0.057 0.000 2.849 159 T HA -0.230 4.166 4.350 0.077 0.000 0.270 159 T C 2.023 176.799 174.700 0.126 0.000 1.066 159 T CA 3.305 65.448 62.100 0.072 0.000 1.130 159 T CB 0.050 68.935 68.868 0.028 0.000 0.864 159 T HN 0.230 8.492 8.240 0.037 0.000 0.481 160 T N 3.093 117.714 114.554 0.112 0.000 2.684 160 T HA -0.273 4.174 4.350 0.162 0.000 0.267 160 T C 2.002 176.828 174.700 0.210 0.000 1.036 160 T CA 5.393 67.587 62.100 0.156 0.000 1.148 160 T CB -0.467 68.476 68.868 0.126 0.000 0.863 160 T HN 0.002 8.267 8.240 0.084 0.026 0.436 161 I N 2.194 122.870 120.570 0.177 0.000 2.179 161 I HA -0.329 3.950 4.170 0.182 0.000 0.242 161 I C 1.727 177.978 176.117 0.223 0.000 1.088 161 I CA 2.813 64.221 61.300 0.180 0.000 1.357 161 I CB -0.475 37.614 38.000 0.148 0.000 1.051 161 I HN -0.638 7.662 8.210 0.151 0.000 0.409 162 C N -0.860 118.573 119.300 0.220 0.000 2.429 162 C HA -0.483 4.198 4.460 0.369 0.000 0.277 162 C C 1.655 176.857 174.990 0.353 0.000 1.262 162 C CA 5.983 65.188 59.018 0.311 0.000 1.733 162 C CB -0.599 27.267 27.740 0.209 0.000 2.010 162 C HN -0.485 7.851 8.230 0.175 0.000 0.483 163 Y N 1.577 121.960 120.300 0.137 0.000 2.181 163 Y HA -0.410 4.165 4.550 0.043 0.000 0.288 163 Y C 1.214 177.157 175.900 0.072 0.000 1.146 163 Y CA 3.035 61.181 58.100 0.077 0.000 1.164 163 Y CB 0.005 38.503 38.460 0.064 0.000 0.982 163 Y HN 0.495 8.878 8.280 0.352 0.109 0.515 164 S N 0.390 116.191 115.700 0.168 0.000 2.382 164 S HA -0.332 4.351 4.470 0.059 -0.178 0.228 164 S C 1.968 176.603 174.600 0.060 0.000 1.027 164 S CA 2.789 61.053 58.200 0.107 0.000 0.991 164 S CB -0.705 62.611 63.200 0.193 0.000 0.823 164 S HN -0.011 8.467 8.310 0.281 0.000 0.469 165 F N 4.393 124.349 119.950 0.011 0.000 2.146 165 F HA -0.001 4.675 4.527 0.004 -0.147 0.298 165 F C 1.064 176.828 175.800 -0.061 0.000 1.096 165 F CA 2.014 60.010 58.000 -0.007 0.000 1.275 165 F CB -0.181 38.826 39.000 0.011 0.000 1.008 165 F HN -0.322 8.029 8.300 0.300 0.130 0.480 166 M N -0.601 118.326 119.600 -1.122 0.000 2.159 166 M HA -0.592 2.847 4.480 -1.734 0.000 0.263 166 M C 2.254 178.116 176.300 -0.730 0.000 1.063 166 M CA 4.180 58.781 55.300 -1.165 0.000 1.110 166 M CB -0.433 31.784 32.600 -0.638 0.000 1.374 166 M HN 0.077 8.069 8.290 -0.496 0.000 0.411 167 Q N -1.453 118.014 119.800 -0.555 0.000 2.050 167 Q HA -0.351 3.729 4.340 -0.433 0.000 0.202 167 Q C 2.689 178.396 176.000 -0.489 0.000 0.980 167 Q CA 2.916 58.480 55.803 -0.399 0.000 0.840 167 Q CB -0.036 28.628 28.738 -0.123 0.000 0.898 167 Q HN -0.345 7.600 8.270 -0.529 0.008 0.424 168 A N -1.484 121.138 122.820 -0.329 0.000 1.929 168 A HA -0.156 3.828 4.320 -0.559 0.000 0.216 168 A C 1.865 179.189 177.584 -0.435 0.000 1.176 168 A CA 2.702 54.537 52.037 -0.337 0.000 0.628 168 A CB -0.556 18.452 19.000 0.013 0.000 0.816 168 A HN -0.517 7.504 8.150 -0.216 0.000 0.444 169 C N -3.947 115.098 119.300 -0.425 0.000 2.430 169 C HA -0.273 4.057 4.460 -0.217 0.000 0.288 169 C C 0.597 175.307 174.990 -0.467 0.000 1.448 169 C CA 1.378 60.173 59.018 -0.371 0.000 1.784 169 C CB -0.812 26.664 27.740 -0.440 0.000 1.776 169 C HN 0.027 7.850 8.230 -0.503 0.106 0.547 170 G N -0.899 107.550 108.800 -0.585 0.000 2.175 170 G HA2 -0.367 3.148 3.960 -0.742 0.000 0.244 170 G HA3 -0.367 3.285 3.960 -0.514 0.000 0.244 170 G C 0.433 175.064 174.900 -0.448 0.000 0.982 170 G CA 1.193 45.945 45.100 -0.580 0.000 0.641 170 G HN -0.633 7.083 8.290 -0.642 0.188 0.527 171 L N -0.550 120.413 121.223 -0.433 0.000 2.083 171 L HA -0.108 4.085 4.340 -0.244 0.000 0.209 171 L C -0.321 176.406 176.870 -0.239 0.000 1.083 171 L CA 2.731 57.395 54.840 -0.294 0.000 0.752 171 L CB 0.707 42.605 42.059 -0.267 0.000 0.899 171 L HN -0.397 7.458 8.230 -0.507 0.071 0.433 172 V N -3.811 115.921 119.914 -0.304 0.000 2.435 172 V HA 0.133 4.370 4.120 -0.127 -0.193 0.290 172 V C -0.938 175.041 176.094 -0.192 0.000 1.030 172 V CA -1.646 60.527 62.300 -0.212 0.000 0.881 172 V CB 0.869 32.530 31.823 -0.270 0.000 0.983 172 V HN -0.831 7.115 8.190 -0.406 0.000 0.445 173 N N 7.270 125.920 118.700 -0.083 0.000 2.426 173 N HA 0.037 4.776 4.740 -0.001 0.000 0.257 173 N C -1.398 174.138 175.510 0.042 0.000 1.002 173 N CA -1.283 51.785 53.050 0.031 0.000 0.942 173 N CB 1.128 39.654 38.487 0.066 0.000 1.112 173 N HN -0.135 8.212 8.380 -0.054 0.000 0.499 174 D N 4.724 125.067 120.400 -0.095 0.000 2.380 174 D HA 0.118 4.589 4.640 -0.283 0.000 0.230 174 D C -1.450 174.317 176.300 -0.889 0.000 1.154 174 D CA 0.098 53.820 54.000 -0.463 0.000 0.859 174 D CB 0.111 40.396 40.800 -0.859 0.000 1.045 174 D HN 0.274 8.733 8.370 0.149 0.000 0.495 175 H N 2.182 121.009 119.070 -0.404 0.000 2.974 175 H HA 0.139 4.466 4.556 -0.383 0.000 0.366 175 H C -1.439 173.786 175.328 -0.171 0.000 1.155 175 H CA -0.871 54.900 56.048 -0.462 0.000 1.186 175 H CB 3.895 33.000 29.762 -1.095 0.000 1.799 175 H HN -0.224 7.925 8.280 -0.219 0.000 0.541 176 V N 1.555 121.525 119.914 0.094 0.000 2.481 176 V HA 0.071 4.290 4.120 0.164 0.000 0.286 176 V C -1.840 174.451 176.094 0.328 0.000 1.042 176 V CA -0.987 61.420 62.300 0.178 0.000 0.928 176 V CB 1.451 33.326 31.823 0.087 0.000 0.986 176 V HN 0.230 8.445 8.190 0.042 0.000 0.462 177 V N 4.706 124.775 119.914 0.260 0.000 2.555 177 V HA -0.097 4.330 4.120 0.090 -0.252 0.286 177 V C 1.354 177.486 176.094 0.063 0.000 1.044 177 V CA -0.143 62.232 62.300 0.125 0.000 1.026 177 V CB 0.439 32.288 31.823 0.044 0.000 0.981 177 V HN -0.296 8.019 8.190 0.209 0.000 0.480 178 G N 7.759 116.571 108.800 0.020 0.000 2.498 178 G HA2 -0.341 3.614 3.960 -0.008 0.000 0.229 178 G HA3 -0.341 3.628 3.960 0.015 0.000 0.229 178 G C -0.307 174.615 174.900 0.037 0.000 1.156 178 G CA 0.760 45.869 45.100 0.014 0.000 0.680 178 G HN 0.344 8.621 8.290 -0.023 0.000 0.512 179 C N 1.701 121.038 119.300 0.063 0.000 2.328 179 C HA 0.133 4.711 4.460 0.038 -0.095 0.378 179 C C 0.064 175.103 174.990 0.081 0.000 1.249 179 C CA -0.748 58.304 59.018 0.056 0.000 2.204 179 C CB 2.334 30.101 27.740 0.044 0.000 2.218 179 C HN -0.509 7.666 8.230 0.081 0.104 0.564 180 C N -2.590 116.741 119.300 0.052 0.000 4.238 180 C HA -0.397 4.139 4.460 0.027 -0.060 0.287 180 C C -0.954 174.096 174.990 0.099 0.000 1.546 180 C CA 1.815 60.869 59.018 0.059 0.000 1.989 180 C CB -1.513 26.263 27.740 0.059 0.000 1.527 180 C HN 0.621 8.870 8.230 0.030 -0.001 0.764 181 C N -4.123 115.229 119.300 0.088 0.000 4.354 181 C HA -0.419 4.069 4.460 0.046 0.000 0.307 181 C C -1.364 173.706 174.990 0.133 0.000 1.318 181 C CA 1.318 60.382 59.018 0.076 0.000 2.060 181 C CB -2.892 24.881 27.740 0.055 0.000 1.283 181 C HN 0.177 8.335 8.230 0.070 0.114 0.723 182 Y N 2.229 122.532 120.300 0.006 0.000 2.863 182 Y HA 0.405 4.930 4.550 -0.041 0.000 0.348 182 Y C -2.091 173.801 175.900 -0.014 0.000 1.028 182 Y CA -2.923 55.170 58.100 -0.012 0.000 1.213 182 Y CB 1.800 40.275 38.460 0.025 0.000 1.120 182 Y HN -0.581 7.804 8.280 0.175 0.000 0.598 183 P HA 0.138 4.355 4.420 -0.339 0.000 0.249 183 P C -0.469 176.516 177.300 -0.525 0.000 1.593 183 P CA -0.386 62.481 63.100 -0.387 0.000 0.896 183 P CB -0.569 31.022 31.700 -0.183 0.000 1.581 184 G N -0.526 107.649 108.800 -1.042 0.000 2.160 184 G HA2 -0.446 3.072 3.960 -0.737 0.000 0.251 184 G HA3 -0.446 3.272 3.960 -0.404 0.000 0.251 184 G C -1.252 173.500 174.900 -0.248 0.000 1.008 184 G CA 0.142 44.865 45.100 -0.628 0.000 0.724 184 G HN 0.105 7.099 8.290 -1.976 0.110 0.514 185 N N -3.473 115.105 118.700 -0.203 0.000 2.721 185 N HA -0.354 4.353 4.740 -0.054 0.000 0.249 185 N C -0.982 174.485 175.510 -0.071 0.000 1.072 185 N CA 1.036 54.043 53.050 -0.071 0.000 0.710 185 N CB -1.886 36.595 38.487 -0.010 0.000 0.993 185 N HN 0.354 8.515 8.380 -0.302 0.038 0.547 186 K N -1.623 118.720 120.400 -0.096 0.000 2.185 186 K HA 0.300 4.586 4.320 -0.056 0.000 0.271 186 K C -1.351 175.219 176.600 -0.050 0.000 1.013 186 K CA -1.682 54.564 56.287 -0.069 0.000 0.943 186 K CB 0.041 32.493 32.500 -0.080 0.000 0.998 186 K HN -0.835 7.327 8.250 -0.134 0.008 0.468 187 P HA 0.000 4.406 4.420 -0.024 0.000 0.216 187 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 187 P CB 0.000 31.686 31.700 -0.023 0.000 0.726