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 1nku_17_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 4.500 4.480 0.033 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 E N 4.677 124.900 120.200 0.038 0.000 2.227 2 E HA 0.302 4.666 4.350 0.022 0.000 0.268 2 E C -1.347 175.285 176.600 0.053 0.000 0.990 2 E CA -1.014 55.410 56.400 0.041 0.000 0.856 2 E CB 1.922 31.653 29.700 0.052 0.000 1.159 2 E HN -0.076 8.315 8.360 0.052 0.000 0.401 3 R N -0.289 120.233 120.500 0.036 0.000 2.832 3 R HA 0.381 4.736 4.340 0.025 0.000 0.271 3 R C -0.454 175.915 176.300 0.116 0.000 0.996 3 R CA -1.494 54.620 56.100 0.024 0.000 0.977 3 R CB 3.099 33.353 30.300 -0.077 0.000 1.168 3 R HN 0.104 8.390 8.270 0.027 0.000 0.482 4 C N -1.183 118.251 119.300 0.223 0.000 2.520 4 C HA 0.207 4.800 4.460 0.222 0.000 0.376 4 C C 1.947 177.025 174.990 0.146 0.000 1.268 4 C CA -2.142 57.038 59.018 0.270 0.000 2.414 4 C CB 1.348 29.388 27.740 0.501 0.000 2.521 4 C HN 0.326 8.718 8.230 0.270 0.000 0.618 5 G N -0.439 108.378 108.800 0.029 0.000 2.479 5 G HA2 -0.359 3.560 3.960 -0.068 0.000 0.220 5 G HA3 -0.359 3.486 3.960 -0.190 0.000 0.220 5 G C -0.309 174.510 174.900 -0.134 0.000 1.115 5 G CA 1.719 46.756 45.100 -0.106 0.000 0.757 5 G HN 0.511 8.821 8.290 0.034 0.000 0.560 6 W N -0.837 120.474 121.300 0.017 0.000 2.325 6 W HA -0.193 4.422 4.660 -0.076 0.000 0.299 6 W C 0.244 176.601 176.519 -0.270 0.000 1.215 6 W CA 0.169 57.471 57.345 -0.072 0.000 1.244 6 W CB -0.164 29.339 29.460 0.072 0.000 1.140 6 W HN -0.399 7.795 8.180 0.098 0.046 0.523 7 V N -7.758 112.175 119.914 0.032 0.000 2.673 7 V HA -0.011 3.990 4.120 -0.199 0.000 0.303 7 V C -0.814 175.190 176.094 -0.151 0.000 1.046 7 V CA 0.311 62.556 62.300 -0.092 0.000 1.126 7 V CB 0.659 32.473 31.823 -0.015 0.000 0.934 7 V HN -0.711 7.541 8.190 0.128 0.015 0.487 8 S N 4.702 120.279 115.700 -0.205 0.000 2.558 8 S HA 0.093 4.493 4.470 -0.118 0.000 0.238 8 S C -0.117 174.429 174.600 -0.090 0.000 1.183 8 S CA -0.694 57.418 58.200 -0.147 0.000 1.185 8 S CB -0.030 63.062 63.200 -0.179 0.000 1.003 8 S HN 0.136 8.286 8.310 -0.267 0.000 0.478 9 Q N -1.066 118.698 119.800 -0.060 0.000 2.463 9 Q HA -0.261 4.064 4.340 -0.024 0.000 0.299 9 Q C -1.579 174.411 176.000 -0.017 0.000 1.353 9 Q CA 1.061 56.844 55.803 -0.032 0.000 0.828 9 Q CB -1.308 27.411 28.738 -0.031 0.000 1.157 9 Q HN 0.044 8.278 8.270 -0.061 0.000 0.436 10 D N -0.776 119.624 120.400 -0.001 0.000 2.446 10 D HA 0.334 4.988 4.640 0.024 0.000 0.251 10 D C -1.348 174.997 176.300 0.075 0.000 1.137 10 D CA -2.178 51.843 54.000 0.037 0.000 0.890 10 D CB 1.207 42.033 40.800 0.044 0.000 1.071 10 D HN -0.167 8.202 8.370 -0.002 0.000 0.528 11 P HA -0.210 4.231 4.420 0.035 0.000 0.217 11 P C 0.700 178.039 177.300 0.064 0.000 1.151 11 P CA 2.362 65.489 63.100 0.045 0.000 0.849 11 P CB 0.155 31.873 31.700 0.030 0.000 0.787 12 L N -3.968 117.301 121.223 0.077 0.000 2.056 12 L HA -0.259 4.122 4.340 0.069 0.000 0.207 12 L C 1.562 178.499 176.870 0.111 0.000 1.078 12 L CA 2.964 57.855 54.840 0.084 0.000 0.749 12 L CB -0.479 41.626 42.059 0.076 0.000 0.901 12 L HN -0.319 7.940 8.230 0.071 0.014 0.433 13 Y N -0.479 119.824 120.300 0.006 0.000 2.163 13 Y HA -0.397 4.158 4.550 0.008 0.000 0.288 13 Y C 1.906 177.785 175.900 -0.035 0.000 1.136 13 Y CA 3.856 61.938 58.100 -0.030 0.000 1.147 13 Y CB 0.097 38.493 38.460 -0.107 0.000 0.987 13 Y HN -0.797 7.534 8.280 0.218 0.081 0.509 14 I N -1.371 119.278 120.570 0.131 0.000 2.286 14 I HA -0.618 3.552 4.170 0.000 0.000 0.248 14 I C 1.336 177.451 176.117 -0.003 0.000 1.115 14 I CA 4.012 65.326 61.300 0.023 0.000 1.392 14 I CB -0.231 37.773 38.000 0.006 0.000 1.065 14 I HN 0.677 8.884 8.210 0.185 0.115 0.418 15 A N 0.097 122.934 122.820 0.028 0.000 1.902 15 A HA -0.320 4.020 4.320 0.033 0.000 0.217 15 A C 1.570 179.185 177.584 0.052 0.000 1.181 15 A CA 3.062 55.125 52.037 0.043 0.000 0.623 15 A CB -0.916 18.119 19.000 0.058 0.000 0.818 15 A HN 0.324 8.384 8.150 0.046 0.118 0.443 16 Y N -0.260 119.975 120.300 -0.109 0.000 2.242 16 Y HA -0.432 4.087 4.550 -0.053 0.000 0.291 16 Y C 1.407 177.224 175.900 -0.138 0.000 1.137 16 Y CA 3.253 61.269 58.100 -0.140 0.000 1.181 16 Y CB 0.039 38.352 38.460 -0.245 0.000 0.989 16 Y HN -0.485 7.772 8.280 0.094 0.079 0.527 17 H N 0.435 119.263 119.070 -0.404 0.000 2.290 17 H HA -0.350 4.007 4.556 -0.331 0.000 0.298 17 H C 1.503 176.796 175.328 -0.059 0.000 1.087 17 H CA 3.855 59.711 56.048 -0.319 0.000 1.291 17 H CB -0.092 29.464 29.762 -0.344 0.000 1.369 17 H HN 0.042 8.002 8.280 -0.191 0.206 0.492 18 D N -1.764 118.836 120.400 0.334 0.000 2.117 18 D HA -0.216 4.674 4.640 0.416 0.000 0.198 18 D C 1.054 177.389 176.300 0.059 0.000 0.982 18 D CA 2.440 56.593 54.000 0.255 0.000 0.828 18 D CB 0.071 40.950 40.800 0.131 0.000 0.967 18 D HN -0.375 8.113 8.370 0.197 0.000 0.464 19 N N -2.161 116.520 118.700 -0.031 0.000 2.069 19 N HA -0.217 4.509 4.740 -0.024 0.000 0.191 19 N C 0.512 175.940 175.510 -0.137 0.000 1.031 19 N CA 2.150 55.155 53.050 -0.075 0.000 0.852 19 N CB 0.998 39.438 38.487 -0.078 0.000 1.018 19 N HN -0.418 7.943 8.380 -0.031 0.000 0.423 20 E N -4.872 115.159 120.200 -0.280 0.000 4.376 20 E HA 0.037 4.297 4.350 -0.150 0.000 0.150 20 E C -2.001 174.455 176.600 -0.239 0.000 1.280 20 E CA -0.142 56.110 56.400 -0.247 0.000 0.734 20 E CB 1.318 30.875 29.700 -0.238 0.000 2.480 20 E HN -0.235 7.876 8.360 -0.416 0.000 0.601 21 W N 0.344 121.307 121.300 -0.562 0.000 3.157 21 W HA -0.411 4.116 4.660 -0.222 0.000 0.446 21 W C -0.156 176.205 176.519 -0.263 0.000 1.833 21 W CA 0.938 58.034 57.345 -0.415 0.000 0.475 21 W CB -0.783 28.316 29.460 -0.603 0.000 2.862 21 W HN 0.195 8.174 8.180 -0.335 0.000 0.450 22 G N 1.940 110.408 108.800 -0.553 0.000 2.184 22 G HA2 -0.432 3.259 3.960 -0.663 0.000 0.206 22 G HA3 -0.432 3.076 3.960 -0.753 0.000 0.206 22 G C -0.813 173.863 174.900 -0.374 0.000 0.995 22 G CA -0.388 44.340 45.100 -0.619 0.000 0.651 22 G HN -0.270 7.797 8.290 -0.372 0.000 0.511 23 V N 2.795 122.562 119.914 -0.245 0.000 2.455 23 V HA 0.029 4.053 4.120 -0.160 0.000 0.273 23 V C -2.062 173.975 176.094 -0.096 0.000 1.045 23 V CA -2.065 60.145 62.300 -0.149 0.000 0.976 23 V CB 0.233 31.997 31.823 -0.099 0.000 0.993 23 V HN -0.304 7.693 8.190 -0.224 0.058 0.475 24 P HA -0.136 4.395 4.420 0.004 -0.109 0.260 24 P C -1.437 175.902 177.300 0.066 0.000 1.172 24 P CA 0.510 63.621 63.100 0.018 0.000 0.760 24 P CB 0.170 31.904 31.700 0.057 0.000 0.773 25 E N 4.580 124.842 120.200 0.103 0.000 2.171 25 E HA 0.274 4.686 4.350 0.104 0.000 0.271 25 E C -0.427 176.302 176.600 0.216 0.000 0.916 25 E CA -0.893 55.583 56.400 0.126 0.000 0.774 25 E CB 2.365 32.127 29.700 0.102 0.000 1.128 25 E HN -0.273 8.141 8.360 0.089 0.000 0.403 26 T N -0.940 113.740 114.554 0.210 0.000 3.040 26 T HA 0.133 4.749 4.350 0.442 0.000 0.266 26 T C -0.819 174.011 174.700 0.217 0.000 1.005 26 T CA -0.558 61.714 62.100 0.287 0.000 0.906 26 T CB 0.629 69.632 68.868 0.226 0.000 1.082 26 T HN 0.211 8.544 8.240 0.154 0.000 0.531 27 D N 2.923 123.420 120.400 0.162 0.000 2.339 27 D HA 0.180 4.906 4.640 0.143 0.000 0.241 27 D C 0.585 176.978 176.300 0.155 0.000 1.183 27 D CA -0.174 53.910 54.000 0.141 0.000 0.859 27 D CB 0.039 40.903 40.800 0.107 0.000 1.067 27 D HN -0.263 8.142 8.370 0.146 0.052 0.484 28 S N 5.214 121.027 115.700 0.187 0.000 2.383 28 S HA -0.471 4.137 4.470 0.229 0.000 0.229 28 S C 1.475 176.213 174.600 0.229 0.000 1.030 28 S CA 4.014 62.355 58.200 0.236 0.000 1.002 28 S CB -0.164 63.205 63.200 0.280 0.000 0.829 28 S HN 0.649 9.069 8.310 0.184 0.000 0.467 29 K N 0.392 120.912 120.400 0.199 0.000 2.057 29 K HA -0.300 4.147 4.320 0.211 0.000 0.207 29 K C 2.381 179.040 176.600 0.098 0.000 1.049 29 K CA 3.556 59.943 56.287 0.168 0.000 0.931 29 K CB -0.544 32.035 32.500 0.133 0.000 0.714 29 K HN 0.286 8.639 8.250 0.183 0.007 0.440 30 K N 0.182 120.625 120.400 0.071 0.000 2.025 30 K HA -0.215 4.094 4.320 -0.019 0.000 0.207 30 K C 2.351 178.936 176.600 -0.024 0.000 1.049 30 K CA 3.147 59.444 56.287 0.016 0.000 0.933 30 K CB -0.207 32.317 32.500 0.041 0.000 0.714 30 K HN -0.269 7.953 8.250 0.094 0.085 0.438 31 L N -1.120 120.103 121.223 0.000 0.000 2.012 31 L HA -0.376 3.911 4.340 -0.089 0.000 0.210 31 L C 2.380 179.091 176.870 -0.265 0.000 1.073 31 L CA 3.257 58.030 54.840 -0.112 0.000 0.748 31 L CB -0.186 41.818 42.059 -0.091 0.000 0.891 31 L HN 0.179 8.443 8.230 0.057 0.000 0.431 32 F N -0.651 119.083 119.950 -0.359 0.000 2.102 32 F HA -0.493 3.567 4.527 -0.779 0.000 0.298 32 F C 1.683 177.221 175.800 -0.437 0.000 1.105 32 F CA 3.726 61.384 58.000 -0.570 0.000 1.239 32 F CB 0.291 38.949 39.000 -0.570 0.000 0.991 32 F HN 0.193 8.522 8.300 0.050 0.000 0.474 33 E N -0.711 119.346 120.200 -0.239 0.000 2.153 33 E HA -0.500 3.554 4.350 -0.492 0.000 0.194 33 E C 1.950 178.273 176.600 -0.461 0.000 0.988 33 E CA 2.929 59.094 56.400 -0.392 0.000 0.811 33 E CB -0.003 29.523 29.700 -0.291 0.000 0.746 33 E HN -0.143 8.190 8.360 -0.045 0.000 0.466 34 M N 0.592 119.984 119.600 -0.346 0.000 2.067 34 M HA -0.328 3.983 4.480 -0.282 0.000 0.260 34 M C 1.583 177.670 176.300 -0.355 0.000 1.069 34 M CA 3.157 58.286 55.300 -0.286 0.000 1.117 34 M CB -0.136 32.393 32.600 -0.119 0.000 1.334 34 M HN 0.186 8.095 8.290 -0.276 0.216 0.407 35 I N -0.867 119.444 120.570 -0.431 0.000 2.394 35 I HA -0.469 3.551 4.170 -0.250 0.000 0.251 35 I C 1.268 177.151 176.117 -0.390 0.000 1.136 35 I CA 3.216 64.281 61.300 -0.392 0.000 1.425 35 I CB 0.326 38.023 38.000 -0.504 0.000 1.079 35 I HN -0.539 7.367 8.210 -0.506 0.000 0.425 36 C N 0.402 119.367 119.300 -0.559 0.000 2.429 36 C HA -0.407 3.929 4.460 -0.206 0.000 0.277 36 C C 1.614 176.278 174.990 -0.544 0.000 1.262 36 C CA 3.683 62.414 59.018 -0.478 0.000 1.733 36 C CB -0.487 26.898 27.740 -0.591 0.000 2.010 36 C HN -0.454 7.254 8.230 -0.705 0.098 0.483 37 L N -0.020 120.829 121.223 -0.623 0.000 2.093 37 L HA -0.124 3.917 4.340 -0.798 -0.179 0.208 37 L C 2.727 179.308 176.870 -0.482 0.000 1.085 37 L CA 2.874 57.318 54.840 -0.659 0.000 0.755 37 L CB 0.038 41.703 42.059 -0.656 0.000 0.904 37 L HN -0.463 7.400 8.230 -0.612 0.000 0.435 38 E N -2.478 117.480 120.200 -0.404 0.000 2.209 38 E HA -0.337 3.785 4.350 -0.379 0.000 0.196 38 E C 2.419 178.881 176.600 -0.231 0.000 0.993 38 E CA 2.687 58.898 56.400 -0.314 0.000 0.819 38 E CB -1.055 28.512 29.700 -0.222 0.000 0.745 38 E HN -0.425 7.601 8.360 -0.400 0.094 0.477 39 G N -1.531 107.110 108.800 -0.267 0.000 2.505 39 G HA2 -0.326 3.600 3.960 -0.057 0.000 0.220 39 G HA3 -0.326 3.124 3.960 -0.851 0.000 0.220 39 G C 2.053 176.770 174.900 -0.305 0.000 1.145 39 G CA 2.038 46.931 45.100 -0.346 0.000 0.761 39 G HN -0.461 7.515 8.290 -0.306 0.131 0.571 40 Q N -0.090 119.535 119.800 -0.292 0.000 2.124 40 Q HA -0.286 3.955 4.340 -0.165 0.000 0.202 40 Q C 2.464 178.385 176.000 -0.132 0.000 0.977 40 Q CA 2.712 58.414 55.803 -0.169 0.000 0.850 40 Q CB -0.515 28.160 28.738 -0.105 0.000 0.901 40 Q HN -0.440 7.617 8.270 -0.344 0.006 0.429 41 Q N -0.359 119.347 119.800 -0.157 0.000 2.152 41 Q HA -0.320 3.963 4.340 -0.095 0.000 0.206 41 Q C 0.074 176.045 176.000 -0.047 0.000 0.985 41 Q CA 1.806 57.545 55.803 -0.106 0.000 0.863 41 Q CB 0.136 28.795 28.738 -0.132 0.000 0.904 41 Q HN -0.279 7.743 8.270 -0.212 0.121 0.422 42 A N -1.246 121.547 122.820 -0.044 0.000 2.540 42 A HA -0.299 4.032 4.320 0.019 0.000 0.268 42 A C 0.321 177.900 177.584 -0.008 0.000 1.061 42 A CA 1.519 53.553 52.037 -0.006 0.000 0.821 42 A CB -0.805 18.197 19.000 0.002 0.000 0.970 42 A HN -0.530 7.464 8.150 -0.072 0.114 0.524 43 G N 2.022 110.827 108.800 0.010 0.000 2.213 43 G HA2 -0.216 3.754 3.960 0.016 0.000 0.236 43 G HA3 -0.216 3.745 3.960 0.001 0.000 0.236 43 G C -0.796 174.110 174.900 0.010 0.000 0.991 43 G CA 0.178 45.284 45.100 0.009 0.000 0.629 43 G HN 0.022 8.325 8.290 0.023 0.000 0.517 44 L N -1.832 119.395 121.223 0.006 0.000 2.777 44 L HA 0.317 4.665 4.340 0.013 0.000 0.241 44 L C -1.897 174.992 176.870 0.032 0.000 1.854 44 L CA -1.564 53.282 54.840 0.010 0.000 2.070 44 L CB 1.368 43.422 42.059 -0.009 0.000 2.441 44 L HN 0.290 8.291 8.230 -0.000 0.229 0.587 45 S N -4.157 111.566 115.700 0.039 0.000 2.588 45 S HA 0.223 4.763 4.470 0.116 0.000 0.275 45 S C -0.258 174.420 174.600 0.130 0.000 1.130 45 S CA -1.098 57.158 58.200 0.094 0.000 0.855 45 S CB 2.155 65.404 63.200 0.083 0.000 1.116 45 S HN -0.195 8.128 8.310 0.022 0.000 0.472 46 W N 3.612 124.925 121.300 0.021 0.000 2.321 46 W HA -0.308 4.362 4.660 0.018 0.000 0.306 46 W C 0.579 177.113 176.519 0.025 0.000 1.217 46 W CA 4.932 62.299 57.345 0.037 0.000 1.257 46 W CB 0.120 29.647 29.460 0.111 0.000 1.145 46 W HN 0.498 8.894 8.180 0.360 0.000 0.509 47 I N -2.408 118.375 120.570 0.354 0.000 2.286 47 I HA -0.436 3.945 4.170 0.352 0.000 0.248 47 I C 1.111 177.290 176.117 0.103 0.000 1.115 47 I CA 2.744 64.189 61.300 0.242 0.000 1.392 47 I CB 0.056 38.138 38.000 0.137 0.000 1.065 47 I HN -0.200 8.179 8.210 0.290 0.004 0.418 48 T N 1.795 116.383 114.554 0.057 0.000 2.821 48 T HA -0.333 4.025 4.350 0.012 0.000 0.267 48 T C 2.066 176.740 174.700 -0.044 0.000 1.046 48 T CA 4.892 66.996 62.100 0.006 0.000 1.139 48 T CB -0.380 68.489 68.868 0.002 0.000 0.871 48 T HN -0.747 7.433 8.240 0.075 0.105 0.454 49 V N 1.916 121.769 119.914 -0.101 0.000 2.427 49 V HA -0.433 3.583 4.120 -0.174 0.000 0.248 49 V C 1.469 177.442 176.094 -0.201 0.000 1.051 49 V CA 4.108 66.284 62.300 -0.206 0.000 1.048 49 V CB -0.805 30.790 31.823 -0.380 0.000 0.666 49 V HN -0.554 7.503 8.190 -0.083 0.083 0.456 50 L N -0.872 120.253 121.223 -0.163 0.000 1.990 50 L HA -0.565 3.630 4.340 -0.243 0.000 0.213 50 L C 2.065 178.879 176.870 -0.094 0.000 1.072 50 L CA 3.688 58.436 54.840 -0.154 0.000 0.755 50 L CB -1.104 40.907 42.059 -0.081 0.000 0.889 50 L HN -0.441 7.726 8.230 -0.105 0.000 0.432 51 K N -2.151 118.221 120.400 -0.046 0.000 2.032 51 K HA -0.392 3.918 4.320 -0.016 0.000 0.209 51 K C 2.763 179.346 176.600 -0.028 0.000 1.048 51 K CA 3.490 59.763 56.287 -0.024 0.000 0.927 51 K CB -0.323 32.174 32.500 -0.006 0.000 0.712 51 K HN -0.759 7.474 8.250 -0.028 0.000 0.441 52 K N -1.432 118.943 120.400 -0.043 0.000 2.211 52 K HA -0.277 4.039 4.320 -0.007 0.000 0.203 52 K C 1.845 178.427 176.600 -0.030 0.000 1.050 52 K CA 2.341 58.609 56.287 -0.031 0.000 0.945 52 K CB -0.631 31.840 32.500 -0.049 0.000 0.732 52 K HN -0.535 7.682 8.250 -0.054 0.000 0.451 53 R N 0.335 120.783 120.500 -0.087 0.000 2.103 53 R HA -0.466 3.793 4.340 -0.135 0.000 0.242 53 R C 1.783 178.080 176.300 -0.005 0.000 1.142 53 R CA 4.253 60.293 56.100 -0.099 0.000 0.960 53 R CB -0.213 29.985 30.300 -0.170 0.000 0.858 53 R HN 0.633 8.588 8.270 -0.115 0.246 0.439 54 E N -1.832 118.364 120.200 -0.006 0.000 2.072 54 E HA -0.297 4.069 4.350 0.027 0.000 0.191 54 E C 2.325 178.954 176.600 0.048 0.000 0.985 54 E CA 2.988 59.402 56.400 0.024 0.000 0.801 54 E CB -0.300 29.410 29.700 0.017 0.000 0.750 54 E HN -0.596 7.748 8.360 -0.028 -0.001 0.452 55 N N -0.218 118.507 118.700 0.042 0.000 2.188 55 N HA -0.345 4.412 4.740 0.028 0.000 0.184 55 N C 2.101 177.655 175.510 0.074 0.000 1.018 55 N CA 2.762 55.836 53.050 0.041 0.000 0.858 55 N CB 0.191 38.693 38.487 0.025 0.000 0.989 55 N HN -0.779 7.539 8.380 0.025 0.077 0.426 56 Y N 1.895 122.183 120.300 -0.020 0.000 2.128 56 Y HA -0.413 4.214 4.550 0.129 0.000 0.284 56 Y C 0.966 176.947 175.900 0.133 0.000 1.154 56 Y CA 4.099 62.223 58.100 0.040 0.000 1.149 56 Y CB 0.267 38.650 38.460 -0.129 0.000 0.976 56 Y HN 0.673 8.844 8.280 0.169 0.210 0.505 57 R N -2.342 118.218 120.500 0.100 0.000 2.189 57 R HA -0.410 3.812 4.340 -0.054 0.086 0.223 57 R C 1.666 178.011 176.300 0.074 0.000 1.092 57 R CA 2.396 58.499 56.100 0.004 0.000 0.989 57 R CB -0.707 29.556 30.300 -0.061 0.000 0.876 57 R HN -0.501 7.873 8.270 0.174 0.000 0.457 58 A N -0.087 122.774 122.820 0.069 0.000 1.902 58 A HA -0.207 4.195 4.320 0.137 0.000 0.217 58 A C 1.477 179.038 177.584 -0.038 0.000 1.181 58 A CA 2.671 54.743 52.037 0.058 0.000 0.623 58 A CB -0.508 18.500 19.000 0.014 0.000 0.818 58 A HN -0.384 7.654 8.150 0.056 0.146 0.443 59 C N -4.885 114.325 119.300 -0.151 0.000 2.518 59 C HA 0.094 4.388 4.460 -0.276 0.000 0.283 59 C C 0.723 175.393 174.990 -0.533 0.000 1.351 59 C CA 1.215 60.014 59.018 -0.365 0.000 1.745 59 C CB 1.839 29.274 27.740 -0.508 0.000 2.107 59 C HN -0.664 7.490 8.230 -0.123 0.002 0.502 60 F N -1.703 118.045 119.950 -0.337 0.000 2.713 60 F HA 0.045 4.487 4.527 -0.142 0.000 0.294 60 F C 0.658 176.392 175.800 -0.109 0.000 1.152 60 F CA -0.061 57.756 58.000 -0.304 0.000 1.385 60 F CB -0.735 37.769 39.000 -0.826 0.000 0.981 60 F HN 0.562 8.593 8.300 -0.263 0.112 0.514 61 H N 0.675 119.735 119.070 -0.017 0.000 2.394 61 H HA -0.370 4.197 4.556 0.042 0.013 0.297 61 H C 0.904 176.284 175.328 0.085 0.000 1.113 61 H CA 3.759 59.825 56.048 0.029 0.000 1.277 61 H CB 0.188 29.945 29.762 -0.008 0.000 1.370 61 H HN -0.029 8.209 8.280 0.083 0.092 0.506 62 Q N -3.192 116.733 119.800 0.209 0.000 2.089 62 Q HA -0.144 4.302 4.340 0.176 0.000 0.195 62 Q C -0.287 175.857 176.000 0.240 0.000 0.963 62 Q CA 0.870 56.779 55.803 0.176 0.000 0.834 62 Q CB 0.649 29.448 28.738 0.102 0.000 0.906 62 Q HN -0.060 8.295 8.270 0.169 0.016 0.452 63 F N -2.921 117.088 119.950 0.099 0.000 3.021 63 F HA -0.339 4.318 4.527 0.217 0.000 0.256 63 F C -1.960 173.881 175.800 0.069 0.000 0.976 63 F CA 0.215 58.294 58.000 0.132 0.000 0.861 63 F CB -0.672 38.400 39.000 0.121 0.000 0.778 63 F HN -0.036 8.446 8.300 0.304 0.000 0.765 64 D N -1.219 119.141 120.400 -0.065 0.000 2.455 64 D HA 0.071 4.690 4.640 -0.034 0.000 0.241 64 D C -0.482 175.664 176.300 -0.258 0.000 1.138 64 D CA -0.402 53.539 54.000 -0.099 0.000 0.877 64 D CB 0.612 41.390 40.800 -0.036 0.000 1.187 64 D HN -0.297 8.063 8.370 0.006 0.013 0.451 65 P HA -0.127 4.061 4.420 -0.387 0.000 0.214 65 P C 1.030 178.271 177.300 -0.099 0.000 1.162 65 P CA 2.603 65.574 63.100 -0.216 0.000 0.874 65 P CB 0.423 32.071 31.700 -0.086 0.000 0.784 66 V N -0.751 119.139 119.914 -0.041 0.000 2.307 66 V HA -0.393 3.729 4.120 0.003 0.000 0.245 66 V C 2.120 178.197 176.094 -0.028 0.000 1.045 66 V CA 4.091 66.382 62.300 -0.014 0.000 1.024 66 V CB -0.536 31.288 31.823 0.001 0.000 0.651 66 V HN 0.058 8.230 8.190 -0.030 0.000 0.449 67 K N -1.870 118.505 120.400 -0.041 0.000 2.057 67 K HA -0.330 3.978 4.320 -0.019 0.000 0.207 67 K C 1.657 178.232 176.600 -0.042 0.000 1.049 67 K CA 3.127 59.394 56.287 -0.034 0.000 0.931 67 K CB -0.328 32.154 32.500 -0.031 0.000 0.714 67 K HN -0.253 7.970 8.250 -0.046 0.000 0.440 68 V N -1.695 118.163 119.914 -0.093 0.000 2.427 68 V HA -0.491 3.615 4.120 -0.023 0.000 0.248 68 V C 2.188 178.265 176.094 -0.029 0.000 1.051 68 V CA 4.289 66.538 62.300 -0.085 0.000 1.048 68 V CB 0.002 31.663 31.823 -0.270 0.000 0.666 68 V HN -0.294 7.706 8.190 -0.141 0.105 0.456 69 A N -0.483 122.319 122.820 -0.030 0.000 1.969 69 A HA -0.116 4.383 4.320 0.037 -0.157 0.218 69 A C 0.003 177.597 177.584 0.017 0.000 1.169 69 A CA 2.453 54.499 52.037 0.015 0.000 0.635 69 A CB -0.120 18.895 19.000 0.026 0.000 0.810 69 A HN -0.265 7.851 8.150 -0.058 0.000 0.445 70 A N -4.732 118.091 122.820 0.006 0.000 2.577 70 A HA 0.270 4.598 4.320 0.013 0.000 0.280 70 A C -0.229 177.361 177.584 0.009 0.000 1.331 70 A CA -1.294 50.748 52.037 0.009 0.000 0.935 70 A CB -0.839 18.163 19.000 0.004 0.000 1.082 70 A HN -0.443 7.586 8.150 -0.006 0.117 0.525 71 M N 0.325 119.935 119.600 0.016 0.000 2.240 71 M HA -0.184 4.314 4.480 0.009 -0.012 0.317 71 M C -0.606 175.706 176.300 0.021 0.000 1.087 71 M CA 1.337 56.648 55.300 0.020 0.000 1.176 71 M CB 1.171 33.796 32.600 0.042 0.000 1.439 71 M HN -0.790 7.324 8.290 0.019 0.187 0.452 72 Q N 1.260 121.069 119.800 0.015 0.000 2.226 72 Q HA 0.244 4.593 4.340 0.015 0.000 0.256 72 Q C 0.868 176.880 176.000 0.020 0.000 0.962 72 Q CA -1.385 54.426 55.803 0.014 0.000 0.887 72 Q CB 1.661 30.402 28.738 0.005 0.000 1.282 72 Q HN -0.295 8.207 8.270 0.009 -0.227 0.449 73 E N 1.892 122.104 120.200 0.021 0.000 2.209 73 E HA -0.449 3.922 4.350 0.035 0.000 0.196 73 E C 1.592 178.203 176.600 0.018 0.000 0.993 73 E CA 3.696 60.111 56.400 0.025 0.000 0.819 73 E CB -0.452 29.261 29.700 0.022 0.000 0.745 73 E HN 0.602 8.973 8.360 0.018 0.000 0.477 74 E N -2.276 117.929 120.200 0.009 0.000 2.110 74 E HA -0.263 4.088 4.350 0.002 0.000 0.193 74 E C 2.082 178.679 176.600 -0.005 0.000 0.988 74 E CA 3.067 59.467 56.400 0.001 0.000 0.804 74 E CB -0.664 29.033 29.700 -0.004 0.000 0.745 74 E HN 0.369 8.709 8.360 0.008 0.024 0.458 75 D N -0.198 120.198 120.400 -0.006 0.000 2.117 75 D HA -0.206 4.409 4.640 -0.042 0.000 0.197 75 D C 2.307 178.600 176.300 -0.012 0.000 0.987 75 D CA 2.978 56.964 54.000 -0.023 0.000 0.829 75 D CB -0.665 40.122 40.800 -0.021 0.000 0.961 75 D HN -0.423 7.834 8.370 -0.000 0.112 0.460 76 V N -0.380 119.549 119.914 0.024 0.000 2.332 76 V HA -0.477 3.690 4.120 0.078 0.000 0.248 76 V C 1.721 177.835 176.094 0.033 0.000 1.055 76 V CA 3.835 66.167 62.300 0.053 0.000 1.038 76 V CB -0.426 31.438 31.823 0.069 0.000 0.651 76 V HN -0.796 7.321 8.190 0.028 0.091 0.450 77 E N -0.847 119.364 120.200 0.019 0.000 2.110 77 E HA -0.409 3.953 4.350 0.020 0.000 0.193 77 E C 2.285 178.882 176.600 -0.004 0.000 0.988 77 E CA 3.139 59.545 56.400 0.011 0.000 0.804 77 E CB -0.182 29.522 29.700 0.006 0.000 0.745 77 E HN -0.683 7.687 8.360 0.017 0.000 0.458 78 R N -0.797 119.690 120.500 -0.021 0.000 2.066 78 R HA -0.251 4.069 4.340 -0.034 0.000 0.232 78 R C 2.608 178.872 176.300 -0.059 0.000 1.131 78 R CA 3.050 59.125 56.100 -0.042 0.000 0.955 78 R CB -0.005 30.260 30.300 -0.058 0.000 0.851 78 R HN -0.486 7.693 8.270 -0.019 0.080 0.432 79 L N -1.881 119.298 121.223 -0.074 0.000 2.083 79 L HA -0.332 3.913 4.340 -0.159 0.000 0.209 79 L C 2.153 179.004 176.870 -0.032 0.000 1.083 79 L CA 2.778 57.554 54.840 -0.106 0.000 0.752 79 L CB -0.265 41.709 42.059 -0.142 0.000 0.899 79 L HN 0.006 8.198 8.230 -0.064 0.000 0.433 80 V N -3.223 116.698 119.914 0.012 0.000 2.392 80 V HA -0.419 3.739 4.120 0.064 0.000 0.249 80 V C 2.205 178.307 176.094 0.012 0.000 1.059 80 V CA 4.041 66.363 62.300 0.036 0.000 1.051 80 V CB -0.385 31.463 31.823 0.043 0.000 0.658 80 V HN -0.542 7.646 8.190 0.014 0.011 0.455 81 Q N -3.351 116.445 119.800 -0.006 0.000 2.331 81 Q HA -0.062 4.276 4.340 -0.003 0.000 0.203 81 Q C 0.367 176.352 176.000 -0.024 0.000 0.944 81 Q CA 0.394 56.190 55.803 -0.012 0.000 0.892 81 Q CB -0.098 28.631 28.738 -0.015 0.000 0.983 81 Q HN -0.716 7.445 8.270 -0.011 0.102 0.482 82 D N -1.224 119.150 120.400 -0.042 0.000 2.316 82 D HA -0.025 4.585 4.640 -0.049 0.000 0.245 82 D C 0.203 176.473 176.300 -0.049 0.000 1.171 82 D CA -0.253 53.712 54.000 -0.059 0.000 0.856 82 D CB 0.615 41.355 40.800 -0.099 0.000 1.090 82 D HN -0.666 7.517 8.370 -0.047 0.159 0.476 83 A N 7.399 130.199 122.820 -0.034 0.000 4.411 83 A HA -0.385 3.925 4.320 -0.017 0.000 0.252 83 A C 0.522 178.102 177.584 -0.007 0.000 0.659 83 A CA 1.887 53.911 52.037 -0.022 0.000 1.147 83 A CB -1.102 17.881 19.000 -0.029 0.000 1.142 83 A HN 0.774 8.905 8.150 -0.032 0.000 0.682 84 G N -2.257 106.540 108.800 -0.004 0.000 2.480 84 G HA2 -0.360 3.834 3.960 0.025 0.000 0.246 84 G HA3 -0.360 3.611 3.960 0.018 0.000 0.246 84 G C -0.347 174.573 174.900 0.034 0.000 1.073 84 G CA 0.623 45.735 45.100 0.019 0.000 0.643 84 G HN 0.409 8.506 8.290 -0.015 0.184 0.525 85 I N -3.034 117.546 120.570 0.018 0.000 3.815 85 I HA -0.500 3.679 4.170 0.014 0.000 0.126 85 I C -0.584 175.567 176.117 0.057 0.000 1.050 85 I CA 0.468 61.779 61.300 0.018 0.000 2.736 85 I CB -2.511 35.479 38.000 -0.017 0.000 1.417 85 I HN -0.341 7.707 8.210 0.006 0.166 0.341 86 I N -4.189 116.415 120.570 0.055 0.000 9.073 86 I HA -0.408 3.791 4.170 0.048 0.000 0.126 86 I C -0.782 175.400 176.117 0.109 0.000 1.833 86 I CA 0.650 61.992 61.300 0.071 0.000 2.086 86 I CB 0.374 38.419 38.000 0.075 0.000 3.890 86 I HN -0.031 8.201 8.210 0.037 0.000 0.184 87 R N 1.204 121.751 120.500 0.078 0.000 2.537 87 R HA -0.221 4.166 4.340 0.080 0.000 0.281 87 R C -0.450 175.926 176.300 0.126 0.000 0.988 87 R CA 1.173 57.320 56.100 0.077 0.000 1.077 87 R CB 0.338 30.657 30.300 0.031 0.000 0.932 87 R HN 0.009 8.310 8.270 0.052 0.000 0.409 88 H N 4.396 123.479 119.070 0.023 0.000 3.566 88 H HA 0.098 4.656 4.556 0.003 0.000 0.259 88 H C 0.661 176.015 175.328 0.044 0.000 1.184 88 H CA 0.023 56.089 56.048 0.030 0.000 1.107 88 H CB 1.498 31.302 29.762 0.069 0.000 1.726 88 H HN 0.479 8.856 8.280 0.162 0.000 0.743 89 R N 1.323 121.880 120.500 0.095 0.000 2.083 89 R HA -0.306 4.098 4.340 0.106 0.000 0.237 89 R C 1.861 178.181 176.300 0.034 0.000 1.137 89 R CA 4.263 60.407 56.100 0.073 0.000 0.951 89 R CB -0.277 30.051 30.300 0.048 0.000 0.851 89 R HN 0.353 8.673 8.270 0.084 0.000 0.434 90 G N -3.070 105.719 108.800 -0.019 0.000 2.394 90 G HA2 -0.169 3.791 3.960 0.000 0.000 0.214 90 G HA3 -0.169 3.764 3.960 -0.044 0.000 0.214 90 G C 1.357 176.206 174.900 -0.085 0.000 1.176 90 G CA 1.312 46.391 45.100 -0.035 0.000 0.786 90 G HN 0.284 8.557 8.290 -0.029 0.000 0.533 91 K N 1.925 122.171 120.400 -0.256 0.000 2.057 91 K HA -0.280 3.848 4.320 -0.320 0.000 0.207 91 K C 2.505 179.018 176.600 -0.144 0.000 1.049 91 K CA 2.584 58.598 56.287 -0.455 0.000 0.931 91 K CB -0.376 31.332 32.500 -1.320 0.000 0.714 91 K HN -0.372 7.702 8.250 -0.293 0.000 0.440 92 I N -0.705 119.931 120.570 0.111 0.000 2.194 92 I HA -0.576 3.865 4.170 0.453 0.000 0.246 92 I C 1.660 177.891 176.117 0.190 0.000 1.093 92 I CA 4.448 65.942 61.300 0.324 0.000 1.355 92 I CB -0.353 37.851 38.000 0.341 0.000 1.046 92 I HN 0.789 8.895 8.210 0.061 0.142 0.413 93 Q N -1.930 117.941 119.800 0.118 0.000 2.135 93 Q HA -0.374 4.033 4.340 0.112 0.000 0.204 93 Q C 2.118 178.191 176.000 0.122 0.000 0.981 93 Q CA 3.335 59.200 55.803 0.104 0.000 0.856 93 Q CB -0.660 28.121 28.738 0.072 0.000 0.902 93 Q HN -0.188 8.132 8.270 0.087 0.003 0.425 94 A N 0.489 123.379 122.820 0.116 0.000 1.930 94 A HA -0.233 4.216 4.320 0.215 0.000 0.217 94 A C 2.042 179.767 177.584 0.234 0.000 1.175 94 A CA 2.950 55.104 52.037 0.196 0.000 0.627 94 A CB -1.052 18.066 19.000 0.197 0.000 0.815 94 A HN -0.614 7.449 8.150 0.066 0.126 0.443 95 I N -1.108 119.574 120.570 0.186 0.000 2.163 95 I HA -0.461 3.857 4.170 0.246 0.000 0.243 95 I C 2.132 178.376 176.117 0.212 0.000 1.085 95 I CA 2.709 64.140 61.300 0.217 0.000 1.347 95 I CB -1.421 36.699 38.000 0.198 0.000 1.044 95 I HN -0.259 7.929 8.210 0.152 0.112 0.408 96 I N -0.214 120.463 120.570 0.179 0.000 2.163 96 I HA -0.369 4.013 4.170 0.108 -0.147 0.243 96 I C 2.504 178.704 176.117 0.139 0.000 1.085 96 I CA 3.842 65.222 61.300 0.133 0.000 1.347 96 I CB -0.603 37.464 38.000 0.111 0.000 1.044 96 I HN -0.443 7.877 8.210 0.183 0.000 0.408 97 G N -1.738 107.154 108.800 0.153 0.000 2.418 97 G HA2 -0.457 3.562 3.960 0.098 0.000 0.217 97 G HA3 -0.457 3.582 3.960 0.131 0.000 0.217 97 G C 0.976 176.005 174.900 0.215 0.000 1.158 97 G CA 2.162 47.347 45.100 0.141 0.000 0.771 97 G HN -0.209 8.174 8.290 0.155 0.000 0.545 98 N N 2.115 121.020 118.700 0.341 0.000 2.149 98 N HA -0.365 4.836 4.740 0.769 0.000 0.188 98 N C 1.921 177.773 175.510 0.569 0.000 1.019 98 N CA 3.104 56.512 53.050 0.597 0.000 0.857 98 N CB -0.129 38.714 38.487 0.593 0.000 0.997 98 N HN 0.508 8.886 8.380 0.318 0.192 0.426 99 A N -0.062 122.954 122.820 0.327 0.000 1.902 99 A HA -0.263 4.189 4.320 0.220 0.000 0.217 99 A C 2.222 179.937 177.584 0.219 0.000 1.181 99 A CA 3.163 55.324 52.037 0.206 0.000 0.623 99 A CB -0.693 18.322 19.000 0.024 0.000 0.818 99 A HN 0.104 8.317 8.150 0.259 0.092 0.443 100 R N -1.281 119.313 120.500 0.157 0.000 2.081 100 R HA -0.375 4.012 4.340 0.079 0.000 0.235 100 R C 2.347 178.699 176.300 0.087 0.000 1.131 100 R CA 3.393 59.550 56.100 0.094 0.000 0.960 100 R CB -0.049 30.282 30.300 0.051 0.000 0.856 100 R HN -0.377 7.910 8.270 0.150 0.073 0.436 101 A N -0.262 122.615 122.820 0.096 0.000 1.930 101 A HA -0.245 4.000 4.320 -0.125 0.000 0.217 101 A C 1.462 179.181 177.584 0.225 0.000 1.175 101 A CA 2.923 54.933 52.037 -0.045 0.000 0.627 101 A CB -0.430 18.222 19.000 -0.580 0.000 0.815 101 A HN 0.151 8.388 8.150 0.144 0.000 0.443 102 Y N 0.537 121.034 120.300 0.328 0.000 2.145 102 Y HA -0.384 4.368 4.550 0.336 0.000 0.286 102 Y C 1.441 177.360 175.900 0.032 0.000 1.145 102 Y CA 3.845 62.033 58.100 0.146 0.000 1.148 102 Y CB 0.276 38.600 38.460 -0.226 0.000 0.981 102 Y HN 0.103 8.563 8.280 0.605 0.184 0.507 103 L N -0.566 120.758 121.223 0.169 0.000 2.093 103 L HA -0.286 4.059 4.340 0.008 0.000 0.208 103 L C 1.933 178.761 176.870 -0.070 0.000 1.085 103 L CA 2.393 57.257 54.840 0.040 0.000 0.755 103 L CB -0.068 42.046 42.059 0.091 0.000 0.904 103 L HN 0.404 8.700 8.230 0.286 0.107 0.435 104 Q N -1.890 117.881 119.800 -0.049 0.000 2.084 104 Q HA -0.430 3.868 4.340 -0.071 0.000 0.202 104 Q C 2.764 178.680 176.000 -0.141 0.000 0.978 104 Q CA 2.993 58.746 55.803 -0.083 0.000 0.844 104 Q CB -0.255 28.436 28.738 -0.079 0.000 0.898 104 Q HN -0.270 8.000 8.270 0.000 0.000 0.426 105 M N 0.015 119.504 119.600 -0.185 0.000 2.132 105 M HA -0.376 3.950 4.480 -0.256 0.000 0.263 105 M C 1.814 177.913 176.300 -0.335 0.000 1.065 105 M CA 3.728 58.852 55.300 -0.294 0.000 1.122 105 M CB 0.080 32.439 32.600 -0.402 0.000 1.365 105 M HN -0.388 7.814 8.290 -0.137 0.006 0.411 106 E N -1.042 118.941 120.200 -0.362 0.000 2.150 106 E HA -0.369 3.797 4.350 -0.308 0.000 0.193 106 E C 2.666 179.165 176.600 -0.169 0.000 0.985 106 E CA 2.700 58.927 56.400 -0.289 0.000 0.814 106 E CB -0.312 29.222 29.700 -0.278 0.000 0.752 106 E HN -0.552 7.492 8.360 -0.400 0.076 0.466 107 Q N -0.456 119.261 119.800 -0.138 0.000 2.152 107 Q HA -0.283 4.015 4.340 -0.070 0.000 0.206 107 Q C 1.582 177.528 176.000 -0.090 0.000 0.985 107 Q CA 2.804 58.553 55.803 -0.090 0.000 0.863 107 Q CB -0.241 28.451 28.738 -0.076 0.000 0.904 107 Q HN -0.244 7.821 8.270 -0.151 0.115 0.422 108 N N -3.295 115.335 118.700 -0.115 0.000 2.494 108 N HA -0.086 4.610 4.740 -0.074 0.000 0.182 108 N C -0.281 175.173 175.510 -0.094 0.000 1.076 108 N CA 0.182 53.173 53.050 -0.099 0.000 0.908 108 N CB 0.943 39.361 38.487 -0.117 0.000 0.967 108 N HN -0.627 7.555 8.380 -0.146 0.111 0.449 109 G N -0.304 108.427 108.800 -0.115 0.000 2.291 109 G HA2 -0.374 3.564 3.960 -0.096 0.000 0.271 109 G HA3 -0.374 3.549 3.960 -0.062 0.000 0.271 109 G C -1.077 173.763 174.900 -0.100 0.000 1.099 109 G CA 0.200 45.245 45.100 -0.092 0.000 0.919 109 G HN -0.001 7.982 8.290 -0.141 0.223 0.496 110 E N -0.238 119.858 120.200 -0.172 0.000 2.593 110 E HA 0.343 4.650 4.350 -0.071 0.000 0.232 110 E C -2.552 173.874 176.600 -0.290 0.000 1.026 110 E CA -3.597 52.702 56.400 -0.168 0.000 0.772 110 E CB 0.887 30.475 29.700 -0.187 0.000 1.310 110 E HN -0.601 7.620 8.360 -0.231 0.000 0.413 111 P HA 0.002 4.315 4.420 -0.179 0.000 0.266 111 P C 0.116 177.347 177.300 -0.114 0.000 1.195 111 P CA -0.319 62.712 63.100 -0.116 0.000 0.768 111 P CB 0.749 32.485 31.700 0.059 0.000 0.838 112 F N 1.727 121.682 119.950 0.008 0.000 2.134 112 F HA -0.448 4.094 4.527 0.025 0.000 0.299 112 F C 2.017 177.857 175.800 0.065 0.000 1.097 112 F CA 4.665 62.681 58.000 0.027 0.000 1.264 112 F CB -0.560 38.447 39.000 0.012 0.000 1.001 112 F HN 0.358 8.838 8.300 0.300 0.000 0.479 113 A N -0.763 122.228 122.820 0.286 0.000 1.877 113 A HA -0.413 3.964 4.320 0.095 0.000 0.216 113 A C 1.814 179.602 177.584 0.340 0.000 1.186 113 A CA 3.433 55.611 52.037 0.235 0.000 0.620 113 A CB -0.661 18.515 19.000 0.293 0.000 0.822 113 A HN -0.184 8.161 8.150 0.336 0.007 0.443 114 D N -0.629 119.957 120.400 0.311 0.000 2.117 114 D HA -0.261 4.631 4.640 0.420 0.000 0.198 114 D C 2.140 178.604 176.300 0.272 0.000 0.982 114 D CA 3.271 57.460 54.000 0.314 0.000 0.828 114 D CB -0.413 40.505 40.800 0.196 0.000 0.967 114 D HN 0.029 8.547 8.370 0.247 0.000 0.464 115 F N 1.697 121.678 119.950 0.053 0.000 2.146 115 F HA -0.388 4.165 4.527 0.043 0.000 0.298 115 F C 1.228 177.005 175.800 -0.038 0.000 1.096 115 F CA 3.586 61.574 58.000 -0.021 0.000 1.275 115 F CB 0.397 39.290 39.000 -0.178 0.000 1.008 115 F HN -0.005 8.457 8.300 0.270 0.000 0.480 116 V N 0.189 120.155 119.914 0.086 0.000 2.295 116 V HA -0.647 3.378 4.120 -0.158 0.000 0.246 116 V C 1.558 177.633 176.094 -0.031 0.000 1.049 116 V CA 5.437 67.699 62.300 -0.064 0.000 1.024 116 V CB -0.113 31.657 31.823 -0.089 0.000 0.648 116 V HN 0.585 8.768 8.190 0.204 0.130 0.447 117 W N -2.040 119.313 121.300 0.088 0.000 2.342 117 W HA -0.443 4.259 4.660 0.070 0.000 0.297 117 W C 1.992 178.574 176.519 0.105 0.000 1.213 117 W CA 3.585 60.986 57.345 0.094 0.000 1.251 117 W CB -0.103 29.439 29.460 0.136 0.000 1.136 117 W HN 0.200 8.481 8.180 0.168 0.000 0.526 118 S N -1.113 114.756 115.700 0.281 0.000 2.382 118 S HA -0.326 4.266 4.470 0.204 0.000 0.228 118 S C 2.339 177.060 174.600 0.202 0.000 1.027 118 S CA 3.623 61.924 58.200 0.168 0.000 0.991 118 S CB -0.383 62.811 63.200 -0.010 0.000 0.823 118 S HN -0.327 8.004 8.310 0.211 0.106 0.469 119 F N 0.234 120.088 119.950 -0.161 0.000 2.234 119 F HA -0.192 4.259 4.527 -0.126 0.000 0.299 119 F C 0.983 176.780 175.800 -0.006 0.000 1.087 119 F CA 2.093 60.029 58.000 -0.107 0.000 1.340 119 F CB 0.030 38.976 39.000 -0.091 0.000 1.031 119 F HN -0.751 7.583 8.300 0.230 0.104 0.500 120 V N -2.756 117.296 119.914 0.230 0.000 3.331 120 V HA -0.014 4.180 4.120 0.123 0.000 0.332 120 V C -1.295 174.915 176.094 0.193 0.000 1.341 120 V CA -1.408 60.995 62.300 0.172 0.000 1.218 120 V CB -0.074 31.833 31.823 0.140 0.000 1.152 120 V HN -0.735 7.495 8.190 0.257 0.114 0.445 121 N N 0.813 119.619 118.700 0.177 0.000 2.754 121 N HA -0.424 4.394 4.740 0.130 0.000 0.248 121 N C -0.862 174.801 175.510 0.254 0.000 1.093 121 N CA 0.909 54.055 53.050 0.161 0.000 0.699 121 N CB -1.922 36.626 38.487 0.101 0.000 1.016 121 N HN -0.222 8.055 8.380 0.157 0.197 0.552 122 H N -5.428 113.783 119.070 0.236 0.000 2.684 122 H HA -0.544 4.291 4.556 0.416 -0.029 0.309 122 H C -1.511 173.847 175.328 0.051 0.000 1.102 122 H CA 2.206 58.368 56.048 0.190 0.000 1.147 122 H CB -0.671 29.104 29.762 0.021 0.000 1.391 122 H HN 0.671 9.074 8.280 0.406 0.121 0.398 123 Q N -1.789 118.089 119.800 0.131 0.000 2.375 123 Q HA 0.380 4.659 4.340 -0.102 0.000 0.271 123 Q C -2.581 173.515 176.000 0.159 0.000 1.074 123 Q CA -3.363 52.464 55.803 0.040 0.000 0.808 123 Q CB 2.919 31.699 28.738 0.070 0.000 1.327 123 Q HN -0.722 7.683 8.270 0.277 0.032 0.441 124 P HA -0.064 4.530 4.420 0.291 0.000 0.271 124 P C -1.247 176.090 177.300 0.063 0.000 1.218 124 P CA -0.440 62.741 63.100 0.135 0.000 0.780 124 P CB 0.638 32.363 31.700 0.042 0.000 0.901 125 Q N 1.309 121.124 119.800 0.026 0.000 2.274 125 Q HA 0.377 4.721 4.340 0.007 0.000 0.260 125 Q C -1.209 174.753 176.000 -0.064 0.000 0.974 125 Q CA -1.673 54.122 55.803 -0.014 0.000 0.876 125 Q CB 2.680 31.403 28.738 -0.024 0.000 1.297 125 Q HN 0.035 8.319 8.270 0.022 0.000 0.446 126 M N 1.634 121.203 119.600 -0.053 0.000 2.530 126 M HA 0.220 4.589 4.480 -0.186 0.000 0.307 126 M C -1.658 174.602 176.300 -0.067 0.000 1.161 126 M CA -0.346 54.896 55.300 -0.097 0.000 0.903 126 M CB 3.086 35.667 32.600 -0.032 0.000 1.711 126 M HN 0.250 8.528 8.290 -0.021 0.000 0.451 127 T N 2.913 117.391 114.554 -0.126 0.000 2.916 127 T HA 0.269 4.633 4.350 0.023 0.000 0.292 127 T C -1.186 173.566 174.700 0.086 0.000 1.055 127 T CA -1.451 60.638 62.100 -0.018 0.000 1.009 127 T CB 1.495 70.353 68.868 -0.017 0.000 1.118 127 T HN -0.087 7.977 8.240 -0.294 0.000 0.497 128 Q N 2.901 122.787 119.800 0.144 0.000 2.333 128 Q HA 0.203 4.773 4.340 0.384 0.000 0.365 128 Q C -1.469 174.626 176.000 0.158 0.000 0.882 128 Q CA -0.856 55.079 55.803 0.220 0.000 1.124 128 Q CB 0.345 29.179 28.738 0.160 0.000 1.345 128 Q HN 0.121 8.452 8.270 0.102 0.000 0.409 129 A N 0.351 123.265 122.820 0.156 0.000 2.322 129 A HA 0.151 4.620 4.320 0.090 -0.095 0.269 129 A C -0.439 177.217 177.584 0.120 0.000 1.094 129 A CA -0.668 51.439 52.037 0.118 0.000 0.807 129 A CB 1.549 20.619 19.000 0.116 0.000 1.047 129 A HN -0.361 7.889 8.150 0.167 0.000 0.487 130 T N 1.922 116.522 114.554 0.077 0.000 3.023 130 T HA 0.060 4.461 4.350 0.084 0.000 0.249 130 T C -0.062 174.660 174.700 0.038 0.000 1.050 130 T CA 1.061 63.199 62.100 0.063 0.000 1.088 130 T CB 1.019 69.911 68.868 0.039 0.000 0.946 130 T HN 0.608 9.283 8.240 0.059 -0.399 0.480 131 T N 2.074 116.638 114.554 0.016 0.000 2.907 131 T HA 0.218 4.542 4.350 -0.042 0.000 0.292 131 T C -0.288 174.374 174.700 -0.064 0.000 1.043 131 T CA -1.485 60.596 62.100 -0.032 0.000 1.003 131 T CB 2.982 71.826 68.868 -0.039 0.000 1.084 131 T HN -0.861 7.560 8.240 0.024 -0.167 0.483 132 L N 2.870 123.994 121.223 -0.164 0.000 2.127 132 L HA -0.317 3.882 4.340 -0.235 0.000 0.211 132 L C 1.893 178.675 176.870 -0.147 0.000 1.089 132 L CA 2.911 57.591 54.840 -0.267 0.000 0.757 132 L CB -0.285 41.454 42.059 -0.533 0.000 0.899 132 L HN 0.572 8.690 8.230 -0.185 0.000 0.434 133 S N -2.488 113.144 115.700 -0.114 0.000 2.383 133 S HA -0.310 4.113 4.470 -0.078 0.000 0.229 133 S C 1.222 175.801 174.600 -0.036 0.000 1.030 133 S CA 2.376 60.533 58.200 -0.071 0.000 1.002 133 S CB -0.198 62.967 63.200 -0.058 0.000 0.829 133 S HN -0.106 8.117 8.310 -0.121 0.015 0.467 134 E N -0.730 119.459 120.200 -0.019 0.000 2.153 134 E HA -0.212 4.140 4.350 0.002 0.000 0.194 134 E C 0.265 176.880 176.600 0.025 0.000 0.988 134 E CA 1.236 57.640 56.400 0.007 0.000 0.811 134 E CB 0.255 29.968 29.700 0.021 0.000 0.746 134 E HN -0.716 7.531 8.360 -0.026 0.097 0.466 135 I N 1.212 121.809 120.570 0.044 0.000 2.505 135 I HA -0.056 4.176 4.170 0.103 0.000 0.287 135 I C -1.846 174.290 176.117 0.032 0.000 1.104 135 I CA -1.867 59.490 61.300 0.096 0.000 1.387 135 I CB -0.207 37.922 38.000 0.215 0.000 1.404 135 I HN -0.877 7.239 8.210 0.028 0.111 0.528 136 P HA 0.220 4.589 4.420 -0.085 0.000 0.285 136 P C -0.212 176.903 177.300 -0.308 0.000 1.259 136 P CA -0.929 62.115 63.100 -0.093 0.000 0.794 136 P CB 1.026 32.700 31.700 -0.044 0.000 0.940 137 T N 0.120 114.434 114.554 -0.399 0.000 3.107 137 T HA -0.074 3.119 4.350 -1.929 0.000 0.249 137 T C -0.153 174.290 174.700 -0.428 0.000 1.096 137 T CA -0.281 61.327 62.100 -0.821 0.000 1.012 137 T CB -0.214 68.392 68.868 -0.438 0.000 0.977 137 T HN 0.196 8.297 8.240 -0.232 0.000 0.527 138 S N 2.083 117.667 115.700 -0.193 0.000 2.577 138 S HA 0.223 4.687 4.470 -0.009 0.000 0.294 138 S C -0.739 173.864 174.600 0.005 0.000 1.161 138 S CA -1.431 56.741 58.200 -0.046 0.000 1.143 138 S CB -0.306 62.881 63.200 -0.023 0.000 0.991 138 S HN -0.489 7.647 8.310 -0.179 0.067 0.475 139 T N 4.650 119.245 114.554 0.068 0.000 2.912 139 T HA 0.643 5.029 4.350 0.059 0.000 0.288 139 T C -0.860 173.894 174.700 0.090 0.000 1.030 139 T CA -4.340 57.811 62.100 0.087 0.000 1.020 139 T CB 1.542 70.491 68.868 0.136 0.000 1.056 139 T HN -0.272 8.032 8.240 0.106 0.000 0.480 140 P HA -0.223 4.231 4.420 0.057 0.000 0.216 140 P C 0.921 178.276 177.300 0.092 0.000 1.150 140 P CA 2.439 65.576 63.100 0.061 0.000 0.843 140 P CB -0.220 31.500 31.700 0.032 0.000 0.787 141 A N -1.760 121.125 122.820 0.109 0.000 1.872 141 A HA -0.238 4.196 4.320 0.189 0.000 0.214 141 A C 1.968 179.686 177.584 0.224 0.000 1.187 141 A CA 2.958 55.097 52.037 0.170 0.000 0.614 141 A CB -0.874 18.206 19.000 0.134 0.000 0.826 141 A HN -0.369 7.821 8.150 0.094 0.017 0.442 142 S N -1.197 114.617 115.700 0.190 0.000 2.356 142 S HA -0.408 4.202 4.470 0.233 0.000 0.223 142 S C 1.831 176.551 174.600 0.201 0.000 1.032 142 S CA 3.530 61.859 58.200 0.215 0.000 1.005 142 S CB -0.126 63.222 63.200 0.247 0.000 0.867 142 S HN -0.255 8.155 8.310 0.166 0.000 0.449 143 D N 1.534 122.033 120.400 0.165 0.000 2.117 143 D HA -0.315 4.404 4.640 0.132 0.000 0.197 143 D C 1.721 178.127 176.300 0.176 0.000 0.987 143 D CA 2.956 57.041 54.000 0.141 0.000 0.829 143 D CB -0.092 40.769 40.800 0.101 0.000 0.961 143 D HN 0.189 8.648 8.370 0.149 0.000 0.460 144 A N -0.544 122.402 122.820 0.211 0.000 1.930 144 A HA -0.159 4.303 4.320 0.236 0.000 0.217 144 A C 2.081 179.972 177.584 0.512 0.000 1.175 144 A CA 2.836 55.055 52.037 0.303 0.000 0.627 144 A CB -0.508 18.606 19.000 0.190 0.000 0.815 144 A HN -0.178 7.974 8.150 0.186 0.109 0.443 145 L N -1.284 120.214 121.223 0.457 0.000 2.046 145 L HA -0.403 4.040 4.340 0.173 0.000 0.208 145 L C 1.602 178.585 176.870 0.188 0.000 1.077 145 L CA 3.041 58.051 54.840 0.285 0.000 0.747 145 L CB -0.172 42.026 42.059 0.231 0.000 0.896 145 L HN 0.522 8.873 8.230 0.396 0.116 0.432 146 S N -0.559 115.249 115.700 0.179 0.000 2.368 146 S HA -0.379 4.142 4.470 0.084 0.000 0.225 146 S C 2.035 176.709 174.600 0.124 0.000 1.030 146 S CA 3.726 61.998 58.200 0.120 0.000 0.999 146 S CB -0.198 63.068 63.200 0.110 0.000 0.844 146 S HN -0.099 8.332 8.310 0.202 0.000 0.459 147 K N 1.369 121.866 120.400 0.161 0.000 2.097 147 K HA -0.289 4.096 4.320 0.108 0.000 0.206 147 K C 1.885 178.580 176.600 0.159 0.000 1.049 147 K CA 2.575 58.951 56.287 0.149 0.000 0.933 147 K CB -0.312 32.288 32.500 0.167 0.000 0.717 147 K HN -0.734 7.629 8.250 0.189 0.000 0.442 148 A N -0.915 122.036 122.820 0.218 0.000 1.877 148 A HA -0.206 4.214 4.320 0.166 0.000 0.216 148 A C 2.545 180.152 177.584 0.038 0.000 1.186 148 A CA 2.981 55.105 52.037 0.144 0.000 0.620 148 A CB -0.810 18.273 19.000 0.138 0.000 0.822 148 A HN -0.369 7.859 8.150 0.285 0.093 0.443 149 L N -2.574 118.697 121.223 0.079 0.000 2.131 149 L HA -0.445 4.052 4.340 0.262 0.000 0.210 149 L C 2.182 179.178 176.870 0.210 0.000 1.092 149 L CA 2.585 57.541 54.840 0.194 0.000 0.759 149 L CB -0.660 41.476 42.059 0.128 0.000 0.903 149 L HN -0.086 8.195 8.230 0.084 0.000 0.435 150 K N -0.112 120.353 120.400 0.108 0.000 2.103 150 K HA -0.321 4.027 4.320 0.046 0.000 0.207 150 K C 2.785 179.394 176.600 0.014 0.000 1.048 150 K CA 2.988 59.308 56.287 0.055 0.000 0.930 150 K CB -0.331 32.196 32.500 0.046 0.000 0.716 150 K HN 0.206 8.422 8.250 0.099 0.094 0.444 151 K N -1.349 119.061 120.400 0.018 0.000 2.063 151 K HA -0.268 4.040 4.320 -0.020 0.000 0.208 151 K C 2.065 178.618 176.600 -0.079 0.000 1.048 151 K CA 2.558 58.831 56.287 -0.023 0.000 0.928 151 K CB -0.127 32.362 32.500 -0.019 0.000 0.713 151 K HN -0.497 7.660 8.250 0.044 0.120 0.442 152 R N -4.685 115.764 120.500 -0.085 0.000 2.193 152 R HA -0.200 4.019 4.340 -0.203 0.000 0.229 152 R C 0.243 176.294 176.300 -0.416 0.000 1.110 152 R CA 0.358 56.317 56.100 -0.235 0.000 0.988 152 R CB 0.157 30.361 30.300 -0.159 0.000 0.871 152 R HN -0.509 7.662 8.270 -0.002 0.097 0.458 153 G N -3.138 105.484 108.800 -0.298 0.000 2.164 153 G HA2 -0.313 3.607 3.960 -0.153 0.000 0.212 153 G HA3 -0.313 3.483 3.960 -0.273 0.000 0.212 153 G C -0.789 173.903 174.900 -0.347 0.000 1.031 153 G CA -0.308 44.629 45.100 -0.272 0.000 0.730 153 G HN -0.369 7.644 8.290 -0.155 0.184 0.501 154 F N 0.414 120.305 119.950 -0.098 0.000 2.384 154 F HA 0.136 4.563 4.527 -0.168 0.000 0.338 154 F C -0.135 175.424 175.800 -0.402 0.000 1.103 154 F CA -0.240 57.621 58.000 -0.232 0.000 1.157 154 F CB 0.787 39.635 39.000 -0.254 0.000 1.167 154 F HN -1.011 7.241 8.300 -0.080 0.000 0.529 155 K N 2.294 122.437 120.400 -0.429 0.000 2.240 155 K HA 0.065 4.259 4.320 -0.210 0.000 0.237 155 K C -1.144 174.788 176.600 -1.114 0.000 1.027 155 K CA -0.816 55.211 56.287 -0.434 0.000 0.937 155 K CB 1.455 33.972 32.500 0.028 0.000 1.171 155 K HN 0.014 8.033 8.250 -0.386 0.000 0.479 156 F N -7.533 112.427 119.950 0.017 0.000 2.970 156 F HA -0.255 4.266 4.527 -0.010 0.000 0.251 156 F C -1.104 174.684 175.800 -0.020 0.000 0.993 156 F CA 0.076 58.067 58.000 -0.015 0.000 0.869 156 F CB -2.559 36.409 39.000 -0.052 0.000 0.762 156 F HN 0.098 8.438 8.300 0.068 0.000 0.817 157 V N -6.719 113.093 119.914 -0.169 0.000 3.121 157 V HA 0.193 4.245 4.120 -0.115 0.000 0.344 157 V C 0.115 176.206 176.094 -0.005 0.000 1.390 157 V CA -1.567 60.660 62.300 -0.123 0.000 1.177 157 V CB 0.013 31.743 31.823 -0.156 0.000 1.163 157 V HN -0.434 7.666 8.190 -0.144 0.004 0.484 158 G N 0.425 109.246 108.800 0.034 0.000 2.583 158 G HA2 -0.212 3.777 3.960 0.048 0.000 0.230 158 G HA3 -0.212 3.787 3.960 0.066 0.000 0.230 158 G C 0.462 175.408 174.900 0.077 0.000 1.249 158 G CA 0.623 45.757 45.100 0.057 0.000 0.857 158 G HN -0.269 7.976 8.290 0.046 0.072 0.569 159 T N -0.704 113.901 114.554 0.084 0.000 2.929 159 T HA -0.276 4.149 4.350 0.124 0.000 0.271 159 T C 1.553 176.337 174.700 0.140 0.000 1.085 159 T CA 3.156 65.323 62.100 0.112 0.000 1.125 159 T CB -0.072 68.855 68.868 0.098 0.000 0.874 159 T HN 0.267 8.550 8.240 0.072 0.000 0.494 160 T N 3.826 118.454 114.554 0.122 0.000 2.777 160 T HA -0.234 4.211 4.350 0.157 0.000 0.266 160 T C 1.773 176.589 174.700 0.194 0.000 1.040 160 T CA 4.791 66.981 62.100 0.151 0.000 1.141 160 T CB -0.216 68.722 68.868 0.117 0.000 0.868 160 T HN -0.052 8.208 8.240 0.098 0.039 0.444 161 I N 1.951 122.610 120.570 0.148 0.000 2.315 161 I HA -0.358 3.892 4.170 0.133 0.000 0.248 161 I C 1.873 178.092 176.117 0.171 0.000 1.117 161 I CA 3.319 64.698 61.300 0.133 0.000 1.404 161 I CB -0.224 37.829 38.000 0.090 0.000 1.071 161 I HN -0.676 7.607 8.210 0.121 0.000 0.419 162 C N -0.964 118.448 119.300 0.188 0.000 2.429 162 C HA -0.532 4.115 4.460 0.312 0.000 0.277 162 C C 1.396 176.554 174.990 0.281 0.000 1.262 162 C CA 5.843 65.025 59.018 0.272 0.000 1.733 162 C CB -0.327 27.551 27.740 0.230 0.000 2.010 162 C HN -0.546 7.686 8.230 0.159 0.094 0.483 163 Y N 0.912 121.276 120.300 0.106 0.000 2.224 163 Y HA -0.409 4.118 4.550 -0.038 0.000 0.289 163 Y C 0.833 176.735 175.900 0.004 0.000 1.146 163 Y CA 3.086 61.201 58.100 0.025 0.000 1.182 163 Y CB 0.013 38.510 38.460 0.060 0.000 0.983 163 Y HN -0.396 8.087 8.280 0.337 0.000 0.524 164 S N 0.425 116.233 115.700 0.181 0.000 2.382 164 S HA -0.468 4.153 4.470 0.251 0.000 0.228 164 S C 2.044 176.711 174.600 0.112 0.000 1.027 164 S CA 3.374 61.704 58.200 0.216 0.000 0.991 164 S CB -0.265 63.103 63.200 0.280 0.000 0.823 164 S HN -0.412 7.978 8.310 0.284 0.091 0.469 165 F N 3.366 123.297 119.950 -0.031 0.000 2.134 165 F HA -0.204 4.285 4.527 -0.063 0.000 0.299 165 F C 0.654 176.374 175.800 -0.133 0.000 1.097 165 F CA 2.130 60.079 58.000 -0.085 0.000 1.264 165 F CB -0.194 38.728 39.000 -0.131 0.000 1.001 165 F HN -0.517 7.812 8.300 0.212 0.098 0.479 166 M N -0.672 118.007 119.600 -1.535 0.000 2.159 166 M HA -0.538 2.791 4.480 -1.918 0.000 0.263 166 M C 2.204 177.997 176.300 -0.845 0.000 1.063 166 M CA 3.913 58.325 55.300 -1.482 0.000 1.110 166 M CB -0.670 31.270 32.600 -1.101 0.000 1.374 166 M HN -0.526 7.126 8.290 -1.064 0.000 0.411 167 Q N 0.127 119.508 119.800 -0.699 0.000 2.050 167 Q HA -0.390 3.499 4.340 -0.752 0.000 0.202 167 Q C 1.975 177.666 176.000 -0.515 0.000 0.980 167 Q CA 3.401 58.825 55.803 -0.630 0.000 0.840 167 Q CB 0.116 28.556 28.738 -0.497 0.000 0.898 167 Q HN -0.354 7.407 8.270 -0.674 0.105 0.424 168 A N -2.210 120.538 122.820 -0.120 0.000 1.935 168 A HA -0.138 4.181 4.320 -0.002 0.000 0.214 168 A C 2.549 180.093 177.584 -0.067 0.000 1.178 168 A CA 2.634 54.720 52.037 0.081 0.000 0.640 168 A CB -0.665 18.630 19.000 0.491 0.000 0.825 168 A HN -0.483 7.675 8.150 0.012 0.000 0.447 169 C N -0.895 118.334 119.300 -0.118 0.000 2.425 169 C HA -0.357 4.278 4.460 0.028 -0.159 0.277 169 C C 0.780 175.667 174.990 -0.171 0.000 1.280 169 C CA 2.332 61.303 59.018 -0.078 0.000 1.744 169 C CB -0.171 27.546 27.740 -0.038 0.000 1.989 169 C HN 0.295 8.311 8.230 -0.180 0.106 0.491 170 G N -2.243 106.369 108.800 -0.314 0.000 2.159 170 G HA2 -0.403 3.325 3.960 -0.407 0.000 0.227 170 G HA3 -0.403 3.437 3.960 -0.229 -0.017 0.227 170 G C 0.066 174.809 174.900 -0.261 0.000 0.986 170 G CA 0.632 45.547 45.100 -0.307 0.000 0.651 170 G HN -0.260 7.769 8.290 -0.413 0.013 0.523 171 L N -0.746 120.279 121.223 -0.331 0.000 2.129 171 L HA -0.272 3.954 4.340 -0.189 0.000 0.212 171 L C -0.316 176.417 176.870 -0.227 0.000 1.087 171 L CA 2.336 56.994 54.840 -0.304 0.000 0.757 171 L CB 0.700 42.465 42.059 -0.489 0.000 0.896 171 L HN -0.510 7.419 8.230 -0.423 0.048 0.434 172 V N -9.759 109.970 119.914 -0.308 0.000 2.769 172 V HA 0.629 4.854 4.120 -0.185 -0.216 0.312 172 V C -1.341 174.555 176.094 -0.331 0.000 1.061 172 V CA -3.627 58.516 62.300 -0.262 0.000 0.931 172 V CB 2.568 34.238 31.823 -0.254 0.000 1.010 172 V HN -0.969 6.964 8.190 -0.401 0.017 0.433 173 N N 4.293 122.792 118.700 -0.335 0.000 2.415 173 N HA 0.159 4.596 4.740 -0.505 0.000 0.246 173 N C -1.252 173.921 175.510 -0.562 0.000 1.078 173 N CA -0.687 52.062 53.050 -0.500 0.000 0.942 173 N CB 0.198 38.348 38.487 -0.561 0.000 1.140 173 N HN 0.050 8.268 8.380 -0.269 0.000 0.501 174 D N 4.022 124.132 120.400 -0.483 0.000 2.621 174 D HA 0.317 4.854 4.640 -0.173 0.000 0.255 174 D C -1.068 175.255 176.300 0.038 0.000 1.122 174 D CA -1.398 52.480 54.000 -0.204 0.000 1.096 174 D CB 3.383 44.114 40.800 -0.115 0.000 1.282 174 D HN -0.465 7.572 8.370 -0.555 0.000 0.619 175 H N -4.945 114.190 119.070 0.108 0.000 3.105 175 H HA -0.183 4.735 4.556 0.603 0.000 0.212 175 H C -1.691 173.853 175.328 0.359 0.000 1.167 175 H CA -0.497 55.754 56.048 0.338 0.000 1.111 175 H CB 0.256 30.174 29.762 0.259 0.000 1.198 175 H HN 0.283 8.817 8.280 0.424 0.000 0.294 176 V N -6.285 113.884 119.914 0.425 0.000 3.868 176 V HA -0.445 4.047 4.120 0.281 -0.204 0.549 176 V C -1.473 174.854 176.094 0.388 0.000 0.697 176 V CA 1.152 63.647 62.300 0.324 0.000 2.118 176 V CB 0.010 31.961 31.823 0.214 0.000 2.500 176 V HN -0.426 8.003 8.190 0.399 0.000 0.523 177 V N 1.530 121.597 119.914 0.255 0.000 2.667 177 V HA -0.208 3.929 4.120 0.028 0.000 0.252 177 V C 1.535 177.669 176.094 0.066 0.000 1.065 177 V CA 1.897 64.257 62.300 0.101 0.000 1.083 177 V CB 0.080 31.913 31.823 0.016 0.000 0.692 177 V HN -0.301 8.009 8.190 0.200 0.000 0.468 178 G N -0.932 107.929 108.800 0.102 0.000 2.442 178 G HA2 -0.362 3.625 3.960 0.044 0.000 0.219 178 G HA3 -0.362 3.646 3.960 0.079 0.000 0.219 178 G C -0.716 174.251 174.900 0.113 0.000 1.141 178 G CA 1.469 46.617 45.100 0.080 0.000 0.763 178 G HN -0.249 8.091 8.290 0.120 0.022 0.554 179 C N 2.062 121.480 119.300 0.198 0.000 2.665 179 C HA -0.169 4.554 4.460 0.209 -0.138 0.397 179 C C 1.598 176.707 174.990 0.199 0.000 1.395 179 C CA -0.337 58.835 59.018 0.257 0.000 1.462 179 C CB -2.491 25.525 27.740 0.459 0.000 2.323 179 C HN -0.395 7.969 8.230 0.238 0.009 0.617 180 C N 6.164 125.542 119.300 0.129 0.000 2.396 180 C HA -0.389 4.092 4.460 0.035 0.000 0.279 180 C C 0.704 175.758 174.990 0.105 0.000 1.229 180 C CA 3.303 62.368 59.018 0.079 0.000 1.801 180 C CB -0.539 27.238 27.740 0.061 0.000 2.050 180 C HN 0.528 8.827 8.230 0.115 0.000 0.491 181 C N -1.987 117.424 119.300 0.186 0.000 2.403 181 C HA -0.292 4.248 4.460 0.132 0.000 0.279 181 C C 0.094 175.174 174.990 0.150 0.000 1.269 181 C CA 2.442 61.568 59.018 0.180 0.000 1.774 181 C CB 0.250 28.173 27.740 0.304 0.000 1.993 181 C HN -0.370 7.968 8.230 0.235 0.033 0.496 182 Y N 1.306 121.622 120.300 0.026 0.000 2.919 182 Y HA 0.302 4.815 4.550 -0.063 0.000 0.341 182 Y C -2.484 173.423 175.900 0.011 0.000 1.045 182 Y CA -3.283 54.802 58.100 -0.025 0.000 1.218 182 Y CB 0.329 38.760 38.460 -0.047 0.000 1.137 182 Y HN 0.214 8.495 8.280 0.255 0.152 0.577 183 P HA 0.165 4.412 4.420 -0.288 0.000 0.214 183 P C -0.457 176.571 177.300 -0.453 0.000 1.167 183 P CA 0.765 63.679 63.100 -0.311 0.000 0.882 183 P CB 0.972 32.598 31.700 -0.125 0.000 0.777 184 G N -1.701 106.921 108.800 -0.298 0.000 2.142 184 G HA2 -0.273 3.663 3.960 -0.039 0.000 0.225 184 G HA3 -0.273 3.517 3.960 -0.282 0.000 0.225 184 G C -0.659 174.182 174.900 -0.098 0.000 1.015 184 G CA -0.062 44.929 45.100 -0.182 0.000 0.716 184 G HN 0.283 8.474 8.290 -0.165 0.000 0.508 185 N N -4.496 114.157 118.700 -0.079 0.000 2.756 185 N HA -0.335 4.380 4.740 -0.041 0.000 0.248 185 N C -1.259 174.218 175.510 -0.055 0.000 1.062 185 N CA 1.081 54.102 53.050 -0.049 0.000 0.696 185 N CB -0.252 38.219 38.487 -0.027 0.000 0.946 185 N HN 0.144 8.449 8.380 -0.085 0.024 0.548 186 K N -0.646 119.709 120.400 -0.075 0.000 2.562 186 K HA 0.299 4.590 4.320 -0.047 0.000 0.206 186 K C -2.351 174.218 176.600 -0.052 0.000 1.033 186 K CA -2.452 53.797 56.287 -0.064 0.000 1.029 186 K CB 0.748 33.196 32.500 -0.087 0.000 1.393 186 K HN -0.310 7.883 8.250 -0.095 0.000 0.539 187 P HA 0.000 4.403 4.420 -0.029 0.000 0.216 187 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 187 P CB 0.000 31.688 31.700 -0.020 0.000 0.726