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 1c20_21_A DATA FIRST_RESID 3 DATA SEQUENCE GWSFEEQFKQ VRQLYEINDD PKRKEFLDDL FSFMQKRGTP INRLPIMAKS DATA SEQUENCE VLDLYELYNL VIARGGLVDV INKKLWQEII KGLHLPSSIT SAAFTLRTQY DATA SEQUENCE MKYLYPYECE KKNLSTPAEL QAAIDGNR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 4.004 3.960 0.073 0.000 0.244 3 G C 0.000 174.988 174.900 0.146 0.000 0.946 3 G CA 0.000 45.160 45.100 0.099 0.000 0.502 4 W N 5.285 126.574 121.300 -0.018 0.000 2.581 4 W HA 0.408 5.292 4.660 -0.029 -0.241 0.359 4 W C -1.025 175.462 176.519 -0.054 0.000 1.167 4 W CA -2.338 54.983 57.345 -0.040 0.000 1.517 4 W CB 0.469 29.892 29.460 -0.061 0.000 1.519 4 W HN -0.139 8.219 8.180 0.296 0.000 0.431 5 S N 5.034 120.516 115.700 -0.363 0.000 2.672 5 S HA 0.053 4.324 4.470 -0.333 0.000 0.276 5 S C 0.609 174.806 174.600 -0.671 0.000 1.207 5 S CA -1.234 56.729 58.200 -0.395 0.000 1.002 5 S CB 2.179 65.288 63.200 -0.152 0.000 0.998 5 S HN -0.409 7.947 8.310 -0.185 -0.157 0.542 6 F N 2.402 122.042 119.950 -0.516 0.000 2.146 6 F HA -0.367 3.754 4.527 -0.676 0.000 0.298 6 F C 1.630 177.275 175.800 -0.257 0.000 1.096 6 F CA 3.941 61.663 58.000 -0.464 0.000 1.275 6 F CB 0.287 39.101 39.000 -0.311 0.000 1.008 6 F HN 0.502 8.722 8.300 -0.132 0.000 0.480 7 E N -3.021 117.186 120.200 0.010 0.000 2.333 7 E HA -0.383 4.015 4.350 0.080 0.000 0.198 7 E C 1.928 178.585 176.600 0.094 0.000 1.007 7 E CA 2.459 58.888 56.400 0.049 0.000 0.845 7 E CB -1.274 28.424 29.700 -0.004 0.000 0.766 7 E HN 0.603 8.957 8.360 -0.010 0.000 0.507 8 E N 0.516 120.705 120.200 -0.019 0.000 2.047 8 E HA -0.373 4.015 4.350 0.063 0.000 0.191 8 E C 1.890 178.554 176.600 0.107 0.000 0.987 8 E CA 2.780 59.198 56.400 0.029 0.000 0.799 8 E CB -0.243 29.446 29.700 -0.020 0.000 0.752 8 E HN -0.473 7.620 8.360 -0.136 0.186 0.449 9 Q N -0.954 118.906 119.800 0.101 0.000 2.224 9 Q HA -0.234 4.486 4.340 0.219 -0.249 0.203 9 Q C 2.288 178.398 176.000 0.184 0.000 0.970 9 Q CA 2.324 58.243 55.803 0.193 0.000 0.865 9 Q CB -0.139 28.733 28.738 0.224 0.000 0.922 9 Q HN -0.618 7.624 8.270 -0.048 0.000 0.445 10 F N 0.439 120.405 119.950 0.026 0.000 2.060 10 F HA -0.362 4.146 4.527 -0.031 0.000 0.295 10 F C 1.823 177.616 175.800 -0.010 0.000 1.120 10 F CA 3.220 61.213 58.000 -0.011 0.000 1.205 10 F CB 0.222 39.208 39.000 -0.024 0.000 0.986 10 F HN -0.643 7.692 8.300 0.293 0.141 0.470 11 K N -1.518 118.920 120.400 0.064 0.000 2.209 11 K HA -0.453 3.775 4.320 -0.154 0.000 0.204 11 K C 2.112 178.684 176.600 -0.047 0.000 1.048 11 K CA 3.133 59.396 56.287 -0.040 0.000 0.940 11 K CB -0.842 31.691 32.500 0.054 0.000 0.729 11 K HN -0.307 8.080 8.250 0.229 0.000 0.451 12 Q N -1.423 118.385 119.800 0.013 0.000 2.226 12 Q HA -0.242 4.280 4.340 0.044 -0.155 0.204 12 Q C 2.413 178.425 176.000 0.019 0.000 0.975 12 Q CA 2.488 58.316 55.803 0.042 0.000 0.866 12 Q CB -0.063 28.732 28.738 0.096 0.000 0.915 12 Q HN -0.569 7.631 8.270 0.054 0.101 0.440 13 V N -0.263 119.615 119.914 -0.060 0.000 2.453 13 V HA -0.398 3.763 4.120 0.070 0.000 0.247 13 V C 1.267 177.373 176.094 0.021 0.000 1.048 13 V CA 3.780 66.047 62.300 -0.055 0.000 1.049 13 V CB -0.367 31.264 31.823 -0.320 0.000 0.672 13 V HN 0.014 7.967 8.190 -0.124 0.164 0.457 14 R N -0.785 119.650 120.500 -0.108 0.000 2.096 14 R HA -0.427 3.899 4.340 -0.023 0.000 0.240 14 R C 1.844 178.185 176.300 0.069 0.000 1.139 14 R CA 3.574 59.650 56.100 -0.040 0.000 0.952 14 R CB -0.464 29.765 30.300 -0.119 0.000 0.854 14 R HN -0.673 7.366 8.270 -0.233 0.091 0.436 15 Q N -2.648 117.176 119.800 0.039 0.000 2.226 15 Q HA -0.259 4.110 4.340 0.048 0.000 0.204 15 Q C 2.090 178.130 176.000 0.067 0.000 0.975 15 Q CA 2.489 58.323 55.803 0.051 0.000 0.866 15 Q CB -0.661 28.101 28.738 0.039 0.000 0.915 15 Q HN -0.515 7.761 8.270 0.011 0.000 0.440 16 L N -3.045 118.224 121.223 0.077 0.000 2.201 16 L HA -0.236 4.122 4.340 0.030 0.000 0.212 16 L C 1.506 178.364 176.870 -0.021 0.000 1.105 16 L CA 2.392 57.254 54.840 0.037 0.000 0.775 16 L CB -0.188 41.905 42.059 0.057 0.000 0.913 16 L HN -0.763 7.378 8.230 0.083 0.138 0.440 17 Y N -2.455 117.869 120.300 0.040 0.000 2.347 17 Y HA -0.224 4.374 4.550 0.080 0.000 0.294 17 Y C 1.887 177.800 175.900 0.022 0.000 1.117 17 Y CA 3.186 61.310 58.100 0.041 0.000 1.184 17 Y CB 0.899 39.361 38.460 0.003 0.000 1.047 17 Y HN -0.471 7.809 8.280 0.265 0.160 0.546 18 E N -1.215 119.082 120.200 0.161 0.000 2.516 18 E HA -0.264 4.141 4.350 0.092 0.000 0.199 18 E C 1.553 178.185 176.600 0.054 0.000 1.069 18 E CA 1.616 58.069 56.400 0.089 0.000 0.876 18 E CB -0.630 29.106 29.700 0.059 0.000 0.843 18 E HN -0.197 8.262 8.360 0.164 0.000 0.530 19 I N -1.680 118.916 120.570 0.043 0.000 2.248 19 I HA -0.409 3.770 4.170 0.015 0.000 0.248 19 I C 0.663 176.785 176.117 0.008 0.000 1.107 19 I CA 2.453 63.762 61.300 0.014 0.000 1.373 19 I CB 0.248 38.243 38.000 -0.009 0.000 1.055 19 I HN -0.498 7.652 8.210 0.052 0.091 0.418 20 N N -3.363 115.347 118.700 0.016 0.000 3.355 20 N HA 0.045 4.793 4.740 0.013 0.000 0.238 20 N C -1.834 173.694 175.510 0.029 0.000 1.466 20 N CA -0.429 52.628 53.050 0.011 0.000 0.882 20 N CB 1.346 39.825 38.487 -0.013 0.000 1.406 20 N HN -0.838 7.550 8.380 0.031 0.011 0.500 21 D N -2.582 117.833 120.400 0.024 0.000 2.336 21 D HA -0.056 4.616 4.640 0.053 0.000 0.228 21 D C -0.576 175.744 176.300 0.034 0.000 1.120 21 D CA 0.110 54.131 54.000 0.036 0.000 0.839 21 D CB -0.348 40.468 40.800 0.028 0.000 0.932 21 D HN 0.087 8.465 8.370 0.014 0.000 0.509 22 D N 1.530 121.941 120.400 0.018 0.000 2.479 22 D HA -0.030 4.613 4.640 0.005 0.000 0.257 22 D C 0.036 176.361 176.300 0.042 0.000 1.230 22 D CA -1.677 52.328 54.000 0.008 0.000 0.912 22 D CB 0.571 41.350 40.800 -0.036 0.000 1.130 22 D HN -0.340 7.931 8.370 0.008 0.103 0.515 23 P HA -0.272 4.202 4.420 0.090 0.000 0.217 23 P C 1.445 178.807 177.300 0.103 0.000 1.150 23 P CA 1.680 64.827 63.100 0.077 0.000 0.832 23 P CB 0.366 32.103 31.700 0.062 0.000 0.787 24 K N -0.806 119.647 120.400 0.088 0.000 2.032 24 K HA -0.431 3.981 4.320 0.154 0.000 0.209 24 K C 2.010 178.730 176.600 0.200 0.000 1.048 24 K CA 3.892 60.259 56.287 0.133 0.000 0.927 24 K CB -0.101 32.453 32.500 0.091 0.000 0.712 24 K HN -0.107 8.364 8.250 0.057 -0.187 0.441 25 R N -1.432 119.132 120.500 0.106 0.000 2.073 25 R HA -0.320 4.180 4.340 0.266 0.000 0.234 25 R C 1.904 178.337 176.300 0.223 0.000 1.134 25 R CA 3.582 59.761 56.100 0.132 0.000 0.952 25 R CB -0.447 29.812 30.300 -0.067 0.000 0.850 25 R HN 0.019 8.639 8.270 0.026 -0.335 0.433 26 K N -1.102 119.412 120.400 0.190 0.000 2.026 26 K HA -0.364 4.167 4.320 0.351 0.000 0.208 26 K C 2.002 178.790 176.600 0.313 0.000 1.048 26 K CA 3.544 60.007 56.287 0.293 0.000 0.929 26 K CB -0.240 32.414 32.500 0.257 0.000 0.713 26 K HN -0.408 7.927 8.250 0.142 0.000 0.439 27 E N -0.775 119.571 120.200 0.243 0.000 2.077 27 E HA -0.317 4.142 4.350 0.181 0.000 0.193 27 E C 2.085 178.817 176.600 0.221 0.000 0.989 27 E CA 2.968 59.492 56.400 0.208 0.000 0.800 27 E CB -0.056 29.747 29.700 0.171 0.000 0.746 27 E HN 0.028 8.404 8.360 0.212 0.111 0.452 28 F N 1.122 121.162 119.950 0.150 0.000 2.075 28 F HA -0.352 4.236 4.527 0.101 0.000 0.297 28 F C 1.484 177.306 175.800 0.036 0.000 1.113 28 F CA 3.777 61.842 58.000 0.108 0.000 1.218 28 F CB 0.216 39.318 39.000 0.168 0.000 0.984 28 F HN 0.274 8.654 8.300 0.429 0.178 0.472 29 L N -1.211 120.158 121.223 0.243 0.000 2.017 29 L HA -0.592 3.643 4.340 -0.175 0.000 0.208 29 L C 1.763 178.778 176.870 0.241 0.000 1.073 29 L CA 3.858 58.754 54.840 0.093 0.000 0.745 29 L CB -0.711 41.324 42.059 -0.040 0.000 0.894 29 L HN 0.375 8.861 8.230 0.426 0.000 0.432 30 D N -1.111 119.507 120.400 0.365 0.000 2.149 30 D HA -0.304 4.571 4.640 0.391 0.000 0.198 30 D C 2.486 178.843 176.300 0.095 0.000 0.990 30 D CA 3.059 57.233 54.000 0.289 0.000 0.839 30 D CB -0.329 40.598 40.800 0.212 0.000 0.948 30 D HN -0.327 8.279 8.370 0.393 0.000 0.460 31 D N 0.115 120.489 120.400 -0.043 0.000 2.091 31 D HA -0.200 4.446 4.640 0.010 0.000 0.199 31 D C 2.365 178.469 176.300 -0.326 0.000 0.980 31 D CA 3.069 57.010 54.000 -0.098 0.000 0.831 31 D CB -0.116 40.642 40.800 -0.069 0.000 0.987 31 D HN -0.398 7.850 8.370 -0.040 0.098 0.460 32 L N 0.399 121.112 121.223 -0.850 0.000 1.989 32 L HA -0.324 2.728 4.340 -2.148 0.000 0.211 32 L C 1.445 177.912 176.870 -0.673 0.000 1.071 32 L CA 3.270 57.292 54.840 -1.364 0.000 0.749 32 L CB -0.361 40.726 42.059 -1.621 0.000 0.890 32 L HN 0.309 7.845 8.230 -0.975 0.109 0.431 33 F N -2.719 117.045 119.950 -0.310 0.000 2.161 33 F HA -0.353 4.090 4.527 -0.139 0.000 0.300 33 F C 2.326 178.076 175.800 -0.085 0.000 1.089 33 F CA 3.018 60.938 58.000 -0.133 0.000 1.282 33 F CB -0.991 37.998 39.000 -0.019 0.000 1.010 33 F HN 0.325 8.273 8.300 -0.413 0.104 0.485 34 S N 0.192 115.954 115.700 0.103 0.000 2.348 34 S HA -0.313 4.393 4.470 0.076 -0.191 0.221 34 S C 2.066 176.707 174.600 0.070 0.000 1.033 34 S CA 2.838 61.085 58.200 0.078 0.000 1.010 34 S CB 0.022 63.264 63.200 0.070 0.000 0.891 34 S HN -0.597 7.663 8.310 0.068 0.091 0.442 35 F N 2.966 122.880 119.950 -0.060 0.000 2.046 35 F HA -0.325 4.226 4.527 0.040 0.000 0.297 35 F C 1.365 177.171 175.800 0.010 0.000 1.123 35 F CA 3.218 61.218 58.000 0.000 0.000 1.199 35 F CB 0.476 39.508 39.000 0.053 0.000 0.972 35 F HN -0.531 7.846 8.300 0.128 0.000 0.474 36 M N -4.215 115.557 119.600 0.286 0.000 2.549 36 M HA -0.378 4.319 4.480 0.363 0.000 0.260 36 M C 1.156 177.487 176.300 0.051 0.000 1.076 36 M CA 2.645 58.076 55.300 0.218 0.000 1.090 36 M CB -0.910 31.757 32.600 0.112 0.000 1.418 36 M HN -0.462 7.960 8.290 0.219 0.000 0.486 37 Q N 0.624 120.440 119.800 0.027 0.000 2.443 37 Q HA -0.311 4.043 4.340 0.023 0.000 0.213 37 Q C 1.022 177.005 176.000 -0.028 0.000 0.982 37 Q CA 1.997 57.804 55.803 0.008 0.000 0.894 37 Q CB -0.684 28.061 28.738 0.012 0.000 0.947 37 Q HN -0.512 7.581 8.270 0.043 0.203 0.480 38 K N -2.669 117.698 120.400 -0.055 0.000 2.366 38 K HA -0.268 4.003 4.320 -0.081 0.000 0.202 38 K C 1.423 178.018 176.600 -0.008 0.000 1.045 38 K CA 2.075 58.327 56.287 -0.058 0.000 0.934 38 K CB -0.014 32.440 32.500 -0.077 0.000 0.746 38 K HN -0.692 7.422 8.250 -0.079 0.088 0.470 39 R N -5.402 115.105 120.500 0.011 0.000 2.250 39 R HA 0.063 4.409 4.340 0.010 0.000 0.194 39 R C 0.677 176.955 176.300 -0.038 0.000 0.927 39 R CA 0.344 56.449 56.100 0.008 0.000 1.052 39 R CB 1.248 31.577 30.300 0.047 0.000 1.055 39 R HN -0.503 7.700 8.270 0.009 0.073 0.537 40 G N -1.213 107.566 108.800 -0.035 0.000 2.213 40 G HA2 -0.364 3.579 3.960 -0.028 0.000 0.236 40 G HA3 -0.364 3.551 3.960 -0.074 0.000 0.236 40 G C -0.607 174.273 174.900 -0.034 0.000 0.991 40 G CA 0.356 45.428 45.100 -0.046 0.000 0.629 40 G HN 0.040 8.195 8.290 -0.022 0.122 0.517 41 T N 0.242 114.781 114.554 -0.025 0.000 2.918 41 T HA 0.482 4.872 4.350 0.067 0.000 0.286 41 T C -1.863 172.882 174.700 0.075 0.000 1.026 41 T CA -3.224 58.902 62.100 0.044 0.000 1.031 41 T CB 1.511 70.426 68.868 0.078 0.000 1.046 41 T HN -0.433 7.710 8.240 -0.041 0.073 0.479 42 P HA 0.014 4.694 4.420 0.434 0.000 0.304 42 P C -0.761 176.604 177.300 0.108 0.000 1.332 42 P CA -0.392 62.867 63.100 0.265 0.000 0.807 42 P CB 0.420 32.281 31.700 0.268 0.000 1.545 43 I N -1.985 118.683 120.570 0.163 0.000 2.395 43 I HA -0.245 3.801 4.170 -0.207 0.000 0.169 43 I C 0.821 176.992 176.117 0.089 0.000 1.410 43 I CA 0.681 61.989 61.300 0.014 0.000 0.556 43 I CB 0.822 38.872 38.000 0.083 0.000 1.889 43 I HN -0.055 8.361 8.210 0.344 0.000 1.095 44 N N 0.063 118.878 118.700 0.192 0.000 2.197 44 N HA -0.104 4.806 4.740 0.283 0.000 0.184 44 N C -0.734 174.906 175.510 0.217 0.000 1.030 44 N CA 1.794 54.988 53.050 0.239 0.000 0.851 44 N CB 1.017 39.640 38.487 0.227 0.000 1.003 44 N HN 0.196 8.694 8.380 0.197 0.000 0.430 45 R N -4.282 116.313 120.500 0.158 0.000 2.710 45 R HA 0.126 4.619 4.340 0.254 0.000 0.270 45 R C -1.689 174.686 176.300 0.125 0.000 1.021 45 R CA -0.986 55.196 56.100 0.137 0.000 0.889 45 R CB 2.771 33.047 30.300 -0.039 0.000 1.243 45 R HN -0.529 7.825 8.270 0.140 0.000 0.464 46 L N 0.779 122.084 121.223 0.136 0.000 2.488 46 L HA 0.428 4.831 4.340 0.104 0.000 0.250 46 L C -2.025 174.896 176.870 0.085 0.000 1.280 46 L CA -2.814 52.097 54.840 0.118 0.000 0.929 46 L CB 0.164 42.312 42.059 0.147 0.000 1.200 46 L HN 0.488 8.820 8.230 0.170 0.000 0.495 47 P HA 0.010 4.443 4.420 0.021 0.000 0.268 47 P C -1.297 176.029 177.300 0.044 0.000 1.205 47 P CA -0.701 62.416 63.100 0.030 0.000 0.771 47 P CB 0.436 32.142 31.700 0.009 0.000 0.858 48 I N 2.323 122.919 120.570 0.042 0.000 2.325 48 I HA -0.017 4.182 4.170 0.048 0.000 0.291 48 I C 0.125 176.263 176.117 0.036 0.000 1.019 48 I CA -2.000 59.326 61.300 0.044 0.000 1.302 48 I CB -0.458 37.569 38.000 0.045 0.000 1.401 48 I HN 0.146 8.379 8.210 0.038 0.000 0.485 49 M N 8.589 128.212 119.600 0.038 0.000 2.685 49 M HA -0.153 4.349 4.480 0.036 0.000 0.316 49 M C -0.221 176.098 176.300 0.033 0.000 1.523 49 M CA 0.435 55.758 55.300 0.037 0.000 1.472 49 M CB -1.514 31.111 32.600 0.042 0.000 1.525 49 M HN 0.349 8.596 8.290 0.041 0.068 0.471 50 A N 6.250 129.087 122.820 0.029 0.000 3.941 50 A HA -0.503 3.830 4.320 0.022 0.000 0.355 50 A C -0.120 177.479 177.584 0.025 0.000 1.675 50 A CA 2.874 54.926 52.037 0.025 0.000 0.874 50 A CB -1.811 17.203 19.000 0.023 0.000 1.486 50 A HN 0.297 8.464 8.150 0.028 0.000 0.583 51 K N 0.325 120.740 120.400 0.024 0.000 2.399 51 K HA 0.141 4.475 4.320 0.024 0.000 0.196 51 K C 0.278 176.893 176.600 0.026 0.000 1.103 51 K CA 0.002 56.303 56.287 0.023 0.000 0.986 51 K CB 1.418 33.930 32.500 0.019 0.000 0.952 51 K HN 0.360 8.625 8.250 0.024 -0.000 0.541 52 S N -0.408 115.309 115.700 0.028 0.000 2.738 52 S HA 0.083 4.569 4.470 0.027 0.000 0.284 52 S C -2.209 172.412 174.600 0.035 0.000 1.146 52 S CA -0.674 57.543 58.200 0.029 0.000 0.997 52 S CB 2.345 65.562 63.200 0.028 0.000 1.081 52 S HN 0.002 8.259 8.310 0.028 0.070 0.553 53 V N 0.108 120.044 119.914 0.037 0.000 2.715 53 V HA 0.088 4.237 4.120 0.048 0.000 0.310 53 V C -0.756 175.368 176.094 0.049 0.000 1.054 53 V CA -0.962 61.366 62.300 0.046 0.000 0.928 53 V CB 2.345 34.198 31.823 0.050 0.000 1.007 53 V HN -0.128 8.082 8.190 0.033 0.000 0.437 54 L N 5.086 126.343 121.223 0.056 0.000 2.704 54 L HA -0.154 4.219 4.340 0.055 0.000 0.279 54 L C -1.081 175.828 176.870 0.065 0.000 1.147 54 L CA 0.250 55.126 54.840 0.060 0.000 0.994 54 L CB -0.161 41.935 42.059 0.063 0.000 1.332 54 L HN -0.186 8.079 8.230 0.058 0.000 0.471 55 D N 6.542 126.978 120.400 0.060 0.000 2.346 55 D HA -0.070 4.608 4.640 0.063 0.000 0.267 55 D C 1.347 177.699 176.300 0.086 0.000 1.320 55 D CA -0.172 53.868 54.000 0.067 0.000 0.951 55 D CB 0.175 41.005 40.800 0.050 0.000 1.079 55 D HN -0.216 8.185 8.370 0.052 0.000 0.509 56 L N 5.625 126.895 121.223 0.078 0.000 2.129 56 L HA -0.504 3.877 4.340 0.068 0.000 0.212 56 L C 1.433 178.338 176.870 0.060 0.000 1.087 56 L CA 2.561 57.436 54.840 0.058 0.000 0.757 56 L CB -0.667 41.394 42.059 0.004 0.000 0.896 56 L HN -0.056 8.219 8.230 0.076 0.000 0.434 57 Y N -0.825 119.425 120.300 -0.082 0.000 2.139 57 Y HA -0.611 3.721 4.550 -0.363 0.000 0.282 57 Y C 1.640 177.493 175.900 -0.079 0.000 1.179 57 Y CA 3.594 61.572 58.100 -0.203 0.000 1.161 57 Y CB -0.357 37.951 38.460 -0.253 0.000 0.970 57 Y HN -0.134 8.416 8.280 0.150 -0.181 0.511 58 E N -0.968 119.354 120.200 0.204 0.000 2.072 58 E HA -0.367 4.230 4.350 0.166 -0.148 0.191 58 E C 2.258 178.928 176.600 0.117 0.000 0.985 58 E CA 2.698 59.184 56.400 0.143 0.000 0.801 58 E CB -0.317 29.436 29.700 0.089 0.000 0.750 58 E HN -0.226 8.123 8.360 0.174 0.115 0.452 59 L N -0.708 120.593 121.223 0.130 0.000 2.081 59 L HA -0.362 4.070 4.340 0.153 0.000 0.212 59 L C 1.421 178.420 176.870 0.215 0.000 1.080 59 L CA 2.946 57.891 54.840 0.175 0.000 0.754 59 L CB -0.313 41.870 42.059 0.206 0.000 0.893 59 L HN -0.660 7.554 8.230 0.121 0.088 0.433 60 Y N -0.652 119.665 120.300 0.029 0.000 2.153 60 Y HA -0.372 4.271 4.550 0.155 0.000 0.289 60 Y C 1.226 177.111 175.900 -0.026 0.000 1.119 60 Y CA 3.329 61.432 58.100 0.006 0.000 1.116 60 Y CB 0.349 38.696 38.460 -0.188 0.000 1.004 60 Y HN -0.505 7.779 8.280 0.192 0.111 0.501 61 N N -0.309 118.384 118.700 -0.012 0.000 2.091 61 N HA -0.463 4.215 4.740 -0.102 0.000 0.193 61 N C 2.301 177.750 175.510 -0.101 0.000 1.021 61 N CA 3.329 56.354 53.050 -0.042 0.000 0.862 61 N CB -0.715 37.839 38.487 0.112 0.000 1.018 61 N HN -0.058 8.376 8.380 0.091 0.000 0.429 62 L N -0.441 120.747 121.223 -0.059 0.000 2.005 62 L HA -0.322 3.975 4.340 -0.072 0.000 0.207 62 L C 2.146 178.926 176.870 -0.150 0.000 1.072 62 L CA 2.714 57.508 54.840 -0.077 0.000 0.744 62 L CB -0.056 41.984 42.059 -0.031 0.000 0.895 62 L HN -0.055 8.164 8.230 -0.005 0.008 0.433 63 V N -1.656 118.154 119.914 -0.174 0.000 2.231 63 V HA -0.513 3.438 4.120 -0.281 0.000 0.248 63 V C 2.621 178.532 176.094 -0.307 0.000 1.054 63 V CA 4.011 66.154 62.300 -0.261 0.000 1.015 63 V CB -0.638 31.047 31.823 -0.230 0.000 0.638 63 V HN -0.717 7.410 8.190 -0.105 0.000 0.444 64 I N -1.547 118.775 120.570 -0.413 0.000 2.208 64 I HA -0.465 3.522 4.170 -0.304 0.000 0.245 64 I C 1.413 177.399 176.117 -0.219 0.000 1.097 64 I CA 2.553 63.643 61.300 -0.351 0.000 1.363 64 I CB -1.391 36.333 38.000 -0.460 0.000 1.051 64 I HN -0.163 7.708 8.210 -0.565 0.000 0.413 65 A N -3.178 119.529 122.820 -0.189 0.000 2.186 65 A HA -0.233 4.024 4.320 -0.105 0.000 0.219 65 A C 1.630 179.140 177.584 -0.123 0.000 1.159 65 A CA 2.206 54.168 52.037 -0.125 0.000 0.680 65 A CB -0.281 18.662 19.000 -0.096 0.000 0.787 65 A HN -0.153 7.693 8.150 -0.213 0.175 0.467 66 R N -4.288 116.118 120.500 -0.156 0.000 2.146 66 R HA 0.028 4.292 4.340 -0.126 0.000 0.206 66 R C 0.880 177.094 176.300 -0.143 0.000 1.049 66 R CA 0.283 56.292 56.100 -0.152 0.000 1.029 66 R CB 0.979 31.160 30.300 -0.198 0.000 0.949 66 R HN -0.136 7.810 8.270 -0.188 0.211 0.471 67 G N -5.176 103.530 108.800 -0.156 0.000 3.254 67 G HA2 -0.104 3.790 3.960 -0.110 0.000 0.219 67 G HA3 -0.104 3.785 3.960 -0.119 0.000 0.219 67 G C -1.189 173.627 174.900 -0.140 0.000 0.964 67 G CA -0.272 44.750 45.100 -0.129 0.000 0.823 67 G HN -0.719 7.374 8.290 -0.182 0.088 0.579 68 G N -1.589 107.102 108.800 -0.182 0.000 2.317 68 G HA2 -0.200 3.649 3.960 -0.186 0.000 0.445 68 G HA3 -0.200 3.766 3.960 -0.129 -0.083 0.445 68 G C -1.242 173.523 174.900 -0.225 0.000 1.486 68 G CA -0.057 44.938 45.100 -0.176 0.000 0.991 68 G HN -0.802 7.361 8.290 -0.212 0.000 0.660 69 L N 1.836 122.921 121.223 -0.230 0.000 2.012 69 L HA -0.242 3.824 4.340 -0.457 0.000 0.210 69 L C 1.107 177.837 176.870 -0.233 0.000 1.073 69 L CA 2.730 57.374 54.840 -0.327 0.000 0.748 69 L CB 0.197 42.035 42.059 -0.369 0.000 0.891 69 L HN -0.307 8.034 8.230 -0.171 -0.213 0.431 70 V N -3.173 116.672 119.914 -0.115 0.000 2.407 70 V HA -0.509 3.578 4.120 -0.054 0.000 0.248 70 V C 1.580 177.604 176.094 -0.117 0.000 1.055 70 V CA 4.220 66.477 62.300 -0.073 0.000 1.049 70 V CB -1.240 30.574 31.823 -0.014 0.000 0.662 70 V HN 0.288 8.434 8.190 -0.074 0.000 0.455 71 D N -0.515 119.801 120.400 -0.140 0.000 2.178 71 D HA -0.262 4.311 4.640 -0.112 0.000 0.201 71 D C 2.701 178.872 176.300 -0.215 0.000 0.980 71 D CA 3.672 57.583 54.000 -0.148 0.000 0.842 71 D CB -0.447 40.268 40.800 -0.141 0.000 0.948 71 D HN -0.100 8.093 8.370 -0.137 0.095 0.472 72 V N 0.658 120.376 119.914 -0.325 0.000 2.379 72 V HA -0.425 3.438 4.120 -0.428 0.000 0.245 72 V C 1.677 177.458 176.094 -0.522 0.000 1.044 72 V CA 4.078 66.067 62.300 -0.518 0.000 1.036 72 V CB 0.153 31.483 31.823 -0.822 0.000 0.664 72 V HN -0.167 7.697 8.190 -0.322 0.133 0.453 73 I N -0.370 119.992 120.570 -0.346 0.000 2.193 73 I HA -0.528 3.672 4.170 0.050 0.000 0.240 73 I C 2.753 178.855 176.117 -0.025 0.000 1.084 73 I CA 4.117 65.382 61.300 -0.057 0.000 1.365 73 I CB -0.341 37.712 38.000 0.088 0.000 1.064 73 I HN 0.157 8.183 8.210 -0.307 0.000 0.410 74 N N -0.087 118.582 118.700 -0.051 0.000 2.120 74 N HA -0.279 4.459 4.740 -0.004 0.000 0.188 74 N C 1.294 176.779 175.510 -0.041 0.000 1.024 74 N CA 2.612 55.644 53.050 -0.031 0.000 0.852 74 N CB -0.100 38.365 38.487 -0.037 0.000 1.003 74 N HN -0.078 8.258 8.380 -0.074 0.000 0.424 75 K N -3.026 117.324 120.400 -0.082 0.000 2.486 75 K HA -0.057 4.232 4.320 -0.053 0.000 0.194 75 K C -0.469 176.090 176.600 -0.068 0.000 1.033 75 K CA -0.983 55.257 56.287 -0.078 0.000 1.004 75 K CB 0.045 32.479 32.500 -0.109 0.000 0.798 75 K HN -0.611 7.563 8.250 -0.117 0.006 0.495 76 K N -1.725 118.636 120.400 -0.065 0.000 3.148 76 K HA -0.362 4.061 4.320 0.092 -0.048 0.267 76 K C 0.175 176.756 176.600 -0.033 0.000 0.996 76 K CA 0.771 57.067 56.287 0.015 0.000 0.737 76 K CB -1.915 30.624 32.500 0.065 0.000 1.308 76 K HN -0.210 7.845 8.250 -0.080 0.146 0.470 77 L N -2.999 118.113 121.223 -0.185 0.000 2.629 77 L HA 0.088 4.386 4.340 -0.071 0.000 0.230 77 L C 1.133 177.921 176.870 -0.136 0.000 1.151 77 L CA -0.056 54.690 54.840 -0.157 0.000 0.924 77 L CB -0.681 41.252 42.059 -0.211 0.000 1.137 77 L HN 0.216 8.261 8.230 -0.309 -0.001 0.457 78 W N -0.043 121.237 121.300 -0.034 0.000 2.359 78 W HA -0.507 4.129 4.660 -0.039 0.000 0.275 78 W C 1.147 177.651 176.519 -0.024 0.000 1.217 78 W CA 3.416 60.743 57.345 -0.030 0.000 1.196 78 W CB -0.800 28.648 29.460 -0.020 0.000 1.129 78 W HN 0.156 8.204 8.180 -0.067 0.092 0.566 79 Q N -1.531 118.375 119.800 0.176 0.000 2.084 79 Q HA -0.430 3.979 4.340 0.116 0.000 0.202 79 Q C 1.974 178.006 176.000 0.055 0.000 0.978 79 Q CA 3.520 59.384 55.803 0.102 0.000 0.844 79 Q CB -0.748 28.029 28.738 0.065 0.000 0.898 79 Q HN 0.052 8.361 8.270 0.148 0.050 0.426 80 E N -0.032 120.178 120.200 0.017 0.000 2.031 80 E HA -0.349 3.993 4.350 -0.015 0.000 0.193 80 E C 2.516 179.108 176.600 -0.013 0.000 0.994 80 E CA 3.123 59.513 56.400 -0.017 0.000 0.800 80 E CB -0.329 29.340 29.700 -0.053 0.000 0.752 80 E HN -0.073 8.182 8.360 0.002 0.107 0.447 81 I N -0.078 120.502 120.570 0.018 0.000 2.179 81 I HA -0.490 3.684 4.170 0.006 0.000 0.242 81 I C 1.996 178.137 176.117 0.040 0.000 1.088 81 I CA 4.167 65.498 61.300 0.050 0.000 1.357 81 I CB -0.089 38.006 38.000 0.159 0.000 1.051 81 I HN -0.892 7.327 8.210 0.015 0.000 0.409 82 I N 0.008 120.628 120.570 0.083 0.000 2.226 82 I HA -0.612 3.579 4.170 0.036 0.000 0.245 82 I C 1.619 177.706 176.117 -0.050 0.000 1.100 82 I CA 4.231 65.555 61.300 0.039 0.000 1.374 82 I CB -0.170 37.877 38.000 0.079 0.000 1.057 82 I HN 0.184 8.480 8.210 0.144 0.000 0.413 83 K N -0.577 119.794 120.400 -0.048 0.000 2.026 83 K HA -0.390 3.919 4.320 -0.018 0.000 0.208 83 K C 2.809 179.165 176.600 -0.406 0.000 1.048 83 K CA 3.056 59.288 56.287 -0.093 0.000 0.929 83 K CB -0.058 32.432 32.500 -0.016 0.000 0.713 83 K HN 0.234 8.287 8.250 -0.003 0.195 0.439 84 G N -2.117 106.494 108.800 -0.315 0.000 2.414 84 G HA2 -0.194 3.499 3.960 -0.444 0.000 0.215 84 G HA3 -0.194 3.648 3.960 -0.196 0.000 0.215 84 G C 1.521 176.083 174.900 -0.563 0.000 1.188 84 G CA 1.342 46.197 45.100 -0.408 0.000 0.783 84 G HN -0.013 8.180 8.290 -0.161 0.000 0.537 85 L N 1.539 122.590 121.223 -0.286 0.000 2.672 85 L HA 0.045 4.328 4.340 -0.095 0.000 0.238 85 L C -1.125 175.668 176.870 -0.128 0.000 1.392 85 L CA -1.027 53.727 54.840 -0.142 0.000 1.238 85 L CB -2.840 39.206 42.059 -0.022 0.000 1.548 85 L HN 0.230 8.236 8.230 -0.183 0.114 0.423 86 H N -0.230 118.862 119.070 0.036 0.000 3.209 86 H HA -0.308 4.345 4.556 0.031 -0.078 0.297 86 H C 0.545 175.889 175.328 0.027 0.000 0.936 86 H CA 0.709 56.775 56.048 0.029 0.000 1.392 86 H CB -0.378 29.397 29.762 0.022 0.000 1.349 86 H HN -0.423 7.217 8.280 -0.926 0.085 0.568 87 L N 5.862 127.156 121.223 0.119 0.000 2.461 87 L HA -0.011 4.364 4.340 0.059 0.000 0.272 87 L C 0.230 177.143 176.870 0.071 0.000 1.197 87 L CA -1.119 53.765 54.840 0.073 0.000 0.836 87 L CB -1.234 40.855 42.059 0.050 0.000 1.105 87 L HN 0.238 8.537 8.230 0.115 0.000 0.477 88 P HA -0.123 4.323 4.420 0.042 0.000 0.210 88 P C -0.460 176.857 177.300 0.028 0.000 1.185 88 P CA 1.276 64.398 63.100 0.036 0.000 0.924 88 P CB 0.544 32.257 31.700 0.022 0.000 0.786 89 S N -6.165 109.547 115.700 0.020 0.000 4.264 89 S HA 0.095 4.576 4.470 0.018 0.000 0.079 89 S C -1.309 173.295 174.600 0.007 0.000 0.855 89 S CA 0.175 58.383 58.200 0.014 0.000 0.881 89 S CB -0.215 62.991 63.200 0.010 0.000 0.809 89 S HN -0.467 7.854 8.310 0.017 0.000 0.753 90 S N 0.216 115.919 115.700 0.006 0.000 2.323 90 S HA 0.171 4.640 4.470 -0.003 0.000 0.233 90 S C -0.954 173.643 174.600 -0.005 0.000 0.898 90 S CA 0.136 58.335 58.200 -0.002 0.000 1.321 90 S CB 1.229 64.426 63.200 -0.006 0.000 0.921 90 S HN -0.261 8.056 8.310 0.010 0.000 0.398 91 I N 4.551 125.120 120.570 -0.002 0.000 2.668 91 I HA -0.149 4.014 4.170 -0.013 0.000 0.309 91 I C -0.146 175.971 176.117 -0.001 0.000 1.195 91 I CA 0.507 61.804 61.300 -0.005 0.000 1.919 91 I CB -1.329 36.670 38.000 -0.001 0.000 1.551 91 I HN -0.176 8.036 8.210 0.002 0.000 0.908 92 T N 4.682 119.231 114.554 -0.008 0.000 3.609 92 T HA -0.035 4.317 4.350 0.003 0.000 0.245 92 T C -0.216 174.476 174.700 -0.013 0.000 0.980 92 T CA 0.656 62.753 62.100 -0.006 0.000 0.940 92 T CB -0.567 68.295 68.868 -0.011 0.000 1.105 92 T HN 0.480 8.680 8.240 -0.013 0.032 0.627 93 S N 0.420 116.116 115.700 -0.008 0.000 2.801 93 S HA 0.126 4.593 4.470 -0.006 0.000 0.236 93 S C -0.453 174.157 174.600 0.017 0.000 0.852 93 S CA 0.143 58.342 58.200 -0.002 0.000 1.089 93 S CB 0.493 63.678 63.200 -0.024 0.000 1.376 93 S HN -0.358 7.822 8.310 -0.003 0.128 0.470 94 A N 2.727 125.546 122.820 -0.001 0.000 1.897 94 A HA -0.338 3.976 4.320 -0.009 0.000 0.215 94 A C 0.533 178.058 177.584 -0.098 0.000 1.181 94 A CA 2.980 55.006 52.037 -0.018 0.000 0.620 94 A CB -0.427 18.575 19.000 0.003 0.000 0.821 94 A HN 0.016 8.167 8.150 0.001 0.000 0.443 95 A N -2.094 120.649 122.820 -0.129 0.000 1.892 95 A HA -0.343 3.659 4.320 -0.530 0.000 0.218 95 A C 1.870 179.153 177.584 -0.501 0.000 1.188 95 A CA 3.004 54.805 52.037 -0.393 0.000 0.631 95 A CB -0.988 17.847 19.000 -0.275 0.000 0.822 95 A HN 0.221 8.335 8.150 -0.060 0.000 0.447 96 F N -1.069 118.675 119.950 -0.343 0.000 2.206 96 F HA -0.228 4.103 4.527 -0.326 0.000 0.298 96 F C 1.202 176.866 175.800 -0.228 0.000 1.090 96 F CA 3.247 61.081 58.000 -0.277 0.000 1.323 96 F CB 0.287 39.187 39.000 -0.168 0.000 1.028 96 F HN -0.174 8.138 8.300 0.020 -0.000 0.492 97 T N 3.018 117.567 114.554 -0.009 0.000 2.777 97 T HA -0.398 3.961 4.350 0.014 0.000 0.266 97 T C 1.860 176.478 174.700 -0.138 0.000 1.040 97 T CA 5.621 67.700 62.100 -0.035 0.000 1.141 97 T CB -0.199 68.681 68.868 0.020 0.000 0.868 97 T HN -0.379 7.823 8.240 0.058 0.073 0.444 98 L N 0.201 121.308 121.223 -0.192 0.000 2.005 98 L HA -0.357 3.988 4.340 0.009 0.000 0.207 98 L C 1.640 178.408 176.870 -0.170 0.000 1.072 98 L CA 3.428 58.193 54.840 -0.124 0.000 0.744 98 L CB -0.554 41.443 42.059 -0.102 0.000 0.895 98 L HN 0.580 8.567 8.230 -0.218 0.112 0.433 99 R N -2.565 117.604 120.500 -0.552 0.000 2.096 99 R HA -0.360 3.961 4.340 -0.032 0.000 0.235 99 R C 2.309 178.487 176.300 -0.203 0.000 1.127 99 R CA 3.135 59.013 56.100 -0.371 0.000 0.968 99 R CB -0.894 29.032 30.300 -0.625 0.000 0.861 99 R HN -0.343 7.415 8.270 -0.853 0.000 0.440 100 T N 0.463 114.793 114.554 -0.372 0.000 2.770 100 T HA -0.205 3.985 4.350 -0.267 0.000 0.263 100 T C 1.818 176.469 174.700 -0.083 0.000 1.039 100 T CA 3.588 65.511 62.100 -0.295 0.000 1.142 100 T CB -0.186 68.397 68.868 -0.474 0.000 0.868 100 T HN -0.500 7.423 8.240 -0.529 0.000 0.435 101 Q N 0.843 120.626 119.800 -0.028 0.000 2.124 101 Q HA -0.377 4.011 4.340 0.080 0.000 0.202 101 Q C 2.261 178.341 176.000 0.133 0.000 0.977 101 Q CA 3.303 59.149 55.803 0.072 0.000 0.850 101 Q CB -0.038 28.750 28.738 0.084 0.000 0.901 101 Q HN -0.464 7.758 8.270 -0.080 0.000 0.429 102 Y N 1.125 121.459 120.300 0.057 0.000 2.097 102 Y HA -0.451 4.190 4.550 0.150 0.000 0.282 102 Y C 1.673 177.642 175.900 0.115 0.000 1.152 102 Y CA 3.751 61.928 58.100 0.127 0.000 1.136 102 Y CB 0.130 38.702 38.460 0.187 0.000 0.975 102 Y HN -0.025 8.394 8.280 0.241 0.006 0.498 103 M N -3.349 116.458 119.600 0.346 0.000 2.446 103 M HA -0.437 4.273 4.480 0.384 0.000 0.263 103 M C 1.816 178.136 176.300 0.033 0.000 1.066 103 M CA 2.930 58.356 55.300 0.210 0.000 1.087 103 M CB -0.102 32.516 32.600 0.030 0.000 1.406 103 M HN -0.464 7.993 8.290 0.280 0.000 0.459 104 K N -2.071 118.295 120.400 -0.056 0.000 2.097 104 K HA -0.263 3.825 4.320 -0.386 0.000 0.205 104 K C 0.630 176.766 176.600 -0.773 0.000 1.050 104 K CA 1.933 57.996 56.287 -0.373 0.000 0.938 104 K CB 0.341 32.719 32.500 -0.203 0.000 0.718 104 K HN -0.176 7.917 8.250 0.024 0.171 0.442 105 Y N -7.846 112.500 120.300 0.076 0.000 2.954 105 Y HA 0.072 4.705 4.550 0.137 0.000 0.267 105 Y C -1.126 174.743 175.900 -0.051 0.000 1.093 105 Y CA -0.197 57.939 58.100 0.060 0.000 1.257 105 Y CB 1.181 39.664 38.460 0.038 0.000 1.317 105 Y HN -0.763 7.547 8.280 0.049 0.000 0.587 106 L N -3.058 118.160 121.223 -0.007 0.000 2.948 106 L HA 0.192 4.420 4.340 -0.188 0.000 0.259 106 L C 0.601 177.522 176.870 0.086 0.000 1.136 106 L CA 0.272 54.967 54.840 -0.241 0.000 0.959 106 L CB 1.977 43.401 42.059 -1.059 0.000 1.370 106 L HN 0.308 8.480 8.230 0.051 0.088 0.552 107 Y N 2.228 122.651 120.300 0.204 0.000 2.242 107 Y HA 0.082 4.902 4.550 0.449 0.000 0.291 107 Y C -1.209 174.755 175.900 0.107 0.000 1.137 107 Y CA 4.295 62.559 58.100 0.274 0.000 1.181 107 Y CB -2.225 36.359 38.460 0.207 0.000 0.989 107 Y HN -0.409 8.092 8.280 0.369 0.000 0.527 108 P HA -0.170 4.067 4.420 -0.305 0.000 0.218 108 P C 0.557 177.561 177.300 -0.493 0.000 1.152 108 P CA 2.627 65.587 63.100 -0.235 0.000 0.826 108 P CB -0.754 30.991 31.700 0.075 0.000 0.790 109 Y N 0.273 120.175 120.300 -0.663 0.000 2.133 109 Y HA -0.299 3.648 4.550 -1.004 0.000 0.287 109 Y C 1.447 177.105 175.900 -0.403 0.000 1.134 109 Y CA 2.496 60.164 58.100 -0.719 0.000 1.133 109 Y CB -0.258 37.837 38.460 -0.608 0.000 0.987 109 Y HN -0.426 7.712 8.280 -0.235 0.000 0.502 110 E N 0.264 120.372 120.200 -0.154 0.000 2.070 110 E HA -0.483 3.876 4.350 0.016 0.000 0.197 110 E C 2.177 178.678 176.600 -0.165 0.000 1.004 110 E CA 3.436 59.830 56.400 -0.009 0.000 0.805 110 E CB -0.306 29.592 29.700 0.330 0.000 0.744 110 E HN 0.113 8.465 8.360 -0.014 0.000 0.451 111 C N -1.825 117.302 119.300 -0.289 0.000 2.429 111 C HA -0.400 3.934 4.460 -0.211 0.000 0.277 111 C C 2.221 177.055 174.990 -0.260 0.000 1.262 111 C CA 4.021 62.863 59.018 -0.294 0.000 1.733 111 C CB -0.159 27.318 27.740 -0.437 0.000 2.010 111 C HN -0.487 7.524 8.230 -0.365 0.000 0.483 112 E N 0.286 120.278 120.200 -0.347 0.000 2.106 112 E HA -0.294 3.932 4.350 -0.208 0.000 0.192 112 E C 1.704 178.103 176.600 -0.334 0.000 0.984 112 E CA 2.576 58.783 56.400 -0.322 0.000 0.806 112 E CB -0.229 29.220 29.700 -0.419 0.000 0.750 112 E HN -0.260 7.756 8.360 -0.423 0.090 0.458 113 K N -2.721 117.406 120.400 -0.454 0.000 2.001 113 K HA -0.178 3.929 4.320 -0.354 0.000 0.208 113 K C 1.912 178.417 176.600 -0.159 0.000 1.048 113 K CA 2.112 58.188 56.287 -0.351 0.000 0.932 113 K CB 0.528 32.788 32.500 -0.400 0.000 0.715 113 K HN 0.003 7.728 8.250 -0.564 0.187 0.437 114 K N -6.921 113.414 120.400 -0.110 0.000 2.481 114 K HA 0.164 4.452 4.320 -0.054 0.000 0.210 114 K C -1.009 175.552 176.600 -0.066 0.000 1.161 114 K CA -0.868 55.384 56.287 -0.058 0.000 1.023 114 K CB 2.049 34.540 32.500 -0.015 0.000 0.971 114 K HN -0.102 8.074 8.250 -0.124 0.000 0.577 115 N N -0.864 117.779 118.700 -0.095 0.000 2.696 115 N HA -0.306 4.366 4.740 -0.114 -0.001 0.256 115 N C 0.151 175.626 175.510 -0.059 0.000 1.031 115 N CA 0.691 53.689 53.050 -0.086 0.000 0.730 115 N CB -1.325 37.123 38.487 -0.065 0.000 0.894 115 N HN 0.102 8.291 8.380 -0.130 0.114 0.544 116 L N -3.920 117.269 121.223 -0.057 0.000 2.093 116 L HA -0.203 4.116 4.340 -0.035 0.000 0.208 116 L C 0.117 176.976 176.870 -0.019 0.000 1.085 116 L CA 2.141 56.959 54.840 -0.036 0.000 0.755 116 L CB 0.262 42.301 42.059 -0.033 0.000 0.904 116 L HN 0.179 8.366 8.230 -0.072 0.000 0.435 117 S N -7.865 107.830 115.700 -0.009 0.000 2.757 117 S HA 0.210 4.850 4.470 0.019 -0.158 0.285 117 S C -2.105 172.530 174.600 0.058 0.000 1.196 117 S CA -0.952 57.268 58.200 0.033 0.000 0.856 117 S CB 2.326 65.567 63.200 0.069 0.000 1.212 117 S HN -0.628 7.658 8.310 -0.039 0.000 0.516 118 T N -5.091 109.526 114.554 0.105 0.000 2.896 118 T HA 0.597 5.039 4.350 0.153 0.000 0.297 118 T C -1.664 173.153 174.700 0.196 0.000 1.108 118 T CA -4.159 58.025 62.100 0.141 0.000 1.004 118 T CB 1.850 70.763 68.868 0.076 0.000 1.159 118 T HN -0.231 8.167 8.240 0.092 -0.103 0.499 119 P HA -0.282 4.173 4.420 0.059 0.000 0.219 119 P C 0.610 177.940 177.300 0.050 0.000 1.144 119 P CA 2.374 65.542 63.100 0.114 0.000 0.806 119 P CB -0.290 31.470 31.700 0.100 0.000 0.771 120 A N -1.945 120.909 122.820 0.057 0.000 1.832 120 A HA -0.186 4.148 4.320 0.023 0.000 0.214 120 A C 1.715 179.315 177.584 0.026 0.000 1.200 120 A CA 2.689 54.745 52.037 0.032 0.000 0.610 120 A CB -0.627 18.392 19.000 0.031 0.000 0.842 120 A HN 0.337 8.481 8.150 0.074 0.051 0.444 121 E N -1.711 118.509 120.200 0.034 0.000 2.204 121 E HA -0.328 4.031 4.350 0.015 0.000 0.194 121 E C 2.254 178.867 176.600 0.022 0.000 0.989 121 E CA 1.866 58.280 56.400 0.024 0.000 0.824 121 E CB -0.407 29.308 29.700 0.025 0.000 0.756 121 E HN -0.275 8.111 8.360 0.044 0.000 0.477 122 L N 0.926 122.168 121.223 0.033 0.000 2.012 122 L HA -0.384 3.967 4.340 0.019 0.000 0.210 122 L C 1.595 178.454 176.870 -0.017 0.000 1.073 122 L CA 3.081 57.926 54.840 0.008 0.000 0.748 122 L CB -0.434 41.608 42.059 -0.027 0.000 0.891 122 L HN -0.052 8.179 8.230 0.053 0.030 0.431 123 Q N -0.610 119.179 119.800 -0.018 0.000 2.084 123 Q HA -0.512 3.812 4.340 -0.028 0.000 0.202 123 Q C 1.713 177.709 176.000 -0.006 0.000 0.978 123 Q CA 3.212 59.004 55.803 -0.018 0.000 0.844 123 Q CB -0.562 28.169 28.738 -0.013 0.000 0.898 123 Q HN -0.450 7.813 8.270 -0.011 0.000 0.426 124 A N -1.202 121.618 122.820 -0.001 0.000 1.940 124 A HA -0.317 4.004 4.320 0.002 0.000 0.219 124 A C 1.948 179.532 177.584 0.001 0.000 1.176 124 A CA 2.834 54.871 52.037 0.001 0.000 0.631 124 A CB -1.106 17.895 19.000 0.002 0.000 0.814 124 A HN -0.528 7.553 8.150 0.002 0.070 0.446 125 A N -1.040 121.780 122.820 -0.000 0.000 1.898 125 A HA -0.266 4.052 4.320 -0.003 0.000 0.216 125 A C 2.229 179.819 177.584 0.009 0.000 1.181 125 A CA 2.920 54.956 52.037 -0.000 0.000 0.620 125 A CB -0.620 18.377 19.000 -0.004 0.000 0.819 125 A HN -0.182 7.857 8.150 -0.000 0.110 0.442 126 I N -2.064 118.510 120.570 0.006 0.000 2.286 126 I HA -0.545 3.644 4.170 0.032 0.000 0.245 126 I C 1.522 177.648 176.117 0.015 0.000 1.104 126 I CA 4.242 65.551 61.300 0.014 0.000 1.397 126 I CB -0.252 37.746 38.000 -0.003 0.000 1.072 126 I HN 0.170 8.299 8.210 -0.003 0.079 0.417 127 D N -0.045 120.360 120.400 0.008 0.000 2.123 127 D HA -0.211 4.436 4.640 0.011 0.000 0.200 127 D C 1.732 178.039 176.300 0.011 0.000 0.976 127 D CA 2.927 56.932 54.000 0.009 0.000 0.831 127 D CB 0.100 40.902 40.800 0.005 0.000 0.974 127 D HN 0.551 8.801 8.370 0.003 0.122 0.469 128 G N -1.736 107.069 108.800 0.009 0.000 2.448 128 G HA2 -0.235 3.729 3.960 0.006 0.000 0.219 128 G HA3 -0.235 3.762 3.960 0.004 -0.034 0.219 128 G C 0.532 175.439 174.900 0.013 0.000 1.127 128 G CA 1.327 46.431 45.100 0.008 0.000 0.766 128 G HN 0.171 8.337 8.290 0.007 0.127 0.552 129 N N 1.025 119.737 118.700 0.021 0.000 2.083 129 N HA -0.207 4.550 4.740 0.030 0.000 0.190 129 N C 0.553 176.082 175.510 0.032 0.000 1.047 129 N CA 1.497 54.567 53.050 0.033 0.000 0.845 129 N CB 1.009 39.529 38.487 0.055 0.000 1.025 129 N HN -0.597 7.664 8.380 0.020 0.131 0.428 130 R N 0.000 120.519 120.500 0.031 0.000 2.786 130 R HA 0.000 4.356 4.340 0.027 0.000 0.208 130 R CA 0.000 56.116 56.100 0.027 0.000 0.921 130 R CB 0.000 30.311 30.300 0.019 0.000 0.687 130 R HN 0.000 8.289 8.270 0.031 0.000 0.535