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 2vil_1_A DATA FIRST_RESID 1 DATA SEQUENCE VELSKKVTGK LDKTTPGIQI WRIENMEMVP VPTKSYGNFY EGDCYVLLST DATA SEQUENCE RKTGSGFSYN IHYWLGKNSS QDEQGAAAIY TTQMDEYLGS VAVQHREVQG DATA SEQUENCE HESETFRAYF KQGLIYKQGG VASGMK 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 V HA 0.000 4.084 4.120 -0.061 0.000 0.244 1 V C 0.000 176.075 176.094 -0.031 0.000 1.182 1 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 1 V CB 0.000 31.839 31.823 0.027 0.000 1.184 2 E N 1.082 121.280 120.200 -0.003 0.000 2.313 2 E HA -0.373 4.289 4.350 0.520 0.000 0.190 2 E C -0.049 176.493 176.600 -0.097 0.000 1.406 2 E CA 0.438 56.908 56.400 0.117 0.000 0.668 2 E CB -1.591 28.173 29.700 0.107 0.000 1.135 2 E HN 0.144 8.523 8.360 0.033 0.000 0.375 3 L N -4.355 116.624 121.223 -0.406 0.000 2.064 3 L HA -0.346 3.908 4.340 -0.143 0.000 0.216 3 L C 0.414 177.186 176.870 -0.163 0.000 1.077 3 L CA 2.072 56.739 54.840 -0.289 0.000 0.766 3 L CB -0.491 41.216 42.059 -0.586 0.000 0.890 3 L HN -0.103 7.535 8.230 -0.985 0.000 0.435 4 S N -1.459 114.160 115.700 -0.134 0.000 2.542 4 S HA -0.307 4.032 4.470 -0.310 -0.055 0.287 4 S C 0.927 175.433 174.600 -0.157 0.000 1.315 4 S CA 1.488 59.565 58.200 -0.205 0.000 1.037 4 S CB 0.494 63.580 63.200 -0.189 0.000 0.822 4 S HN -0.489 7.787 8.310 -0.042 0.008 0.513 5 K N 2.550 122.833 120.400 -0.195 0.000 10.072 5 K HA -0.365 3.897 4.320 -0.097 0.000 0.514 5 K C 0.281 176.842 176.600 -0.065 0.000 0.380 5 K CA 2.723 58.948 56.287 -0.103 0.000 1.951 5 K CB -1.154 31.308 32.500 -0.062 0.000 0.727 5 K HN 0.545 8.609 8.250 -0.309 0.000 1.125 6 K N -0.505 119.867 120.400 -0.047 0.000 2.476 6 K HA 0.052 4.361 4.320 -0.018 0.000 0.196 6 K C -0.081 176.519 176.600 0.001 0.000 1.025 6 K CA -0.280 55.995 56.287 -0.020 0.000 1.138 6 K CB -0.287 32.206 32.500 -0.011 0.000 0.860 6 K HN -0.120 8.056 8.250 -0.052 0.042 0.515 7 V N -4.169 115.734 119.914 -0.018 0.000 5.258 7 V HA 0.175 4.348 4.120 0.087 0.000 0.122 7 V C -0.039 176.034 176.094 -0.035 0.000 1.199 7 V CA 1.338 63.665 62.300 0.045 0.000 1.018 7 V CB 0.363 32.270 31.823 0.140 0.000 1.289 7 V HN -0.346 7.703 8.190 -0.067 0.100 0.656 8 T N 3.544 118.008 114.554 -0.150 0.000 2.848 8 T HA -0.290 3.962 4.350 -0.164 0.000 0.269 8 T C 1.355 175.946 174.700 -0.182 0.000 1.081 8 T CA 4.612 66.580 62.100 -0.219 0.000 1.125 8 T CB -0.328 68.309 68.868 -0.385 0.000 0.848 8 T HN -0.559 7.449 8.240 -0.180 0.124 0.503 9 G N -1.827 106.876 108.800 -0.161 0.000 3.424 9 G HA2 0.025 3.987 3.960 0.003 0.000 0.263 9 G HA3 0.025 3.946 3.960 -0.066 0.000 0.263 9 G C -0.432 174.461 174.900 -0.011 0.000 1.310 9 G CA -0.316 44.747 45.100 -0.061 0.000 1.089 9 G HN -0.077 8.067 8.290 -0.159 0.050 0.534 10 K N -0.891 119.499 120.400 -0.017 0.000 2.981 10 K HA -0.002 4.306 4.320 -0.020 0.000 0.142 10 K C -0.569 176.010 176.600 -0.035 0.000 1.562 10 K CA -0.261 56.013 56.287 -0.021 0.000 0.652 10 K CB -0.243 32.247 32.500 -0.017 0.000 1.196 10 K HN -0.172 7.946 8.250 -0.029 0.114 0.357 11 L N -1.175 120.017 121.223 -0.052 0.000 2.498 11 L HA -0.088 4.284 4.340 0.052 0.000 0.159 11 L C -0.274 176.500 176.870 -0.160 0.000 0.961 11 L CA 0.361 55.169 54.840 -0.053 0.000 1.333 11 L CB 0.340 42.343 42.059 -0.092 0.000 1.855 11 L HN -0.325 7.873 8.230 -0.054 0.000 0.451 12 D N -1.098 119.146 120.400 -0.260 0.000 2.325 12 D HA -0.009 4.480 4.640 -0.252 0.000 0.251 12 D C -0.021 175.991 176.300 -0.479 0.000 1.196 12 D CA 0.978 54.782 54.000 -0.326 0.000 0.866 12 D CB -0.066 40.569 40.800 -0.274 0.000 1.101 12 D HN 0.177 8.398 8.370 -0.248 0.000 0.476 13 K N 1.459 121.637 120.400 -0.369 0.000 2.450 13 K HA 0.297 4.540 4.320 -0.129 0.000 0.206 13 K C -1.189 175.009 176.600 -0.669 0.000 1.148 13 K CA -0.681 55.430 56.287 -0.293 0.000 1.014 13 K CB 2.287 34.715 32.500 -0.120 0.000 0.966 13 K HN 0.232 8.295 8.250 -0.313 0.000 0.566 14 T N -5.869 108.219 114.554 -0.777 0.000 3.824 14 T HA 0.148 3.108 4.350 -2.317 0.000 0.232 14 T C -1.559 172.843 174.700 -0.497 0.000 0.927 14 T CA -0.315 61.210 62.100 -0.958 0.000 1.620 14 T CB 0.334 69.033 68.868 -0.282 0.000 0.762 14 T HN -0.523 7.402 8.240 -0.524 0.000 0.619 15 T N 2.975 117.233 114.554 -0.493 0.000 4.045 15 T HA 0.141 4.468 4.350 -0.038 0.000 0.399 15 T C -2.861 171.816 174.700 -0.039 0.000 1.270 15 T CA -1.293 60.722 62.100 -0.142 0.000 1.126 15 T CB 1.305 70.074 68.868 -0.165 0.000 1.272 15 T HN -0.617 7.109 8.240 -0.857 0.000 0.472 16 P HA 0.581 5.314 4.420 0.126 -0.238 0.279 16 P C -0.927 176.342 177.300 -0.051 0.000 1.318 16 P CA -1.111 62.026 63.100 0.062 0.000 0.819 16 P CB -0.291 31.455 31.700 0.077 0.000 0.927 17 G N 2.948 111.692 108.800 -0.094 0.000 2.322 17 G HA2 0.081 3.902 3.960 -0.231 0.000 0.295 17 G HA3 0.081 3.887 3.960 -0.257 0.000 0.295 17 G C -3.022 171.720 174.900 -0.263 0.000 1.369 17 G CA 0.380 45.349 45.100 -0.218 0.000 0.821 17 G HN -0.244 8.018 8.290 -0.047 0.000 0.536 18 I N -4.572 115.750 120.570 -0.413 0.000 2.465 18 I HA 0.708 4.900 4.170 -0.279 -0.190 0.291 18 I C -2.153 173.705 176.117 -0.432 0.000 1.014 18 I CA -2.222 58.835 61.300 -0.405 0.000 1.093 18 I CB 2.873 40.556 38.000 -0.529 0.000 1.267 18 I HN 0.053 7.940 8.210 -0.539 0.000 0.431 19 Q N 5.868 125.486 119.800 -0.302 0.000 2.309 19 Q HA 0.297 4.371 4.340 -0.443 0.000 0.264 19 Q C -1.702 174.078 176.000 -0.366 0.000 1.008 19 Q CA -1.286 54.265 55.803 -0.420 0.000 0.853 19 Q CB 3.972 32.397 28.738 -0.522 0.000 1.314 19 Q HN 0.007 8.066 8.270 -0.184 0.100 0.448 20 I N 1.119 121.452 120.570 -0.394 0.000 3.436 20 I HA 0.795 5.325 4.170 0.292 -0.184 0.296 20 I C -1.028 174.914 176.117 -0.291 0.000 1.143 20 I CA -2.635 58.643 61.300 -0.036 0.000 1.009 20 I CB 3.430 41.525 38.000 0.159 0.000 1.301 20 I HN -0.134 7.831 8.210 -0.409 0.000 0.503 21 W N -0.014 121.347 121.300 0.101 0.000 2.884 21 W HA 0.527 5.440 4.660 -0.039 -0.277 0.336 21 W C -1.369 175.057 176.519 -0.155 0.000 1.038 21 W CA -1.174 56.155 57.345 -0.027 0.000 1.247 21 W CB 3.913 33.327 29.460 -0.078 0.000 1.351 21 W HN 0.429 8.912 8.180 0.506 0.000 0.446 22 R N 2.485 122.914 120.500 -0.119 0.000 2.347 22 R HA 0.199 3.585 4.340 -1.591 0.000 0.304 22 R C -0.684 175.365 176.300 -0.418 0.000 1.072 22 R CA 0.019 55.754 56.100 -0.609 0.000 0.980 22 R CB 0.914 31.021 30.300 -0.321 0.000 0.986 22 R HN 0.571 8.799 8.270 -0.069 0.000 0.448 23 I N 3.559 123.809 120.570 -0.532 0.000 3.764 23 I HA 0.008 4.172 4.170 -0.103 -0.055 0.336 23 I C -1.042 175.011 176.117 -0.107 0.000 1.465 23 I CA -1.483 59.708 61.300 -0.181 0.000 1.221 23 I CB -2.105 35.853 38.000 -0.069 0.000 1.348 23 I HN 0.107 7.710 8.210 -1.013 0.000 0.432 24 E N 0.086 120.207 120.200 -0.131 0.000 2.391 24 E HA -0.219 4.178 4.350 0.078 0.000 0.255 24 E C 0.394 177.019 176.600 0.041 0.000 1.187 24 E CA 0.874 57.271 56.400 -0.005 0.000 0.941 24 E CB 1.296 30.968 29.700 -0.046 0.000 1.010 24 E HN -0.914 7.220 8.360 -0.207 0.102 0.458 25 N N -0.543 118.211 118.700 0.090 0.000 2.661 25 N HA -0.409 4.382 4.740 0.084 0.000 0.249 25 N C -0.488 175.057 175.510 0.057 0.000 1.142 25 N CA 1.463 54.556 53.050 0.073 0.000 0.727 25 N CB -0.951 37.570 38.487 0.056 0.000 1.099 25 N HN 0.656 9.120 8.380 0.140 0.000 0.558 26 M N -8.506 111.131 119.600 0.061 0.000 2.298 26 M HA -0.458 4.055 4.480 0.055 0.000 0.196 26 M C -1.439 174.891 176.300 0.050 0.000 0.531 26 M CA 1.244 56.576 55.300 0.053 0.000 0.459 26 M CB -3.381 29.248 32.600 0.049 0.000 1.279 26 M HN -0.094 8.192 8.290 0.073 0.048 0.915 27 E N -1.716 118.510 120.200 0.043 0.000 4.347 27 E HA 0.183 4.585 4.350 0.087 0.000 0.170 27 E C -1.291 175.327 176.600 0.030 0.000 1.224 27 E CA -1.085 55.347 56.400 0.053 0.000 0.735 27 E CB 2.965 32.686 29.700 0.035 0.000 2.611 27 E HN -0.065 8.210 8.360 0.027 0.101 0.520 28 M N -1.730 117.852 119.600 -0.029 0.000 2.860 28 M HA 0.228 4.776 4.480 -0.077 -0.114 0.270 28 M C -2.524 173.742 176.300 -0.057 0.000 0.988 28 M CA 0.240 55.486 55.300 -0.090 0.000 0.807 28 M CB 3.668 36.090 32.600 -0.296 0.000 1.708 28 M HN -0.041 8.236 8.290 -0.020 0.000 0.558 29 V N 0.363 120.287 119.914 0.016 0.000 3.098 29 V HA 0.518 4.661 4.120 0.038 0.000 0.294 29 V C -3.032 173.097 176.094 0.058 0.000 1.351 29 V CA -3.140 59.181 62.300 0.034 0.000 0.999 29 V CB 4.890 36.691 31.823 -0.035 0.000 1.104 29 V HN -0.041 8.181 8.190 0.054 0.000 0.438 30 P HA 0.051 3.624 4.420 -1.412 0.000 0.268 30 P C -1.037 175.973 177.300 -0.483 0.000 1.485 30 P CA -1.067 61.739 63.100 -0.490 0.000 1.102 30 P CB -1.162 30.445 31.700 -0.156 0.000 1.501 31 V N 6.186 125.758 119.914 -0.570 0.000 2.415 31 V HA 0.060 4.084 4.120 -0.160 0.000 0.267 31 V C -0.510 175.387 176.094 -0.328 0.000 1.042 31 V CA -2.325 59.808 62.300 -0.278 0.000 1.000 31 V CB -0.616 31.154 31.823 -0.088 0.000 1.015 31 V HN 0.103 7.735 8.190 -0.792 0.084 0.478 32 P HA 0.259 4.510 4.420 -0.281 0.000 0.318 32 P C 0.121 177.363 177.300 -0.096 0.000 1.309 32 P CA -0.407 62.578 63.100 -0.191 0.000 0.736 32 P CB 0.915 32.539 31.700 -0.127 0.000 1.440 33 T N -6.308 108.189 114.554 -0.095 0.000 3.129 33 T HA -0.108 4.217 4.350 -0.041 0.000 0.251 33 T C 0.450 175.320 174.700 0.283 0.000 1.117 33 T CA 1.726 63.828 62.100 0.004 0.000 1.034 33 T CB -0.154 68.588 68.868 -0.211 0.000 0.968 33 T HN 0.049 8.214 8.240 -0.125 0.000 0.526 34 K N 0.441 120.911 120.400 0.117 0.000 2.458 34 K HA 0.093 4.465 4.320 0.087 0.000 0.194 34 K C -0.255 176.386 176.600 0.068 0.000 1.024 34 K CA 0.302 56.637 56.287 0.079 0.000 1.108 34 K CB -0.447 32.066 32.500 0.023 0.000 0.846 34 K HN 0.069 8.280 8.250 0.042 0.065 0.518 35 S N -1.743 114.029 115.700 0.120 0.000 3.041 35 S HA 0.154 4.629 4.470 0.007 0.000 0.244 35 S C -1.029 173.656 174.600 0.142 0.000 0.837 35 S CA 0.364 58.606 58.200 0.071 0.000 1.206 35 S CB 1.047 64.284 63.200 0.063 0.000 1.218 35 S HN -0.495 7.858 8.310 0.223 0.090 0.591 36 Y N -0.933 119.415 120.300 0.079 0.000 2.627 36 Y HA 0.200 4.922 4.550 0.287 0.000 0.339 36 Y C -1.199 174.925 175.900 0.374 0.000 1.137 36 Y CA -1.113 57.122 58.100 0.225 0.000 1.361 36 Y CB -1.251 37.251 38.460 0.070 0.000 1.180 36 Y HN -0.692 7.831 8.280 0.405 0.000 0.512 37 G N -1.174 107.490 108.800 -0.227 0.000 2.945 37 G HA2 0.117 3.938 3.960 -0.231 0.000 0.225 37 G HA3 0.117 3.813 3.960 -0.440 0.000 0.225 37 G C -1.932 172.706 174.900 -0.438 0.000 1.046 37 G CA -0.147 44.748 45.100 -0.341 0.000 0.842 37 G HN -0.226 7.866 8.290 -0.141 0.114 0.543 38 N N 1.092 119.565 118.700 -0.378 0.000 2.594 38 N HA 0.250 4.611 4.740 -0.995 -0.218 0.280 38 N C -1.948 173.317 175.510 -0.408 0.000 1.156 38 N CA 0.015 52.713 53.050 -0.586 0.000 0.831 38 N CB 2.044 40.355 38.487 -0.292 0.000 1.379 38 N HN -0.789 7.512 8.380 -0.131 0.000 0.536 39 F N -0.093 119.638 119.950 -0.365 0.000 2.482 39 F HA 0.320 4.698 4.527 -0.248 0.000 0.331 39 F C -0.583 175.144 175.800 -0.121 0.000 1.115 39 F CA -2.826 54.856 58.000 -0.530 0.000 0.955 39 F CB 0.835 38.913 39.000 -1.536 0.000 1.136 39 F HN -0.058 6.812 8.300 -2.383 0.000 0.452 40 Y N 2.746 123.177 120.300 0.218 0.000 3.012 40 Y HA -0.428 4.370 4.550 0.216 -0.118 0.348 40 Y C 0.612 176.812 175.900 0.500 0.000 1.280 40 Y CA 0.098 58.403 58.100 0.341 0.000 1.492 40 Y CB -0.460 38.266 38.460 0.443 0.000 1.315 40 Y HN -0.004 8.565 8.280 0.481 0.000 0.651 41 E N 0.472 121.028 120.200 0.593 0.000 2.099 41 E HA -0.027 4.910 4.350 0.978 0.000 0.191 41 E C 1.297 178.101 176.600 0.339 0.000 0.962 41 E CA 0.950 57.698 56.400 0.580 0.000 0.826 41 E CB 0.846 30.752 29.700 0.343 0.000 0.788 41 E HN 0.024 8.541 8.360 0.429 0.101 0.461 42 G N 0.495 109.456 108.800 0.269 0.000 3.213 42 G HA2 -0.010 4.084 3.960 0.071 0.000 0.263 42 G HA3 -0.010 4.150 3.960 0.129 -0.123 0.263 42 G C -2.236 172.800 174.900 0.226 0.000 0.829 42 G CA -0.110 45.086 45.100 0.160 0.000 1.983 42 G HN 0.066 8.520 8.290 0.272 0.000 0.616 43 D N 1.269 121.818 120.400 0.247 0.000 3.948 43 D HA 0.097 4.849 4.640 0.187 0.000 0.338 43 D C -1.977 174.462 176.300 0.231 0.000 1.541 43 D CA -0.504 53.669 54.000 0.290 0.000 0.973 43 D CB 3.220 44.315 40.800 0.493 0.000 1.449 43 D HN -0.329 8.083 8.370 0.153 0.051 0.624 44 C N -1.153 118.327 119.300 0.301 0.000 2.686 44 C HA 0.207 4.997 4.460 0.306 -0.147 0.318 44 C C -2.308 172.898 174.990 0.359 0.000 1.160 44 C CA -1.015 58.191 59.018 0.313 0.000 1.396 44 C CB 3.325 31.155 27.740 0.150 0.000 1.924 44 C HN 0.125 8.478 8.230 0.205 0.000 0.471 45 Y N 2.260 122.853 120.300 0.488 0.000 2.333 45 Y HA 0.689 5.719 4.550 0.348 -0.272 0.324 45 Y C -0.318 175.839 175.900 0.429 0.000 1.033 45 Y CA -1.454 56.894 58.100 0.413 0.000 1.224 45 Y CB 2.566 41.210 38.460 0.307 0.000 1.120 45 Y HN 0.368 9.025 8.280 0.826 0.118 0.457 46 V N 5.300 125.514 119.914 0.500 0.000 2.555 46 V HA 0.005 4.559 4.120 0.508 -0.129 0.286 46 V C -1.231 175.254 176.094 0.651 0.000 1.044 46 V CA 0.215 62.822 62.300 0.512 0.000 1.026 46 V CB 0.040 32.053 31.823 0.317 0.000 0.981 46 V HN 0.158 8.591 8.190 0.406 0.000 0.480 47 L N 6.487 128.057 121.223 0.579 0.000 2.313 47 L HA 0.794 5.548 4.340 0.454 -0.142 0.268 47 L C -1.705 175.425 176.870 0.433 0.000 1.010 47 L CA -2.016 53.104 54.840 0.466 0.000 0.814 47 L CB 3.814 46.078 42.059 0.342 0.000 1.304 47 L HN 0.141 8.595 8.230 0.565 0.115 0.441 48 L N 2.384 123.778 121.223 0.286 0.000 2.595 48 L HA 0.551 5.299 4.340 0.274 -0.244 0.259 48 L C -2.200 174.686 176.870 0.026 0.000 1.033 48 L CA -0.354 54.634 54.840 0.248 0.000 0.901 48 L CB 1.888 44.205 42.059 0.430 0.000 1.151 48 L HN 0.159 8.472 8.230 0.139 0.000 0.453 49 S N 6.653 122.296 115.700 -0.096 0.000 2.584 49 S HA 0.301 4.770 4.470 -0.223 -0.133 0.273 49 S C -1.005 173.621 174.600 0.043 0.000 1.311 49 S CA 0.115 58.207 58.200 -0.180 0.000 1.034 49 S CB 1.204 64.140 63.200 -0.439 0.000 0.939 49 S HN 0.415 8.675 8.310 -0.084 0.000 0.513 50 T N 6.778 121.370 114.554 0.063 0.000 3.031 50 T HA 0.454 5.239 4.350 0.426 -0.179 0.305 50 T C -1.462 173.382 174.700 0.240 0.000 0.985 50 T CA -0.135 62.120 62.100 0.259 0.000 1.008 50 T CB 2.146 71.129 68.868 0.192 0.000 1.005 50 T HN 0.261 8.484 8.240 -0.027 0.000 0.444 51 R N 4.596 125.257 120.500 0.269 0.000 2.893 51 R HA 0.329 4.780 4.340 0.184 0.000 0.245 51 R C -1.928 174.504 176.300 0.219 0.000 1.192 51 R CA -1.288 54.932 56.100 0.201 0.000 1.077 51 R CB 2.898 33.258 30.300 0.101 0.000 1.253 51 R HN -0.048 8.382 8.270 0.266 0.000 0.505 52 K N -0.448 119.966 120.400 0.023 0.000 2.166 52 K HA 0.705 4.678 4.320 -0.774 -0.117 0.245 52 K C -0.314 176.132 176.600 -0.256 0.000 0.967 52 K CA -1.074 55.015 56.287 -0.330 0.000 0.863 52 K CB 2.144 34.480 32.500 -0.273 0.000 1.107 52 K HN 0.118 8.391 8.250 0.037 0.000 0.436 53 T N -1.265 113.081 114.554 -0.345 0.000 2.647 53 T HA 0.156 4.423 4.350 -0.139 0.000 0.295 53 T C 0.507 175.094 174.700 -0.188 0.000 1.126 53 T CA -1.392 60.589 62.100 -0.199 0.000 1.040 53 T CB 1.506 70.278 68.868 -0.160 0.000 1.472 53 T HN 0.151 8.062 8.240 -0.547 0.000 0.500 54 G N -1.550 107.175 108.800 -0.124 0.000 3.124 54 G HA2 0.061 3.961 3.960 -0.101 0.000 0.212 54 G HA3 0.061 3.978 3.960 -0.072 0.000 0.212 54 G C -0.274 174.567 174.900 -0.097 0.000 1.181 54 G CA 0.061 45.102 45.100 -0.098 0.000 0.803 54 G HN 0.257 8.485 8.290 -0.102 0.000 0.529 55 S N -0.744 114.882 115.700 -0.124 0.000 3.325 55 S HA 0.283 4.710 4.470 -0.071 0.000 0.254 55 S C 0.409 174.936 174.600 -0.122 0.000 1.084 55 S CA 0.273 58.415 58.200 -0.096 0.000 0.786 55 S CB 1.883 65.039 63.200 -0.073 0.000 0.849 55 S HN -0.473 7.638 8.310 -0.159 0.104 0.483 56 G N 0.693 109.380 108.800 -0.188 0.000 2.894 56 G HA2 0.213 4.048 3.960 -0.209 0.000 0.164 56 G HA3 0.213 4.150 3.960 -0.039 0.000 0.164 56 G C -3.157 171.465 174.900 -0.463 0.000 1.180 56 G CA 0.598 45.578 45.100 -0.201 0.000 0.997 56 G HN -0.397 7.775 8.290 -0.196 0.000 0.572 57 F N -1.829 118.047 119.950 -0.123 0.000 2.532 57 F HA 0.673 5.324 4.527 -0.062 -0.162 0.321 57 F C -0.123 175.400 175.800 -0.462 0.000 1.089 57 F CA -1.488 56.422 58.000 -0.150 0.000 0.926 57 F CB 3.842 42.915 39.000 0.121 0.000 1.168 57 F HN -0.015 8.371 8.300 0.144 0.000 0.459 58 S N 3.048 118.687 115.700 -0.103 0.000 2.423 58 S HA 0.257 4.544 4.470 -0.304 0.000 0.317 58 S C -0.867 173.733 174.600 0.000 0.000 1.065 58 S CA -0.909 57.196 58.200 -0.158 0.000 1.111 58 S CB 0.134 63.320 63.200 -0.023 0.000 0.968 58 S HN 0.097 8.334 8.310 0.049 0.102 0.474 59 Y N 4.614 125.001 120.300 0.145 0.000 2.300 59 Y HA 0.558 5.400 4.550 0.115 -0.223 0.328 59 Y C 0.955 176.958 175.900 0.173 0.000 1.270 59 Y CA -2.176 56.005 58.100 0.135 0.000 1.352 59 Y CB 1.296 39.830 38.460 0.123 0.000 1.286 59 Y HN -0.082 7.856 8.280 -0.570 0.000 0.536 60 N N 0.821 119.745 118.700 0.372 0.000 2.581 60 N HA 0.277 5.457 4.740 0.608 -0.075 0.279 60 N C -2.011 173.800 175.510 0.502 0.000 1.124 60 N CA -0.084 53.246 53.050 0.467 0.000 0.833 60 N CB 2.516 41.171 38.487 0.279 0.000 1.338 60 N HN 0.373 8.953 8.380 0.333 0.000 0.533 61 I N 5.087 125.943 120.570 0.475 0.000 2.301 61 I HA 0.207 4.820 4.170 0.414 -0.195 0.292 61 I C -0.925 175.512 176.117 0.534 0.000 1.046 61 I CA -0.412 61.141 61.300 0.422 0.000 1.282 61 I CB 0.046 38.188 38.000 0.236 0.000 1.409 61 I HN 0.192 8.543 8.210 0.393 0.095 0.484 62 H N 7.109 126.419 119.070 0.400 0.000 2.615 62 H HA 0.466 5.495 4.556 0.414 -0.225 0.346 62 H C -0.244 175.307 175.328 0.371 0.000 1.200 62 H CA -2.351 53.921 56.048 0.374 0.000 1.264 62 H CB 3.652 33.600 29.762 0.310 0.000 1.699 62 H HN 0.219 8.805 8.280 0.701 0.115 0.567 63 Y N -3.448 117.099 120.300 0.411 0.000 2.333 63 Y HA 0.217 4.976 4.550 0.347 0.000 0.324 63 Y C -2.814 173.266 175.900 0.301 0.000 1.033 63 Y CA -2.205 56.080 58.100 0.309 0.000 1.224 63 Y CB 0.079 38.647 38.460 0.181 0.000 1.120 63 Y HN 0.023 8.152 8.280 -0.252 0.000 0.457 64 W N 5.364 126.755 121.300 0.151 0.000 2.287 64 W HA 0.196 4.779 4.660 -0.154 -0.016 0.313 64 W C -1.497 175.098 176.519 0.127 0.000 1.267 64 W CA -0.109 57.215 57.345 -0.035 0.000 1.201 64 W CB 1.149 30.454 29.460 -0.258 0.000 1.196 64 W HN 0.453 8.871 8.180 0.562 0.100 0.536 65 L N 9.211 130.209 121.223 -0.375 0.000 2.709 65 L HA 0.387 4.663 4.340 -0.107 0.000 0.236 65 L C -0.035 176.476 176.870 -0.599 0.000 1.266 65 L CA -1.006 53.660 54.840 -0.291 0.000 0.987 65 L CB -0.470 41.523 42.059 -0.112 0.000 1.306 65 L HN -0.273 7.504 8.230 -0.565 0.114 0.467 66 G N 0.522 108.744 108.800 -0.963 0.000 2.326 66 G HA2 -0.328 3.063 3.960 -1.067 0.000 0.286 66 G HA3 -0.328 3.367 3.960 -0.784 -0.205 0.286 66 G C -0.725 173.983 174.900 -0.319 0.000 0.927 66 G CA 0.372 44.950 45.100 -0.871 0.000 1.553 66 G HN -0.161 7.575 8.290 -0.924 0.000 0.415 67 K N 4.335 124.578 120.400 -0.261 0.000 2.075 67 K HA -0.391 3.862 4.320 -0.112 0.000 0.246 67 K C -1.013 175.547 176.600 -0.065 0.000 1.293 67 K CA 1.356 57.568 56.287 -0.125 0.000 1.342 67 K CB -0.701 31.743 32.500 -0.093 0.000 0.820 67 K HN -0.092 7.965 8.250 -0.327 -0.003 0.436 68 N N 2.029 120.707 118.700 -0.037 0.000 2.223 68 N HA 0.006 4.747 4.740 0.003 0.000 0.309 68 N C -0.586 174.936 175.510 0.020 0.000 0.844 68 N CA 0.250 53.304 53.050 0.006 0.000 0.672 68 N CB 1.639 40.150 38.487 0.040 0.000 2.157 68 N HN -0.291 8.061 8.380 -0.046 0.000 0.984 69 S N 1.842 117.558 115.700 0.026 0.000 2.587 69 S HA -0.165 4.334 4.470 0.047 0.000 0.260 69 S C 0.224 174.832 174.600 0.014 0.000 1.353 69 S CA 0.918 59.138 58.200 0.033 0.000 0.995 69 S CB 1.090 64.314 63.200 0.040 0.000 0.912 69 S HN -0.566 7.755 8.310 0.018 0.000 0.568 70 S N -0.269 115.440 115.700 0.015 0.000 2.608 70 S HA 0.020 4.491 4.470 0.002 0.000 0.261 70 S C 1.478 176.075 174.600 -0.006 0.000 1.314 70 S CA 0.356 58.559 58.200 0.004 0.000 0.992 70 S CB 1.695 64.899 63.200 0.006 0.000 0.935 70 S HN -0.044 8.472 8.310 0.023 -0.192 0.564 71 Q N 1.710 121.503 119.800 -0.012 0.000 2.045 71 Q HA -0.354 3.971 4.340 -0.026 0.000 0.206 71 Q C 1.646 177.630 176.000 -0.027 0.000 0.991 71 Q CA 4.137 59.926 55.803 -0.022 0.000 0.851 71 Q CB -0.176 28.548 28.738 -0.023 0.000 0.911 71 Q HN 0.587 8.850 8.270 -0.010 0.000 0.418 72 D N -1.986 118.400 120.400 -0.023 0.000 2.149 72 D HA -0.334 4.280 4.640 -0.043 0.000 0.198 72 D C 2.184 178.469 176.300 -0.024 0.000 0.990 72 D CA 2.971 56.953 54.000 -0.030 0.000 0.839 72 D CB -0.954 39.832 40.800 -0.023 0.000 0.948 72 D HN -0.250 8.109 8.370 -0.018 0.000 0.460 73 E N -0.504 119.693 120.200 -0.005 0.000 2.118 73 E HA -0.440 3.925 4.350 0.025 0.000 0.195 73 E C 2.383 178.987 176.600 0.008 0.000 0.992 73 E CA 3.473 59.882 56.400 0.014 0.000 0.804 73 E CB -0.514 29.202 29.700 0.026 0.000 0.741 73 E HN -0.581 7.681 8.360 -0.003 0.097 0.458 74 Q N -1.462 118.331 119.800 -0.012 0.000 2.170 74 Q HA -0.230 4.111 4.340 0.001 0.000 0.203 74 Q C 2.448 178.410 176.000 -0.064 0.000 0.976 74 Q CA 2.850 58.638 55.803 -0.025 0.000 0.858 74 Q CB 0.076 28.791 28.738 -0.039 0.000 0.907 74 Q HN -0.346 7.805 8.270 -0.016 0.110 0.433 75 G N -3.188 105.568 108.800 -0.074 0.000 2.712 75 G HA2 -0.063 3.808 3.960 -0.149 0.000 0.212 75 G HA3 -0.063 3.833 3.960 -0.106 0.000 0.212 75 G C 0.032 174.857 174.900 -0.125 0.000 1.142 75 G CA 0.412 45.443 45.100 -0.114 0.000 0.789 75 G HN -0.617 7.505 8.290 -0.056 0.134 0.535 76 A N 2.167 124.944 122.820 -0.071 0.000 1.903 76 A HA 0.026 4.221 4.320 -0.210 0.000 0.213 76 A C 1.408 179.024 177.584 0.053 0.000 1.185 76 A CA 2.387 54.384 52.037 -0.067 0.000 0.628 76 A CB -0.580 18.445 19.000 0.041 0.000 0.830 76 A HN -0.079 7.840 8.150 -0.037 0.208 0.446 77 A N -1.073 121.813 122.820 0.110 0.000 1.872 77 A HA -0.113 4.393 4.320 0.310 0.000 0.214 77 A C 1.604 179.252 177.584 0.107 0.000 1.187 77 A CA 2.547 54.699 52.037 0.192 0.000 0.614 77 A CB -0.255 18.861 19.000 0.193 0.000 0.826 77 A HN -0.079 8.111 8.150 0.067 0.000 0.442 78 A N -2.441 120.345 122.820 -0.058 0.000 1.933 78 A HA -0.315 3.826 4.320 -0.298 0.000 0.218 78 A C 1.649 179.112 177.584 -0.201 0.000 1.175 78 A CA 2.870 54.730 52.037 -0.296 0.000 0.628 78 A CB -0.485 18.164 19.000 -0.586 0.000 0.814 78 A HN -0.490 7.620 8.150 -0.066 0.000 0.444 79 I N -1.324 119.130 120.570 -0.193 0.000 2.252 79 I HA -0.393 3.661 4.170 -0.194 0.000 0.245 79 I C 1.603 177.592 176.117 -0.213 0.000 1.102 79 I CA 1.568 62.731 61.300 -0.229 0.000 1.385 79 I CB -0.662 37.153 38.000 -0.310 0.000 1.064 79 I HN -0.655 7.340 8.210 -0.184 0.104 0.414 80 Y N -1.854 118.377 120.300 -0.116 0.000 2.333 80 Y HA -0.416 4.035 4.550 -0.166 0.000 0.290 80 Y C 2.556 178.354 175.900 -0.169 0.000 1.144 80 Y CA 3.573 61.574 58.100 -0.165 0.000 1.228 80 Y CB -0.689 37.647 38.460 -0.206 0.000 0.985 80 Y HN -0.174 8.030 8.280 -0.126 0.000 0.542 81 T N -1.156 113.428 114.554 0.050 0.000 2.985 81 T HA -0.102 4.259 4.350 0.018 0.000 0.266 81 T C 1.124 175.840 174.700 0.027 0.000 1.076 81 T CA 2.703 64.836 62.100 0.056 0.000 1.135 81 T CB -0.522 68.454 68.868 0.180 0.000 0.890 81 T HN -0.470 7.667 8.240 0.051 0.135 0.480 82 T N 3.229 117.772 114.554 -0.019 0.000 3.014 82 T HA -0.065 4.283 4.350 -0.004 0.000 0.263 82 T C 1.148 175.851 174.700 0.005 0.000 1.078 82 T CA 3.542 65.628 62.100 -0.022 0.000 1.135 82 T CB 0.020 68.848 68.868 -0.067 0.000 0.895 82 T HN -0.376 7.672 8.240 -0.050 0.162 0.480 83 Q N 0.544 120.344 119.800 -0.000 0.000 2.137 83 Q HA -0.081 4.315 4.340 0.093 0.000 0.198 83 Q C 2.263 178.329 176.000 0.111 0.000 0.960 83 Q CA 2.971 58.808 55.803 0.057 0.000 0.847 83 Q CB 0.211 28.952 28.738 0.006 0.000 0.915 83 Q HN -0.193 7.936 8.270 -0.028 0.125 0.448 84 M N -4.502 115.116 119.600 0.030 0.000 2.595 84 M HA 0.005 4.529 4.480 0.073 0.000 0.248 84 M C 1.421 177.774 176.300 0.089 0.000 1.119 84 M CA 2.621 57.937 55.300 0.027 0.000 1.079 84 M CB -0.690 31.839 32.600 -0.118 0.000 1.472 84 M HN -0.583 7.702 8.290 -0.007 0.000 0.501 85 D N 1.101 121.552 120.400 0.085 0.000 2.137 85 D HA -0.209 4.501 4.640 0.116 0.000 0.202 85 D C 1.732 178.089 176.300 0.096 0.000 0.970 85 D CA 4.704 58.759 54.000 0.093 0.000 0.837 85 D CB 0.347 41.182 40.800 0.058 0.000 0.981 85 D HN -0.329 7.904 8.370 0.066 0.177 0.475 86 E N -1.609 118.642 120.200 0.086 0.000 2.276 86 E HA -0.130 4.239 4.350 0.030 0.000 0.193 86 E C 2.073 178.688 176.600 0.026 0.000 0.983 86 E CA 1.642 58.065 56.400 0.039 0.000 0.861 86 E CB 0.391 30.090 29.700 -0.001 0.000 0.817 86 E HN -0.662 7.755 8.360 0.095 0.000 0.485 87 Y N -1.003 119.306 120.300 0.015 0.000 2.314 87 Y HA -0.291 4.267 4.550 0.014 0.000 0.293 87 Y C 1.667 177.587 175.900 0.032 0.000 1.129 87 Y CA 2.854 60.962 58.100 0.013 0.000 1.201 87 Y CB 0.229 38.684 38.460 -0.007 0.000 0.999 87 Y HN -0.714 7.724 8.280 0.264 0.000 0.541 88 L N -5.628 115.718 121.223 0.205 0.000 2.275 88 L HA -0.266 4.160 4.340 0.142 0.000 0.215 88 L C 0.444 177.448 176.870 0.224 0.000 1.119 88 L CA 1.132 56.089 54.840 0.195 0.000 0.790 88 L CB 0.516 42.720 42.059 0.242 0.000 0.919 88 L HN -0.643 7.689 8.230 0.198 0.017 0.443 89 G N -6.057 102.829 108.800 0.144 0.000 2.173 89 G HA2 -0.266 3.722 3.960 0.047 0.000 0.142 89 G HA3 -0.266 3.771 3.960 0.129 0.000 0.142 89 G C 0.126 175.072 174.900 0.076 0.000 1.019 89 G CA -0.454 44.705 45.100 0.098 0.000 0.699 89 G HN -0.815 7.391 8.290 0.116 0.153 0.495 90 S N -2.894 112.855 115.700 0.082 0.000 2.929 90 S HA -0.457 4.140 4.470 0.054 -0.095 0.271 90 S C -0.026 174.608 174.600 0.057 0.000 1.295 90 S CA 1.770 60.003 58.200 0.055 0.000 1.277 90 S CB -0.484 62.730 63.200 0.023 0.000 1.557 90 S HN -0.131 8.240 8.310 0.102 0.000 0.666 91 V N -6.231 113.731 119.914 0.080 0.000 3.235 91 V HA 0.083 4.194 4.120 -0.015 0.000 0.259 91 V C -0.287 175.829 176.094 0.036 0.000 1.133 91 V CA 0.018 62.320 62.300 0.002 0.000 1.128 91 V CB -0.129 31.626 31.823 -0.114 0.000 0.757 91 V HN -0.311 7.874 8.190 0.131 0.084 0.469 92 A N 0.136 123.069 122.820 0.188 0.000 2.280 92 A HA -0.032 4.568 4.320 0.295 -0.103 0.268 92 A C -1.052 176.623 177.584 0.151 0.000 1.111 92 A CA -0.035 52.158 52.037 0.260 0.000 0.814 92 A CB 1.219 20.418 19.000 0.332 0.000 1.093 92 A HN -0.340 7.914 8.150 0.228 0.033 0.498 93 V N -2.911 117.108 119.914 0.174 0.000 3.182 93 V HA 0.214 4.321 4.120 -0.021 0.000 0.311 93 V C -1.057 174.924 176.094 -0.187 0.000 1.221 93 V CA -2.768 59.534 62.300 0.002 0.000 1.060 93 V CB 3.126 34.975 31.823 0.044 0.000 1.164 93 V HN 0.137 8.497 8.190 0.284 0.000 0.466 94 Q N -1.348 118.126 119.800 -0.544 0.000 2.375 94 Q HA 0.819 5.264 4.340 -0.198 -0.224 0.271 94 Q C -1.175 174.260 176.000 -0.942 0.000 1.074 94 Q CA -1.443 54.087 55.803 -0.455 0.000 0.808 94 Q CB 3.567 32.236 28.738 -0.115 0.000 1.327 94 Q HN 0.061 8.008 8.270 -0.538 0.000 0.441 95 H N 1.679 120.649 119.070 -0.166 0.000 2.961 95 H HA 0.379 4.841 4.556 -0.155 0.000 0.371 95 H C -1.832 173.177 175.328 -0.532 0.000 1.190 95 H CA -1.241 54.617 56.048 -0.317 0.000 1.138 95 H CB 4.015 33.285 29.762 -0.821 0.000 1.816 95 H HN 0.380 8.625 8.280 -0.057 0.000 0.551 96 R N 0.573 120.852 120.500 -0.369 0.000 2.532 96 R HA 0.231 2.926 4.340 -2.742 0.000 0.295 96 R C -1.403 174.689 176.300 -0.347 0.000 0.968 96 R CA -0.914 54.655 56.100 -0.885 0.000 0.916 96 R CB 2.185 32.396 30.300 -0.149 0.000 1.124 96 R HN 0.271 8.495 8.270 -0.076 0.000 0.463 97 E N 1.969 121.959 120.200 -0.350 0.000 2.433 97 E HA 0.430 4.857 4.350 0.130 0.000 0.278 97 E C -1.823 174.735 176.600 -0.070 0.000 0.976 97 E CA -2.197 54.216 56.400 0.022 0.000 0.793 97 E CB 4.369 34.191 29.700 0.203 0.000 1.311 97 E HN -0.109 7.866 8.360 -0.642 0.000 0.460 98 V N -2.026 117.862 119.914 -0.043 0.000 3.156 98 V HA 0.173 3.909 4.120 -0.632 0.005 0.306 98 V C -0.797 175.097 176.094 -0.332 0.000 1.468 98 V CA -1.638 60.454 62.300 -0.347 0.000 1.047 98 V CB 2.883 34.606 31.823 -0.167 0.000 1.078 98 V HN 0.103 8.513 8.190 0.209 -0.095 0.468 99 Q N 1.166 120.739 119.800 -0.378 0.000 2.541 99 Q HA -0.198 4.223 4.340 0.039 -0.057 0.215 99 Q C 0.183 176.223 176.000 0.067 0.000 0.977 99 Q CA 1.893 57.617 55.803 -0.131 0.000 0.934 99 Q CB 0.301 28.929 28.738 -0.183 0.000 0.988 99 Q HN 0.448 8.488 8.270 -0.383 0.000 0.521 100 G N -4.399 104.472 108.800 0.118 0.000 4.385 100 G HA2 0.174 4.156 3.960 0.037 0.000 0.283 100 G HA3 0.174 4.143 3.960 0.016 0.000 0.283 100 G C -1.260 173.625 174.900 -0.024 0.000 1.020 100 G CA -0.038 45.096 45.100 0.057 0.000 0.790 100 G HN -0.238 8.051 8.290 0.164 0.100 0.420 101 H N -0.724 118.387 119.070 0.068 0.000 3.255 101 H HA 0.189 4.785 4.556 0.066 0.000 0.256 101 H C -0.360 175.051 175.328 0.137 0.000 1.049 101 H CA 0.657 56.751 56.048 0.077 0.000 1.202 101 H CB 2.763 32.549 29.762 0.040 0.000 1.497 101 H HN -0.510 7.824 8.280 0.306 0.130 0.503 102 E N 0.756 121.150 120.200 0.323 0.000 2.368 102 E HA 0.118 4.875 4.350 0.279 -0.239 0.188 102 E C -0.218 176.534 176.600 0.254 0.000 1.061 102 E CA -0.432 56.139 56.400 0.284 0.000 0.933 102 E CB -0.734 29.042 29.700 0.126 0.000 1.091 102 E HN -0.822 7.767 8.360 0.381 0.000 0.458 103 S N 1.601 117.409 115.700 0.181 0.000 2.415 103 S HA -0.459 4.095 4.470 0.140 0.000 0.236 103 S C 1.615 176.288 174.600 0.121 0.000 1.295 103 S CA 2.704 60.980 58.200 0.128 0.000 2.080 103 S CB -0.500 62.738 63.200 0.063 0.000 0.831 103 S HN -0.113 8.175 8.310 0.157 0.116 0.368 104 E N -1.113 119.132 120.200 0.074 0.000 2.338 104 E HA -0.257 4.118 4.350 0.042 0.000 0.197 104 E C 1.808 178.414 176.600 0.010 0.000 1.007 104 E CA 2.142 58.566 56.400 0.040 0.000 0.849 104 E CB -0.258 29.453 29.700 0.018 0.000 0.774 104 E HN 0.364 8.760 8.360 0.060 0.000 0.506 105 T N 1.799 116.386 114.554 0.055 0.000 2.732 105 T HA -0.261 3.997 4.350 -0.153 0.000 0.261 105 T C 1.382 176.092 174.700 0.017 0.000 1.040 105 T CA 3.573 65.675 62.100 0.003 0.000 1.145 105 T CB -0.365 68.609 68.868 0.177 0.000 0.866 105 T HN -0.206 8.047 8.240 0.101 0.047 0.427 106 F N 2.544 122.491 119.950 -0.004 0.000 2.051 106 F HA -0.284 4.341 4.527 0.163 0.000 0.296 106 F C 1.759 177.577 175.800 0.031 0.000 1.122 106 F CA 2.622 60.619 58.000 -0.004 0.000 1.201 106 F CB 0.014 38.906 39.000 -0.179 0.000 0.978 106 F HN -0.702 7.690 8.300 0.359 0.123 0.472 107 R N -1.561 119.022 120.500 0.138 0.000 2.139 107 R HA -0.473 3.927 4.340 0.101 0.000 0.243 107 R C 1.431 177.779 176.300 0.080 0.000 1.145 107 R CA 2.812 58.971 56.100 0.100 0.000 0.976 107 R CB -0.258 30.094 30.300 0.086 0.000 0.866 107 R HN -0.500 7.895 8.270 0.208 0.000 0.449 108 A N -2.004 120.784 122.820 -0.053 0.000 1.883 108 A HA -0.195 4.067 4.320 -0.097 0.000 0.217 108 A C 1.654 179.132 177.584 -0.177 0.000 1.186 108 A CA 2.376 54.297 52.037 -0.193 0.000 0.624 108 A CB -0.455 18.296 19.000 -0.414 0.000 0.822 108 A HN -0.375 7.516 8.150 -0.057 0.225 0.444 109 Y N -6.534 113.824 120.300 0.098 0.000 2.561 109 Y HA -0.228 4.261 4.550 -0.102 0.000 0.291 109 Y C -0.327 175.499 175.900 -0.122 0.000 1.141 109 Y CA 0.798 58.873 58.100 -0.042 0.000 1.303 109 Y CB 0.084 38.462 38.460 -0.136 0.000 1.015 109 Y HN -0.638 7.390 8.280 -0.270 0.090 0.547 110 F N -0.972 118.961 119.950 -0.029 0.000 2.359 110 F HA 0.137 4.719 4.527 0.091 0.000 0.369 110 F C -0.603 175.199 175.800 0.003 0.000 1.084 110 F CA -1.954 56.053 58.000 0.012 0.000 1.096 110 F CB 0.321 39.302 39.000 -0.031 0.000 1.335 110 F HN -0.960 7.427 8.300 0.475 0.198 0.457 111 K N 6.546 127.019 120.400 0.121 0.000 2.278 111 K HA 0.031 4.391 4.320 0.068 0.000 0.237 111 K C -0.700 175.938 176.600 0.063 0.000 1.229 111 K CA 0.522 56.852 56.287 0.072 0.000 1.155 111 K CB -1.568 30.954 32.500 0.036 0.000 1.590 111 K HN 0.707 8.999 8.250 0.072 0.000 0.290 112 Q N 1.034 120.874 119.800 0.066 0.000 1.539 112 Q HA 0.105 4.450 4.340 0.010 0.000 0.144 112 Q C -1.767 174.230 176.000 -0.005 0.000 0.491 112 Q CA 0.054 55.869 55.803 0.020 0.000 0.823 112 Q CB 1.725 30.464 28.738 0.002 0.000 0.867 112 Q HN -0.144 8.140 8.270 0.091 0.042 0.182 113 G N -1.534 107.250 108.800 -0.027 0.000 2.476 113 G HA2 0.125 4.055 3.960 -0.050 0.000 0.309 113 G HA3 0.125 4.026 3.960 -0.097 0.000 0.309 113 G C -2.098 172.682 174.900 -0.200 0.000 1.575 113 G CA -0.137 44.912 45.100 -0.085 0.000 0.913 113 G HN -0.201 8.085 8.290 -0.008 0.000 0.623 114 L N 1.552 122.603 121.223 -0.287 0.000 2.309 114 L HA 0.324 4.402 4.340 -0.682 -0.148 0.282 114 L C -0.468 175.726 176.870 -1.128 0.000 1.036 114 L CA -0.706 53.728 54.840 -0.676 0.000 0.806 114 L CB 1.510 43.264 42.059 -0.507 0.000 1.220 114 L HN 0.083 8.210 8.230 -0.172 0.000 0.429 115 I N 2.741 122.496 120.570 -1.358 0.000 2.947 115 I HA 0.209 3.733 4.170 -1.076 0.000 0.314 115 I C -1.616 173.545 176.117 -1.594 0.000 1.028 115 I CA -1.679 58.887 61.300 -1.224 0.000 1.077 115 I CB 3.561 41.201 38.000 -0.600 0.000 1.274 115 I HN 0.144 7.551 8.210 -1.339 0.000 0.485 116 Y N -0.291 119.856 120.300 -0.255 0.000 2.344 116 Y HA 0.398 5.191 4.550 -0.138 -0.326 0.328 116 Y C -0.550 175.342 175.900 -0.012 0.000 1.067 116 Y CA -2.291 55.748 58.100 -0.102 0.000 1.247 116 Y CB 1.145 39.618 38.460 0.021 0.000 1.113 116 Y HN 0.136 8.251 8.280 -0.275 0.000 0.465 117 K N 1.740 122.224 120.400 0.139 0.000 2.863 117 K HA 0.117 4.414 4.320 -0.038 0.000 0.304 117 K C 0.296 176.826 176.600 -0.115 0.000 1.015 117 K CA -1.442 54.819 56.287 -0.044 0.000 1.093 117 K CB 0.398 32.774 32.500 -0.207 0.000 1.345 117 K HN 0.131 8.517 8.250 0.226 0.000 0.500 118 Q N -1.738 117.835 119.800 -0.378 0.000 2.162 118 Q HA 0.092 4.392 4.340 -0.067 0.000 0.197 118 Q C 0.181 176.023 176.000 -0.264 0.000 1.013 118 Q CA -0.402 55.261 55.803 -0.233 0.000 1.040 118 Q CB 1.371 29.994 28.738 -0.192 0.000 1.114 118 Q HN 0.036 7.981 8.270 -0.540 0.000 0.547 119 G N -3.225 105.572 108.800 -0.006 0.000 2.938 119 G HA2 0.231 4.612 3.960 0.461 0.000 0.258 119 G HA3 0.231 4.459 3.960 0.214 -0.140 0.258 119 G C -0.524 174.466 174.900 0.149 0.000 1.356 119 G CA -0.935 44.287 45.100 0.203 0.000 1.052 119 G HN -0.049 8.240 8.290 -0.001 0.000 0.550 120 G N -0.142 108.771 108.800 0.188 0.000 2.220 120 G HA2 -0.318 3.722 3.960 0.133 0.000 0.248 120 G HA3 -0.318 3.698 3.960 0.092 0.000 0.248 120 G C 0.384 175.363 174.900 0.131 0.000 0.791 120 G CA 0.497 45.676 45.100 0.132 0.000 1.197 120 G HN -0.044 8.378 8.290 0.220 0.000 0.336 121 V N 2.040 122.068 119.914 0.189 0.000 3.620 121 V HA -0.139 4.061 4.120 0.132 0.000 0.286 121 V C 0.472 176.632 176.094 0.110 0.000 1.288 121 V CA 0.733 63.140 62.300 0.178 0.000 1.178 121 V CB -0.867 31.136 31.823 0.301 0.000 0.986 121 V HN 0.206 8.526 8.190 0.217 0.000 0.431 122 A N -0.748 122.125 122.820 0.087 0.000 2.072 122 A HA -0.099 4.258 4.320 0.061 0.000 0.216 122 A C 0.056 177.669 177.584 0.047 0.000 1.156 122 A CA 0.528 52.602 52.037 0.062 0.000 0.701 122 A CB 0.211 19.243 19.000 0.054 0.000 0.816 122 A HN -0.201 7.897 8.150 0.093 0.108 0.458 123 S N -3.787 111.940 115.700 0.044 0.000 3.419 123 S HA -0.351 4.135 4.470 0.026 0.000 0.350 123 S C 0.193 174.809 174.600 0.026 0.000 1.128 123 S CA 0.458 58.676 58.200 0.030 0.000 0.999 123 S CB -0.306 62.910 63.200 0.028 0.000 0.923 123 S HN -0.187 8.125 8.310 0.052 0.029 0.522 124 G N -2.721 106.095 108.800 0.028 0.000 3.596 124 G HA2 0.040 4.012 3.960 0.020 0.000 0.274 124 G HA3 0.040 4.015 3.960 0.024 0.000 0.274 124 G C -1.160 173.753 174.900 0.022 0.000 1.007 124 G CA 0.219 45.333 45.100 0.023 0.000 0.825 124 G HN 0.080 8.344 8.290 0.033 0.046 0.508 125 M N 0.037 119.650 119.600 0.023 0.000 2.407 125 M HA 0.440 4.932 4.480 0.019 0.000 0.235 125 M C -0.059 176.251 176.300 0.017 0.000 0.846 125 M CA -0.716 54.597 55.300 0.021 0.000 1.540 125 M CB 0.700 33.315 32.600 0.025 0.000 1.274 125 M HN -0.595 7.651 8.290 0.025 0.059 0.802 126 K N 0.000 120.409 120.400 0.016 0.000 2.780 126 K HA 0.000 4.327 4.320 0.011 0.000 0.191 126 K CA 0.000 56.294 56.287 0.012 0.000 0.838 126 K CB 0.000 32.506 32.500 0.010 0.000 1.064 126 K HN 0.000 8.260 8.250 0.017 0.000 0.543