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 2k1g_1_A DATA FIRST_RESID 36 DATA SEQUENCE MNVDVKSRIM DQYADWKGVR YRLGGSTKKG IDCSGFVQRT FREQFGLELP DATA SEQUENCE RSTYEQQEMG KSVSRSNLRT GDLVLFRAGS TGRHVGIYIG NNQFVHASTS DATA SEQUENCE SGVIISSMNE PYWKKRYNEA RRVLSRSLE 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 36 M HA 0.000 4.482 4.480 0.004 0.000 0.227 36 M C 0.000 176.304 176.300 0.007 0.000 1.140 36 M CA 0.000 55.303 55.300 0.005 0.000 0.988 36 M CB 0.000 32.602 32.600 0.003 0.000 1.302 37 N N 2.410 121.117 118.700 0.012 0.000 2.441 37 N HA 0.005 4.754 4.740 0.016 0.000 0.251 37 N C -0.296 175.225 175.510 0.019 0.000 1.242 37 N CA -0.314 52.746 53.050 0.017 0.000 0.898 37 N CB 0.652 39.152 38.487 0.022 0.000 1.100 37 N HN -0.352 8.036 8.380 0.013 0.000 0.443 38 V N 1.568 121.496 119.914 0.024 0.000 2.304 38 V HA -0.193 3.930 4.120 0.004 0.000 0.239 38 V C -0.834 175.295 176.094 0.058 0.000 1.201 38 V CA 0.441 62.757 62.300 0.026 0.000 1.254 38 V CB -1.135 30.706 31.823 0.029 0.000 1.335 38 V HN 0.251 8.456 8.190 0.025 0.000 0.491 39 D N 6.855 127.283 120.400 0.048 0.000 2.350 39 D HA 0.002 4.688 4.640 0.077 0.000 0.249 39 D C 1.232 177.606 176.300 0.122 0.000 1.119 39 D CA 0.013 54.055 54.000 0.071 0.000 0.886 39 D CB 1.998 42.825 40.800 0.045 0.000 1.195 39 D HN -0.441 7.927 8.370 0.026 0.018 0.437 40 V N 6.061 126.080 119.914 0.175 0.000 2.220 40 V HA -0.442 4.052 4.120 0.624 0.000 0.246 40 V C 1.752 177.983 176.094 0.228 0.000 1.049 40 V CA 4.564 67.041 62.300 0.295 0.000 1.003 40 V CB 0.020 31.914 31.823 0.118 0.000 0.634 40 V HN 0.426 8.692 8.190 0.128 0.000 0.444 41 K N -1.281 119.189 120.400 0.116 0.000 2.063 41 K HA -0.370 4.000 4.320 0.085 0.000 0.208 41 K C 2.125 178.763 176.600 0.064 0.000 1.048 41 K CA 3.304 59.637 56.287 0.077 0.000 0.928 41 K CB -0.440 32.082 32.500 0.038 0.000 0.713 41 K HN -0.031 8.313 8.250 0.093 -0.039 0.442 42 S N -0.621 115.109 115.700 0.050 0.000 2.365 42 S HA -0.353 4.134 4.470 0.029 0.000 0.225 42 S C 2.451 177.048 174.600 -0.004 0.000 1.039 42 S CA 3.701 61.916 58.200 0.024 0.000 1.033 42 S CB -0.159 63.049 63.200 0.014 0.000 0.887 42 S HN -0.053 8.626 8.310 0.055 -0.335 0.447 43 R N 0.472 120.943 120.500 -0.047 0.000 2.092 43 R HA -0.215 4.026 4.340 -0.164 0.000 0.231 43 R C 2.740 178.943 176.300 -0.163 0.000 1.119 43 R CA 2.496 58.479 56.100 -0.195 0.000 0.970 43 R CB -0.646 29.354 30.300 -0.500 0.000 0.864 43 R HN -0.377 7.891 8.270 -0.004 0.000 0.440 44 I N 1.388 121.938 120.570 -0.033 0.000 2.179 44 I HA -0.570 3.565 4.170 -0.059 0.000 0.242 44 I C 2.052 178.234 176.117 0.109 0.000 1.088 44 I CA 4.270 65.582 61.300 0.020 0.000 1.357 44 I CB -0.266 37.783 38.000 0.081 0.000 1.051 44 I HN 0.256 8.421 8.210 0.046 0.072 0.409 45 M N -1.901 117.773 119.600 0.123 0.000 2.175 45 M HA -0.379 4.303 4.480 0.335 0.000 0.264 45 M C 2.233 178.636 176.300 0.172 0.000 1.063 45 M CA 1.780 57.203 55.300 0.203 0.000 1.119 45 M CB -1.725 30.961 32.600 0.143 0.000 1.377 45 M HN 0.169 8.509 8.290 0.085 0.000 0.415 46 D N -0.324 120.121 120.400 0.076 0.000 2.104 46 D HA -0.373 4.290 4.640 0.038 0.000 0.194 46 D C 2.019 178.362 176.300 0.072 0.000 0.994 46 D CA 3.979 58.002 54.000 0.039 0.000 0.830 46 D CB 0.256 41.042 40.800 -0.023 0.000 0.959 46 D HN 0.009 8.300 8.370 0.044 0.105 0.452 47 Q N -1.514 118.333 119.800 0.078 0.000 2.046 47 Q HA -0.259 4.166 4.340 0.142 0.000 0.200 47 Q C 2.407 178.632 176.000 0.375 0.000 0.975 47 Q CA 2.267 58.160 55.803 0.151 0.000 0.836 47 Q CB -0.100 28.642 28.738 0.006 0.000 0.896 47 Q HN -0.284 8.000 8.270 0.024 0.000 0.428 48 Y N 2.172 122.630 120.300 0.264 0.000 2.256 48 Y HA -0.401 4.533 4.550 0.640 0.000 0.288 48 Y C 1.931 178.005 175.900 0.289 0.000 1.155 48 Y CA 2.119 60.458 58.100 0.398 0.000 1.203 48 Y CB -0.400 38.251 38.460 0.318 0.000 0.980 48 Y HN 0.010 8.528 8.280 0.398 0.000 0.530 49 A N -1.437 121.416 122.820 0.055 0.000 2.084 49 A HA -0.392 3.779 4.320 -0.248 0.000 0.221 49 A C 0.834 178.373 177.584 -0.075 0.000 1.161 49 A CA 2.458 54.438 52.037 -0.095 0.000 0.653 49 A CB -0.839 18.145 19.000 -0.025 0.000 0.802 49 A HN -0.076 8.157 8.150 0.169 0.018 0.457 50 D N -3.769 116.657 120.400 0.043 0.000 2.271 50 D HA -0.056 4.504 4.640 -0.133 0.000 0.206 50 D C 0.304 176.481 176.300 -0.206 0.000 0.967 50 D CA 1.761 55.712 54.000 -0.082 0.000 0.867 50 D CB 1.102 41.867 40.800 -0.058 0.000 0.960 50 D HN -0.324 7.991 8.370 0.184 0.165 0.509 51 W N -2.764 118.561 121.300 0.042 0.000 2.991 51 W HA 0.132 4.835 4.660 0.071 0.000 0.391 51 W C -0.326 176.177 176.519 -0.027 0.000 1.054 51 W CA -1.429 55.975 57.345 0.099 0.000 1.856 51 W CB 0.574 30.243 29.460 0.347 0.000 1.132 51 W HN -0.548 7.751 8.180 0.413 0.128 0.601 52 K N 1.471 121.797 120.400 -0.123 0.000 2.315 52 K HA -0.176 3.946 4.320 -0.330 0.000 0.281 52 K C 0.452 177.011 176.600 -0.068 0.000 1.086 52 K CA 1.770 57.882 56.287 -0.292 0.000 1.042 52 K CB -1.394 30.820 32.500 -0.476 0.000 0.949 52 K HN -0.566 7.517 8.250 -0.177 0.061 0.450 53 G N 2.515 111.334 108.800 0.032 0.000 2.192 53 G HA2 -0.234 3.747 3.960 0.036 0.000 0.193 53 G HA3 -0.234 3.727 3.960 0.001 0.000 0.193 53 G C -0.423 174.515 174.900 0.062 0.000 0.999 53 G CA -0.492 44.627 45.100 0.032 0.000 0.659 53 G HN -0.176 8.172 8.290 0.098 0.000 0.503 54 V N 1.012 120.997 119.914 0.119 0.000 2.637 54 V HA -0.187 4.000 4.120 0.111 0.000 0.296 54 V C -0.231 175.949 176.094 0.143 0.000 1.046 54 V CA 0.504 62.899 62.300 0.158 0.000 1.066 54 V CB 0.643 32.660 31.823 0.324 0.000 0.968 54 V HN -0.578 7.704 8.190 0.152 0.000 0.483 55 R N 4.397 124.975 120.500 0.131 0.000 2.637 55 R HA 0.043 4.462 4.340 0.132 0.000 0.269 55 R C -0.638 175.771 176.300 0.182 0.000 1.089 55 R CA -1.536 54.647 56.100 0.139 0.000 1.177 55 R CB 0.934 31.302 30.300 0.112 0.000 1.091 55 R HN 0.452 8.793 8.270 0.119 0.000 0.540 56 Y N 1.917 122.262 120.300 0.074 0.000 2.436 56 Y HA 0.181 5.081 4.550 0.096 -0.292 0.343 56 Y C -0.821 175.137 175.900 0.097 0.000 1.008 56 Y CA 0.417 58.572 58.100 0.091 0.000 1.241 56 Y CB 0.762 39.281 38.460 0.100 0.000 1.153 56 Y HN 0.183 8.635 8.280 0.287 0.000 0.521 57 R N 9.170 129.545 120.500 -0.207 0.000 2.514 57 R HA 0.224 4.557 4.340 -0.012 0.000 0.296 57 R C -2.120 174.036 176.300 -0.239 0.000 1.012 57 R CA -1.678 54.350 56.100 -0.121 0.000 0.897 57 R CB 3.294 33.592 30.300 -0.003 0.000 1.184 57 R HN -0.593 7.378 8.270 -0.309 0.114 0.440 58 L N 5.471 126.605 121.223 -0.148 0.000 2.433 58 L HA -0.204 4.022 4.340 -0.190 0.000 0.275 58 L C 0.888 177.737 176.870 -0.036 0.000 1.128 58 L CA 0.916 55.699 54.840 -0.096 0.000 0.875 58 L CB -0.513 41.566 42.059 0.034 0.000 1.171 58 L HN 0.406 8.613 8.230 -0.039 0.000 0.463 59 G N 6.571 115.347 108.800 -0.040 0.000 2.900 59 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.223 59 G HA3 -0.359 3.605 3.960 0.007 0.000 0.223 59 G C 0.296 175.198 174.900 0.004 0.000 1.293 59 G CA 0.660 45.757 45.100 -0.006 0.000 0.792 59 G HN 0.666 9.249 8.290 -0.072 -0.335 0.527 60 G N 3.080 111.885 108.800 0.009 0.000 3.003 60 G HA2 -0.019 3.963 3.960 0.036 0.000 0.266 60 G HA3 -0.019 3.961 3.960 0.034 0.000 0.266 60 G C -0.799 174.132 174.900 0.052 0.000 0.755 60 G CA -0.656 44.463 45.100 0.031 0.000 2.061 60 G HN -0.432 7.774 8.290 0.001 0.084 0.599 61 S N 3.467 119.201 115.700 0.057 0.000 2.457 61 S HA -0.071 4.551 4.470 0.086 -0.100 0.294 61 S C -0.276 174.448 174.600 0.206 0.000 1.201 61 S CA 1.083 59.341 58.200 0.096 0.000 1.112 61 S CB -0.419 62.807 63.200 0.044 0.000 1.018 61 S HN -0.148 8.142 8.310 0.042 0.045 0.511 62 T N 5.099 119.837 114.554 0.307 0.000 2.677 62 T HA 0.111 4.719 4.350 0.430 0.000 0.305 62 T C -0.360 174.539 174.700 0.331 0.000 1.569 62 T CA -0.988 61.309 62.100 0.330 0.000 0.984 62 T CB 1.592 70.552 68.868 0.154 0.000 1.629 62 T HN 0.497 8.804 8.240 0.289 0.106 0.494 63 K N 0.653 121.088 120.400 0.058 0.000 2.515 63 K HA -0.148 4.117 4.320 -0.092 0.000 0.196 63 K C 0.336 176.953 176.600 0.030 0.000 1.038 63 K CA 1.500 57.744 56.287 -0.073 0.000 0.967 63 K CB -0.348 32.013 32.500 -0.232 0.000 0.780 63 K HN 0.375 8.625 8.250 0.000 0.000 0.483 64 K N -2.834 117.605 120.400 0.065 0.000 2.387 64 K HA 0.044 4.391 4.320 0.045 0.000 0.198 64 K C -0.734 175.919 176.600 0.088 0.000 1.022 64 K CA -1.187 55.136 56.287 0.061 0.000 1.128 64 K CB 0.179 32.705 32.500 0.043 0.000 0.853 64 K HN -0.773 7.460 8.250 0.078 0.064 0.523 65 G N -3.194 105.687 108.800 0.135 0.000 2.226 65 G HA2 0.018 4.272 3.960 0.130 0.000 0.257 65 G HA3 0.018 4.031 3.960 0.089 0.000 0.257 65 G C -3.225 171.757 174.900 0.136 0.000 1.732 65 G CA 0.257 45.432 45.100 0.124 0.000 0.914 65 G HN -0.416 7.794 8.290 0.179 0.187 0.742 66 I N 1.468 122.092 120.570 0.089 0.000 2.775 66 I HA 0.545 4.769 4.170 -0.006 -0.058 0.295 66 I C -3.046 172.964 176.117 -0.179 0.000 1.287 66 I CA -1.441 59.868 61.300 0.015 0.000 1.029 66 I CB 4.055 42.118 38.000 0.104 0.000 1.282 66 I HN 0.946 9.208 8.210 0.086 0.000 0.426 67 D N 3.575 123.797 120.400 -0.297 0.000 2.539 67 D HA 0.334 4.158 4.640 -1.361 0.000 0.276 67 D C 1.195 177.434 176.300 -0.102 0.000 1.206 67 D CA -0.802 52.835 54.000 -0.604 0.000 1.081 67 D CB 2.015 42.486 40.800 -0.549 0.000 1.142 67 D HN -0.004 8.255 8.370 -0.185 0.000 0.595 68 C N -3.057 116.304 119.300 0.102 0.000 2.436 68 C HA -0.329 4.274 4.460 0.238 0.000 0.277 68 C C 2.153 177.192 174.990 0.081 0.000 1.241 68 C CA 3.453 62.555 59.018 0.140 0.000 1.721 68 C CB -0.174 27.471 27.740 -0.158 0.000 2.043 68 C HN 0.090 8.413 8.230 0.155 0.000 0.472 69 S N 1.633 117.349 115.700 0.026 0.000 2.383 69 S HA -0.242 4.226 4.470 -0.002 0.000 0.227 69 S C 1.909 176.506 174.600 -0.005 0.000 1.026 69 S CA 4.341 62.545 58.200 0.007 0.000 0.981 69 S CB -0.560 62.646 63.200 0.011 0.000 0.818 69 S HN -0.171 8.277 8.310 0.027 -0.123 0.472 70 G N 1.338 110.128 108.800 -0.017 0.000 2.418 70 G HA2 -0.273 3.659 3.960 -0.047 0.000 0.217 70 G HA3 -0.273 3.652 3.960 -0.059 0.000 0.217 70 G C 0.624 175.472 174.900 -0.087 0.000 1.158 70 G CA 1.897 46.968 45.100 -0.049 0.000 0.771 70 G HN -0.245 8.487 8.290 -0.026 -0.458 0.545 71 F N 3.627 123.459 119.950 -0.196 0.000 2.084 71 F HA -0.363 3.855 4.527 -0.515 0.000 0.296 71 F C 1.292 177.021 175.800 -0.117 0.000 1.111 71 F CA 3.045 60.887 58.000 -0.263 0.000 1.224 71 F CB 0.295 39.204 39.000 -0.152 0.000 0.991 71 F HN -0.025 8.346 8.300 0.118 0.000 0.471 72 V N -0.272 119.617 119.914 -0.040 0.000 2.407 72 V HA -0.688 3.427 4.120 -0.008 0.000 0.248 72 V C 1.188 177.296 176.094 0.022 0.000 1.055 72 V CA 4.011 66.313 62.300 0.002 0.000 1.049 72 V CB -0.016 31.839 31.823 0.053 0.000 0.662 72 V HN -0.024 8.250 8.190 0.141 0.000 0.455 73 Q N -0.350 119.421 119.800 -0.047 0.000 2.014 73 Q HA -0.445 3.889 4.340 -0.009 0.000 0.207 73 Q C 2.039 178.020 176.000 -0.032 0.000 0.993 73 Q CA 3.582 59.368 55.803 -0.030 0.000 0.850 73 Q CB -0.186 28.527 28.738 -0.042 0.000 0.916 73 Q HN -0.132 8.107 8.270 -0.051 0.000 0.417 74 R N -1.906 118.502 120.500 -0.153 0.000 2.097 74 R HA -0.328 3.968 4.340 -0.073 0.000 0.236 74 R C 2.631 178.833 176.300 -0.162 0.000 1.135 74 R CA 2.734 58.724 56.100 -0.183 0.000 0.934 74 R CB -0.706 29.346 30.300 -0.412 0.000 0.846 74 R HN -0.027 8.121 8.270 -0.204 0.000 0.431 75 T N 2.039 116.405 114.554 -0.313 0.000 2.597 75 T HA -0.346 3.821 4.350 -0.305 0.000 0.267 75 T C 2.009 176.649 174.700 -0.099 0.000 1.053 75 T CA 5.099 67.027 62.100 -0.286 0.000 1.165 75 T CB -0.249 68.366 68.868 -0.422 0.000 0.863 75 T HN 0.107 8.048 8.240 -0.499 0.000 0.427 76 F N -0.511 119.450 119.950 0.019 0.000 2.259 76 F HA -0.130 4.721 4.527 0.540 0.000 0.298 76 F C 2.215 178.081 175.800 0.110 0.000 1.088 76 F CA 3.303 61.424 58.000 0.201 0.000 1.358 76 F CB -0.214 38.852 39.000 0.111 0.000 1.040 76 F HN -0.513 8.060 8.300 0.455 0.000 0.505 77 R N -0.123 120.493 120.500 0.193 0.000 2.092 77 R HA -0.243 4.411 4.340 0.130 -0.236 0.231 77 R C 1.857 178.195 176.300 0.063 0.000 1.119 77 R CA 3.024 59.190 56.100 0.111 0.000 0.970 77 R CB -0.211 30.129 30.300 0.067 0.000 0.864 77 R HN 0.151 8.523 8.270 0.170 0.000 0.440 78 E N -2.406 117.807 120.200 0.023 0.000 2.389 78 E HA 0.027 4.382 4.350 0.009 0.000 0.199 78 E C 1.725 178.280 176.600 -0.075 0.000 0.978 78 E CA 1.410 57.806 56.400 -0.006 0.000 0.912 78 E CB 0.072 29.782 29.700 0.016 0.000 0.907 78 E HN -0.355 8.013 8.360 0.014 0.000 0.494 79 Q N -1.008 118.692 119.800 -0.167 0.000 2.063 79 Q HA -0.100 4.060 4.340 -0.301 0.000 0.194 79 Q C 1.455 177.202 176.000 -0.421 0.000 0.974 79 Q CA 1.576 57.143 55.803 -0.394 0.000 0.827 79 Q CB 0.491 28.807 28.738 -0.703 0.000 0.902 79 Q HN -0.426 7.764 8.270 -0.133 0.000 0.462 80 F N -3.265 116.639 119.950 -0.076 0.000 2.664 80 F HA 0.004 4.511 4.527 -0.034 0.000 0.296 80 F C 0.986 176.798 175.800 0.020 0.000 1.125 80 F CA 0.058 58.040 58.000 -0.030 0.000 1.444 80 F CB 0.994 39.979 39.000 -0.026 0.000 1.114 80 F HN -0.916 7.280 8.300 -0.173 0.000 0.576 81 G N -0.418 108.481 108.800 0.165 0.000 2.289 81 G HA2 -0.413 3.838 3.960 0.088 0.000 0.280 81 G HA3 -0.413 3.602 3.960 0.092 0.000 0.280 81 G C -1.295 173.690 174.900 0.141 0.000 1.089 81 G CA 0.141 45.312 45.100 0.119 0.000 0.939 81 G HN -0.192 8.135 8.290 0.127 0.039 0.499 82 L N -1.190 120.148 121.223 0.192 0.000 2.317 82 L HA 0.310 4.717 4.340 0.113 0.000 0.281 82 L C -0.803 176.124 176.870 0.095 0.000 1.024 82 L CA -1.375 53.557 54.840 0.154 0.000 0.810 82 L CB 2.442 44.633 42.059 0.221 0.000 1.240 82 L HN -0.382 7.869 8.230 0.242 0.124 0.427 83 E N 5.685 125.914 120.200 0.048 0.000 1.791 83 E HA -0.011 4.358 4.350 0.033 0.000 0.263 83 E C -1.101 175.498 176.600 -0.001 0.000 1.213 83 E CA 0.126 56.541 56.400 0.024 0.000 0.991 83 E CB -0.991 28.718 29.700 0.015 0.000 1.068 83 E HN 0.345 8.731 8.360 0.043 0.000 0.417 84 L N 4.825 126.047 121.223 -0.002 0.000 2.309 84 L HA 0.357 4.662 4.340 -0.058 0.000 0.282 84 L C -1.373 175.484 176.870 -0.022 0.000 1.036 84 L CA -2.532 52.286 54.840 -0.037 0.000 0.806 84 L CB 0.802 42.823 42.059 -0.064 0.000 1.220 84 L HN -0.504 7.740 8.230 0.023 0.000 0.429 85 P HA 0.133 4.550 4.420 -0.004 0.000 0.312 85 P C -1.174 176.121 177.300 -0.008 0.000 1.307 85 P CA -0.488 62.606 63.100 -0.011 0.000 0.738 85 P CB 1.027 32.721 31.700 -0.009 0.000 1.422 86 R N -3.556 116.947 120.500 0.004 0.000 2.195 86 R HA 0.226 4.567 4.340 0.001 0.000 0.197 86 R C 0.616 176.928 176.300 0.020 0.000 0.990 86 R CA -0.219 55.886 56.100 0.008 0.000 1.048 86 R CB 1.509 31.816 30.300 0.013 0.000 0.997 86 R HN -0.151 8.274 8.270 0.008 -0.150 0.502 87 S N -1.535 114.188 115.700 0.038 0.000 2.537 87 S HA 0.246 4.762 4.470 0.077 0.000 0.301 87 S C 0.186 174.840 174.600 0.089 0.000 1.092 87 S CA -1.251 56.998 58.200 0.081 0.000 1.048 87 S CB 2.630 65.896 63.200 0.109 0.000 1.053 87 S HN -0.107 8.528 8.310 0.033 -0.306 0.501 88 T N 5.792 120.409 114.554 0.105 0.000 2.699 88 T HA -0.334 4.000 4.350 -0.026 0.000 0.268 88 T C 1.242 175.930 174.700 -0.020 0.000 1.036 88 T CA 4.372 66.479 62.100 0.012 0.000 1.147 88 T CB 0.113 68.960 68.868 -0.035 0.000 0.862 88 T HN 0.613 8.936 8.240 0.138 0.000 0.446 89 Y N -0.978 119.318 120.300 -0.008 0.000 2.315 89 Y HA -0.324 4.214 4.550 -0.019 0.000 0.288 89 Y C 1.398 177.282 175.900 -0.028 0.000 1.154 89 Y CA 2.916 61.007 58.100 -0.015 0.000 1.229 89 Y CB -0.997 37.460 38.460 -0.005 0.000 0.980 89 Y HN 0.140 8.696 8.280 0.460 0.000 0.540 90 E N -2.109 118.161 120.200 0.117 0.000 2.086 90 E HA -0.179 4.197 4.350 0.042 0.000 0.190 90 E C 2.590 179.182 176.600 -0.013 0.000 0.975 90 E CA 1.783 58.208 56.400 0.042 0.000 0.813 90 E CB 0.158 29.877 29.700 0.032 0.000 0.768 90 E HN -0.601 7.719 8.360 0.144 0.127 0.457 91 Q N -0.742 119.039 119.800 -0.033 0.000 2.077 91 Q HA -0.320 3.963 4.340 -0.095 0.000 0.206 91 Q C 2.816 178.750 176.000 -0.109 0.000 0.989 91 Q CA 2.949 58.700 55.803 -0.086 0.000 0.853 91 Q CB -0.499 28.180 28.738 -0.098 0.000 0.907 91 Q HN 0.009 8.206 8.270 -0.008 0.068 0.418 92 Q N -2.228 117.508 119.800 -0.108 0.000 2.291 92 Q HA -0.249 4.004 4.340 -0.145 0.000 0.206 92 Q C 1.746 177.686 176.000 -0.100 0.000 0.976 92 Q CA 2.872 58.599 55.803 -0.126 0.000 0.875 92 Q CB -0.655 27.992 28.738 -0.151 0.000 0.927 92 Q HN 0.349 8.561 8.270 -0.097 0.000 0.450 93 E N -1.854 118.303 120.200 -0.071 0.000 2.479 93 E HA 0.051 4.364 4.350 -0.061 0.000 0.193 93 E C 0.358 176.922 176.600 -0.061 0.000 1.049 93 E CA 0.079 56.446 56.400 -0.056 0.000 0.870 93 E CB -0.148 29.535 29.700 -0.029 0.000 0.944 93 E HN -0.611 7.564 8.360 -0.059 0.150 0.492 94 M N -3.152 116.401 119.600 -0.080 0.000 2.541 94 M HA 0.081 4.522 4.480 -0.065 0.000 0.252 94 M C 0.282 176.526 176.300 -0.094 0.000 1.125 94 M CA -0.506 54.743 55.300 -0.085 0.000 1.091 94 M CB 0.418 32.954 32.600 -0.107 0.000 1.420 94 M HN -0.399 7.649 8.290 -0.091 0.188 0.486 95 G N -2.365 106.373 108.800 -0.103 0.000 2.659 95 G HA2 0.216 4.128 3.960 -0.087 0.000 0.296 95 G HA3 0.216 4.105 3.960 -0.120 -0.001 0.296 95 G C -2.297 172.548 174.900 -0.092 0.000 1.369 95 G CA -0.590 44.449 45.100 -0.101 0.000 0.937 95 G HN -0.915 7.266 8.290 -0.105 0.046 0.485 96 K N 0.005 120.356 120.400 -0.081 0.000 2.154 96 K HA 0.353 4.627 4.320 -0.076 0.000 0.264 96 K C 0.468 177.016 176.600 -0.088 0.000 1.008 96 K CA -1.752 54.489 56.287 -0.076 0.000 0.937 96 K CB 1.468 33.931 32.500 -0.062 0.000 1.002 96 K HN -0.187 8.018 8.250 -0.075 0.000 0.469 97 S N 0.351 115.996 115.700 -0.091 0.000 2.603 97 S HA 0.511 5.143 4.470 -0.121 -0.234 0.268 97 S C -0.184 174.360 174.600 -0.094 0.000 1.317 97 S CA 0.099 58.235 58.200 -0.106 0.000 1.012 97 S CB 1.111 64.241 63.200 -0.115 0.000 0.926 97 S HN 0.066 8.325 8.310 -0.084 0.000 0.539 98 V N -5.102 114.750 119.914 -0.102 0.000 3.202 98 V HA 0.483 4.558 4.120 -0.074 0.000 0.306 98 V C -1.764 174.282 176.094 -0.079 0.000 1.283 98 V CA -2.108 60.141 62.300 -0.086 0.000 1.065 98 V CB 2.751 34.522 31.823 -0.087 0.000 1.079 98 V HN 0.509 8.528 8.190 -0.119 0.099 0.448 99 S N -1.181 114.484 115.700 -0.058 0.000 2.766 99 S HA 0.361 4.818 4.470 -0.021 0.000 0.307 99 S C 1.616 176.202 174.600 -0.023 0.000 1.121 99 S CA -2.996 55.186 58.200 -0.030 0.000 0.980 99 S CB 1.457 64.641 63.200 -0.026 0.000 1.159 99 S HN 0.114 8.389 8.310 -0.057 0.000 0.546 100 R N 0.336 120.844 120.500 0.013 0.000 2.139 100 R HA -0.265 4.047 4.340 -0.047 0.000 0.243 100 R C 2.150 178.432 176.300 -0.030 0.000 1.145 100 R CA 2.906 59.000 56.100 -0.010 0.000 0.976 100 R CB -0.426 29.889 30.300 0.025 0.000 0.866 100 R HN 0.540 8.834 8.270 0.039 0.000 0.449 101 S N -2.847 112.842 115.700 -0.019 0.000 2.436 101 S HA -0.112 4.355 4.470 -0.004 0.000 0.228 101 S C 0.714 175.300 174.600 -0.024 0.000 1.014 101 S CA 1.822 60.014 58.200 -0.014 0.000 0.950 101 S CB 0.123 63.318 63.200 -0.008 0.000 0.784 101 S HN -0.061 8.207 8.310 -0.014 0.034 0.504 102 N N -0.482 118.192 118.700 -0.043 0.000 2.273 102 N HA 0.166 4.887 4.740 -0.032 0.000 0.231 102 N C -1.185 174.276 175.510 -0.082 0.000 1.134 102 N CA -0.264 52.757 53.050 -0.048 0.000 0.856 102 N CB 1.160 39.619 38.487 -0.045 0.000 1.068 102 N HN -0.559 7.646 8.380 -0.048 0.146 0.510 103 L N -0.031 121.113 121.223 -0.132 0.000 2.490 103 L HA -0.239 3.930 4.340 -0.285 0.000 0.274 103 L C -0.186 176.615 176.870 -0.115 0.000 1.201 103 L CA 0.787 55.467 54.840 -0.268 0.000 0.869 103 L CB 0.187 41.898 42.059 -0.581 0.000 1.123 103 L HN -0.846 7.245 8.230 -0.113 0.071 0.484 104 R N 1.848 122.303 120.500 -0.076 0.000 2.604 104 R HA 0.258 4.639 4.340 0.068 0.000 0.287 104 R C -0.472 175.963 176.300 0.225 0.000 0.970 104 R CA -2.859 53.277 56.100 0.060 0.000 0.946 104 R CB 1.801 32.110 30.300 0.014 0.000 1.127 104 R HN -0.366 7.965 8.270 -0.152 -0.151 0.473 105 T N 3.450 118.121 114.554 0.195 0.000 2.761 105 T HA -0.339 4.167 4.350 0.261 0.000 0.287 105 T C 0.752 175.527 174.700 0.126 0.000 0.931 105 T CA 1.951 64.160 62.100 0.181 0.000 1.164 105 T CB -0.508 68.415 68.868 0.093 0.000 0.876 105 T HN 0.267 8.587 8.240 0.133 0.000 0.534 106 G N 7.951 116.863 108.800 0.185 0.000 2.138 106 G HA2 -0.429 3.671 3.960 0.234 0.000 0.193 106 G HA3 -0.429 3.568 3.960 0.063 0.000 0.193 106 G C -1.238 173.810 174.900 0.247 0.000 0.998 106 G CA -0.438 44.778 45.100 0.192 0.000 0.668 106 G HN 0.917 9.357 8.290 0.251 0.000 0.516 107 D N -0.341 120.184 120.400 0.208 0.000 2.339 107 D HA 0.045 4.693 4.640 0.013 0.000 0.245 107 D C -1.293 175.045 176.300 0.064 0.000 1.115 107 D CA 0.578 54.624 54.000 0.077 0.000 0.917 107 D CB 1.817 42.608 40.800 -0.015 0.000 1.192 107 D HN -0.534 8.015 8.370 0.298 0.000 0.428 108 L N 1.284 122.472 121.223 -0.057 0.000 2.259 108 L HA 0.374 4.862 4.340 -0.025 -0.163 0.288 108 L C -0.119 176.665 176.870 -0.144 0.000 1.051 108 L CA -1.137 53.648 54.840 -0.092 0.000 0.824 108 L CB 0.064 42.021 42.059 -0.170 0.000 1.206 108 L HN 0.169 8.235 8.230 -0.097 0.106 0.429 109 V N 1.572 121.381 119.914 -0.175 0.000 2.383 109 V HA 0.414 4.514 4.120 -0.249 -0.129 0.275 109 V C -1.152 174.573 176.094 -0.616 0.000 1.036 109 V CA -1.576 60.515 62.300 -0.349 0.000 0.889 109 V CB 0.668 32.247 31.823 -0.406 0.000 0.985 109 V HN 0.520 8.649 8.190 -0.103 0.000 0.459 110 L N 6.292 127.173 121.223 -0.570 0.000 2.312 110 L HA 0.698 5.058 4.340 -0.318 -0.211 0.281 110 L C -0.633 175.863 176.870 -0.624 0.000 1.070 110 L CA -0.819 53.736 54.840 -0.474 0.000 0.805 110 L CB 0.953 42.821 42.059 -0.318 0.000 1.174 110 L HN 0.666 8.617 8.230 -0.466 0.000 0.434 111 F N 1.215 121.193 119.950 0.047 0.000 2.532 111 F HA 0.537 5.306 4.527 0.060 -0.206 0.321 111 F C -0.196 175.639 175.800 0.059 0.000 1.089 111 F CA -2.190 55.872 58.000 0.103 0.000 0.926 111 F CB 3.562 42.727 39.000 0.275 0.000 1.168 111 F HN 0.979 9.238 8.300 0.118 0.112 0.459 112 R N 3.105 123.710 120.500 0.175 0.000 2.387 112 R HA -0.012 4.356 4.340 0.047 0.000 0.321 112 R C -1.049 175.285 176.300 0.057 0.000 1.174 112 R CA 0.274 56.412 56.100 0.064 0.000 1.002 112 R CB -1.134 29.161 30.300 -0.007 0.000 1.028 112 R HN 0.243 8.498 8.270 0.182 0.124 0.482 113 A N 5.062 127.948 122.820 0.109 0.000 2.363 113 A HA 0.379 4.720 4.320 0.035 0.000 0.296 113 A C -0.521 177.127 177.584 0.106 0.000 1.237 113 A CA -1.608 50.491 52.037 0.103 0.000 0.773 113 A CB 2.048 21.157 19.000 0.181 0.000 1.153 113 A HN -0.474 7.754 8.150 0.131 0.000 0.473 114 G N 2.299 111.140 108.800 0.068 0.000 2.462 114 G HA2 -0.305 3.701 3.960 0.077 0.000 0.220 114 G HA3 -0.305 3.687 3.960 0.053 0.000 0.220 114 G C 0.474 175.433 174.900 0.098 0.000 1.121 114 G CA 1.609 46.753 45.100 0.074 0.000 0.758 114 G HN 0.676 8.989 8.290 0.039 0.000 0.559 115 S N -0.600 115.164 115.700 0.107 0.000 2.399 115 S HA -0.104 4.428 4.470 0.103 0.000 0.231 115 S C 0.833 175.535 174.600 0.171 0.000 1.022 115 S CA 2.165 60.439 58.200 0.124 0.000 0.983 115 S CB 0.226 63.494 63.200 0.114 0.000 0.803 115 S HN -0.082 8.252 8.310 0.096 0.033 0.480 116 T N -5.628 109.051 114.554 0.209 0.000 3.087 116 T HA 0.280 4.772 4.350 0.236 0.000 0.283 116 T C 1.476 176.348 174.700 0.287 0.000 0.956 116 T CA -0.455 61.800 62.100 0.258 0.000 0.894 116 T CB 2.393 71.455 68.868 0.324 0.000 1.160 116 T HN -0.474 7.862 8.240 0.198 0.023 0.532 117 G N 4.082 113.017 108.800 0.226 0.000 3.548 117 G HA2 -0.513 3.546 3.960 0.166 0.000 0.224 117 G HA3 -0.513 3.664 3.960 0.362 0.000 0.224 117 G C -1.191 173.767 174.900 0.098 0.000 1.351 117 G CA 1.067 46.298 45.100 0.218 0.000 0.905 117 G HN 0.591 8.882 8.290 0.185 0.111 0.561 118 R N 3.048 123.567 120.500 0.033 0.000 2.451 118 R HA 0.620 4.940 4.340 -0.033 0.000 0.307 118 R C -1.892 174.473 176.300 0.109 0.000 0.965 118 R CA -2.137 53.913 56.100 -0.085 0.000 0.865 118 R CB 1.301 31.305 30.300 -0.494 0.000 1.174 118 R HN -0.230 8.049 8.270 0.153 0.083 0.455 119 H N 4.683 123.836 119.070 0.137 0.000 2.502 119 H HA 0.385 5.096 4.556 0.257 0.000 0.338 119 H C -1.763 173.709 175.328 0.241 0.000 1.155 119 H CA -1.477 54.730 56.048 0.264 0.000 1.237 119 H CB 3.361 33.361 29.762 0.397 0.000 1.534 119 H HN 0.331 8.794 8.280 0.305 0.000 0.523 120 V N 4.313 124.141 119.914 -0.143 0.000 2.760 120 V HA 0.696 5.047 4.120 0.018 -0.220 0.309 120 V C -2.521 173.613 176.094 0.067 0.000 1.077 120 V CA -2.707 59.582 62.300 -0.017 0.000 0.910 120 V CB 3.762 35.540 31.823 -0.075 0.000 1.008 120 V HN 0.252 8.040 8.190 -0.671 0.000 0.424 121 G N 4.749 113.646 108.800 0.162 0.000 2.563 121 G HA2 0.770 4.947 3.960 0.362 0.000 0.302 121 G HA3 0.770 4.891 3.960 0.269 0.000 0.302 121 G C -2.392 172.651 174.900 0.237 0.000 1.301 121 G CA -1.862 43.397 45.100 0.265 0.000 0.965 121 G HN 0.074 8.393 8.290 0.049 0.000 0.480 122 I N 2.365 123.149 120.570 0.357 0.000 2.294 122 I HA 0.117 4.599 4.170 0.306 -0.128 0.295 122 I C -0.747 175.575 176.117 0.341 0.000 1.098 122 I CA -0.108 61.399 61.300 0.344 0.000 1.277 122 I CB -0.150 38.077 38.000 0.378 0.000 1.434 122 I HN 0.514 8.987 8.210 0.438 0.000 0.498 123 Y N 9.996 130.400 120.300 0.174 0.000 2.677 123 Y HA -0.153 4.549 4.550 0.253 0.000 0.335 123 Y C -0.651 175.329 175.900 0.134 0.000 1.162 123 Y CA 1.191 59.385 58.100 0.157 0.000 1.483 123 Y CB 0.106 38.599 38.460 0.056 0.000 1.209 123 Y HN 0.520 9.008 8.280 0.348 0.000 0.528 124 I N 2.309 122.690 120.570 -0.315 0.000 3.526 124 I HA 0.493 4.602 4.170 -0.102 0.000 0.294 124 I C -0.270 175.585 176.117 -0.437 0.000 1.229 124 I CA 0.035 61.186 61.300 -0.250 0.000 1.408 124 I CB 1.427 39.361 38.000 -0.111 0.000 1.127 124 I HN -0.113 7.926 8.210 -0.286 0.000 0.439 125 G N -1.201 107.113 108.800 -0.811 0.000 2.433 125 G HA2 -0.010 3.657 3.960 -0.488 0.000 0.306 125 G HA3 -0.010 3.790 3.960 -0.267 0.000 0.306 125 G C -1.852 172.827 174.900 -0.369 0.000 1.627 125 G CA 0.384 45.160 45.100 -0.540 0.000 0.893 125 G HN -0.608 7.085 8.290 -0.994 0.000 0.648 126 N N 2.645 121.318 118.700 -0.046 0.000 3.797 126 N HA -0.596 4.253 4.740 0.182 0.000 0.211 126 N C -0.576 175.065 175.510 0.219 0.000 0.241 126 N CA 3.270 56.389 53.050 0.115 0.000 2.596 126 N CB -1.050 37.456 38.487 0.031 0.000 1.344 126 N HN 0.279 8.712 8.380 0.089 0.000 0.365 127 N N -0.451 118.317 118.700 0.113 0.000 2.036 127 N HA 0.168 5.088 4.740 0.300 0.000 0.228 127 N C -1.322 174.299 175.510 0.184 0.000 1.368 127 N CA 0.114 53.279 53.050 0.192 0.000 0.846 127 N CB 3.453 42.015 38.487 0.125 0.000 1.145 127 N HN 0.061 8.428 8.380 0.013 0.020 0.502 128 Q N 0.462 120.249 119.800 -0.021 0.000 2.235 128 Q HA 0.874 5.228 4.340 -0.364 -0.233 0.250 128 Q C -1.181 174.759 176.000 -0.100 0.000 0.909 128 Q CA -0.057 55.635 55.803 -0.186 0.000 0.910 128 Q CB 2.360 30.977 28.738 -0.201 0.000 1.223 128 Q HN -0.175 8.040 8.270 -0.091 0.000 0.432 129 F N -2.114 117.764 119.950 -0.120 0.000 2.641 129 F HA 0.669 5.258 4.527 -0.078 -0.109 0.308 129 F C -2.794 172.991 175.800 -0.025 0.000 1.105 129 F CA -1.783 56.182 58.000 -0.059 0.000 0.964 129 F CB 3.037 42.057 39.000 0.033 0.000 1.294 129 F HN 0.833 8.568 8.300 -0.942 0.000 0.442 130 V N 1.989 122.000 119.914 0.163 0.000 2.439 130 V HA 0.701 4.915 4.120 -0.134 -0.175 0.282 130 V C -1.648 174.631 176.094 0.308 0.000 1.039 130 V CA -2.354 59.968 62.300 0.037 0.000 0.913 130 V CB 1.843 33.586 31.823 -0.134 0.000 0.983 130 V HN 0.158 8.479 8.190 0.218 0.000 0.460 131 H N 3.891 122.899 119.070 -0.103 0.000 2.902 131 H HA 0.378 5.025 4.556 0.151 0.000 0.297 131 H C -2.869 172.350 175.328 -0.182 0.000 1.406 131 H CA -1.409 54.642 56.048 0.004 0.000 1.134 131 H CB 2.166 32.078 29.762 0.250 0.000 1.833 131 H HN 0.994 9.145 8.280 -0.215 0.000 0.527 132 A N -0.599 122.174 122.820 -0.078 0.000 2.260 132 A HA 0.196 4.390 4.320 -0.209 0.000 0.312 132 A C -1.407 176.298 177.584 0.201 0.000 1.321 132 A CA -1.023 51.022 52.037 0.013 0.000 0.928 132 A CB -0.124 19.015 19.000 0.232 0.000 1.158 132 A HN 0.478 8.777 8.150 0.248 0.000 0.542 133 S N 5.484 121.117 115.700 -0.112 0.000 2.562 133 S HA 0.194 4.684 4.470 0.035 0.000 0.275 133 S C 1.124 175.667 174.600 -0.095 0.000 1.281 133 S CA -0.305 57.856 58.200 -0.066 0.000 1.045 133 S CB 1.394 64.547 63.200 -0.078 0.000 0.962 133 S HN 0.179 8.238 8.310 -0.230 0.113 0.503 134 T N 1.953 116.311 114.554 -0.327 0.000 2.624 134 T HA -0.438 3.465 4.350 -0.745 0.000 0.268 134 T C 1.467 176.141 174.700 -0.043 0.000 1.041 134 T CA 4.084 65.960 62.100 -0.373 0.000 1.159 134 T CB -0.151 68.533 68.868 -0.306 0.000 0.863 134 T HN 0.422 8.493 8.240 -0.282 0.000 0.434 135 S N 2.015 117.688 115.700 -0.045 0.000 2.346 135 S HA -0.199 4.282 4.470 0.017 0.000 0.204 135 S C 1.819 176.427 174.600 0.014 0.000 1.008 135 S CA 1.524 59.720 58.200 -0.008 0.000 0.925 135 S CB -0.555 62.622 63.200 -0.038 0.000 0.903 135 S HN -0.146 8.115 8.310 -0.081 0.000 0.537 136 S N 3.126 118.823 115.700 -0.005 0.000 2.419 136 S HA -0.261 4.211 4.470 0.005 0.000 0.235 136 S C 0.542 175.152 174.600 0.016 0.000 1.019 136 S CA 1.488 59.688 58.200 0.001 0.000 0.982 136 S CB 0.189 63.382 63.200 -0.012 0.000 0.789 136 S HN 0.210 8.506 8.310 -0.023 0.000 0.490 137 G N -0.669 108.146 108.800 0.026 0.000 2.500 137 G HA2 -0.306 3.789 3.960 0.121 0.000 0.209 137 G HA3 -0.306 3.773 3.960 0.062 -0.082 0.209 137 G C -1.413 173.470 174.900 -0.030 0.000 1.283 137 G CA -0.731 44.401 45.100 0.053 0.000 0.960 137 G HN -0.821 7.445 8.290 0.018 0.035 0.528 138 V N 3.697 123.594 119.914 -0.028 0.000 2.409 138 V HA 0.048 4.173 4.120 -0.351 -0.216 0.270 138 V C 0.539 176.578 176.094 -0.091 0.000 1.019 138 V CA 2.015 64.207 62.300 -0.179 0.000 1.066 138 V CB -1.214 30.497 31.823 -0.186 0.000 1.021 138 V HN -0.035 8.181 8.190 0.043 0.000 0.476 139 I N 0.995 121.373 120.570 -0.319 0.000 3.343 139 I HA 0.757 4.917 4.170 -0.015 0.000 0.315 139 I C -1.833 174.050 176.117 -0.390 0.000 1.153 139 I CA -3.259 57.902 61.300 -0.232 0.000 0.952 139 I CB 4.596 42.505 38.000 -0.150 0.000 1.287 139 I HN 0.678 8.572 8.210 -0.527 0.000 0.472 140 I N 0.356 120.755 120.570 -0.284 0.000 2.354 140 I HA 0.480 4.649 4.170 -0.326 -0.195 0.286 140 I C -0.148 175.741 176.117 -0.380 0.000 1.007 140 I CA -0.720 60.389 61.300 -0.318 0.000 1.167 140 I CB 0.758 38.611 38.000 -0.247 0.000 1.320 140 I HN 0.173 8.281 8.210 -0.170 0.000 0.458 141 S N 9.004 124.296 115.700 -0.679 0.000 2.745 141 S HA 0.464 4.671 4.470 -0.438 0.000 0.292 141 S C -1.795 172.108 174.600 -1.161 0.000 1.133 141 S CA -0.582 57.099 58.200 -0.865 0.000 0.998 141 S CB 2.407 64.947 63.200 -1.100 0.000 1.087 141 S HN 0.572 8.430 8.310 -0.754 0.000 0.551 142 S N -0.812 114.519 115.700 -0.614 0.000 2.538 142 S HA 0.570 5.047 4.470 -0.325 -0.202 0.288 142 S C 1.315 176.003 174.600 0.147 0.000 1.108 142 S CA -2.119 55.938 58.200 -0.238 0.000 0.971 142 S CB 1.427 64.576 63.200 -0.085 0.000 1.041 142 S HN 0.396 8.823 8.310 -0.351 -0.327 0.483 143 M N 5.754 125.554 119.600 0.334 0.000 2.632 143 M HA -0.223 4.573 4.480 0.527 0.000 0.256 143 M C 0.312 176.758 176.300 0.244 0.000 1.080 143 M CA 2.820 58.343 55.300 0.372 0.000 1.084 143 M CB -0.178 32.559 32.600 0.229 0.000 1.439 143 M HN 0.705 9.054 8.290 0.308 0.126 0.509 144 N N -1.427 117.377 118.700 0.174 0.000 2.457 144 N HA -0.152 4.660 4.740 0.121 0.000 0.180 144 N C 0.184 175.781 175.510 0.145 0.000 1.050 144 N CA 1.858 54.986 53.050 0.130 0.000 0.906 144 N CB 0.357 38.894 38.487 0.084 0.000 0.968 144 N HN -0.673 7.733 8.380 0.148 0.062 0.445 145 E N 0.955 121.277 120.200 0.204 0.000 2.299 145 E HA 0.123 4.560 4.350 0.145 0.000 0.272 145 E C -0.972 175.748 176.600 0.201 0.000 1.043 145 E CA -1.551 54.978 56.400 0.215 0.000 0.895 145 E CB -0.252 29.647 29.700 0.331 0.000 1.011 145 E HN -0.668 7.682 8.360 0.234 0.150 0.432 146 P HA -0.272 4.200 4.420 0.086 0.000 0.217 146 P C 1.048 178.383 177.300 0.058 0.000 1.151 146 P CA 2.846 65.998 63.100 0.086 0.000 0.849 146 P CB 0.140 31.874 31.700 0.057 0.000 0.787 147 Y N -2.109 118.111 120.300 -0.134 0.000 2.145 147 Y HA -0.310 4.097 4.550 -0.240 0.000 0.286 147 Y C 1.768 177.476 175.900 -0.320 0.000 1.145 147 Y CA 3.598 61.501 58.100 -0.329 0.000 1.148 147 Y CB -0.048 38.054 38.460 -0.597 0.000 0.981 147 Y HN -0.118 8.207 8.280 0.105 0.018 0.507 148 W N -3.790 117.593 121.300 0.137 0.000 2.576 148 W HA -0.282 4.354 4.660 -0.039 0.000 0.270 148 W C 1.769 178.403 176.519 0.192 0.000 1.255 148 W CA 1.744 59.142 57.345 0.089 0.000 1.314 148 W CB 0.303 29.852 29.460 0.147 0.000 1.101 148 W HN -0.490 7.756 8.180 0.110 0.000 0.595 149 K N 0.692 121.294 120.400 0.335 0.000 2.057 149 K HA -0.387 4.171 4.320 0.312 -0.051 0.207 149 K C 1.025 177.749 176.600 0.206 0.000 1.049 149 K CA 3.051 59.495 56.287 0.262 0.000 0.931 149 K CB 0.079 32.685 32.500 0.177 0.000 0.714 149 K HN 0.043 8.466 8.250 0.288 0.000 0.440 150 K N -5.598 114.860 120.400 0.098 0.000 2.305 150 K HA -0.049 4.306 4.320 0.058 0.000 0.199 150 K C 1.965 178.582 176.600 0.029 0.000 1.047 150 K CA 2.002 58.308 56.287 0.032 0.000 0.976 150 K CB -0.089 32.383 32.500 -0.048 0.000 0.765 150 K HN -0.605 7.677 8.250 0.054 0.000 0.474 151 R N -0.020 120.520 120.500 0.067 0.000 2.090 151 R HA -0.172 4.175 4.340 0.010 0.000 0.228 151 R C 0.838 177.358 176.300 0.366 0.000 1.110 151 R CA 1.346 57.544 56.100 0.163 0.000 0.973 151 R CB -0.074 30.330 30.300 0.174 0.000 0.869 151 R HN -0.661 7.511 8.270 0.059 0.133 0.440 152 Y N 1.252 121.756 120.300 0.340 0.000 2.828 152 Y HA -0.204 4.354 4.550 -0.206 -0.132 0.359 152 Y C -0.704 175.154 175.900 -0.069 0.000 1.258 152 Y CA 0.694 58.832 58.100 0.064 0.000 1.652 152 Y CB -1.159 37.361 38.460 0.100 0.000 1.232 152 Y HN -0.071 8.567 8.280 0.597 0.000 0.513 153 N N 6.816 125.205 118.700 -0.518 0.000 2.258 153 N HA -0.108 4.424 4.740 -0.347 0.000 0.183 153 N C -0.620 174.446 175.510 -0.739 0.000 1.029 153 N CA 1.602 54.361 53.050 -0.485 0.000 0.857 153 N CB 2.146 40.452 38.487 -0.300 0.000 1.008 153 N HN 0.242 8.343 8.380 -0.464 0.000 0.433 154 E N -5.943 113.729 120.200 -0.880 0.000 2.432 154 E HA 0.167 4.017 4.350 -0.833 0.000 0.279 154 E C -3.062 173.248 176.600 -0.483 0.000 1.099 154 E CA -0.985 54.995 56.400 -0.700 0.000 0.859 154 E CB 2.241 31.713 29.700 -0.380 0.000 1.402 154 E HN -0.873 6.997 8.360 -0.817 0.000 0.451 155 A N -1.294 121.378 122.820 -0.247 0.000 2.380 155 A HA 0.717 5.073 4.320 -0.169 -0.138 0.315 155 A C -1.584 175.906 177.584 -0.158 0.000 1.101 155 A CA -1.661 50.286 52.037 -0.150 0.000 0.771 155 A CB 3.643 22.589 19.000 -0.090 0.000 1.287 155 A HN 0.057 8.070 8.150 -0.227 0.000 0.436 156 R N -0.821 119.588 120.500 -0.151 0.000 2.512 156 R HA 0.560 5.027 4.340 -0.125 -0.202 0.291 156 R C -0.927 175.296 176.300 -0.128 0.000 1.097 156 R CA -0.873 55.145 56.100 -0.137 0.000 0.940 156 R CB 3.996 34.208 30.300 -0.146 0.000 1.198 156 R HN 0.443 8.650 8.270 -0.150 -0.027 0.429 157 R N 5.574 126.009 120.500 -0.108 0.000 2.220 157 R HA 0.236 4.519 4.340 -0.094 0.000 0.340 157 R C -0.601 175.633 176.300 -0.111 0.000 1.076 157 R CA -1.093 54.950 56.100 -0.096 0.000 0.920 157 R CB -0.227 30.031 30.300 -0.070 0.000 1.062 157 R HN 0.319 8.529 8.270 -0.101 0.000 0.469 158 V N -2.272 117.548 119.914 -0.156 0.000 3.406 158 V HA -0.047 3.992 4.120 -0.136 0.000 0.263 158 V C -0.463 175.559 176.094 -0.120 0.000 1.172 158 V CA 0.427 62.624 62.300 -0.171 0.000 1.140 158 V CB 0.393 32.042 31.823 -0.290 0.000 0.784 158 V HN 0.003 8.082 8.190 -0.185 0.000 0.467 159 L N 0.071 121.240 121.223 -0.090 0.000 2.305 159 L HA 0.047 4.363 4.340 -0.041 0.000 0.281 159 L C -0.187 176.656 176.870 -0.044 0.000 1.085 159 L CA -0.706 54.101 54.840 -0.055 0.000 0.813 159 L CB 0.016 42.036 42.059 -0.066 0.000 1.157 159 L HN -0.769 7.361 8.230 -0.093 0.044 0.436 160 S N 2.866 118.548 115.700 -0.029 0.000 2.430 160 S HA -0.024 4.431 4.470 -0.026 0.000 0.282 160 S C 0.677 175.268 174.600 -0.015 0.000 1.186 160 S CA 0.003 58.190 58.200 -0.021 0.000 1.060 160 S CB 0.084 63.277 63.200 -0.011 0.000 0.966 160 S HN 0.317 8.614 8.310 -0.021 0.000 0.501 161 R N 6.738 127.229 120.500 -0.016 0.000 2.148 161 R HA -0.104 4.230 4.340 -0.009 0.000 0.227 161 R C 0.091 176.390 176.300 -0.003 0.000 1.103 161 R CA 0.915 57.009 56.100 -0.010 0.000 0.983 161 R CB 0.267 30.560 30.300 -0.010 0.000 0.874 161 R HN 0.541 8.799 8.270 -0.020 0.000 0.451 162 S N -0.756 114.942 115.700 -0.004 0.000 2.537 162 S HA 0.042 4.513 4.470 0.002 0.000 0.275 162 S C -1.734 172.868 174.600 0.004 0.000 1.272 162 S CA 0.174 58.374 58.200 0.000 0.000 1.050 162 S CB 0.786 63.984 63.200 -0.002 0.000 0.961 162 S HN -0.142 8.136 8.310 -0.007 0.028 0.496 163 L N -1.380 119.848 121.223 0.007 0.000 2.371 163 L HA 0.483 4.829 4.340 0.011 0.000 0.262 163 L C -1.379 175.496 176.870 0.009 0.000 1.006 163 L CA -0.717 54.130 54.840 0.011 0.000 0.818 163 L CB 2.024 44.093 42.059 0.016 0.000 1.354 163 L HN -0.000 8.234 8.230 0.007 0.000 0.415 164 E N 0.000 120.206 120.200 0.010 0.000 2.725 164 E HA 0.000 4.354 4.350 0.007 0.000 0.291 164 E CA 0.000 56.405 56.400 0.009 0.000 0.976 164 E CB 0.000 29.705 29.700 0.008 0.000 0.812 164 E HN 0.000 8.367 8.360 0.012 0.000 0.440