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 2ep6_1_A DATA FIRST_RESID 85 DATA SEQUENCE GSSGSSGDVK DVGILQVKVL KAADLLAADF SGKSDPFCLL ELGNDRLQTH DATA SEQUENCE TVYKNLNPEW NKVFTFPIKD IHDVLEVTVF DEDGDKPPDF LGKVAIPLLS DATA SEQUENCE IRDGQPNCYV LKNKDLEQAF KGVIYLEMDL IYN 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 85 G HA2 0.000 nan 3.960 nan 0.000 0.244 85 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 85 G C 0.000 174.901 174.900 0.002 0.000 0.946 85 G CA 0.000 45.101 45.100 0.001 0.000 0.502 86 S N 0.983 116.684 115.700 0.002 0.000 2.368 86 S HA -0.094 4.377 4.470 0.002 0.000 0.226 86 S C 0.676 175.277 174.600 0.002 0.000 1.044 86 S CA 0.805 59.006 58.200 0.002 0.000 1.062 86 S CB -0.130 63.071 63.200 0.002 0.000 0.931 86 S HN -0.080 8.230 8.310 0.001 0.000 0.440 87 S N 2.688 118.389 115.700 0.002 0.000 2.553 87 S HA -0.140 4.331 4.470 0.003 0.000 0.293 87 S C 0.179 174.781 174.600 0.003 0.000 1.296 87 S CA 0.466 58.667 58.200 0.003 0.000 1.046 87 S CB 0.739 63.941 63.200 0.002 0.000 0.810 87 S HN -0.379 7.933 8.310 0.002 0.000 0.505 88 G N 0.768 109.570 108.800 0.003 0.000 2.543 88 G HA2 0.105 4.067 3.960 0.004 0.000 0.290 88 G HA3 0.105 4.067 3.960 0.004 0.000 0.290 88 G C -0.915 173.987 174.900 0.004 0.000 1.310 88 G CA -0.507 44.595 45.100 0.004 0.000 1.025 88 G HN -0.286 8.006 8.290 0.003 0.000 0.502 89 S N -0.084 115.618 115.700 0.004 0.000 2.596 89 S HA 0.089 4.562 4.470 0.004 0.000 0.248 89 S C 0.095 174.698 174.600 0.005 0.000 1.162 89 S CA -0.701 57.502 58.200 0.005 0.000 1.185 89 S CB -0.357 62.846 63.200 0.005 0.000 0.833 89 S HN -0.028 8.285 8.310 0.005 0.000 0.472 90 S N 0.575 116.278 115.700 0.005 0.000 2.549 90 S HA -0.078 4.396 4.470 0.006 0.000 0.286 90 S C 0.496 175.099 174.600 0.005 0.000 1.314 90 S CA 0.995 59.198 58.200 0.005 0.000 1.062 90 S CB 0.988 64.191 63.200 0.005 0.000 0.865 90 S HN -0.308 7.912 8.310 0.005 0.093 0.498 91 G N 7.093 115.897 108.800 0.006 0.000 3.815 91 G HA2 -0.150 3.813 3.960 0.005 0.000 0.112 91 G HA3 -0.150 3.814 3.960 0.005 0.000 0.112 91 G C -0.936 173.968 174.900 0.006 0.000 2.124 91 G CA 0.060 45.163 45.100 0.005 0.000 0.991 91 G HN 0.295 8.589 8.290 0.006 0.000 0.287 92 D N 2.459 122.863 120.400 0.006 0.000 2.382 92 D HA -0.048 4.596 4.640 0.006 0.000 0.245 92 D C 0.450 176.754 176.300 0.007 0.000 1.120 92 D CA -0.329 53.675 54.000 0.007 0.000 0.890 92 D CB 0.559 41.364 40.800 0.007 0.000 1.201 92 D HN 0.018 8.392 8.370 0.006 0.000 0.433 93 V N 0.391 120.310 119.914 0.007 0.000 2.992 93 V HA -0.291 3.834 4.120 0.008 0.000 0.294 93 V C -0.891 175.208 176.094 0.009 0.000 1.254 93 V CA 1.065 63.370 62.300 0.008 0.000 1.359 93 V CB 0.820 32.648 31.823 0.007 0.000 0.914 93 V HN 0.068 8.262 8.190 0.007 0.000 0.519 94 K N 6.907 127.313 120.400 0.011 0.000 2.285 94 K HA 0.021 4.348 4.320 0.012 0.000 0.286 94 K C -0.577 176.032 176.600 0.014 0.000 1.072 94 K CA -0.365 55.930 56.287 0.013 0.000 0.913 94 K CB -0.005 32.505 32.500 0.016 0.000 1.067 94 K HN 0.032 8.288 8.250 0.010 0.000 0.479 95 D N 3.375 123.782 120.400 0.012 0.000 2.390 95 D HA -0.216 4.427 4.640 0.005 0.000 0.236 95 D C 0.132 176.440 176.300 0.013 0.000 1.189 95 D CA 0.881 54.885 54.000 0.008 0.000 0.887 95 D CB 0.577 41.379 40.800 0.004 0.000 1.198 95 D HN 0.189 8.566 8.370 0.012 0.000 0.444 96 V N -0.252 119.663 119.914 0.002 0.000 2.591 96 V HA -0.120 4.037 4.120 0.063 0.000 0.249 96 V C -0.878 175.204 176.094 -0.019 0.000 1.053 96 V CA 0.164 62.476 62.300 0.020 0.000 1.068 96 V CB 1.195 33.019 31.823 0.003 0.000 0.689 96 V HN -0.220 7.963 8.190 -0.011 0.000 0.462 97 G N -3.970 104.779 108.800 -0.085 0.000 2.341 97 G HA2 0.197 4.190 3.960 -0.074 0.000 0.299 97 G HA3 0.197 4.152 3.960 -0.334 -0.195 0.299 97 G C -3.137 171.702 174.900 -0.102 0.000 1.274 97 G CA 0.133 45.144 45.100 -0.149 0.000 0.853 97 G HN -0.931 7.323 8.290 -0.061 0.000 0.493 98 I N -2.081 118.426 120.570 -0.105 0.000 2.533 98 I HA 0.448 4.707 4.170 -0.018 -0.100 0.290 98 I C -2.101 173.995 176.117 -0.035 0.000 1.056 98 I CA -2.058 59.217 61.300 -0.043 0.000 1.057 98 I CB 3.818 41.805 38.000 -0.021 0.000 1.240 98 I HN -0.127 7.879 8.210 -0.145 0.117 0.423 99 L N 6.738 127.976 121.223 0.025 0.000 2.255 99 L HA 0.487 4.976 4.340 0.012 -0.142 0.289 99 L C -2.050 174.887 176.870 0.112 0.000 1.046 99 L CA -1.374 53.502 54.840 0.059 0.000 0.816 99 L CB 1.694 43.805 42.059 0.086 0.000 1.197 99 L HN 0.501 8.766 8.230 0.059 0.000 0.427 100 Q N 7.852 127.695 119.800 0.073 0.000 2.360 100 Q HA 0.258 4.750 4.340 0.067 -0.112 0.254 100 Q C -1.549 174.519 176.000 0.114 0.000 0.975 100 Q CA -0.944 54.903 55.803 0.074 0.000 0.912 100 Q CB 1.357 30.115 28.738 0.033 0.000 1.212 100 Q HN 0.472 8.769 8.270 0.045 0.000 0.452 101 V N 6.775 126.798 119.914 0.181 0.000 2.612 101 V HA 0.200 4.418 4.120 0.165 0.000 0.301 101 V C -1.571 174.632 176.094 0.182 0.000 1.046 101 V CA -2.025 60.402 62.300 0.211 0.000 0.946 101 V CB 1.556 33.566 31.823 0.313 0.000 1.003 101 V HN 1.090 9.404 8.190 0.207 0.000 0.459 102 K N 5.960 126.453 120.400 0.155 0.000 2.640 102 K HA 0.487 5.028 4.320 0.097 -0.163 0.245 102 K C -2.105 174.579 176.600 0.141 0.000 0.962 102 K CA -1.228 55.130 56.287 0.118 0.000 0.896 102 K CB 3.263 35.809 32.500 0.076 0.000 1.147 102 K HN 0.538 8.881 8.250 0.155 0.000 0.445 103 V N 7.623 127.636 119.914 0.164 0.000 2.415 103 V HA -0.060 4.143 4.120 0.138 0.000 0.267 103 V C -1.486 174.741 176.094 0.223 0.000 1.042 103 V CA 0.453 62.851 62.300 0.162 0.000 1.000 103 V CB 0.964 32.840 31.823 0.089 0.000 1.015 103 V HN 0.003 8.302 8.190 0.182 0.000 0.478 104 L N 8.638 129.996 121.223 0.225 0.000 2.051 104 L HA 0.211 4.821 4.340 0.170 -0.168 0.202 104 L C 0.238 177.285 176.870 0.295 0.000 1.097 104 L CA 1.661 56.626 54.840 0.209 0.000 0.762 104 L CB 0.665 42.811 42.059 0.145 0.000 0.913 104 L HN -0.155 8.198 8.230 0.204 0.000 0.447 105 K N -8.118 112.492 120.400 0.350 0.000 2.755 105 K HA 0.362 4.969 4.320 0.479 0.000 0.294 105 K C -2.490 174.353 176.600 0.405 0.000 1.060 105 K CA -0.979 55.509 56.287 0.335 0.000 0.845 105 K CB 2.350 34.895 32.500 0.075 0.000 1.539 105 K HN -0.827 7.623 8.250 0.333 0.000 0.379 106 A N -2.029 120.939 122.820 0.247 0.000 2.371 106 A HA 0.438 4.932 4.320 0.289 0.000 0.311 106 A C -2.476 175.189 177.584 0.135 0.000 1.068 106 A CA -1.349 50.837 52.037 0.248 0.000 0.744 106 A CB 2.858 22.043 19.000 0.308 0.000 1.239 106 A HN 0.240 8.383 8.150 -0.012 0.000 0.435 107 A N 0.636 123.557 122.820 0.169 0.000 2.356 107 A HA 0.854 5.436 4.320 0.086 -0.210 0.323 107 A C -0.917 176.711 177.584 0.074 0.000 1.119 107 A CA -2.385 49.733 52.037 0.135 0.000 0.790 107 A CB 3.167 22.321 19.000 0.256 0.000 1.273 107 A HN -0.431 7.821 8.150 0.171 0.000 0.452 108 D N -0.421 120.012 120.400 0.054 0.000 2.689 108 D HA -0.388 4.273 4.640 0.035 0.000 0.237 108 D C -1.230 175.092 176.300 0.035 0.000 1.148 108 D CA 1.048 55.072 54.000 0.040 0.000 0.656 108 D CB -0.500 40.324 40.800 0.039 0.000 1.050 108 D HN 0.404 8.805 8.370 0.052 0.000 0.426 109 L N -1.833 119.408 121.223 0.029 0.000 2.313 109 L HA -0.005 4.348 4.340 0.022 0.000 0.282 109 L C 0.298 177.187 176.870 0.032 0.000 1.092 109 L CA -0.171 54.684 54.840 0.025 0.000 0.831 109 L CB 0.081 42.150 42.059 0.017 0.000 1.159 109 L HN 0.042 8.287 8.230 0.025 0.000 0.442 110 L N 4.453 125.705 121.223 0.049 0.000 2.529 110 L HA -0.162 4.216 4.340 0.064 0.000 0.287 110 L C -0.464 176.434 176.870 0.046 0.000 1.241 110 L CA 0.266 55.147 54.840 0.067 0.000 0.857 110 L CB 1.072 43.208 42.059 0.127 0.000 1.113 110 L HN 0.104 8.364 8.230 0.051 0.000 0.504 111 A N 2.993 125.840 122.820 0.045 0.000 2.260 111 A HA 0.145 4.479 4.320 0.023 0.000 0.314 111 A C -0.958 176.635 177.584 0.016 0.000 1.257 111 A CA -0.719 51.336 52.037 0.029 0.000 0.871 111 A CB 1.015 20.033 19.000 0.031 0.000 1.166 111 A HN 0.086 8.267 8.150 0.052 0.000 0.522 112 A N 4.962 127.779 122.820 -0.006 0.000 1.874 112 A HA -0.120 4.192 4.320 -0.013 0.000 0.214 112 A C 0.109 177.598 177.584 -0.158 0.000 1.189 112 A CA 1.131 53.144 52.037 -0.040 0.000 0.615 112 A CB 0.597 19.586 19.000 -0.017 0.000 0.830 112 A HN 0.409 8.560 8.150 0.002 0.000 0.443 113 D N -2.180 118.118 120.400 -0.171 0.000 2.383 113 D HA -0.012 4.261 4.640 -0.612 0.000 0.248 113 D C 0.991 177.136 176.300 -0.260 0.000 1.170 113 D CA -1.047 52.750 54.000 -0.337 0.000 0.977 113 D CB 1.677 42.373 40.800 -0.173 0.000 1.120 113 D HN -0.711 7.606 8.370 -0.088 0.000 0.481 114 F N -1.102 118.870 119.950 0.036 0.000 2.234 114 F HA -0.163 4.381 4.527 0.030 0.000 0.296 114 F C 1.192 177.008 175.800 0.027 0.000 1.089 114 F CA 0.884 58.901 58.000 0.030 0.000 1.343 114 F CB 0.309 39.325 39.000 0.026 0.000 1.040 114 F HN 0.095 7.961 8.300 -0.724 0.000 0.498 115 S N 0.343 116.145 115.700 0.170 0.000 2.368 115 S HA -0.269 4.274 4.470 0.120 0.000 0.226 115 S C 0.835 175.482 174.600 0.078 0.000 1.044 115 S CA 2.088 60.353 58.200 0.109 0.000 1.062 115 S CB 0.286 63.530 63.200 0.073 0.000 0.931 115 S HN -0.516 8.055 8.310 0.136 -0.180 0.440 116 G N -4.540 104.293 108.800 0.055 0.000 2.207 116 G HA2 -0.143 3.844 3.960 0.046 0.000 0.193 116 G HA3 -0.143 3.844 3.960 0.045 0.000 0.193 116 G C -1.805 173.113 174.900 0.029 0.000 1.050 116 G CA -0.417 44.709 45.100 0.044 0.000 0.780 116 G HN -0.249 8.065 8.290 0.040 0.000 0.504 117 K N -1.408 119.006 120.400 0.024 0.000 2.466 117 K HA 0.384 4.716 4.320 0.020 0.000 0.260 117 K C -1.959 174.655 176.600 0.024 0.000 1.011 117 K CA -1.458 54.843 56.287 0.024 0.000 0.871 117 K CB 3.129 35.648 32.500 0.032 0.000 1.404 117 K HN -0.473 7.789 8.250 0.019 0.000 0.450 118 S N -1.992 113.729 115.700 0.035 0.000 2.611 118 S HA 0.197 4.700 4.470 0.056 0.000 0.268 118 S C -2.387 172.257 174.600 0.073 0.000 1.156 118 S CA -0.161 58.070 58.200 0.052 0.000 0.817 118 S CB 2.971 66.196 63.200 0.041 0.000 1.122 118 S HN 0.188 8.517 8.310 0.032 0.000 0.466 119 D N 0.907 121.374 120.400 0.110 0.000 2.795 119 D HA 0.887 5.743 4.640 0.035 -0.195 0.335 119 D C -1.636 174.784 176.300 0.201 0.000 1.262 119 D CA -2.594 51.470 54.000 0.106 0.000 0.885 119 D CB 0.353 41.253 40.800 0.167 0.000 1.047 119 D HN 0.481 8.923 8.370 0.121 0.000 0.500 120 P HA 0.684 5.454 4.420 0.229 -0.213 0.274 120 P C -1.554 176.049 177.300 0.505 0.000 1.260 120 P CA -0.498 62.758 63.100 0.260 0.000 0.793 120 P CB 1.140 32.925 31.700 0.142 0.000 1.048 121 F N -7.765 112.314 119.950 0.214 0.000 2.690 121 F HA 0.325 5.136 4.527 0.474 0.000 0.311 121 F C -2.591 173.092 175.800 -0.195 0.000 1.111 121 F CA -0.966 57.132 58.000 0.162 0.000 1.003 121 F CB 0.973 40.034 39.000 0.102 0.000 1.283 121 F HN -0.380 7.768 8.300 -0.254 0.000 0.442 122 C N 2.611 121.562 119.300 -0.582 0.000 2.435 122 C HA 0.354 4.391 4.460 -0.704 0.000 0.375 122 C C -2.048 172.717 174.990 -0.376 0.000 1.281 122 C CA 0.554 59.137 59.018 -0.726 0.000 1.963 122 C CB 1.513 28.588 27.740 -1.108 0.000 2.490 122 C HN 0.351 8.108 8.230 -0.788 0.000 0.557 123 L N 6.733 127.760 121.223 -0.326 0.000 2.353 123 L HA 0.382 4.642 4.340 -0.133 0.000 0.270 123 L C -2.325 174.405 176.870 -0.233 0.000 1.003 123 L CA -0.940 53.811 54.840 -0.147 0.000 0.862 123 L CB 2.067 44.213 42.059 0.144 0.000 1.221 123 L HN -0.013 7.944 8.230 -0.454 0.000 0.430 124 L N 7.593 128.620 121.223 -0.327 0.000 2.319 124 L HA 0.143 4.296 4.340 -0.312 0.000 0.280 124 L C -0.967 175.684 176.870 -0.364 0.000 1.099 124 L CA 0.348 54.972 54.840 -0.360 0.000 0.828 124 L CB 0.408 42.222 42.059 -0.409 0.000 1.150 124 L HN 0.995 8.981 8.230 -0.407 0.000 0.442 125 E N 3.300 123.291 120.200 -0.348 0.000 2.244 125 E HA 0.388 4.542 4.350 -0.326 0.000 0.260 125 E C -2.111 174.278 176.600 -0.351 0.000 0.884 125 E CA -0.685 55.532 56.400 -0.306 0.000 0.777 125 E CB 2.841 32.449 29.700 -0.153 0.000 1.197 125 E HN -0.056 8.114 8.360 -0.316 0.000 0.416 126 L N 4.433 125.394 121.223 -0.437 0.000 2.409 126 L HA 0.377 4.568 4.340 -0.248 0.000 0.262 126 L C -0.894 175.858 176.870 -0.197 0.000 0.992 126 L CA -1.408 53.226 54.840 -0.344 0.000 0.817 126 L CB 3.387 45.151 42.059 -0.491 0.000 1.350 126 L HN -0.175 7.765 8.230 -0.483 0.000 0.411 127 G N 2.818 111.549 108.800 -0.115 0.000 2.752 127 G HA2 -0.508 3.426 3.960 -0.044 0.000 0.349 127 G HA3 -0.508 3.432 3.960 -0.034 0.000 0.349 127 G C -0.025 174.847 174.900 -0.046 0.000 1.181 127 G CA 2.336 47.402 45.100 -0.056 0.000 0.949 127 G HN 0.493 8.714 8.290 -0.115 0.000 0.562 128 N N 3.077 121.762 118.700 -0.025 0.000 2.325 128 N HA 0.019 4.745 4.740 -0.024 0.000 0.220 128 N C -0.060 175.448 175.510 -0.003 0.000 1.176 128 N CA -0.235 52.807 53.050 -0.013 0.000 0.861 128 N CB 1.723 40.212 38.487 0.004 0.000 1.230 128 N HN 0.217 8.592 8.380 -0.009 0.000 0.479 129 D N 2.300 122.714 120.400 0.023 0.000 2.283 129 D HA 0.149 4.825 4.640 0.062 0.000 0.248 129 D C -1.526 174.781 176.300 0.012 0.000 1.072 129 D CA 0.823 54.868 54.000 0.075 0.000 0.929 129 D CB 1.410 42.331 40.800 0.201 0.000 1.182 129 D HN -0.353 8.036 8.370 0.031 0.000 0.433 130 R N -1.275 119.256 120.500 0.052 0.000 2.698 130 R HA 0.597 4.947 4.340 -0.156 -0.103 0.275 130 R C -1.408 174.921 176.300 0.048 0.000 1.001 130 R CA -1.075 55.010 56.100 -0.025 0.000 0.896 130 R CB 3.020 33.287 30.300 -0.055 0.000 1.218 130 R HN -0.018 8.304 8.270 0.087 0.000 0.462 131 L N 1.438 122.631 121.223 -0.050 0.000 2.482 131 L HA 0.389 4.711 4.340 -0.030 0.000 0.263 131 L C -1.960 174.674 176.870 -0.394 0.000 0.957 131 L CA -0.346 54.406 54.840 -0.148 0.000 0.836 131 L CB 4.422 46.406 42.059 -0.126 0.000 1.324 131 L HN 0.974 9.000 8.230 -0.160 0.108 0.406 132 Q N 1.178 120.850 119.800 -0.214 0.000 2.378 132 Q HA 0.865 5.174 4.340 -0.263 -0.126 0.276 132 Q C -0.900 175.083 176.000 -0.029 0.000 1.083 132 Q CA -1.910 53.805 55.803 -0.147 0.000 0.856 132 Q CB 3.437 32.208 28.738 0.054 0.000 1.383 132 Q HN 0.113 8.341 8.270 -0.069 0.000 0.458 133 T N -3.346 111.184 114.554 -0.041 0.000 2.936 133 T HA 0.138 4.606 4.350 0.197 0.000 0.282 133 T C 0.059 174.781 174.700 0.038 0.000 1.003 133 T CA -1.341 60.739 62.100 -0.033 0.000 1.005 133 T CB 1.504 70.103 68.868 -0.448 0.000 1.097 133 T HN 0.220 8.403 8.240 -0.095 0.000 0.532 134 H N -1.698 117.553 119.070 0.303 0.000 2.964 134 H HA 0.050 4.694 4.556 0.147 0.000 0.328 134 H C -0.267 175.205 175.328 0.240 0.000 1.030 134 H CA -0.441 55.740 56.048 0.223 0.000 1.445 134 H CB -0.116 29.758 29.762 0.185 0.000 1.449 134 H HN 0.200 8.093 8.280 -0.646 0.000 0.581 135 T N 4.516 119.159 114.554 0.147 0.000 2.761 135 T HA -0.012 4.418 4.350 0.134 0.000 0.296 135 T C -0.220 174.288 174.700 -0.320 0.000 0.934 135 T CA 1.274 63.337 62.100 -0.061 0.000 1.091 135 T CB 0.463 69.172 68.868 -0.265 0.000 0.896 135 T HN 0.119 8.430 8.240 0.118 0.000 0.515 136 V N 8.311 128.069 119.914 -0.260 0.000 2.398 136 V HA 0.218 4.188 4.120 -0.250 0.000 0.286 136 V C -1.546 174.327 176.094 -0.369 0.000 1.026 136 V CA -1.168 60.962 62.300 -0.285 0.000 0.868 136 V CB 0.569 32.305 31.823 -0.144 0.000 0.982 136 V HN 0.227 8.375 8.190 -0.070 0.000 0.443 137 Y N 5.065 125.394 120.300 0.048 0.000 2.419 137 Y HA 0.227 5.002 4.550 0.048 -0.196 0.328 137 Y C 0.707 176.617 175.900 0.016 0.000 1.162 137 Y CA -1.672 56.451 58.100 0.037 0.000 1.174 137 Y CB 1.563 40.043 38.460 0.033 0.000 1.228 137 Y HN -0.030 8.253 8.280 0.004 0.000 0.473 138 K N -1.601 118.897 120.400 0.163 0.000 3.162 138 K HA -0.465 3.899 4.320 0.074 0.000 0.268 138 K C -1.342 175.281 176.600 0.040 0.000 1.062 138 K CA 0.644 56.983 56.287 0.087 0.000 0.769 138 K CB -2.590 29.960 32.500 0.084 0.000 1.274 138 K HN 0.682 9.226 8.250 0.184 -0.184 0.478 139 N N -2.011 116.698 118.700 0.015 0.000 2.554 139 N HA 0.087 4.814 4.740 -0.021 0.000 0.271 139 N C -1.697 173.785 175.510 -0.046 0.000 1.081 139 N CA 0.388 53.420 53.050 -0.029 0.000 0.994 139 N CB 1.725 40.173 38.487 -0.066 0.000 1.641 139 N HN -0.582 7.815 8.380 0.028 0.000 0.511 140 L N 1.216 122.413 121.223 -0.042 0.000 2.446 140 L HA -0.049 4.276 4.340 -0.025 0.000 0.219 140 L C -0.931 175.893 176.870 -0.076 0.000 1.116 140 L CA 0.618 55.435 54.840 -0.038 0.000 0.844 140 L CB 0.323 42.374 42.059 -0.014 0.000 0.970 140 L HN 0.304 8.513 8.230 -0.035 0.000 0.457 141 N N -2.241 116.389 118.700 -0.116 0.000 2.762 141 N HA 0.487 5.214 4.740 -0.179 -0.095 0.252 141 N C -2.801 172.535 175.510 -0.290 0.000 1.269 141 N CA -1.804 51.145 53.050 -0.170 0.000 0.799 141 N CB 1.359 39.788 38.487 -0.097 0.000 1.173 141 N HN -0.649 7.916 8.380 -0.102 -0.246 0.516 142 P HA -0.033 4.123 4.420 -0.441 0.000 0.271 142 P C -0.903 175.913 177.300 -0.806 0.000 1.233 142 P CA -0.242 62.424 63.100 -0.724 0.000 0.764 142 P CB 0.430 31.473 31.700 -1.094 0.000 0.825 143 E N 5.151 125.113 120.200 -0.397 0.000 1.979 143 E HA -0.054 4.199 4.350 -0.163 0.000 0.285 143 E C -0.525 176.069 176.600 -0.010 0.000 1.188 143 E CA -1.399 54.893 56.400 -0.179 0.000 1.214 143 E CB -1.164 28.489 29.700 -0.079 0.000 1.210 143 E HN 0.316 8.501 8.360 -0.292 0.000 0.477 144 W N 1.746 123.118 121.300 0.120 0.000 2.304 144 W HA -0.285 4.579 4.660 0.340 0.000 0.328 144 W C 0.490 177.130 176.519 0.203 0.000 1.242 144 W CA 2.090 59.524 57.345 0.149 0.000 1.243 144 W CB -0.355 29.082 29.460 -0.038 0.000 1.170 144 W HN -0.458 7.488 8.180 -0.308 0.050 0.460 145 N N -4.145 114.778 118.700 0.371 0.000 2.727 145 N HA -0.374 4.589 4.740 0.180 -0.115 0.251 145 N C -1.194 174.423 175.510 0.177 0.000 1.040 145 N CA 1.321 54.500 53.050 0.214 0.000 0.712 145 N CB -1.630 36.942 38.487 0.141 0.000 0.912 145 N HN -0.310 8.329 8.380 0.432 0.000 0.545 146 K N -2.388 118.107 120.400 0.158 0.000 2.303 146 K HA 0.283 4.600 4.320 -0.005 0.000 0.233 146 K C -2.132 174.375 176.600 -0.156 0.000 1.046 146 K CA -1.751 54.529 56.287 -0.011 0.000 0.895 146 K CB 3.769 36.245 32.500 -0.040 0.000 1.220 146 K HN -0.244 8.131 8.250 0.208 0.000 0.470 147 V N -1.226 118.418 119.914 -0.451 0.000 2.876 147 V HA 0.514 4.698 4.120 -0.153 -0.156 0.312 147 V C -1.021 174.602 176.094 -0.785 0.000 1.085 147 V CA -1.366 60.704 62.300 -0.383 0.000 0.945 147 V CB 3.041 34.741 31.823 -0.205 0.000 1.017 147 V HN 0.001 7.841 8.190 -0.584 0.000 0.428 148 F N 3.837 123.761 119.950 -0.042 0.000 2.588 148 F HA 0.267 4.633 4.527 -0.268 0.000 0.318 148 F C -1.650 173.933 175.800 -0.362 0.000 1.155 148 F CA -0.689 57.191 58.000 -0.200 0.000 0.967 148 F CB 4.185 43.198 39.000 0.021 0.000 1.236 148 F HN 1.113 9.337 8.300 0.046 0.103 0.455 149 T N 4.104 118.379 114.554 -0.464 0.000 2.797 149 T HA 0.577 5.005 4.350 -0.152 -0.169 0.279 149 T C -0.784 173.498 174.700 -0.698 0.000 0.991 149 T CA -0.727 61.143 62.100 -0.383 0.000 0.979 149 T CB 1.040 69.792 68.868 -0.193 0.000 0.943 149 T HN 0.186 8.149 8.240 -0.461 0.000 0.444 150 F N 3.464 123.437 119.950 0.039 0.000 2.565 150 F HA 0.431 4.972 4.527 0.024 0.000 0.313 150 F C -2.444 173.353 175.800 -0.005 0.000 1.091 150 F CA -2.967 55.044 58.000 0.017 0.000 0.915 150 F CB 2.906 41.910 39.000 0.007 0.000 1.208 150 F HN 0.252 8.623 8.300 0.117 0.000 0.453 151 P HA 0.084 4.531 4.420 0.044 0.000 0.271 151 P C -1.190 176.145 177.300 0.059 0.000 1.216 151 P CA -0.289 62.856 63.100 0.076 0.000 0.771 151 P CB 0.448 32.183 31.700 0.058 0.000 0.864 152 I N 4.227 124.805 120.570 0.013 0.000 2.282 152 I HA -0.005 4.163 4.170 -0.004 0.000 0.290 152 I C -0.474 175.634 176.117 -0.015 0.000 1.090 152 I CA -0.398 60.893 61.300 -0.015 0.000 1.231 152 I CB -1.214 36.746 38.000 -0.067 0.000 1.434 152 I HN 0.117 8.327 8.210 0.000 0.000 0.487 153 K N 5.124 125.521 120.400 -0.005 0.000 2.076 153 K HA -0.104 4.215 4.320 -0.001 0.000 0.204 153 K C -0.695 175.898 176.600 -0.012 0.000 1.051 153 K CA 1.707 57.991 56.287 -0.004 0.000 0.949 153 K CB 0.707 33.209 32.500 0.002 0.000 0.726 153 K HN 0.095 8.345 8.250 0.000 0.000 0.443 154 D N -4.287 116.103 120.400 -0.016 0.000 2.788 154 D HA 0.006 4.623 4.640 -0.038 0.000 0.247 154 D C -0.552 175.726 176.300 -0.037 0.000 1.236 154 D CA -1.186 52.800 54.000 -0.023 0.000 0.898 154 D CB 2.137 42.942 40.800 0.009 0.000 1.401 154 D HN -0.557 7.805 8.370 -0.014 0.000 0.549 155 I N 1.764 122.280 120.570 -0.090 0.000 2.850 155 I HA -0.417 3.711 4.170 -0.070 0.000 0.266 155 I C -1.003 175.093 176.117 -0.035 0.000 1.257 155 I CA 0.468 61.712 61.300 -0.094 0.000 1.465 155 I CB 0.203 38.131 38.000 -0.120 0.000 1.091 155 I HN 0.582 8.725 8.210 -0.111 0.000 0.467 156 H N -2.663 116.403 119.070 -0.006 0.000 2.537 156 H HA 0.085 4.636 4.556 -0.008 0.000 0.295 156 H C -0.745 174.569 175.328 -0.024 0.000 1.054 156 H CA -0.824 55.218 56.048 -0.011 0.000 1.156 156 H CB -0.254 29.504 29.762 -0.007 0.000 1.468 156 H HN -0.340 7.850 8.280 -0.014 0.082 0.551 157 D N -0.212 120.231 120.400 0.073 0.000 2.348 157 D HA 0.074 4.725 4.640 0.017 -0.001 0.249 157 D C -2.110 174.184 176.300 -0.010 0.000 1.110 157 D CA 0.153 54.162 54.000 0.015 0.000 0.967 157 D CB 2.605 43.398 40.800 -0.012 0.000 1.139 157 D HN -0.571 7.666 8.370 0.049 0.163 0.466 158 V N 0.646 120.536 119.914 -0.040 0.000 2.567 158 V HA 0.165 4.248 4.120 -0.061 0.000 0.298 158 V C -1.019 175.020 176.094 -0.093 0.000 1.047 158 V CA -1.243 61.019 62.300 -0.063 0.000 0.880 158 V CB 1.755 33.541 31.823 -0.061 0.000 1.009 158 V HN 0.179 8.342 8.190 -0.044 0.000 0.429 159 L N 8.455 129.612 121.223 -0.110 0.000 2.380 159 L HA 0.174 4.414 4.340 -0.166 0.000 0.273 159 L C -1.554 175.227 176.870 -0.148 0.000 1.138 159 L CA -0.166 54.587 54.840 -0.144 0.000 0.832 159 L CB 1.729 43.705 42.059 -0.139 0.000 1.124 159 L HN 0.111 8.282 8.230 -0.100 0.000 0.454 160 E N 5.954 126.059 120.200 -0.158 0.000 2.218 160 E HA 0.686 5.173 4.350 -0.144 -0.223 0.263 160 E C -1.201 175.295 176.600 -0.173 0.000 0.879 160 E CA -1.613 54.700 56.400 -0.145 0.000 0.762 160 E CB 2.851 32.486 29.700 -0.107 0.000 1.166 160 E HN -0.262 7.991 8.360 -0.178 0.000 0.415 161 V N 7.005 126.806 119.914 -0.189 0.000 2.318 161 V HA 0.204 4.313 4.120 -0.256 -0.142 0.271 161 V C -0.802 175.093 176.094 -0.331 0.000 1.030 161 V CA -0.833 61.319 62.300 -0.247 0.000 0.844 161 V CB 0.299 31.988 31.823 -0.224 0.000 1.015 161 V HN -0.132 7.956 8.190 -0.171 0.000 0.460 162 T N 9.715 124.019 114.554 -0.415 0.000 2.743 162 T HA 0.164 4.136 4.350 -0.630 0.000 0.292 162 T C -1.150 172.800 174.700 -1.251 0.000 0.972 162 T CA -0.372 61.295 62.100 -0.722 0.000 0.967 162 T CB 0.920 69.468 68.868 -0.534 0.000 0.926 162 T HN -0.292 7.751 8.240 -0.328 0.000 0.459 163 V N 7.626 126.858 119.914 -1.136 0.000 2.364 163 V HA 0.228 3.887 4.120 -1.082 -0.189 0.272 163 V C -1.249 174.129 176.094 -1.192 0.000 1.036 163 V CA -0.990 60.672 62.300 -1.064 0.000 0.880 163 V CB -0.278 31.182 31.823 -0.605 0.000 0.991 163 V HN 0.141 7.777 8.190 -0.925 0.000 0.460 164 F N 6.212 125.659 119.950 -0.837 0.000 2.535 164 F HA 0.720 5.131 4.527 -0.423 -0.138 0.367 164 F C -0.720 174.796 175.800 -0.473 0.000 1.096 164 F CA -2.343 55.287 58.000 -0.617 0.000 1.088 164 F CB 3.357 42.081 39.000 -0.461 0.000 1.387 164 F HN -0.241 7.170 8.300 -1.482 0.000 0.494 165 D N -2.337 118.149 120.400 0.143 0.000 2.473 165 D HA 0.140 4.950 4.640 0.283 0.000 0.253 165 D C -0.879 175.639 176.300 0.364 0.000 1.233 165 D CA -1.166 52.980 54.000 0.242 0.000 0.908 165 D CB 0.914 41.785 40.800 0.119 0.000 1.170 165 D HN -0.094 8.497 8.370 0.225 -0.086 0.558 166 E N 3.673 124.177 120.200 0.507 0.000 2.366 166 E HA -0.178 4.336 4.350 0.273 0.000 0.266 166 E C -1.259 175.453 176.600 0.187 0.000 1.015 166 E CA 0.809 57.383 56.400 0.290 0.000 0.906 166 E CB 0.497 30.271 29.700 0.123 0.000 0.979 166 E HN -0.229 8.534 8.360 0.671 0.000 0.443 167 D N 8.325 128.803 120.400 0.130 0.000 2.412 167 D HA 0.290 4.990 4.640 0.100 0.000 0.276 167 D C -0.284 176.055 176.300 0.064 0.000 1.196 167 D CA -0.394 53.661 54.000 0.091 0.000 0.905 167 D CB 1.133 41.975 40.800 0.070 0.000 1.081 167 D HN -0.375 8.067 8.370 0.120 0.000 0.502 168 G N 2.542 111.380 108.800 0.063 0.000 2.596 168 G HA2 -0.532 3.447 3.960 0.032 0.000 0.334 168 G HA3 -0.532 3.443 3.960 0.026 0.000 0.334 168 G C -0.256 174.660 174.900 0.027 0.000 1.351 168 G CA 0.935 46.056 45.100 0.036 0.000 0.965 168 G HN 0.019 8.360 8.290 0.086 0.000 0.533 169 D N 2.956 123.366 120.400 0.017 0.000 2.149 169 D HA -0.239 4.406 4.640 0.008 0.000 0.194 169 D C 0.396 176.706 176.300 0.016 0.000 1.001 169 D CA 1.756 55.764 54.000 0.012 0.000 0.849 169 D CB 0.161 40.967 40.800 0.009 0.000 0.939 169 D HN 0.158 8.536 8.370 0.014 0.000 0.449 170 K N -0.620 119.794 120.400 0.023 0.000 2.436 170 K HA 0.066 4.398 4.320 0.020 0.000 0.275 170 K C -1.865 174.755 176.600 0.032 0.000 0.999 170 K CA -1.179 55.124 56.287 0.027 0.000 0.980 170 K CB -0.619 31.901 32.500 0.032 0.000 0.919 170 K HN -0.522 7.735 8.250 0.024 0.008 0.484 171 P HA 0.198 4.628 4.420 0.016 0.000 0.272 171 P C -2.330 175.002 177.300 0.053 0.000 1.240 171 P CA -1.478 61.636 63.100 0.022 0.000 0.791 171 P CB -0.912 30.786 31.700 -0.003 0.000 0.978 172 P HA 0.044 4.847 4.420 0.213 -0.256 0.272 172 P C -1.625 175.733 177.300 0.097 0.000 1.223 172 P CA -0.533 62.656 63.100 0.148 0.000 0.784 172 P CB 1.381 33.225 31.700 0.240 0.000 0.923 173 D N -0.082 120.420 120.400 0.169 0.000 2.299 173 D HA 0.127 4.861 4.640 0.157 0.000 0.243 173 D C -1.531 174.949 176.300 0.300 0.000 0.982 173 D CA -1.716 52.394 54.000 0.182 0.000 0.924 173 D CB 3.298 44.179 40.800 0.136 0.000 1.238 173 D HN -0.312 8.340 8.370 0.197 -0.164 0.484 174 F N 1.803 121.842 119.950 0.149 0.000 2.445 174 F HA -0.081 4.624 4.527 0.295 0.000 0.359 174 F C -1.131 174.590 175.800 -0.131 0.000 1.101 174 F CA 0.682 58.746 58.000 0.106 0.000 1.177 174 F CB 0.610 39.647 39.000 0.061 0.000 1.110 174 F HN 0.036 8.553 8.300 0.361 0.000 0.522 175 L N 8.716 129.374 121.223 -0.941 0.000 2.892 175 L HA 0.282 4.138 4.340 -0.807 0.000 0.251 175 L C -0.845 175.230 176.870 -1.326 0.000 1.339 175 L CA -0.922 53.365 54.840 -0.922 0.000 0.900 175 L CB 0.482 42.253 42.059 -0.479 0.000 1.246 175 L HN -0.083 7.542 8.230 -1.009 0.000 0.524 176 G N -0.385 107.183 108.800 -2.053 0.000 2.795 176 G HA2 -0.258 3.218 3.960 -0.807 0.000 0.664 176 G HA3 -0.258 3.169 3.960 -0.888 0.000 0.664 176 G C -2.444 171.854 174.900 -1.004 0.000 1.381 176 G CA -0.307 44.030 45.100 -1.273 0.000 0.853 176 G HN -0.340 6.242 8.290 -2.847 0.000 0.545 177 K N -3.295 116.897 120.400 -0.348 0.000 2.507 177 K HA 0.500 4.608 4.320 -0.354 0.000 0.284 177 K C -2.477 174.044 176.600 -0.131 0.000 1.038 177 K CA -1.552 54.610 56.287 -0.209 0.000 0.903 177 K CB 4.257 36.783 32.500 0.043 0.000 1.531 177 K HN 0.036 8.052 8.250 -0.189 0.121 0.430 178 V N -5.100 114.741 119.914 -0.122 0.000 2.697 178 V HA 0.364 4.438 4.120 -0.078 0.000 0.300 178 V C -2.181 173.837 176.094 -0.127 0.000 1.115 178 V CA -1.505 60.732 62.300 -0.105 0.000 0.912 178 V CB 3.006 34.776 31.823 -0.088 0.000 1.024 178 V HN -0.208 7.900 8.190 -0.137 0.000 0.431 179 A N 6.624 129.371 122.820 -0.121 0.000 2.287 179 A HA 0.521 4.761 4.320 -0.134 0.000 0.317 179 A C -0.929 176.549 177.584 -0.176 0.000 1.220 179 A CA -1.511 50.448 52.037 -0.129 0.000 0.835 179 A CB 1.404 20.353 19.000 -0.086 0.000 1.180 179 A HN 0.048 8.139 8.150 -0.099 0.000 0.500 180 I N 3.181 123.629 120.570 -0.204 0.000 2.548 180 I HA 0.299 4.345 4.170 -0.205 0.000 0.287 180 I C -2.446 173.580 176.117 -0.153 0.000 1.103 180 I CA -3.005 58.154 61.300 -0.236 0.000 1.049 180 I CB 3.636 41.374 38.000 -0.438 0.000 1.232 180 I HN -0.094 8.008 8.210 -0.181 0.000 0.429 181 P HA 0.173 4.562 4.420 -0.051 0.000 0.271 181 P C 0.802 178.076 177.300 -0.043 0.000 1.220 181 P CA -0.777 62.289 63.100 -0.057 0.000 0.768 181 P CB 0.705 32.386 31.700 -0.032 0.000 0.848 182 L N 2.438 123.644 121.223 -0.029 0.000 2.021 182 L HA -0.463 3.859 4.340 -0.030 0.000 0.215 182 L C 2.364 179.237 176.870 0.004 0.000 1.074 182 L CA 3.208 58.035 54.840 -0.021 0.000 0.760 182 L CB -0.594 41.449 42.059 -0.027 0.000 0.889 182 L HN -0.514 7.700 8.230 -0.026 0.000 0.433 183 L N -3.609 117.630 121.223 0.027 0.000 2.010 183 L HA -0.467 3.916 4.340 0.071 0.000 0.219 183 L C 1.772 178.667 176.870 0.042 0.000 1.077 183 L CA 2.857 57.729 54.840 0.052 0.000 0.773 183 L CB -1.032 41.067 42.059 0.066 0.000 0.892 183 L HN 0.050 8.296 8.230 0.032 0.003 0.436 184 S N -3.171 112.540 115.700 0.019 0.000 2.380 184 S HA -0.286 4.199 4.470 0.026 0.000 0.229 184 S C 0.639 175.260 174.600 0.035 0.000 1.043 184 S CA 1.822 60.032 58.200 0.017 0.000 1.038 184 S CB 0.084 63.275 63.200 -0.016 0.000 0.872 184 S HN -0.640 7.674 8.310 0.007 0.000 0.456 185 I N 2.277 122.865 120.570 0.031 0.000 3.076 185 I HA -0.293 3.916 4.170 0.066 0.000 0.287 185 I C 0.154 176.310 176.117 0.065 0.000 1.204 185 I CA 0.891 62.221 61.300 0.051 0.000 1.370 185 I CB -2.050 35.973 38.000 0.038 0.000 1.444 185 I HN -0.250 7.856 8.210 0.012 0.111 0.549 186 R N 5.692 126.234 120.500 0.070 0.000 2.056 186 R HA 0.034 4.417 4.340 0.072 0.000 0.215 186 R C -0.335 176.005 176.300 0.068 0.000 1.205 186 R CA 0.419 56.560 56.100 0.068 0.000 1.020 186 R CB 1.137 31.473 30.300 0.060 0.000 0.911 186 R HN 0.004 8.320 8.270 0.076 0.000 0.451 187 D N -3.651 116.789 120.400 0.066 0.000 2.531 187 D HA 0.143 4.818 4.640 0.059 0.000 0.244 187 D C 0.379 176.718 176.300 0.064 0.000 1.090 187 D CA -0.738 53.298 54.000 0.060 0.000 0.989 187 D CB 2.531 43.361 40.800 0.050 0.000 1.433 187 D HN -0.528 7.885 8.370 0.071 0.000 0.492 188 G N -0.904 107.929 108.800 0.056 0.000 3.353 188 G HA2 -0.053 4.192 3.960 0.067 0.000 0.247 188 G HA3 -0.053 3.937 3.960 0.048 0.000 0.247 188 G C -0.930 174.001 174.900 0.051 0.000 1.025 188 G CA 0.102 45.236 45.100 0.056 0.000 1.863 188 G HN 0.284 8.603 8.290 0.049 0.000 0.635 189 Q N 0.611 120.445 119.800 0.056 0.000 2.230 189 Q HA 0.265 4.625 4.340 0.034 0.000 0.253 189 Q C -1.847 174.178 176.000 0.042 0.000 0.919 189 Q CA -3.805 52.024 55.803 0.044 0.000 0.908 189 Q CB 0.251 29.015 28.738 0.043 0.000 1.245 189 Q HN -0.370 7.837 8.270 0.067 0.102 0.437 190 P HA -0.004 4.424 4.420 0.013 0.000 0.264 190 P C -1.537 175.752 177.300 -0.020 0.000 1.537 190 P CA -0.277 62.830 63.100 0.011 0.000 1.189 190 P CB -0.909 30.797 31.700 0.010 0.000 1.687 191 N N 2.931 121.559 118.700 -0.120 0.000 2.426 191 N HA 0.166 4.840 4.740 -0.109 0.000 0.257 191 N C -0.727 174.319 175.510 -0.773 0.000 1.002 191 N CA -0.946 51.950 53.050 -0.256 0.000 0.942 191 N CB 2.365 40.831 38.487 -0.035 0.000 1.112 191 N HN -0.331 7.992 8.380 -0.095 0.000 0.499 192 C N 5.089 124.124 119.300 -0.441 0.000 2.632 192 C HA 0.184 4.343 4.460 -0.721 -0.132 0.415 192 C C -0.572 174.101 174.990 -0.528 0.000 1.332 192 C CA -0.669 57.995 59.018 -0.590 0.000 1.874 192 C CB 0.507 27.973 27.740 -0.458 0.000 2.596 192 C HN 0.425 8.543 8.230 -0.188 0.000 0.590 193 Y N 4.626 124.815 120.300 -0.185 0.000 2.555 193 Y HA 0.123 4.616 4.550 -0.095 0.000 0.326 193 Y C -0.516 175.296 175.900 -0.148 0.000 0.984 193 Y CA -2.476 55.547 58.100 -0.127 0.000 1.298 193 Y CB -0.187 38.217 38.460 -0.094 0.000 1.094 193 Y HN 0.518 8.495 8.280 -0.506 0.000 0.500 194 V N 3.849 123.768 119.914 0.008 0.000 2.720 194 V HA -0.288 3.788 4.120 -0.074 0.000 0.307 194 V C -0.245 175.841 176.094 -0.013 0.000 1.071 194 V CA 1.327 63.611 62.300 -0.026 0.000 1.199 194 V CB 0.197 32.017 31.823 -0.004 0.000 0.900 194 V HN 0.458 8.665 8.190 0.028 0.000 0.494 195 L N 7.379 128.579 121.223 -0.038 0.000 2.433 195 L HA -0.005 4.437 4.340 -0.097 -0.161 0.284 195 L C -0.835 176.027 176.870 -0.015 0.000 1.120 195 L CA -0.101 54.693 54.840 -0.076 0.000 0.879 195 L CB -1.038 40.931 42.059 -0.149 0.000 1.232 195 L HN -0.163 8.042 8.230 -0.043 0.000 0.454 196 K N 3.696 124.096 120.400 0.000 0.000 2.156 196 K HA 0.264 4.659 4.320 0.124 0.000 0.271 196 K C -0.657 176.007 176.600 0.108 0.000 0.995 196 K CA -1.229 55.100 56.287 0.071 0.000 0.890 196 K CB 1.741 34.271 32.500 0.051 0.000 1.073 196 K HN 0.251 8.486 8.250 -0.025 0.000 0.454 197 N N 4.847 123.676 118.700 0.215 0.000 2.405 197 N HA 0.001 5.042 4.740 0.501 0.000 0.269 197 N C -0.033 175.574 175.510 0.161 0.000 1.249 197 N CA -1.157 52.085 53.050 0.320 0.000 0.974 197 N CB 0.809 39.584 38.487 0.479 0.000 1.204 197 N HN 0.044 8.580 8.380 0.259 0.000 0.565 198 K N -3.963 116.457 120.400 0.034 0.000 2.184 198 K HA -0.356 3.931 4.320 -0.055 0.000 0.210 198 K C 0.108 176.711 176.600 0.005 0.000 1.048 198 K CA 2.752 59.010 56.287 -0.048 0.000 0.931 198 K CB -0.532 31.886 32.500 -0.138 0.000 0.718 198 K HN 0.274 8.486 8.250 -0.064 0.000 0.465 199 D N 0.138 120.566 120.400 0.046 0.000 3.057 199 D HA 0.153 4.805 4.640 0.020 0.000 0.246 199 D C 0.145 176.477 176.300 0.053 0.000 1.238 199 D CA -0.419 53.607 54.000 0.043 0.000 0.949 199 D CB -2.394 38.437 40.800 0.051 0.000 1.086 199 D HN 0.096 8.484 8.370 0.081 0.031 0.487 200 L N -1.541 119.706 121.223 0.040 0.000 2.230 200 L HA -0.500 3.871 4.340 0.051 0.000 0.217 200 L C 1.010 177.899 176.870 0.031 0.000 1.090 200 L CA 2.434 57.295 54.840 0.036 0.000 0.771 200 L CB -0.537 41.530 42.059 0.013 0.000 0.892 200 L HN -0.662 7.512 8.230 0.028 0.073 0.438 201 E N -3.242 116.972 120.200 0.024 0.000 2.169 201 E HA -0.398 3.959 4.350 0.012 0.000 0.202 201 E C 0.818 177.432 176.600 0.023 0.000 1.016 201 E CA 1.732 58.143 56.400 0.018 0.000 0.817 201 E CB -0.349 29.359 29.700 0.014 0.000 0.736 201 E HN 0.158 8.485 8.360 0.021 0.046 0.462 202 Q N -1.048 118.773 119.800 0.036 0.000 2.873 202 Q HA 0.242 4.598 4.340 0.027 0.000 0.297 202 Q C -1.937 174.100 176.000 0.061 0.000 1.064 202 Q CA -0.839 54.986 55.803 0.037 0.000 0.816 202 Q CB 3.446 32.201 28.738 0.027 0.000 1.481 202 Q HN -0.124 8.055 8.270 0.045 0.117 0.488 203 A N -2.358 120.496 122.820 0.057 0.000 2.247 203 A HA 0.040 4.422 4.320 0.104 0.000 0.313 203 A C -1.665 176.001 177.584 0.136 0.000 1.109 203 A CA -0.457 51.633 52.037 0.088 0.000 0.890 203 A CB 0.925 19.958 19.000 0.055 0.000 1.239 203 A HN 0.022 8.193 8.150 0.035 0.000 0.506 204 F N 0.035 119.988 119.950 0.005 0.000 2.282 204 F HA 0.217 4.758 4.527 0.023 0.000 0.255 204 F C -0.765 175.033 175.800 -0.004 0.000 0.959 204 F CA 0.356 58.361 58.000 0.009 0.000 1.170 204 F CB 2.289 41.292 39.000 0.006 0.000 1.376 204 F HN 0.336 8.768 8.300 0.220 0.000 0.709 205 K N -0.517 120.062 120.400 0.299 0.000 2.592 205 K HA 0.099 4.458 4.320 0.066 0.000 0.259 205 K C -0.970 175.699 176.600 0.114 0.000 0.937 205 K CA 0.459 56.840 56.287 0.157 0.000 0.874 205 K CB 2.042 34.648 32.500 0.177 0.000 1.339 205 K HN -0.212 8.252 8.250 0.357 0.000 0.425 206 G N 4.357 113.190 108.800 0.055 0.000 2.907 206 G HA2 -0.308 3.769 3.960 0.019 0.000 0.242 206 G HA3 -0.308 3.902 3.960 0.030 -0.233 0.242 206 G C -1.826 173.069 174.900 -0.009 0.000 1.448 206 G CA 0.262 45.377 45.100 0.025 0.000 0.911 206 G HN 0.022 8.357 8.290 0.044 -0.019 0.553 207 V N -4.369 115.512 119.914 -0.055 0.000 3.119 207 V HA 0.528 4.585 4.120 -0.104 0.000 0.311 207 V C -2.379 173.596 176.094 -0.199 0.000 1.259 207 V CA -3.180 59.034 62.300 -0.144 0.000 1.067 207 V CB 3.253 34.937 31.823 -0.231 0.000 1.123 207 V HN -0.394 7.775 8.190 -0.035 0.000 0.463 208 I N -2.415 117.967 120.570 -0.314 0.000 2.969 208 I HA 0.249 4.347 4.170 -0.120 0.000 0.307 208 I C -2.517 173.304 176.117 -0.494 0.000 1.149 208 I CA -1.540 59.611 61.300 -0.248 0.000 1.008 208 I CB 4.212 42.168 38.000 -0.072 0.000 1.232 208 I HN -0.669 7.347 8.210 -0.323 0.000 0.435 209 Y N 2.614 122.901 120.300 -0.022 0.000 2.447 209 Y HA 0.192 4.605 4.550 -0.227 0.000 0.325 209 Y C -1.645 174.232 175.900 -0.039 0.000 0.976 209 Y CA -1.482 56.562 58.100 -0.094 0.000 1.280 209 Y CB 0.876 39.303 38.460 -0.055 0.000 1.104 209 Y HN -0.296 8.096 8.280 0.187 0.000 0.486 210 L N 2.607 123.838 121.223 0.014 0.000 2.341 210 L HA 0.411 4.836 4.340 0.143 0.000 0.278 210 L C -1.598 175.359 176.870 0.146 0.000 1.005 210 L CA -1.249 53.673 54.840 0.136 0.000 0.818 210 L CB 2.521 44.727 42.059 0.245 0.000 1.259 210 L HN 0.071 8.157 8.230 -0.241 0.000 0.418 211 E N 3.722 124.006 120.200 0.141 0.000 2.092 211 E HA 0.313 4.742 4.350 0.130 0.000 0.271 211 E C -1.627 175.057 176.600 0.140 0.000 0.919 211 E CA -1.224 55.253 56.400 0.127 0.000 0.760 211 E CB 2.191 31.944 29.700 0.087 0.000 1.106 211 E HN -0.013 8.429 8.360 0.137 0.000 0.408 212 M N 4.451 124.145 119.600 0.156 0.000 2.705 212 M HA 0.498 5.199 4.480 0.120 -0.149 0.311 212 M C -1.405 174.952 176.300 0.094 0.000 1.214 212 M CA -0.469 54.905 55.300 0.124 0.000 0.920 212 M CB 4.245 36.914 32.600 0.116 0.000 1.687 212 M HN 0.299 8.701 8.290 0.188 0.000 0.481 213 D N -1.033 119.410 120.400 0.072 0.000 2.990 213 D HA 0.343 5.019 4.640 0.059 0.000 0.227 213 D C -2.204 174.113 176.300 0.029 0.000 1.249 213 D CA -0.061 53.971 54.000 0.054 0.000 0.891 213 D CB 3.767 44.596 40.800 0.048 0.000 1.647 213 D HN 0.020 8.435 8.370 0.075 0.000 0.530 214 L N 3.299 124.534 121.223 0.020 0.000 2.275 214 L HA 0.226 4.526 4.340 -0.067 0.000 0.288 214 L C -1.186 175.657 176.870 -0.045 0.000 1.046 214 L CA -0.042 54.775 54.840 -0.038 0.000 0.805 214 L CB 1.244 43.286 42.059 -0.028 0.000 1.193 214 L HN 0.246 8.500 8.230 0.041 0.000 0.426 215 I N 6.787 127.282 120.570 -0.125 0.000 2.693 215 I HA 0.275 4.466 4.170 0.035 0.000 0.303 215 I C -1.771 174.212 176.117 -0.224 0.000 1.025 215 I CA -1.332 59.925 61.300 -0.072 0.000 1.086 215 I CB 3.621 41.606 38.000 -0.025 0.000 1.268 215 I HN 0.082 8.197 8.210 -0.159 0.000 0.440 216 Y N 2.318 122.625 120.300 0.012 0.000 2.361 216 Y HA 0.194 4.886 4.550 0.006 -0.139 0.337 216 Y C -0.343 175.561 175.900 0.006 0.000 0.965 216 Y CA -1.163 56.941 58.100 0.007 0.000 1.091 216 Y CB 1.890 40.353 38.460 0.004 0.000 1.182 216 Y HN -0.023 8.368 8.280 0.185 0.000 0.450 217 N N 0.000 118.779 118.700 0.132 0.000 1.763 217 N HA 0.000 4.775 4.740 0.058 0.000 0.220 217 N CA 0.000 53.099 53.050 0.082 0.000 0.885 217 N CB 0.000 38.520 38.487 0.055 0.000 1.341 217 N HN 0.000 8.443 8.380 0.105 0.000 0.667