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 1buq_1_B DATA FIRST_RESID 201 DATA SEQUENCE MNTPEHMTAV VQRYVAALNA GDLDGIVALF ADDATVEDPV GSEPRSGTAA DATA SEQUENCE IREFFANSLK LPLAVELTQE VRAVANEAAF AFTVSFEFQG RKTVVAPIDH DATA SEQUENCE FRFNGAGKVV SMRALFGEKN IHAGA 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 201 M HA 0.000 4.489 4.480 0.015 0.000 0.227 201 M C 0.000 176.313 176.300 0.022 0.000 1.140 201 M CA 0.000 55.310 55.300 0.017 0.000 0.988 201 M CB 0.000 32.609 32.600 0.015 0.000 1.302 202 N N 0.819 119.534 118.700 0.025 0.000 2.372 202 N HA -0.137 4.626 4.740 0.037 0.000 0.282 202 N C -1.452 174.083 175.510 0.041 0.000 1.425 202 N CA 0.136 53.207 53.050 0.036 0.000 0.663 202 N CB 0.431 38.940 38.487 0.038 0.000 0.903 202 N HN 0.154 8.547 8.380 0.022 0.000 0.495 203 T N 3.164 117.744 114.554 0.043 0.000 2.656 203 T HA -0.043 4.318 4.350 0.019 0.000 0.263 203 T C -0.231 174.498 174.700 0.048 0.000 1.017 203 T CA -0.645 61.476 62.100 0.034 0.000 1.216 203 T CB 0.899 69.784 68.868 0.027 0.000 0.989 203 T HN 0.277 8.543 8.240 0.044 0.000 0.507 204 P HA 0.106 4.564 4.420 0.062 0.000 0.242 204 P C 0.848 178.164 177.300 0.027 0.000 1.197 204 P CA 0.794 63.919 63.100 0.042 0.000 0.765 204 P CB 0.193 31.911 31.700 0.030 0.000 0.936 205 E N -0.691 119.506 120.200 -0.006 0.000 2.106 205 E HA -0.359 3.962 4.350 -0.047 0.000 0.192 205 E C 2.026 178.581 176.600 -0.076 0.000 0.984 205 E CA 3.409 59.773 56.400 -0.060 0.000 0.806 205 E CB -0.229 29.403 29.700 -0.113 0.000 0.750 205 E HN -0.475 7.795 8.360 -0.007 0.086 0.458 206 H N -0.396 118.640 119.070 -0.057 0.000 2.299 206 H HA -0.186 4.296 4.556 -0.124 0.000 0.302 206 H C 2.365 177.609 175.328 -0.141 0.000 1.078 206 H CA 3.184 59.169 56.048 -0.105 0.000 1.323 206 H CB 0.120 29.826 29.762 -0.092 0.000 1.381 206 H HN -0.765 7.543 8.280 0.047 0.000 0.498 207 M N -3.132 116.536 119.600 0.113 0.000 2.202 207 M HA -0.369 4.211 4.480 0.166 0.000 0.262 207 M C 1.892 178.237 176.300 0.074 0.000 1.063 207 M CA 4.075 59.502 55.300 0.211 0.000 1.097 207 M CB -0.367 32.415 32.600 0.305 0.000 1.382 207 M HN -0.212 8.170 8.290 0.152 0.000 0.413 208 T N 1.104 115.663 114.554 0.009 0.000 2.904 208 T HA -0.274 4.058 4.350 -0.031 0.000 0.267 208 T C 1.370 176.006 174.700 -0.108 0.000 1.059 208 T CA 4.186 66.262 62.100 -0.039 0.000 1.137 208 T CB -0.191 68.664 68.868 -0.022 0.000 0.879 208 T HN -0.413 7.721 8.240 0.022 0.119 0.467 209 A N 2.066 124.814 122.820 -0.120 0.000 1.883 209 A HA -0.293 3.958 4.320 -0.116 0.000 0.217 209 A C 1.879 179.337 177.584 -0.210 0.000 1.186 209 A CA 3.342 55.294 52.037 -0.142 0.000 0.624 209 A CB -1.110 17.820 19.000 -0.118 0.000 0.822 209 A HN -0.347 7.630 8.150 -0.093 0.117 0.444 210 V N -1.317 118.387 119.914 -0.350 0.000 2.282 210 V HA -0.478 3.399 4.120 -0.406 0.000 0.249 210 V C 2.113 178.028 176.094 -0.299 0.000 1.057 210 V CA 3.869 65.874 62.300 -0.491 0.000 1.032 210 V CB -0.427 30.760 31.823 -1.061 0.000 0.645 210 V HN -0.686 7.279 8.190 -0.376 0.000 0.447 211 V N -0.910 118.816 119.914 -0.314 0.000 2.407 211 V HA -0.512 3.348 4.120 -0.434 0.000 0.248 211 V C 1.577 177.569 176.094 -0.170 0.000 1.055 211 V CA 4.247 66.325 62.300 -0.371 0.000 1.049 211 V CB -0.546 30.975 31.823 -0.504 0.000 0.662 211 V HN -0.720 7.202 8.190 -0.319 0.076 0.455 212 Q N -0.043 119.687 119.800 -0.117 0.000 1.889 212 Q HA -0.394 3.927 4.340 -0.032 0.000 0.211 212 Q C 2.128 178.107 176.000 -0.035 0.000 0.988 212 Q CA 3.745 59.515 55.803 -0.056 0.000 0.861 212 Q CB -0.257 28.443 28.738 -0.063 0.000 0.922 212 Q HN 0.130 8.216 8.270 -0.142 0.099 0.425 213 R N -0.544 119.917 120.500 -0.065 0.000 2.140 213 R HA -0.450 3.845 4.340 -0.075 0.000 0.250 213 R C 2.270 178.528 176.300 -0.071 0.000 1.150 213 R CA 3.670 59.724 56.100 -0.077 0.000 0.966 213 R CB -0.250 29.985 30.300 -0.108 0.000 0.869 213 R HN -0.388 7.829 8.270 -0.089 0.000 0.445 214 Y N -1.012 119.174 120.300 -0.191 0.000 2.114 214 Y HA -0.348 4.047 4.550 -0.259 0.000 0.282 214 Y C 1.854 177.658 175.900 -0.159 0.000 1.165 214 Y CA 3.425 61.410 58.100 -0.193 0.000 1.148 214 Y CB -0.385 38.029 38.460 -0.077 0.000 0.972 214 Y HN 0.313 8.503 8.280 0.035 0.111 0.504 215 V N -0.970 119.000 119.914 0.093 0.000 2.599 215 V HA -0.414 3.565 4.120 -0.236 0.000 0.245 215 V C 1.370 177.411 176.094 -0.089 0.000 1.046 215 V CA 2.032 64.306 62.300 -0.043 0.000 1.065 215 V CB -0.182 31.691 31.823 0.084 0.000 0.703 215 V HN -0.245 7.976 8.190 0.208 0.095 0.464 216 A N 1.026 123.812 122.820 -0.058 0.000 1.958 216 A HA -0.454 3.844 4.320 -0.037 0.000 0.221 216 A C 1.560 179.097 177.584 -0.079 0.000 1.178 216 A CA 3.441 55.445 52.037 -0.056 0.000 0.642 216 A CB -0.885 18.084 19.000 -0.052 0.000 0.816 216 A HN 1.012 8.948 8.150 -0.035 0.193 0.453 217 A N -2.109 120.636 122.820 -0.126 0.000 1.968 217 A HA -0.211 4.054 4.320 -0.091 0.000 0.217 217 A C 2.066 179.577 177.584 -0.121 0.000 1.169 217 A CA 2.815 54.773 52.037 -0.131 0.000 0.638 217 A CB -0.769 18.117 19.000 -0.190 0.000 0.812 217 A HN 0.167 8.213 8.150 -0.152 0.013 0.446 218 L N -1.370 119.754 121.223 -0.165 0.000 1.988 218 L HA -0.489 3.816 4.340 -0.059 0.000 0.207 218 L C 2.617 179.458 176.870 -0.048 0.000 1.071 218 L CA 4.006 58.782 54.840 -0.106 0.000 0.744 218 L CB -0.390 41.567 42.059 -0.170 0.000 0.893 218 L HN -0.770 7.181 8.230 -0.223 0.145 0.433 219 N N 0.052 118.725 118.700 -0.045 0.000 2.061 219 N HA -0.287 4.454 4.740 0.002 0.000 0.193 219 N C 1.312 176.815 175.510 -0.012 0.000 1.030 219 N CA 2.868 55.910 53.050 -0.013 0.000 0.856 219 N CB -0.109 38.373 38.487 -0.008 0.000 1.023 219 N HN 0.506 8.736 8.380 -0.063 0.112 0.424 220 A N -3.771 119.035 122.820 -0.023 0.000 2.278 220 A HA 0.170 4.485 4.320 -0.010 0.000 0.212 220 A C -0.197 177.378 177.584 -0.015 0.000 1.213 220 A CA -0.604 51.422 52.037 -0.018 0.000 0.840 220 A CB 0.532 19.518 19.000 -0.024 0.000 0.866 220 A HN -0.460 7.666 8.150 -0.037 0.002 0.489 221 G N -1.004 107.787 108.800 -0.015 0.000 2.341 221 G HA2 -0.376 3.602 3.960 0.007 0.000 0.292 221 G HA3 -0.376 3.589 3.960 0.007 0.000 0.292 221 G C -0.336 174.560 174.900 -0.006 0.000 1.021 221 G CA 0.847 45.947 45.100 -0.001 0.000 0.905 221 G HN -0.112 7.912 8.290 -0.020 0.253 0.508 222 D N -0.268 120.116 120.400 -0.027 0.000 2.639 222 D HA 0.151 4.782 4.640 -0.014 0.000 0.233 222 D C -0.092 176.186 176.300 -0.037 0.000 1.161 222 D CA -1.749 52.234 54.000 -0.028 0.000 1.003 222 D CB -0.888 39.889 40.800 -0.039 0.000 1.034 222 D HN 0.335 8.533 8.370 -0.043 0.146 0.514 223 L N 4.551 125.770 121.223 -0.007 0.000 2.051 223 L HA -0.422 3.906 4.340 -0.020 0.000 0.214 223 L C 0.882 177.747 176.870 -0.009 0.000 1.076 223 L CA 3.649 58.492 54.840 0.005 0.000 0.758 223 L CB -0.004 42.090 42.059 0.059 0.000 0.890 223 L HN -0.719 7.477 8.230 0.010 0.040 0.433 224 D N -2.565 117.833 120.400 -0.002 0.000 2.191 224 D HA -0.400 4.247 4.640 0.011 0.000 0.195 224 D C 2.365 178.653 176.300 -0.020 0.000 1.003 224 D CA 3.857 57.856 54.000 -0.002 0.000 0.867 224 D CB -0.469 40.328 40.800 -0.005 0.000 0.926 224 D HN 0.181 8.548 8.370 0.002 0.005 0.450 225 G N -1.907 106.865 108.800 -0.046 0.000 2.426 225 G HA2 -0.127 3.798 3.960 -0.058 0.000 0.214 225 G HA3 -0.127 3.782 3.960 -0.085 0.000 0.214 225 G C 0.922 175.757 174.900 -0.108 0.000 1.156 225 G CA 1.631 46.687 45.100 -0.073 0.000 0.802 225 G HN 0.373 8.695 8.290 -0.048 -0.061 0.534 226 I N 2.882 123.367 120.570 -0.143 0.000 2.113 226 I HA -0.578 3.370 4.170 -0.369 0.000 0.238 226 I C 1.693 177.826 176.117 0.026 0.000 1.070 226 I CA 3.935 65.095 61.300 -0.232 0.000 1.332 226 I CB -0.105 37.661 38.000 -0.389 0.000 1.044 226 I HN -0.841 7.187 8.210 -0.122 0.109 0.402 227 V N -1.345 118.633 119.914 0.108 0.000 2.392 227 V HA -0.459 3.868 4.120 0.345 0.000 0.249 227 V C 1.121 177.297 176.094 0.137 0.000 1.059 227 V CA 3.745 66.160 62.300 0.193 0.000 1.051 227 V CB -0.656 31.229 31.823 0.103 0.000 0.658 227 V HN 0.213 8.429 8.190 0.043 0.000 0.455 228 A N -1.247 121.599 122.820 0.042 0.000 1.865 228 A HA -0.241 4.091 4.320 0.020 0.000 0.217 228 A C 1.271 178.844 177.584 -0.018 0.000 1.191 228 A CA 2.650 54.690 52.037 0.006 0.000 0.623 228 A CB -0.143 18.840 19.000 -0.028 0.000 0.826 228 A HN -0.696 7.375 8.150 0.016 0.089 0.444 229 L N -4.269 116.905 121.223 -0.082 0.000 2.265 229 L HA -0.201 4.044 4.340 -0.159 0.000 0.215 229 L C -0.563 176.220 176.870 -0.145 0.000 1.117 229 L CA 1.741 56.481 54.840 -0.167 0.000 0.782 229 L CB 0.289 42.198 42.059 -0.249 0.000 0.914 229 L HN 0.074 8.131 8.230 -0.096 0.116 0.441 230 F N -2.109 117.848 119.950 0.012 0.000 2.410 230 F HA -0.062 4.547 4.527 0.136 0.000 0.348 230 F C -0.448 175.380 175.800 0.047 0.000 1.106 230 F CA -0.874 57.167 58.000 0.068 0.000 1.163 230 F CB 0.630 39.661 39.000 0.053 0.000 1.129 230 F HN -0.401 7.705 8.300 0.106 0.258 0.516 231 A N 5.495 128.502 122.820 0.311 0.000 2.532 231 A HA -0.252 4.133 4.320 0.108 0.000 0.248 231 A C 1.024 178.695 177.584 0.144 0.000 1.118 231 A CA 0.493 52.633 52.037 0.171 0.000 0.805 231 A CB 0.841 19.938 19.000 0.161 0.000 1.068 231 A HN 0.140 8.432 8.150 0.396 0.096 0.518 232 D N -2.462 117.992 120.400 0.090 0.000 2.265 232 D HA -0.298 4.382 4.640 0.067 0.000 0.208 232 D C -0.649 175.689 176.300 0.064 0.000 0.977 232 D CA 2.762 56.803 54.000 0.067 0.000 0.871 232 D CB 0.520 41.348 40.800 0.046 0.000 0.925 232 D HN 0.398 8.813 8.370 0.075 0.000 0.485 233 D N -7.482 112.961 120.400 0.072 0.000 3.216 233 D HA 0.017 4.645 4.640 0.032 0.031 0.348 233 D C -1.768 174.569 176.300 0.062 0.000 1.407 233 D CA -1.197 52.833 54.000 0.050 0.000 0.744 233 D CB -0.828 39.995 40.800 0.039 0.000 1.264 233 D HN -0.629 7.753 8.370 0.088 0.041 0.543 234 A N 1.068 123.952 122.820 0.106 0.000 2.492 234 A HA -0.044 4.472 4.320 0.186 -0.084 0.236 234 A C -0.331 177.280 177.584 0.046 0.000 1.078 234 A CA 0.878 53.017 52.037 0.170 0.000 0.773 234 A CB 1.161 20.436 19.000 0.458 0.000 1.023 234 A HN -0.595 7.553 8.150 0.132 0.081 0.504 235 T N -1.200 113.407 114.554 0.090 0.000 2.859 235 T HA 0.201 4.521 4.350 -0.050 0.000 0.281 235 T C -1.501 173.204 174.700 0.008 0.000 1.005 235 T CA -0.865 61.241 62.100 0.010 0.000 1.025 235 T CB 1.442 70.330 68.868 0.033 0.000 0.977 235 T HN 0.414 8.646 8.240 0.173 0.112 0.458 236 V N 3.693 123.539 119.914 -0.112 0.000 2.525 236 V HA 0.134 4.462 4.120 0.039 -0.184 0.299 236 V C -1.927 174.043 176.094 -0.208 0.000 1.034 236 V CA -1.285 60.946 62.300 -0.115 0.000 0.863 236 V CB 3.030 34.726 31.823 -0.213 0.000 0.999 236 V HN 0.406 8.493 8.190 -0.171 0.000 0.423 237 E N 8.361 128.498 120.200 -0.105 0.000 2.052 237 E HA 0.046 4.314 4.350 -0.138 0.000 0.283 237 E C -2.307 174.228 176.600 -0.108 0.000 1.071 237 E CA 0.076 56.411 56.400 -0.109 0.000 0.851 237 E CB 0.897 30.565 29.700 -0.052 0.000 1.066 237 E HN 0.791 9.007 8.360 -0.027 0.127 0.396 238 D N 2.704 123.010 120.400 -0.155 0.000 2.738 238 D HA 0.160 4.850 4.640 0.083 0.000 0.229 238 D C -2.570 173.813 176.300 0.139 0.000 1.200 238 D CA -2.059 51.932 54.000 -0.014 0.000 0.746 238 D CB 3.312 44.078 40.800 -0.056 0.000 1.597 238 D HN -0.455 7.782 8.370 -0.221 0.000 0.471 239 P HA 0.102 4.708 4.420 0.310 0.000 0.286 239 P C -1.292 176.110 177.300 0.170 0.000 1.293 239 P CA -0.426 62.835 63.100 0.267 0.000 0.770 239 P CB 0.908 32.789 31.700 0.300 0.000 1.206 240 V N -4.014 116.002 119.914 0.171 0.000 2.999 240 V HA -0.200 3.928 4.120 0.014 0.000 0.307 240 V C 1.465 177.546 176.094 -0.021 0.000 1.084 240 V CA 0.499 62.804 62.300 0.008 0.000 1.155 240 V CB -0.229 31.513 31.823 -0.135 0.000 0.975 240 V HN -0.039 8.347 8.190 0.327 0.000 0.490 241 G N 4.543 113.322 108.800 -0.036 0.000 2.269 241 G HA2 -0.334 3.606 3.960 -0.033 0.000 0.277 241 G HA3 -0.334 3.600 3.960 -0.043 0.000 0.277 241 G C -0.405 174.493 174.900 -0.004 0.000 1.008 241 G CA 1.196 46.278 45.100 -0.031 0.000 0.774 241 G HN 0.389 8.653 8.290 -0.044 0.000 0.511 242 S N -0.057 115.653 115.700 0.017 0.000 2.788 242 S HA 0.280 4.772 4.470 0.038 0.000 0.291 242 S C -1.319 173.301 174.600 0.033 0.000 1.061 242 S CA -1.123 57.103 58.200 0.044 0.000 0.923 242 S CB 2.177 65.434 63.200 0.096 0.000 1.339 242 S HN -0.504 7.760 8.310 0.015 0.054 0.591 243 E N 0.767 121.002 120.200 0.057 0.000 2.199 243 E HA 0.375 4.727 4.350 0.004 0.000 0.265 243 E C -2.034 174.559 176.600 -0.011 0.000 0.882 243 E CA -2.719 53.698 56.400 0.030 0.000 0.759 243 E CB 0.033 29.764 29.700 0.051 0.000 1.148 243 E HN 0.127 8.549 8.360 0.102 0.000 0.412 244 P HA 0.268 4.559 4.420 -0.413 -0.119 0.296 244 P C -0.665 176.509 177.300 -0.211 0.000 1.295 244 P CA -0.272 62.687 63.100 -0.235 0.000 0.754 244 P CB 0.803 32.414 31.700 -0.148 0.000 1.311 245 R N -1.062 119.274 120.500 -0.274 0.000 2.695 245 R HA 0.282 4.614 4.340 -0.013 0.000 0.288 245 R C -1.769 174.473 176.300 -0.095 0.000 1.344 245 R CA -0.563 55.475 56.100 -0.103 0.000 1.005 245 R CB 1.818 32.138 30.300 0.032 0.000 1.233 245 R HN -0.186 7.882 8.270 -0.337 0.000 0.442 246 S N 3.672 119.345 115.700 -0.045 0.000 2.610 246 S HA 0.708 5.391 4.470 -0.058 -0.248 0.273 246 S C -0.058 174.535 174.600 -0.012 0.000 1.274 246 S CA -0.870 57.310 58.200 -0.033 0.000 1.023 246 S CB 1.664 64.860 63.200 -0.007 0.000 0.962 246 S HN -0.018 8.277 8.310 -0.024 0.000 0.523 247 G N 1.701 110.496 108.800 -0.008 0.000 2.587 247 G HA2 -0.231 3.741 3.960 0.020 0.000 0.686 247 G HA3 -0.231 3.738 3.960 0.015 0.000 0.686 247 G C 0.064 174.965 174.900 0.002 0.000 1.236 247 G CA -0.477 44.629 45.100 0.009 0.000 0.820 247 G HN -0.291 7.865 8.290 -0.011 0.127 0.645 248 T N 2.872 117.439 114.554 0.021 0.000 2.812 248 T HA -0.341 4.023 4.350 0.024 0.000 0.264 248 T C 1.821 176.539 174.700 0.030 0.000 1.042 248 T CA 5.385 67.502 62.100 0.028 0.000 1.140 248 T CB -0.075 68.817 68.868 0.040 0.000 0.870 248 T HN 0.043 8.299 8.240 0.027 0.000 0.445 249 A N 0.369 123.208 122.820 0.032 0.000 1.933 249 A HA -0.213 4.131 4.320 0.041 0.000 0.218 249 A C 1.554 179.171 177.584 0.055 0.000 1.175 249 A CA 3.111 55.171 52.037 0.040 0.000 0.628 249 A CB -0.977 18.043 19.000 0.033 0.000 0.814 249 A HN 0.393 8.561 8.150 0.029 0.000 0.444 250 A N -0.835 122.016 122.820 0.052 0.000 1.840 250 A HA -0.226 4.170 4.320 0.126 0.000 0.214 250 A C 2.039 179.686 177.584 0.104 0.000 1.198 250 A CA 2.561 54.653 52.037 0.091 0.000 0.608 250 A CB -0.660 18.376 19.000 0.059 0.000 0.839 250 A HN -0.258 7.901 8.150 0.035 0.011 0.443 251 I N -0.867 119.693 120.570 -0.017 0.000 2.185 251 I HA -0.559 3.508 4.170 -0.172 0.000 0.246 251 I C 2.201 178.357 176.117 0.064 0.000 1.088 251 I CA 4.399 65.616 61.300 -0.138 0.000 1.347 251 I CB -0.412 37.331 38.000 -0.429 0.000 1.041 251 I HN 0.246 8.323 8.210 -0.042 0.107 0.415 252 R N -0.934 119.615 120.500 0.081 0.000 2.052 252 R HA -0.300 4.154 4.340 0.190 0.000 0.226 252 R C 1.715 178.105 176.300 0.150 0.000 1.145 252 R CA 3.594 59.776 56.100 0.137 0.000 0.952 252 R CB -0.188 30.164 30.300 0.087 0.000 0.847 252 R HN 0.229 8.412 8.270 0.043 0.113 0.431 253 E N -0.464 119.802 120.200 0.110 0.000 2.233 253 E HA -0.334 4.040 4.350 0.040 0.000 0.199 253 E C 2.504 179.141 176.600 0.060 0.000 1.004 253 E CA 3.010 59.452 56.400 0.069 0.000 0.819 253 E CB -0.289 29.444 29.700 0.056 0.000 0.738 253 E HN 0.293 8.575 8.360 0.093 0.133 0.478 254 F N 0.121 120.083 119.950 0.019 0.000 2.135 254 F HA -0.195 4.315 4.527 -0.029 0.000 0.280 254 F C 1.344 177.144 175.800 -0.000 0.000 1.109 254 F CA 3.666 61.661 58.000 -0.009 0.000 1.163 254 F CB 0.562 39.548 39.000 -0.023 0.000 1.062 254 F HN 0.201 8.447 8.300 0.297 0.233 0.496 255 F N -0.638 119.470 119.950 0.263 0.000 2.184 255 F HA -0.583 4.064 4.527 0.199 0.000 0.301 255 F C 1.483 177.326 175.800 0.072 0.000 1.076 255 F CA 4.088 62.186 58.000 0.163 0.000 1.295 255 F CB -0.075 39.017 39.000 0.154 0.000 1.026 255 F HN 0.243 8.767 8.300 0.541 0.100 0.494 256 A N -1.445 121.508 122.820 0.222 0.000 1.873 256 A HA -0.401 3.994 4.320 0.126 0.000 0.215 256 A C 1.570 179.167 177.584 0.022 0.000 1.186 256 A CA 3.536 55.638 52.037 0.108 0.000 0.616 256 A CB -1.097 17.947 19.000 0.073 0.000 0.823 256 A HN 1.018 9.159 8.150 0.238 0.152 0.442 257 N N -1.944 116.730 118.700 -0.044 0.000 2.205 257 N HA -0.283 4.401 4.740 -0.093 0.000 0.186 257 N C 1.846 177.288 175.510 -0.114 0.000 1.015 257 N CA 2.482 55.460 53.050 -0.120 0.000 0.862 257 N CB -0.587 37.748 38.487 -0.253 0.000 0.986 257 N HN -0.438 7.840 8.380 -0.039 0.079 0.429 258 S N -0.838 114.799 115.700 -0.104 0.000 2.387 258 S HA -0.161 4.227 4.470 -0.137 0.000 0.226 258 S C 2.363 176.931 174.600 -0.054 0.000 1.026 258 S CA 2.726 60.856 58.200 -0.116 0.000 0.972 258 S CB 0.192 63.269 63.200 -0.205 0.000 0.814 258 S HN -0.416 7.721 8.310 -0.080 0.125 0.477 259 L N 2.915 124.142 121.223 0.005 0.000 2.201 259 L HA -0.197 4.160 4.340 0.029 0.000 0.212 259 L C 0.711 177.580 176.870 -0.002 0.000 1.105 259 L CA 1.662 56.518 54.840 0.026 0.000 0.775 259 L CB -0.335 41.762 42.059 0.063 0.000 0.913 259 L HN -0.246 7.899 8.230 0.032 0.104 0.440 260 K N -2.787 117.601 120.400 -0.019 0.000 2.228 260 K HA -0.311 4.001 4.320 -0.013 0.000 0.205 260 K C 0.283 176.864 176.600 -0.030 0.000 1.045 260 K CA 2.322 58.594 56.287 -0.026 0.000 0.931 260 K CB -0.118 32.357 32.500 -0.043 0.000 0.727 260 K HN -0.618 7.490 8.250 -0.025 0.128 0.458 261 L N 1.493 122.687 121.223 -0.047 0.000 2.283 261 L HA 0.260 4.565 4.340 -0.058 0.000 0.287 261 L C -2.083 174.776 176.870 -0.018 0.000 1.073 261 L CA -3.044 51.759 54.840 -0.062 0.000 0.822 261 L CB 0.973 42.953 42.059 -0.131 0.000 1.186 261 L HN -0.668 7.379 8.230 -0.053 0.151 0.436 262 P HA 0.111 4.546 4.420 0.026 0.000 0.271 262 P C -1.354 175.984 177.300 0.064 0.000 1.380 262 P CA -0.180 62.940 63.100 0.033 0.000 0.992 262 P CB -1.363 30.359 31.700 0.036 0.000 1.230 263 L N -1.618 119.645 121.223 0.066 0.000 2.170 263 L HA 0.521 4.937 4.340 0.126 0.000 0.247 263 L C -1.508 175.405 176.870 0.072 0.000 1.078 263 L CA -1.927 52.976 54.840 0.105 0.000 0.936 263 L CB 2.570 44.717 42.059 0.146 0.000 1.528 263 L HN -0.699 7.559 8.230 0.047 0.000 0.455 264 A N -0.225 122.641 122.820 0.077 0.000 2.318 264 A HA 0.271 4.618 4.320 0.046 0.000 0.317 264 A C -1.611 176.023 177.584 0.084 0.000 1.159 264 A CA -1.023 51.049 52.037 0.059 0.000 0.799 264 A CB 1.708 20.733 19.000 0.041 0.000 1.194 264 A HN 0.005 8.112 8.150 0.097 0.100 0.479 265 V N 4.228 124.184 119.914 0.069 0.000 2.347 265 V HA 0.437 4.805 4.120 0.151 -0.157 0.280 265 V C -0.476 175.671 176.094 0.089 0.000 1.021 265 V CA -0.803 61.550 62.300 0.088 0.000 0.847 265 V CB 1.045 32.877 31.823 0.015 0.000 0.990 265 V HN 0.240 8.458 8.190 0.046 0.000 0.444 266 E N 8.811 129.095 120.200 0.140 0.000 2.378 266 E HA 0.203 4.613 4.350 0.101 0.000 0.282 266 E C -1.092 175.616 176.600 0.181 0.000 0.910 266 E CA -0.898 55.577 56.400 0.125 0.000 0.816 266 E CB 2.833 32.585 29.700 0.087 0.000 1.359 266 E HN -0.223 8.252 8.360 0.192 0.000 0.397 267 L N 3.851 125.197 121.223 0.205 0.000 2.453 267 L HA -0.233 4.322 4.340 0.359 0.000 0.283 267 L C 1.041 178.014 176.870 0.172 0.000 1.284 267 L CA 1.988 56.979 54.840 0.251 0.000 0.822 267 L CB 0.361 42.557 42.059 0.229 0.000 1.081 267 L HN 0.520 8.853 8.230 0.172 0.000 0.562 268 T N -5.215 109.434 114.554 0.159 0.000 3.304 268 T HA 0.008 4.413 4.350 0.093 0.000 0.269 268 T C 0.302 175.057 174.700 0.093 0.000 0.895 268 T CA -0.372 61.793 62.100 0.108 0.000 0.948 268 T CB 0.941 69.868 68.868 0.098 0.000 1.242 268 T HN 0.260 8.612 8.240 0.186 0.000 0.522 269 Q N 2.051 121.914 119.800 0.105 0.000 2.846 269 Q HA 0.054 4.436 4.340 0.069 0.000 0.185 269 Q C -1.058 174.999 176.000 0.095 0.000 1.105 269 Q CA -0.734 55.120 55.803 0.086 0.000 0.724 269 Q CB 0.816 29.600 28.738 0.077 0.000 4.033 269 Q HN -0.485 7.861 8.270 0.128 0.000 0.373 270 E N 0.659 120.912 120.200 0.089 0.000 2.171 270 E HA 0.139 4.541 4.350 0.088 0.000 0.271 270 E C -1.136 175.534 176.600 0.117 0.000 0.916 270 E CA -1.188 55.266 56.400 0.088 0.000 0.774 270 E CB 1.422 31.159 29.700 0.062 0.000 1.128 270 E HN 0.075 8.482 8.360 0.078 0.000 0.403 271 V N 4.554 124.550 119.914 0.136 0.000 2.999 271 V HA -0.239 4.047 4.120 0.278 0.000 0.307 271 V C -0.110 176.065 176.094 0.136 0.000 1.084 271 V CA 1.178 63.591 62.300 0.188 0.000 1.155 271 V CB 0.561 32.473 31.823 0.149 0.000 0.975 271 V HN 0.334 8.592 8.190 0.114 0.000 0.490 272 R N 3.617 124.209 120.500 0.154 0.000 2.562 272 R HA 0.282 4.660 4.340 0.064 0.000 0.298 272 R C -1.637 174.702 176.300 0.065 0.000 0.961 272 R CA -1.456 54.693 56.100 0.080 0.000 0.881 272 R CB 2.013 32.340 30.300 0.046 0.000 1.159 272 R HN 0.612 8.939 8.270 0.236 0.084 0.450 273 A N 4.316 127.158 122.820 0.037 0.000 2.437 273 A HA 0.405 4.716 4.320 -0.016 0.000 0.293 273 A C -1.945 175.644 177.584 0.008 0.000 1.038 273 A CA -0.370 51.678 52.037 0.018 0.000 0.708 273 A CB 2.055 21.088 19.000 0.056 0.000 1.251 273 A HN 0.256 8.427 8.150 0.035 0.000 0.409 274 V N 0.865 120.769 119.914 -0.016 0.000 3.114 274 V HA 0.292 4.420 4.120 0.013 0.000 0.308 274 V C -0.101 175.991 176.094 -0.003 0.000 1.168 274 V CA -2.436 59.864 62.300 -0.001 0.000 1.015 274 V CB 3.189 35.011 31.823 -0.001 0.000 1.050 274 V HN -0.519 7.640 8.190 -0.051 0.000 0.433 275 A N 3.539 126.366 122.820 0.012 0.000 5.778 275 A HA -0.462 3.871 4.320 0.022 0.000 0.313 275 A C -1.053 176.545 177.584 0.023 0.000 1.849 275 A CA 2.003 54.050 52.037 0.017 0.000 0.746 275 A CB -1.363 17.643 19.000 0.011 0.000 1.308 275 A HN 0.627 8.786 8.150 0.016 0.000 0.397 276 N N 0.764 119.477 118.700 0.022 0.000 2.463 276 N HA -0.108 4.689 4.740 0.096 0.000 0.181 276 N C 0.421 175.906 175.510 -0.041 0.000 1.078 276 N CA 1.147 54.226 53.050 0.049 0.000 0.902 276 N CB 0.415 38.937 38.487 0.058 0.000 0.970 276 N HN 0.172 8.563 8.380 0.018 0.000 0.451 277 E N -0.743 119.394 120.200 -0.105 0.000 3.466 277 E HA 0.007 4.136 4.350 -0.368 0.000 0.265 277 E C -1.729 174.660 176.600 -0.351 0.000 1.291 277 E CA -0.258 55.994 56.400 -0.245 0.000 1.226 277 E CB 2.033 31.681 29.700 -0.086 0.000 1.404 277 E HN -0.722 7.557 8.360 -0.049 0.052 0.697 278 A N -4.048 118.589 122.820 -0.305 0.000 2.522 278 A HA 0.078 4.386 4.320 -0.138 -0.070 0.294 278 A C -3.097 174.378 177.584 -0.182 0.000 1.001 278 A CA 0.280 52.196 52.037 -0.202 0.000 0.642 278 A CB 2.780 21.627 19.000 -0.255 0.000 1.326 278 A HN -0.066 7.942 8.150 -0.236 0.000 0.435 279 A N -1.339 121.418 122.820 -0.105 0.000 2.488 279 A HA 0.807 5.052 4.320 -0.286 -0.097 0.298 279 A C -2.780 174.896 177.584 0.153 0.000 1.044 279 A CA -0.884 51.019 52.037 -0.223 0.000 0.693 279 A CB 2.962 21.608 19.000 -0.590 0.000 1.272 279 A HN 0.893 8.893 8.150 -0.015 0.141 0.402 280 F N -1.780 118.149 119.950 -0.035 0.000 2.745 280 F HA 0.479 5.035 4.527 0.047 0.000 0.316 280 F C -3.268 172.582 175.800 0.084 0.000 1.155 280 F CA -1.692 56.346 58.000 0.064 0.000 0.937 280 F CB 2.431 41.513 39.000 0.137 0.000 1.361 280 F HN 0.987 9.017 8.300 -0.261 0.114 0.472 281 A N -1.768 121.117 122.820 0.109 0.000 2.566 281 A HA 0.299 4.229 4.320 -0.650 0.000 0.292 281 A C -2.325 175.371 177.584 0.186 0.000 1.112 281 A CA -0.682 51.247 52.037 -0.180 0.000 0.707 281 A CB 2.872 21.773 19.000 -0.165 0.000 1.302 281 A HN -0.009 8.363 8.150 0.369 0.000 0.409 282 F N -6.601 113.403 119.950 0.091 0.000 3.090 282 F HA 0.368 4.984 4.527 0.149 0.000 0.324 282 F C -2.322 173.540 175.800 0.104 0.000 1.189 282 F CA -1.174 56.914 58.000 0.146 0.000 0.907 282 F CB 1.077 40.216 39.000 0.232 0.000 1.445 282 F HN -0.195 7.485 8.300 -1.033 0.000 0.500 283 T N -1.206 113.560 114.554 0.353 0.000 2.893 283 T HA 0.309 4.863 4.350 0.124 -0.129 0.293 283 T C -1.379 173.482 174.700 0.269 0.000 1.027 283 T CA -0.656 61.571 62.100 0.212 0.000 0.988 283 T CB 2.863 71.820 68.868 0.148 0.000 1.043 283 T HN -0.111 8.398 8.240 0.449 0.000 0.461 284 V N 5.250 125.296 119.914 0.221 0.000 2.328 284 V HA 0.326 4.742 4.120 0.222 -0.163 0.278 284 V C -0.519 175.681 176.094 0.176 0.000 1.021 284 V CA -1.434 60.997 62.300 0.219 0.000 0.838 284 V CB 1.016 32.968 31.823 0.215 0.000 0.999 284 V HN 0.126 8.310 8.190 0.178 0.113 0.447 285 S N 8.439 124.208 115.700 0.114 0.000 3.158 285 S HA 0.316 4.755 4.470 -0.052 0.000 0.215 285 S C -0.485 174.105 174.600 -0.016 0.000 1.359 285 S CA -1.327 56.875 58.200 0.004 0.000 0.974 285 S CB -0.636 62.554 63.200 -0.015 0.000 1.336 285 S HN -0.099 8.282 8.310 0.118 0.000 0.488 286 F N 2.291 122.191 119.950 -0.083 0.000 2.348 286 F HA 0.354 4.828 4.527 -0.088 0.000 0.308 286 F C -1.508 174.189 175.800 -0.172 0.000 1.175 286 F CA -1.666 56.256 58.000 -0.131 0.000 1.080 286 F CB 2.049 40.935 39.000 -0.190 0.000 1.341 286 F HN -0.639 7.731 8.300 0.117 0.000 0.518 287 E N -1.755 118.363 120.200 -0.137 0.000 2.312 287 E HA 0.127 4.166 4.350 -0.518 0.000 0.267 287 E C -1.668 174.945 176.600 0.022 0.000 0.894 287 E CA -1.505 54.751 56.400 -0.240 0.000 0.773 287 E CB 3.578 33.243 29.700 -0.059 0.000 1.241 287 E HN 0.020 8.520 8.360 0.234 0.000 0.432 288 F N 1.487 121.493 119.950 0.094 0.000 2.456 288 F HA 0.329 5.046 4.527 0.317 0.000 0.364 288 F C 0.338 176.199 175.800 0.103 0.000 1.092 288 F CA -0.945 57.175 58.000 0.199 0.000 1.125 288 F CB 1.616 40.720 39.000 0.174 0.000 1.543 288 F HN 0.347 8.588 8.300 0.061 0.095 0.504 289 Q N -0.793 119.232 119.800 0.374 0.000 2.412 289 Q HA 0.086 4.522 4.340 0.159 0.000 0.298 289 Q C -0.633 175.437 176.000 0.116 0.000 0.938 289 Q CA -0.164 55.745 55.803 0.177 0.000 0.968 289 Q CB -1.198 27.612 28.738 0.120 0.000 1.187 289 Q HN 0.297 8.817 8.270 0.417 0.000 0.421 290 G N -1.345 107.534 108.800 0.132 0.000 3.468 290 G HA2 -0.070 3.926 3.960 0.061 0.000 0.219 290 G HA3 -0.070 3.923 3.960 0.056 0.000 0.219 290 G C -1.124 173.827 174.900 0.086 0.000 0.968 290 G CA -0.310 44.837 45.100 0.079 0.000 0.851 290 G HN -0.615 7.686 8.290 0.183 0.098 0.524 291 R N -0.565 120.025 120.500 0.150 0.000 2.960 291 R HA 0.171 4.555 4.340 0.074 0.000 0.249 291 R C -1.880 174.486 176.300 0.110 0.000 1.192 291 R CA -1.159 55.022 56.100 0.135 0.000 1.035 291 R CB 2.827 33.229 30.300 0.171 0.000 1.234 291 R HN -0.488 7.921 8.270 0.233 0.000 0.493 292 K N 0.058 120.463 120.400 0.009 0.000 2.545 292 K HA 0.435 4.579 4.320 -0.293 0.000 0.252 292 K C -1.571 174.861 176.600 -0.280 0.000 0.948 292 K CA -1.053 55.122 56.287 -0.186 0.000 0.827 292 K CB 1.418 33.830 32.500 -0.147 0.000 1.128 292 K HN 0.518 8.786 8.250 0.029 0.000 0.429 293 T N 1.932 116.073 114.554 -0.688 0.000 2.856 293 T HA 0.263 4.502 4.350 -0.186 0.000 0.283 293 T C -1.991 172.297 174.700 -0.687 0.000 1.008 293 T CA -1.483 60.305 62.100 -0.520 0.000 0.997 293 T CB 2.323 71.088 68.868 -0.171 0.000 0.992 293 T HN -0.218 7.291 8.240 -1.218 0.000 0.454 294 V N 2.007 121.819 119.914 -0.170 0.000 3.158 294 V HA 0.820 5.063 4.120 -0.063 -0.161 0.315 294 V C -2.626 173.591 176.094 0.205 0.000 1.148 294 V CA -3.658 58.630 62.300 -0.021 0.000 1.042 294 V CB 2.793 34.575 31.823 -0.068 0.000 1.101 294 V HN 0.220 8.390 8.190 -0.032 0.000 0.448 295 V N -0.638 119.401 119.914 0.209 0.000 3.078 295 V HA 0.173 4.427 4.120 0.225 0.000 0.311 295 V C -2.156 174.028 176.094 0.150 0.000 1.138 295 V CA -2.053 60.367 62.300 0.200 0.000 1.007 295 V CB 4.174 36.095 31.823 0.163 0.000 1.045 295 V HN 0.111 8.307 8.190 0.171 0.097 0.432 296 A N 2.485 125.365 122.820 0.100 0.000 3.216 296 A HA 0.738 5.205 4.320 0.021 -0.134 0.321 296 A C -3.360 174.192 177.584 -0.053 0.000 1.042 296 A CA -2.673 49.386 52.037 0.036 0.000 0.838 296 A CB 0.542 19.594 19.000 0.087 0.000 1.136 296 A HN 0.955 9.052 8.150 0.094 0.109 0.483 297 P HA 0.703 5.102 4.420 -0.035 0.000 0.314 297 P C -1.845 175.180 177.300 -0.459 0.000 1.306 297 P CA -1.829 61.143 63.100 -0.213 0.000 0.782 297 P CB 1.494 33.023 31.700 -0.286 0.000 1.337 298 I N -3.990 116.331 120.570 -0.415 0.000 3.074 298 I HA 0.546 4.270 4.170 -0.742 0.000 0.310 298 I C -1.887 173.925 176.117 -0.508 0.000 1.153 298 I CA -0.828 60.163 61.300 -0.515 0.000 0.993 298 I CB 4.441 42.296 38.000 -0.242 0.000 1.237 298 I HN 0.487 8.563 8.210 -0.222 0.000 0.443 299 D N 0.412 120.393 120.400 -0.698 0.000 2.547 299 D HA 0.476 5.015 4.640 -0.292 -0.075 0.231 299 D C -1.931 174.061 176.300 -0.514 0.000 1.099 299 D CA -1.769 51.849 54.000 -0.636 0.000 0.901 299 D CB 4.271 44.508 40.800 -0.938 0.000 1.478 299 D HN 0.938 8.659 8.370 -0.861 0.132 0.471 300 H N 1.543 120.409 119.070 -0.340 0.000 2.693 300 H HA 0.291 4.798 4.556 -0.082 0.000 0.348 300 H C -0.836 174.420 175.328 -0.120 0.000 1.222 300 H CA -0.425 55.538 56.048 -0.142 0.000 1.270 300 H CB 3.808 33.525 29.762 -0.075 0.000 1.798 300 H HN 0.884 8.981 8.280 -0.090 0.129 0.592 301 F N -1.847 118.091 119.950 -0.021 0.000 2.631 301 F HA 0.181 4.738 4.527 0.050 0.000 0.308 301 F C -2.011 173.604 175.800 -0.309 0.000 1.097 301 F CA -0.649 57.263 58.000 -0.146 0.000 0.952 301 F CB 5.182 43.964 39.000 -0.364 0.000 1.307 301 F HN 0.749 9.021 8.300 -0.047 0.000 0.450 302 R N 1.391 121.937 120.500 0.078 0.000 2.797 302 R HA 0.293 4.545 4.340 -0.147 0.000 0.274 302 R C -2.236 174.116 176.300 0.086 0.000 1.652 302 R CA -0.719 55.367 56.100 -0.023 0.000 1.175 302 R CB 2.304 32.681 30.300 0.128 0.000 1.283 302 R HN 0.462 9.007 8.270 0.459 0.000 0.513 303 F N 2.462 122.453 119.950 0.068 0.000 2.266 303 F HA 0.266 4.797 4.527 0.006 0.000 0.306 303 F C 0.694 176.500 175.800 0.010 0.000 1.016 303 F CA -2.742 55.255 58.000 -0.005 0.000 1.127 303 F CB 1.503 40.445 39.000 -0.096 0.000 1.735 303 F HN 0.392 8.395 8.300 -0.495 0.000 0.540 304 N N -2.500 116.333 118.700 0.222 0.000 2.116 304 N HA 0.013 4.813 4.740 0.100 0.000 0.230 304 N C -0.293 175.253 175.510 0.060 0.000 1.326 304 N CA -0.001 53.114 53.050 0.107 0.000 0.867 304 N CB 2.304 40.838 38.487 0.079 0.000 1.174 304 N HN 0.551 9.063 8.380 0.219 0.000 0.506 305 G N -0.236 108.599 108.800 0.058 0.000 2.867 305 G HA2 -0.233 3.734 3.960 0.013 0.000 0.182 305 G HA3 -0.233 3.724 3.960 -0.004 0.000 0.182 305 G C -0.536 174.312 174.900 -0.086 0.000 1.029 305 G CA 0.102 45.200 45.100 -0.002 0.000 1.093 305 G HN -0.297 8.063 8.290 0.117 0.000 0.585 306 A N -1.785 120.938 122.820 -0.160 0.000 2.745 306 A HA -0.293 3.750 4.320 -0.461 0.000 0.296 306 A C -1.004 176.430 177.584 -0.250 0.000 1.500 306 A CA 1.113 52.948 52.037 -0.336 0.000 0.766 306 A CB -0.847 17.906 19.000 -0.411 0.000 1.030 306 A HN -0.043 8.045 8.150 -0.104 0.000 0.489 307 G N -3.393 105.295 108.800 -0.186 0.000 4.432 307 G HA2 0.123 4.006 3.960 -0.129 0.000 0.294 307 G HA3 0.123 4.039 3.960 -0.072 0.000 0.294 307 G C -1.266 173.554 174.900 -0.133 0.000 1.141 307 G CA -0.544 44.481 45.100 -0.125 0.000 0.895 307 G HN 0.107 8.289 8.290 -0.169 0.006 0.548 308 K N -4.065 116.189 120.400 -0.242 0.000 1.804 308 K HA -0.322 3.794 4.320 -0.340 0.000 0.814 308 K C -1.921 174.509 176.600 -0.284 0.000 2.081 308 K CA 0.390 56.522 56.287 -0.260 0.000 1.325 308 K CB -0.550 31.881 32.500 -0.115 0.000 2.487 308 K HN -0.719 7.275 8.250 -0.316 0.066 0.272 309 V N 1.113 120.949 119.914 -0.131 0.000 2.481 309 V HA 0.071 4.359 4.120 0.280 0.000 0.286 309 V C -0.421 175.865 176.094 0.320 0.000 1.042 309 V CA -0.833 61.555 62.300 0.145 0.000 0.928 309 V CB 0.317 32.216 31.823 0.126 0.000 0.986 309 V HN -0.312 7.818 8.190 -0.101 0.000 0.462 310 V N 7.273 127.433 119.914 0.411 0.000 2.868 310 V HA 0.115 4.388 4.120 0.254 0.000 0.227 310 V C 0.277 176.573 176.094 0.337 0.000 1.136 310 V CA 0.264 62.746 62.300 0.304 0.000 1.206 310 V CB 0.974 32.930 31.823 0.223 0.000 0.997 310 V HN 0.532 9.052 8.190 0.550 0.000 0.505 311 S N -2.229 113.665 115.700 0.323 0.000 2.704 311 S HA 0.565 5.429 4.470 0.252 -0.242 0.305 311 S C -1.897 172.924 174.600 0.369 0.000 1.107 311 S CA -1.045 57.321 58.200 0.277 0.000 0.993 311 S CB 1.865 65.165 63.200 0.166 0.000 1.110 311 S HN 0.204 8.583 8.310 0.306 0.115 0.534 312 M N -1.661 118.110 119.600 0.284 0.000 2.534 312 M HA 0.202 4.819 4.480 0.228 0.000 0.280 312 M C -2.848 173.530 176.300 0.131 0.000 1.217 312 M CA 0.189 55.637 55.300 0.248 0.000 0.893 312 M CB 4.817 37.651 32.600 0.390 0.000 1.730 312 M HN 0.624 8.961 8.290 0.197 0.072 0.483 313 R N 0.281 120.842 120.500 0.101 0.000 2.905 313 R HA 0.442 4.896 4.340 0.015 -0.106 0.260 313 R C -2.214 174.102 176.300 0.028 0.000 1.086 313 R CA -1.446 54.681 56.100 0.045 0.000 0.978 313 R CB 4.960 35.256 30.300 -0.007 0.000 1.215 313 R HN -0.453 7.743 8.270 0.098 0.133 0.480 314 A N -0.296 122.531 122.820 0.011 0.000 2.427 314 A HA 0.418 4.819 4.320 -0.030 -0.099 0.298 314 A C -2.541 175.103 177.584 0.101 0.000 1.036 314 A CA -0.773 51.281 52.037 0.028 0.000 0.701 314 A CB 2.844 21.867 19.000 0.039 0.000 1.250 314 A HN 0.107 8.256 8.150 -0.002 0.000 0.412 315 L N 2.698 123.977 121.223 0.094 0.000 2.362 315 L HA 0.681 5.088 4.340 0.111 0.000 0.271 315 L C -2.385 174.658 176.870 0.289 0.000 1.002 315 L CA -0.494 54.420 54.840 0.124 0.000 0.818 315 L CB 3.144 45.198 42.059 -0.009 0.000 1.298 315 L HN 0.530 8.650 8.230 -0.001 0.110 0.420 316 F N 0.642 120.531 119.950 -0.102 0.000 4.047 316 F HA 0.160 4.624 4.527 -0.106 0.000 0.308 316 F C -2.174 173.585 175.800 -0.068 0.000 0.906 316 F CA -0.161 57.782 58.000 -0.096 0.000 0.781 316 F CB 0.496 39.434 39.000 -0.103 0.000 1.828 316 F HN -0.039 8.188 8.300 -0.122 0.000 0.440 317 G N -1.333 107.263 108.800 -0.340 0.000 2.324 317 G HA2 -0.123 3.373 3.960 -0.774 0.000 0.293 317 G HA3 -0.123 3.632 3.960 -0.341 0.000 0.293 317 G C -1.764 173.111 174.900 -0.042 0.000 1.297 317 G CA -0.162 44.688 45.100 -0.416 0.000 0.853 317 G HN -0.015 8.478 8.290 0.339 0.000 0.535 318 E N -1.479 118.688 120.200 -0.055 0.000 2.516 318 E HA -0.127 4.266 4.350 0.071 0.000 0.199 318 E C 0.231 176.827 176.600 -0.006 0.000 1.069 318 E CA 0.939 57.347 56.400 0.014 0.000 0.876 318 E CB 0.039 29.740 29.700 0.001 0.000 0.843 318 E HN -0.082 8.209 8.360 -0.114 0.000 0.530 319 K N -2.565 117.814 120.400 -0.034 0.000 2.284 319 K HA -0.010 4.278 4.320 -0.054 0.000 0.198 319 K C 0.617 177.181 176.600 -0.060 0.000 1.048 319 K CA 0.833 57.089 56.287 -0.051 0.000 0.987 319 K CB 0.317 32.782 32.500 -0.059 0.000 0.800 319 K HN -0.320 7.812 8.250 -0.054 0.086 0.486 320 N N -1.412 117.277 118.700 -0.019 0.000 2.383 320 N HA -0.009 4.703 4.740 -0.048 0.000 0.192 320 N C -0.526 174.994 175.510 0.016 0.000 1.141 320 N CA 0.069 53.116 53.050 -0.006 0.000 0.851 320 N CB 0.164 38.678 38.487 0.045 0.000 0.976 320 N HN -0.672 7.603 8.380 -0.002 0.104 0.465 321 I N -1.545 119.037 120.570 0.020 0.000 3.783 321 I HA 0.426 4.671 4.170 0.126 0.000 0.272 321 I C -0.053 176.060 176.117 -0.006 0.000 1.329 321 I CA -0.897 60.450 61.300 0.077 0.000 0.887 321 I CB 1.140 39.216 38.000 0.127 0.000 1.596 321 I HN -0.768 7.353 8.210 0.005 0.092 0.712 322 H N -0.033 119.099 119.070 0.103 0.000 3.037 322 H HA 0.122 4.714 4.556 0.059 0.000 0.355 322 H C -1.774 173.604 175.328 0.084 0.000 1.263 322 H CA -0.456 55.635 56.048 0.071 0.000 1.129 322 H CB 3.914 33.703 29.762 0.044 0.000 1.861 322 H HN -0.132 8.288 8.280 0.233 0.000 0.546 323 A N 1.998 124.994 122.820 0.293 0.000 2.969 323 A HA 0.145 4.569 4.320 0.174 0.000 0.303 323 A C -1.861 175.806 177.584 0.138 0.000 1.198 323 A CA 0.189 52.336 52.037 0.183 0.000 0.819 323 A CB 1.175 20.266 19.000 0.152 0.000 1.385 323 A HN 0.264 8.678 8.150 0.439 0.000 0.479 324 G N 0.135 108.984 108.800 0.081 0.000 2.735 324 G HA2 0.374 4.367 3.960 0.055 0.000 0.301 324 G HA3 0.374 4.334 3.960 -0.000 0.000 0.301 324 G C -1.701 173.208 174.900 0.015 0.000 1.279 324 G CA -0.389 44.732 45.100 0.036 0.000 1.019 324 G HN 0.271 8.593 8.290 0.054 0.000 0.497 325 A N 0.000 122.823 122.820 0.006 0.000 2.254 325 A HA 0.000 4.327 4.320 0.012 0.000 0.244 325 A CA 0.000 52.039 52.037 0.004 0.000 0.836 325 A CB 0.000 19.006 19.000 0.009 0.000 0.831 325 A HN 0.000 8.153 8.150 0.005 0.000 0.486