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 1djs_1_A DATA FIRST_RESID 147 DATA SEQUENCE TLEPEGAPYW TNTEKXEKRL HAVPAANTVK FRcPAGGNPX PTXRWLKNGK DATA SEQUENCE EFKQEHRIGG YKVRNQHWSL IXESVVPSDK GNYTcVVENE YGSINHTYHL DATA SEQUENCE DVVERSPHRP ILQAGLPANA STVVGGDVEF VcKVYSDAQP HIQWIKHVEK DATA SEQUENCE XXXXXXXXXX PYLKVLKAAG VNTTDKEIEV LYIRNVTFED AGEYTcLAGN DATA SEQUENCE SIGISFHSAW LTVLPA 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 147 T HA 0.000 4.350 4.350 0.000 0.000 0.228 147 T C 0.000 174.714 174.700 0.023 0.000 1.109 147 T CA 0.000 62.112 62.100 0.020 0.000 1.349 147 T CB 0.000 68.877 68.868 0.016 0.000 0.612 148 L N -0.664 120.574 121.223 0.025 0.000 2.811 148 L HA 0.344 4.685 4.340 0.002 0.000 0.304 148 L C 0.325 177.210 176.870 0.024 0.000 1.227 148 L CA 0.388 55.245 54.840 0.028 0.000 0.880 148 L CB -1.259 40.814 42.059 0.024 0.000 1.169 148 L HN 0.833 9.063 8.230 0.000 0.000 0.498 149 E N 2.991 123.210 120.200 0.031 0.000 2.320 149 E HA 0.634 4.985 4.350 0.002 0.000 0.264 149 E C -2.227 174.386 176.600 0.021 0.000 0.923 149 E CA -1.926 54.486 56.400 0.021 0.000 0.796 149 E CB 1.242 30.955 29.700 0.021 0.000 1.262 149 E HN 0.664 9.024 8.360 0.000 0.000 0.428 150 P HA 0.028 4.448 4.420 0.000 0.000 0.271 150 P C -0.865 176.428 177.300 -0.011 0.000 1.233 150 P CA -0.002 63.090 63.100 -0.015 0.000 0.789 150 P CB 0.555 32.228 31.700 -0.045 0.000 0.951 151 E N -0.257 119.920 120.200 -0.038 0.000 2.373 151 E HA 0.487 4.838 4.350 0.002 0.000 0.267 151 E C 0.360 176.841 176.600 -0.197 0.000 1.032 151 E CA -0.034 56.332 56.400 -0.057 0.000 0.889 151 E CB 0.690 30.366 29.700 -0.040 0.000 0.984 151 E HN 0.698 9.058 8.360 0.000 0.000 0.425 152 G N 0.443 109.171 108.800 -0.120 0.000 2.368 152 G HA2 0.437 4.398 3.960 0.002 0.000 0.293 152 G HA3 0.437 4.398 3.960 0.002 0.000 0.293 152 G C -1.314 173.641 174.900 0.092 0.000 1.467 152 G CA -0.386 44.626 45.100 -0.146 0.000 0.804 152 G HN 0.591 8.881 8.290 0.000 0.000 0.535 153 A N 0.925 123.799 122.820 0.090 0.000 2.406 153 A HA 0.750 5.071 4.320 0.002 0.000 0.243 153 A C -1.549 176.052 177.584 0.028 0.000 1.082 153 A CA -0.697 51.400 52.037 0.100 0.000 0.786 153 A CB -0.150 18.885 19.000 0.059 0.000 1.029 153 A HN 0.551 8.701 8.150 0.000 0.000 0.495 154 P HA 0.414 4.834 4.420 0.000 0.000 0.275 154 P C -1.207 175.921 177.300 -0.286 0.000 1.266 154 P CA 0.375 63.314 63.100 -0.268 0.000 0.793 154 P CB 0.305 31.752 31.700 -0.421 0.000 1.074 155 Y N -4.292 115.705 120.300 -0.506 0.000 2.624 155 Y HA 0.585 5.136 4.550 0.002 0.000 0.334 155 Y C -1.590 173.950 175.900 -0.599 0.000 1.155 155 Y CA -1.581 56.192 58.100 -0.546 0.000 1.046 155 Y CB 0.408 38.702 38.460 -0.276 0.000 1.316 155 Y HN 0.260 8.540 8.280 0.000 0.000 0.457 156 W N 1.921 123.221 121.300 -0.001 0.000 2.335 156 W HA 0.440 5.101 4.660 0.002 0.000 0.306 156 W C 1.040 177.562 176.519 0.006 0.000 1.216 156 W CA 0.048 57.328 57.345 -0.107 0.000 1.237 156 W CB 1.810 31.206 29.460 -0.108 0.000 1.243 156 W HN 0.817 8.997 8.180 0.000 0.000 0.493 157 T N -1.153 113.484 114.554 0.139 0.000 3.054 157 T HA -0.017 4.335 4.350 0.002 0.000 0.259 157 T C 0.309 175.075 174.700 0.111 0.000 1.092 157 T CA 0.383 62.568 62.100 0.141 0.000 1.121 157 T CB -0.087 68.811 68.868 0.049 0.000 0.912 157 T HN 0.370 8.610 8.240 0.000 0.000 0.489 158 N N -0.237 118.518 118.700 0.092 0.000 2.558 158 N HA 0.342 5.083 4.740 0.002 0.000 0.285 158 N C 0.154 175.675 175.510 0.018 0.000 1.112 158 N CA -0.314 52.768 53.050 0.052 0.000 0.857 158 N CB 1.630 40.139 38.487 0.037 0.000 1.376 158 N HN -0.113 8.267 8.380 0.000 0.000 0.526 159 T N 1.274 115.832 114.554 0.006 0.000 3.057 159 T HA -0.002 4.349 4.350 0.002 0.000 0.254 159 T C 1.333 176.001 174.700 -0.053 0.000 1.094 159 T CA 0.308 62.371 62.100 -0.061 0.000 1.088 159 T CB 0.002 68.852 68.868 -0.029 0.000 0.934 159 T HN 0.547 8.787 8.240 0.000 0.000 0.497 160 E N 1.539 121.730 120.200 -0.015 0.000 2.150 160 E HA -0.041 4.310 4.350 0.002 0.000 0.193 160 E C 0.495 177.099 176.600 0.007 0.000 0.985 160 E CA 0.858 57.256 56.400 -0.003 0.000 0.814 160 E CB 0.248 29.953 29.700 0.007 0.000 0.752 160 E HN 0.488 8.848 8.360 0.000 0.000 0.466 164 K N 2.594 123.081 120.400 0.145 0.000 2.166 164 K HA 0.178 4.499 4.320 0.002 0.000 0.273 164 K C 1.012 177.787 176.600 0.292 0.000 1.095 164 K CA -0.014 56.338 56.287 0.109 0.000 0.985 164 K CB 0.382 32.873 32.500 -0.016 0.000 1.172 164 K HN 0.073 8.323 8.250 0.000 0.000 0.401 165 R N 2.875 123.501 120.500 0.211 0.000 2.080 165 R HA 0.048 4.389 4.340 0.002 0.000 0.222 165 R C 0.263 176.745 176.300 0.303 0.000 1.107 165 R CA 0.482 56.706 56.100 0.207 0.000 0.980 165 R CB 0.123 30.391 30.300 -0.053 0.000 0.879 165 R HN 0.511 8.781 8.270 0.000 0.000 0.439 166 L N 2.032 123.390 121.223 0.225 0.000 2.260 166 L HA 0.193 4.534 4.340 0.002 0.000 0.289 166 L C -1.227 175.770 176.870 0.213 0.000 1.057 166 L CA 0.036 55.041 54.840 0.274 0.000 0.811 166 L CB 0.922 43.104 42.059 0.206 0.000 1.184 166 L HN 0.157 8.387 8.230 0.000 0.000 0.429 167 H N 5.649 124.868 119.070 0.248 0.000 2.641 167 H HA 0.564 5.121 4.556 0.002 0.000 0.295 167 H C -0.628 174.782 175.328 0.136 0.000 1.070 167 H CA -0.510 55.651 56.048 0.188 0.000 1.257 167 H CB 1.241 31.145 29.762 0.237 0.000 1.393 167 H HN 0.782 9.062 8.280 0.000 0.000 0.464 168 A N 4.315 127.220 122.820 0.142 0.000 2.267 168 A HA 0.515 4.836 4.320 0.002 0.000 0.315 168 A C -0.047 177.574 177.584 0.063 0.000 1.297 168 A CA -0.640 51.458 52.037 0.102 0.000 0.865 168 A CB 0.405 19.451 19.000 0.077 0.000 1.165 168 A HN 0.477 8.627 8.150 0.000 0.000 0.513 169 V N 0.264 120.212 119.914 0.058 0.000 3.007 169 V HA 0.824 4.945 4.120 0.002 0.000 0.311 169 V C -3.158 172.952 176.094 0.026 0.000 1.120 169 V CA -2.675 59.642 62.300 0.029 0.000 0.980 169 V CB 1.797 33.626 31.823 0.011 0.000 1.033 169 V HN 0.568 8.758 8.190 0.000 0.000 0.429 170 P HA 0.357 4.777 4.420 0.000 0.000 0.271 170 P C -0.120 177.188 177.300 0.014 0.000 1.233 170 P CA 0.226 63.336 63.100 0.017 0.000 0.789 170 P CB 0.362 32.068 31.700 0.009 0.000 0.951 171 A N 1.651 124.482 122.820 0.018 0.000 2.445 171 A HA 0.410 4.731 4.320 0.002 0.000 0.242 171 A C 1.146 178.734 177.584 0.007 0.000 1.075 171 A CA 0.607 52.654 52.037 0.016 0.000 0.777 171 A CB -1.333 17.681 19.000 0.023 0.000 1.013 171 A HN 0.812 8.962 8.150 0.000 0.000 0.493 172 A N 1.615 124.436 122.820 0.003 0.000 3.250 172 A HA -0.152 4.169 4.320 0.002 0.000 0.256 172 A C 0.369 177.944 177.584 -0.015 0.000 1.231 172 A CA 0.991 53.025 52.037 -0.004 0.000 1.193 172 A CB -2.567 16.432 19.000 -0.002 0.000 1.149 172 A HN 0.902 9.052 8.150 0.000 0.000 0.930 173 N N 0.170 118.858 118.700 -0.020 0.000 2.489 173 N HA 0.499 5.240 4.740 0.002 0.000 0.284 173 N C 0.289 175.765 175.510 -0.056 0.000 1.158 173 N CA 0.380 53.410 53.050 -0.033 0.000 0.965 173 N CB 1.047 39.518 38.487 -0.027 0.000 1.195 173 N HN 0.633 9.013 8.380 0.000 0.000 0.506 174 T N -1.813 112.700 114.554 -0.070 0.000 2.922 174 T HA 0.470 4.822 4.350 0.002 0.000 0.285 174 T C -0.244 174.361 174.700 -0.159 0.000 1.005 174 T CA -0.524 61.512 62.100 -0.106 0.000 1.061 174 T CB 1.026 69.837 68.868 -0.096 0.000 1.007 174 T HN 0.073 8.313 8.240 0.000 0.000 0.502 175 V N 2.556 122.314 119.914 -0.260 0.000 2.656 175 V HA 0.666 4.787 4.120 0.002 0.000 0.307 175 V C -0.413 175.329 176.094 -0.587 0.000 1.051 175 V CA -0.911 61.129 62.300 -0.434 0.000 0.893 175 V CB 2.100 33.594 31.823 -0.548 0.000 0.999 175 V HN 1.069 9.259 8.190 0.000 0.000 0.426 176 K N 4.588 124.630 120.400 -0.597 0.000 2.545 176 K HA 0.588 4.910 4.320 0.002 0.000 0.252 176 K C -1.738 174.512 176.600 -0.583 0.000 0.948 176 K CA -0.375 55.602 56.287 -0.518 0.000 0.827 176 K CB 1.197 33.567 32.500 -0.216 0.000 1.128 176 K HN 0.512 8.762 8.250 0.000 0.000 0.429 177 F N 3.504 123.162 119.950 -0.486 0.000 2.436 177 F HA 0.510 5.038 4.527 0.002 0.000 0.340 177 F C 0.401 176.130 175.800 -0.117 0.000 1.113 177 F CA -1.064 56.559 58.000 -0.629 0.000 1.022 177 F CB 1.654 40.224 39.000 -0.715 0.000 1.128 177 F HN 0.266 8.566 8.300 0.000 0.000 0.466 178 R N 1.758 122.366 120.500 0.181 0.000 2.664 178 R HA 0.663 5.004 4.340 0.002 0.000 0.286 178 R C -1.295 175.257 176.300 0.419 0.000 0.967 178 R CA -0.692 55.606 56.100 0.329 0.000 0.933 178 R CB 1.711 32.122 30.300 0.184 0.000 1.146 178 R HN 0.647 8.917 8.270 0.000 0.000 0.468 179 c N 2.542 121.376 118.600 0.390 0.000 3.236 179 c HA 0.233 4.804 4.570 0.002 0.000 0.208 179 c C -2.442 171.824 174.090 0.293 0.000 1.879 179 c CA -1.280 55.178 56.329 0.215 0.000 1.262 179 c CB 0.436 43.111 42.510 0.275 0.000 2.186 179 c HN 0.653 8.883 8.230 0.000 0.000 0.552 180 P HA 0.164 4.584 4.420 0.000 0.000 0.256 180 P C -0.093 177.030 177.300 -0.295 0.000 1.189 180 P CA 1.397 64.491 63.100 -0.011 0.000 0.808 180 P CB 0.546 32.277 31.700 0.052 0.000 0.793 181 A N 3.728 125.813 122.820 -1.226 0.000 2.322 181 A HA 0.888 5.210 4.320 0.002 0.000 0.327 181 A C 0.230 177.106 177.584 -1.180 0.000 1.134 181 A CA -0.341 50.932 52.037 -1.272 0.000 0.831 181 A CB 1.654 19.682 19.000 -1.620 0.000 1.288 181 A HN 0.530 8.680 8.150 0.000 0.000 0.472 182 G N -1.824 106.302 108.800 -1.124 0.000 2.798 182 G HA2 0.856 4.817 3.960 0.002 0.000 0.286 182 G HA3 0.856 4.817 3.960 0.002 0.000 0.286 182 G C -0.209 174.036 174.900 -1.091 0.000 1.389 182 G CA -0.298 44.176 45.100 -1.043 0.000 0.894 182 G HN 2.235 10.525 8.290 0.000 0.000 0.488 183 G N -0.658 107.832 108.800 -0.517 0.000 2.334 183 G HA2 0.397 4.358 3.960 0.002 0.000 0.566 183 G HA3 0.397 4.358 3.960 0.002 0.000 0.566 183 G C -1.909 173.014 174.900 0.038 0.000 1.413 183 G CA -0.439 44.596 45.100 -0.108 0.000 0.993 183 G HN 1.216 9.506 8.290 0.000 0.000 0.642 184 N N 0.888 119.650 118.700 0.105 0.000 2.478 184 N HA 0.625 5.366 4.740 0.002 0.000 0.291 184 N C -2.643 172.973 175.510 0.177 0.000 1.090 184 N CA -1.271 51.849 53.050 0.116 0.000 0.911 184 N CB 3.102 41.651 38.487 0.103 0.000 1.546 184 N HN 0.353 8.733 8.380 0.000 0.000 0.500 191 W N 4.803 126.239 121.300 0.227 0.000 2.632 191 W HA 0.596 5.258 4.660 0.002 0.000 0.328 191 W C -0.549 176.111 176.519 0.235 0.000 1.044 191 W CA -0.635 56.854 57.345 0.240 0.000 1.225 191 W CB 1.578 31.216 29.460 0.296 0.000 1.396 191 W HN 0.216 8.396 8.180 0.000 0.000 0.499 192 L N 2.989 124.438 121.223 0.377 0.000 2.342 192 L HA 0.582 4.923 4.340 0.002 0.000 0.271 192 L C -0.146 176.734 176.870 0.017 0.000 1.008 192 L CA -1.312 53.652 54.840 0.207 0.000 0.818 192 L CB 1.829 43.948 42.059 0.100 0.000 1.296 192 L HN 0.288 8.518 8.230 0.000 0.000 0.427 193 K N 2.268 122.582 120.400 -0.143 0.000 2.358 193 K HA 0.303 4.624 4.320 0.002 0.000 0.260 193 K C -0.400 175.993 176.600 -0.344 0.000 0.956 193 K CA -0.503 55.444 56.287 -0.567 0.000 0.834 193 K CB 0.741 32.848 32.500 -0.656 0.000 1.102 193 K HN 0.672 8.921 8.250 0.000 0.000 0.431 194 N N 3.219 121.682 118.700 -0.395 0.000 2.686 194 N HA -0.249 4.492 4.740 0.002 0.000 0.261 194 N C 0.447 175.888 175.510 -0.116 0.000 1.001 194 N CA 0.710 53.633 53.050 -0.213 0.000 0.764 194 N CB -0.910 37.472 38.487 -0.175 0.000 0.898 194 N HN 1.059 9.439 8.380 0.000 0.000 0.544 195 G N -1.049 107.697 108.800 -0.089 0.000 2.180 195 G HA2 -0.391 3.570 3.960 0.002 0.000 0.263 195 G HA3 -0.391 3.570 3.960 0.002 0.000 0.263 195 G C 0.040 174.942 174.900 0.003 0.000 0.989 195 G CA 1.206 46.286 45.100 -0.033 0.000 0.692 195 G HN 0.570 8.860 8.290 0.000 0.000 0.526 196 K N -0.383 120.029 120.400 0.019 0.000 2.400 196 K HA 0.464 4.785 4.320 0.002 0.000 0.246 196 K C 0.053 176.757 176.600 0.173 0.000 0.995 196 K CA -0.923 55.411 56.287 0.079 0.000 0.840 196 K CB 1.720 34.255 32.500 0.059 0.000 1.293 196 K HN 0.178 8.428 8.250 0.000 0.000 0.445 197 E N 1.481 121.807 120.200 0.210 0.000 2.558 197 E HA -0.093 4.258 4.350 0.002 0.000 0.255 197 E C -1.193 175.692 176.600 0.475 0.000 0.968 197 E CA 0.262 56.834 56.400 0.287 0.000 0.939 197 E CB 0.341 30.177 29.700 0.226 0.000 0.921 197 E HN 0.247 8.607 8.360 0.000 0.000 0.477 198 F N 6.046 126.167 119.950 0.286 0.000 2.293 198 F HA 0.288 4.816 4.527 0.001 0.000 0.370 198 F C -0.370 175.590 175.800 0.266 0.000 1.090 198 F CA -0.869 57.350 58.000 0.365 0.000 1.133 198 F CB 0.132 39.303 39.000 0.285 0.000 1.360 198 F HN 0.222 8.522 8.300 0.000 0.000 0.489 199 K N 3.663 123.899 120.400 -0.274 0.000 2.090 199 K HA 0.174 4.495 4.320 0.002 0.000 0.250 199 K C 1.080 177.416 176.600 -0.440 0.000 1.004 199 K CA -0.850 55.159 56.287 -0.464 0.000 0.919 199 K CB 0.933 33.015 32.500 -0.697 0.000 1.045 199 K HN 0.467 8.717 8.250 0.000 0.000 0.471 200 Q N 1.509 121.062 119.800 -0.412 0.000 2.096 200 Q HA -0.220 4.121 4.340 0.002 0.000 0.204 200 Q C 1.576 177.425 176.000 -0.251 0.000 0.982 200 Q CA 1.943 57.459 55.803 -0.479 0.000 0.850 200 Q CB -0.100 28.374 28.738 -0.441 0.000 0.901 200 Q HN 0.748 9.018 8.270 0.000 0.000 0.422 201 E N -1.252 118.831 120.200 -0.194 0.000 2.511 201 E HA -0.115 4.236 4.350 0.002 0.000 0.196 201 E C 1.009 177.658 176.600 0.081 0.000 1.066 201 E CA 0.455 56.819 56.400 -0.060 0.000 0.871 201 E CB -0.277 29.397 29.700 -0.043 0.000 0.863 201 E HN 0.533 8.893 8.360 0.000 0.000 0.520 202 H N 0.912 120.001 119.070 0.031 0.000 2.546 202 H HA 0.072 4.629 4.556 0.002 0.000 0.277 202 H C 0.503 175.923 175.328 0.154 0.000 1.004 202 H CA 0.428 56.546 56.048 0.117 0.000 1.231 202 H CB 0.199 30.088 29.762 0.213 0.000 1.382 202 H HN 0.180 8.460 8.280 0.000 0.000 0.580 203 R N 0.274 120.913 120.500 0.233 0.000 2.740 203 R HA 0.344 4.685 4.340 0.002 0.000 0.273 203 R C -1.311 175.049 176.300 0.101 0.000 0.998 203 R CA -0.856 55.357 56.100 0.188 0.000 0.900 203 R CB 1.369 31.818 30.300 0.248 0.000 1.223 203 R HN -0.072 8.198 8.270 0.000 0.000 0.466 204 I N 2.080 122.697 120.570 0.079 0.000 2.598 204 I HA 0.139 4.310 4.170 0.002 0.000 0.284 204 I C 1.115 177.249 176.117 0.028 0.000 1.140 204 I CA 1.416 62.741 61.300 0.042 0.000 1.420 204 I CB 0.911 38.934 38.000 0.040 0.000 1.387 204 I HN 1.151 9.361 8.210 0.000 0.000 0.553 205 G N 3.942 112.742 108.800 0.000 0.000 2.195 205 G HA2 -0.163 3.798 3.960 0.002 0.000 0.246 205 G HA3 -0.163 3.798 3.960 0.002 0.000 0.246 205 G C 0.770 175.647 174.900 -0.038 0.000 0.984 205 G CA 0.116 45.206 45.100 -0.015 0.000 0.633 205 G HN 1.453 9.743 8.290 0.000 0.000 0.525 206 G N -0.513 108.262 108.800 -0.042 0.000 2.574 206 G HA2 0.289 4.250 3.960 0.002 0.000 0.286 206 G HA3 0.289 4.250 3.960 0.002 0.000 0.286 206 G C 0.084 174.969 174.900 -0.025 0.000 1.212 206 G CA 1.484 46.509 45.100 -0.125 0.000 0.979 206 G HN 2.428 10.718 8.290 0.000 0.000 0.557 207 Y N -2.503 117.719 120.300 -0.129 0.000 2.662 207 Y HA 0.777 5.328 4.550 0.002 0.000 0.334 207 Y C -0.707 175.126 175.900 -0.112 0.000 1.185 207 Y CA -0.695 57.334 58.100 -0.119 0.000 1.074 207 Y CB 1.081 39.470 38.460 -0.118 0.000 1.330 207 Y HN 0.693 8.973 8.280 0.000 0.000 0.458 208 K N 2.277 122.750 120.400 0.122 0.000 2.339 208 K HA 0.710 5.031 4.320 0.002 0.000 0.264 208 K C -1.896 174.778 176.600 0.125 0.000 0.986 208 K CA -0.767 55.547 56.287 0.045 0.000 0.866 208 K CB 1.594 34.088 32.500 -0.010 0.000 1.103 208 K HN 0.691 8.941 8.250 0.000 0.000 0.441 209 V N 5.243 125.239 119.914 0.138 0.000 2.370 209 V HA 0.371 4.492 4.120 0.002 0.000 0.283 209 V C -0.473 175.682 176.094 0.101 0.000 1.023 209 V CA -0.801 61.608 62.300 0.181 0.000 0.857 209 V CB 1.313 33.314 31.823 0.297 0.000 0.985 209 V HN 0.690 8.880 8.190 0.000 0.000 0.443 210 R N 3.299 123.864 120.500 0.108 0.000 2.335 210 R HA 0.320 4.661 4.340 0.002 0.000 0.302 210 R C -0.104 176.206 176.300 0.016 0.000 1.147 210 R CA -0.373 55.751 56.100 0.040 0.000 1.111 210 R CB 0.022 30.331 30.300 0.015 0.000 1.122 210 R HN 0.807 9.077 8.270 0.000 0.000 0.557 211 N N 1.360 120.011 118.700 -0.082 0.000 3.303 211 N HA 0.060 4.801 4.740 0.002 0.000 0.304 211 N C -0.147 175.076 175.510 -0.478 0.000 1.302 211 N CA -0.311 52.536 53.050 -0.338 0.000 1.213 211 N CB 0.731 39.053 38.487 -0.275 0.000 1.481 211 N HN 0.444 8.824 8.380 0.000 0.000 0.546 212 Q N -1.190 118.381 119.800 -0.382 0.000 2.288 212 Q HA 0.149 4.490 4.340 0.002 0.000 0.213 212 Q C 0.467 176.461 176.000 -0.010 0.000 0.724 212 Q CA 0.037 55.715 55.803 -0.209 0.000 0.902 212 Q CB 0.045 28.732 28.738 -0.085 0.000 1.286 212 Q HN 0.393 8.663 8.270 0.000 0.000 0.458 213 H N -1.515 117.496 119.070 -0.099 0.000 2.740 213 H HA 0.147 4.704 4.556 0.002 0.000 0.265 213 H C -0.871 174.635 175.328 0.295 0.000 0.978 213 H CA -0.267 55.844 56.048 0.106 0.000 1.198 213 H CB 0.310 30.127 29.762 0.093 0.000 1.467 213 H HN 0.180 8.460 8.280 0.000 0.000 0.511 214 W N 1.397 122.854 121.300 0.261 0.000 5.721 214 W HA -0.219 4.442 4.660 0.001 0.000 0.406 214 W C -0.065 176.676 176.519 0.370 0.000 1.576 214 W CA 0.637 58.145 57.345 0.271 0.000 0.977 214 W CB -2.365 27.219 29.460 0.206 0.000 2.771 214 W HN 0.219 8.399 8.180 0.000 0.000 1.435 215 S N -0.896 115.113 115.700 0.514 0.000 2.661 215 S HA 0.876 5.347 4.470 0.002 0.000 0.285 215 S C -1.174 173.591 174.600 0.276 0.000 1.138 215 S CA -1.367 57.098 58.200 0.443 0.000 0.855 215 S CB 2.671 66.037 63.200 0.276 0.000 1.136 215 S HN 0.516 8.826 8.310 0.000 0.000 0.484 216 L N 1.203 122.374 121.223 -0.086 0.000 2.376 216 L HA 0.745 5.086 4.340 0.002 0.000 0.275 216 L C -1.434 175.205 176.870 -0.385 0.000 0.987 216 L CA -0.481 54.071 54.840 -0.480 0.000 0.828 216 L CB 0.759 41.942 42.059 -1.459 0.000 1.249 216 L HN 0.893 9.123 8.230 0.000 0.000 0.409 220 S N -0.246 115.436 115.700 -0.029 0.000 3.682 220 S HA -0.144 4.327 4.470 0.002 0.000 0.354 220 S C 0.131 174.730 174.600 -0.002 0.000 1.034 220 S CA 0.453 58.646 58.200 -0.012 0.000 1.084 220 S CB -1.112 62.086 63.200 -0.003 0.000 0.903 220 S HN 0.407 8.717 8.310 0.000 0.000 0.470 221 V N 1.593 121.498 119.914 -0.014 0.000 2.720 221 V HA 0.186 4.307 4.120 0.002 0.000 0.307 221 V C 0.709 176.816 176.094 0.022 0.000 1.071 221 V CA 1.125 63.424 62.300 -0.001 0.000 1.199 221 V CB 0.833 32.638 31.823 -0.030 0.000 0.900 221 V HN 0.579 8.769 8.190 0.000 0.000 0.494 222 V N 4.111 124.051 119.914 0.043 0.000 3.130 222 V HA 0.598 4.719 4.120 0.002 0.000 0.310 222 V C -1.967 174.163 176.094 0.061 0.000 1.158 222 V CA -1.603 60.725 62.300 0.048 0.000 1.029 222 V CB 1.596 33.447 31.823 0.047 0.000 1.057 222 V HN 0.538 8.728 8.190 0.000 0.000 0.436 223 P HA -0.169 4.251 4.420 0.000 0.000 0.217 223 P C 1.658 178.997 177.300 0.066 0.000 1.148 223 P CA 2.405 65.539 63.100 0.057 0.000 0.828 223 P CB -0.095 31.633 31.700 0.046 0.000 0.783 224 S N -1.383 114.358 115.700 0.069 0.000 2.547 224 S HA -0.099 4.372 4.470 0.002 0.000 0.235 224 S C 1.341 176.004 174.600 0.106 0.000 0.980 224 S CA 0.881 59.126 58.200 0.075 0.000 0.941 224 S CB -0.864 62.380 63.200 0.073 0.000 0.763 224 S HN 0.110 8.420 8.310 0.000 0.000 0.532 225 D N 0.963 121.442 120.400 0.131 0.000 2.348 225 D HA 0.095 4.736 4.640 0.002 0.000 0.211 225 D C 0.764 177.198 176.300 0.223 0.000 0.998 225 D CA 0.263 54.382 54.000 0.199 0.000 0.873 225 D CB -0.100 40.809 40.800 0.180 0.000 0.925 225 D HN 0.340 8.710 8.370 0.000 0.000 0.524 226 K N 1.345 121.834 120.400 0.149 0.000 2.561 226 K HA 0.210 4.531 4.320 0.002 0.000 0.280 226 K C 0.523 177.188 176.600 0.108 0.000 0.975 226 K CA 0.866 57.239 56.287 0.143 0.000 1.024 226 K CB 0.393 32.946 32.500 0.089 0.000 0.883 226 K HN 0.237 8.487 8.250 0.000 0.000 0.496 227 G N 2.343 111.215 108.800 0.119 0.000 2.357 227 G HA2 -0.084 3.877 3.960 0.002 0.000 0.289 227 G HA3 -0.084 3.877 3.960 0.002 0.000 0.289 227 G C -1.623 173.264 174.900 -0.021 0.000 1.302 227 G CA -0.897 44.188 45.100 -0.024 0.000 0.936 227 G HN 0.568 8.858 8.290 0.000 0.000 0.513 228 N N -0.103 118.488 118.700 -0.181 0.000 2.438 228 N HA 0.605 5.346 4.740 0.002 0.000 0.282 228 N C -1.465 173.776 175.510 -0.449 0.000 1.037 228 N CA -0.056 52.921 53.050 -0.122 0.000 0.942 228 N CB 1.159 39.632 38.487 -0.022 0.000 1.136 228 N HN 0.423 8.803 8.380 0.000 0.000 0.481 229 Y N 0.176 120.392 120.300 -0.139 0.000 2.328 229 Y HA 0.314 4.865 4.550 0.002 0.000 0.333 229 Y C 0.290 176.207 175.900 0.028 0.000 0.958 229 Y CA -0.582 57.460 58.100 -0.097 0.000 1.167 229 Y CB 1.594 39.916 38.460 -0.231 0.000 1.151 229 Y HN 0.243 8.523 8.280 0.000 0.000 0.470 230 T N 3.285 117.958 114.554 0.198 0.000 2.779 230 T HA 0.338 4.689 4.350 0.002 0.000 0.280 230 T C -0.537 174.152 174.700 -0.018 0.000 0.987 230 T CA -0.678 61.463 62.100 0.069 0.000 0.966 230 T CB 0.037 68.898 68.868 -0.011 0.000 0.933 230 T HN 0.764 9.004 8.240 0.000 0.000 0.442 231 c N 3.162 121.574 118.600 -0.314 0.000 2.285 231 c HA 0.805 5.376 4.570 0.002 0.000 0.335 231 c C 0.599 174.536 174.090 -0.255 0.000 1.267 231 c CA -1.244 54.620 56.329 -0.775 0.000 1.762 231 c CB -0.990 40.876 42.510 -1.074 0.000 2.365 231 c HN 0.770 9.000 8.230 0.000 0.000 0.527 232 V N 4.666 124.451 119.914 -0.214 0.000 2.328 232 V HA 0.747 4.868 4.120 0.002 0.000 0.278 232 V C -0.494 175.569 176.094 -0.052 0.000 1.021 232 V CA -0.042 62.217 62.300 -0.068 0.000 0.838 232 V CB 0.952 32.757 31.823 -0.030 0.000 0.999 232 V HN 0.821 9.011 8.190 0.000 0.000 0.447 233 V N 7.391 127.283 119.914 -0.038 0.000 2.384 233 V HA 0.693 4.814 4.120 0.002 0.000 0.287 233 V C -0.012 176.031 176.094 -0.085 0.000 1.020 233 V CA -0.139 62.137 62.300 -0.040 0.000 0.850 233 V CB 1.291 33.028 31.823 -0.143 0.000 0.987 233 V HN 1.139 9.329 8.190 0.000 0.000 0.436 234 E N 4.584 124.771 120.200 -0.022 0.000 2.412 234 E HA 0.534 4.885 4.350 0.002 0.000 0.279 234 E C -1.456 175.139 176.600 -0.010 0.000 0.984 234 E CA -0.987 55.391 56.400 -0.037 0.000 0.788 234 E CB 2.504 32.185 29.700 -0.032 0.000 1.277 234 E HN 0.713 9.073 8.360 0.000 0.000 0.455 235 N N -0.505 118.180 118.700 -0.026 0.000 3.343 235 N HA 0.165 4.906 4.740 0.002 0.000 0.330 235 N C 0.469 175.918 175.510 -0.101 0.000 1.560 235 N CA -0.683 52.347 53.050 -0.034 0.000 0.752 235 N CB 1.261 39.752 38.487 0.007 0.000 1.863 235 N HN 0.646 9.026 8.380 0.000 0.000 0.636 236 E N -0.579 119.485 120.200 -0.227 0.000 2.338 236 E HA -0.173 4.178 4.350 0.002 0.000 0.197 236 E C 0.304 176.623 176.600 -0.468 0.000 1.007 236 E CA 1.249 57.406 56.400 -0.405 0.000 0.849 236 E CB -0.414 28.921 29.700 -0.609 0.000 0.774 236 E HN 0.605 8.965 8.360 0.000 0.000 0.506 237 Y N 0.777 121.069 120.300 -0.015 0.000 2.458 237 Y HA 0.420 4.971 4.550 0.002 0.000 0.256 237 Y C 1.047 176.930 175.900 -0.028 0.000 1.159 237 Y CA 0.199 58.288 58.100 -0.018 0.000 1.261 237 Y CB 1.536 39.987 38.460 -0.014 0.000 1.119 237 Y HN 0.157 8.437 8.280 0.000 0.000 0.524 238 G N -1.050 107.789 108.800 0.065 0.000 2.328 238 G HA2 0.380 4.342 3.960 0.002 0.000 0.295 238 G HA3 0.380 4.342 3.960 0.002 0.000 0.295 238 G C -1.679 173.202 174.900 -0.031 0.000 1.413 238 G CA -0.719 44.391 45.100 0.017 0.000 0.817 238 G HN -0.113 8.177 8.290 0.000 0.000 0.546 239 S N -0.397 115.276 115.700 -0.045 0.000 2.672 239 S HA 0.702 5.173 4.470 0.002 0.000 0.291 239 S C 0.005 174.555 174.600 -0.084 0.000 1.145 239 S CA -0.594 57.566 58.200 -0.066 0.000 1.013 239 S CB 0.217 63.396 63.200 -0.035 0.000 1.017 239 S HN 1.170 9.480 8.310 0.000 0.000 0.487 240 I N 2.280 122.756 120.570 -0.158 0.000 3.501 240 I HA 0.847 5.019 4.170 0.002 0.000 0.297 240 I C -0.396 175.740 176.117 0.032 0.000 1.199 240 I CA -1.137 60.080 61.300 -0.140 0.000 0.987 240 I CB 1.577 39.292 38.000 -0.475 0.000 1.365 240 I HN 0.773 8.983 8.210 0.000 0.000 0.574 241 N N -0.562 118.326 118.700 0.314 0.000 3.545 241 N HA 0.417 5.158 4.740 0.002 0.000 0.227 241 N C -1.544 174.180 175.510 0.357 0.000 1.380 241 N CA -0.797 52.463 53.050 0.349 0.000 0.892 241 N CB 0.842 39.394 38.487 0.108 0.000 1.441 241 N HN 0.960 9.340 8.380 0.000 0.000 0.497 242 H N -1.258 117.795 119.070 -0.028 0.000 3.012 242 H HA 0.775 5.332 4.556 0.002 0.000 0.367 242 H C -1.547 173.594 175.328 -0.312 0.000 1.211 242 H CA -0.093 55.779 56.048 -0.294 0.000 1.139 242 H CB 1.962 31.351 29.762 -0.620 0.000 1.838 242 H HN 0.882 9.162 8.280 0.000 0.000 0.550 243 T N 1.409 115.472 114.554 -0.818 0.000 2.879 243 T HA 0.494 4.845 4.350 0.002 0.000 0.290 243 T C -1.215 172.941 174.700 -0.907 0.000 0.993 243 T CA -0.706 61.040 62.100 -0.590 0.000 0.975 243 T CB 0.597 69.247 68.868 -0.364 0.000 0.981 243 T HN 0.343 8.583 8.240 0.000 0.000 0.439 244 Y N 1.039 121.012 120.300 -0.545 0.000 2.488 244 Y HA 0.544 5.095 4.550 0.002 0.000 0.325 244 Y C 0.797 176.420 175.900 -0.463 0.000 1.204 244 Y CA -0.872 56.850 58.100 -0.629 0.000 1.229 244 Y CB 1.231 39.085 38.460 -1.009 0.000 1.274 244 Y HN 0.651 8.931 8.280 0.000 0.000 0.493 245 H N 2.511 121.655 119.070 0.122 0.000 2.539 245 H HA 0.274 4.831 4.556 0.002 0.000 0.332 245 H C -0.953 174.543 175.328 0.281 0.000 1.031 245 H CA -0.720 55.413 56.048 0.140 0.000 1.206 245 H CB 1.704 31.521 29.762 0.093 0.000 1.446 245 H HN 0.384 8.664 8.280 0.000 0.000 0.496 246 L N 3.458 124.946 121.223 0.441 0.000 2.272 246 L HA 0.291 4.633 4.340 0.002 0.000 0.289 246 L C -0.555 176.478 176.870 0.272 0.000 1.032 246 L CA -0.205 54.890 54.840 0.425 0.000 0.810 246 L CB 1.130 43.488 42.059 0.498 0.000 1.205 246 L HN 0.555 8.785 8.230 0.000 0.000 0.422 247 D N 4.252 124.786 120.400 0.222 0.000 2.440 247 D HA 0.291 4.932 4.640 0.002 0.000 0.239 247 D C -0.892 175.476 176.300 0.113 0.000 1.084 247 D CA -0.182 53.906 54.000 0.146 0.000 0.843 247 D CB 1.977 42.853 40.800 0.127 0.000 1.097 247 D HN 0.232 8.602 8.370 0.000 0.000 0.531 248 V N 4.405 124.375 119.914 0.092 0.000 2.350 248 V HA 0.296 4.417 4.120 0.002 0.000 0.276 248 V C 0.308 176.436 176.094 0.057 0.000 1.028 248 V CA -0.765 61.576 62.300 0.068 0.000 0.860 248 V CB 1.468 33.330 31.823 0.065 0.000 0.990 248 V HN 0.310 8.500 8.190 0.000 0.000 0.453 249 V N 4.780 124.723 119.914 0.049 0.000 2.481 249 V HA 0.416 4.537 4.120 0.002 0.000 0.286 249 V C 0.067 176.185 176.094 0.041 0.000 1.042 249 V CA -0.734 61.593 62.300 0.045 0.000 0.928 249 V CB 1.497 33.344 31.823 0.040 0.000 0.986 249 V HN 0.914 9.104 8.190 0.000 0.000 0.462 250 E N 4.647 124.875 120.200 0.047 0.000 2.133 250 E HA 0.533 4.884 4.350 0.002 0.000 0.274 250 E C -0.797 175.837 176.600 0.057 0.000 0.930 250 E CA -0.823 55.607 56.400 0.049 0.000 0.770 250 E CB 1.609 31.340 29.700 0.052 0.000 1.104 250 E HN 0.439 8.799 8.360 0.000 0.000 0.403 251 R N 1.182 121.711 120.500 0.048 0.000 2.604 251 R HA 0.410 4.751 4.340 0.002 0.000 0.287 251 R C -0.302 176.035 176.300 0.061 0.000 0.970 251 R CA -0.781 55.349 56.100 0.051 0.000 0.946 251 R CB 1.693 32.007 30.300 0.023 0.000 1.127 251 R HN 0.577 8.847 8.270 0.000 0.000 0.473 252 S N 1.130 116.887 115.700 0.094 0.000 2.399 252 S HA 0.365 4.836 4.470 0.002 0.000 0.215 252 S C -2.390 172.222 174.600 0.020 0.000 1.456 252 S CA -1.436 56.846 58.200 0.136 0.000 1.199 252 S CB 1.079 64.505 63.200 0.376 0.000 1.063 252 S HN 0.266 8.576 8.310 0.000 0.000 0.476 253 P HA 0.312 4.732 4.420 0.000 0.000 0.256 253 P C -0.678 176.408 177.300 -0.357 0.000 1.688 253 P CA 0.280 63.263 63.100 -0.195 0.000 1.162 253 P CB -0.420 31.179 31.700 -0.169 0.000 1.870 254 H N 1.282 120.374 119.070 0.038 0.000 2.946 254 H HA 0.336 4.893 4.556 0.002 0.000 0.365 254 H C 0.703 176.051 175.328 0.033 0.000 1.197 254 H CA -0.892 55.178 56.048 0.037 0.000 1.131 254 H CB 2.124 31.915 29.762 0.049 0.000 1.849 254 H HN 0.293 8.573 8.280 0.000 0.000 0.555 255 R N 0.819 121.426 120.500 0.177 0.000 2.774 255 R HA 0.274 4.615 4.340 0.002 0.000 0.269 255 R C -2.680 173.677 176.300 0.095 0.000 1.068 255 R CA -1.441 54.718 56.100 0.098 0.000 1.180 255 R CB -0.607 29.739 30.300 0.076 0.000 1.077 255 R HN 0.141 8.411 8.270 0.000 0.000 0.513 256 P HA 0.017 4.437 4.420 0.000 0.000 0.266 256 P C -0.696 176.613 177.300 0.014 0.000 1.195 256 P CA 0.305 63.423 63.100 0.030 0.000 0.768 256 P CB 0.404 32.094 31.700 -0.018 0.000 0.838 257 I N 3.680 124.275 120.570 0.043 0.000 2.312 257 I HA 0.176 4.347 4.170 0.002 0.000 0.290 257 I C -0.151 175.940 176.117 -0.044 0.000 1.008 257 I CA -0.715 60.587 61.300 0.003 0.000 1.226 257 I CB 0.765 38.781 38.000 0.028 0.000 1.371 257 I HN 0.082 8.292 8.210 0.000 0.000 0.468 258 L N 6.237 127.348 121.223 -0.187 0.000 2.312 258 L HA 0.281 4.622 4.340 0.002 0.000 0.281 258 L C 0.425 177.254 176.870 -0.068 0.000 1.070 258 L CA 0.068 54.732 54.840 -0.293 0.000 0.805 258 L CB 0.923 42.505 42.059 -0.795 0.000 1.174 258 L HN 0.545 8.775 8.230 0.000 0.000 0.434 259 Q N 2.106 121.919 119.800 0.022 0.000 2.286 259 Q HA 0.269 4.610 4.340 0.002 0.000 0.290 259 Q C -0.048 176.066 176.000 0.189 0.000 1.049 259 Q CA -0.238 55.620 55.803 0.091 0.000 0.923 259 Q CB 0.659 29.443 28.738 0.077 0.000 1.183 259 Q HN 0.780 9.050 8.270 0.000 0.000 0.383 260 A N 3.392 126.298 122.820 0.145 0.000 2.584 260 A HA 0.309 4.630 4.320 0.002 0.000 0.239 260 A C 1.222 178.856 177.584 0.084 0.000 1.043 260 A CA 0.752 52.857 52.037 0.113 0.000 0.756 260 A CB -0.641 18.387 19.000 0.046 0.000 0.963 260 A HN 1.350 9.500 8.150 0.000 0.000 0.511 261 G N 0.940 109.755 108.800 0.025 0.000 2.162 261 G HA2 -0.207 3.754 3.960 0.002 0.000 0.260 261 G HA3 -0.207 3.754 3.960 0.002 0.000 0.260 261 G C -0.063 174.896 174.900 0.098 0.000 0.976 261 G CA 0.593 45.707 45.100 0.023 0.000 0.655 261 G HN 0.987 9.277 8.290 0.000 0.000 0.533 262 L N 1.525 122.862 121.223 0.190 0.000 2.362 262 L HA 0.512 4.853 4.340 0.002 0.000 0.275 262 L C -2.068 174.996 176.870 0.325 0.000 0.998 262 L CA -2.442 52.539 54.840 0.235 0.000 0.820 262 L CB 2.632 44.806 42.059 0.191 0.000 1.270 262 L HN -0.104 8.126 8.230 0.000 0.000 0.415 263 P HA 0.240 4.660 4.420 0.000 0.000 0.277 263 P C -1.008 176.484 177.300 0.321 0.000 1.240 263 P CA -0.417 62.920 63.100 0.396 0.000 0.798 263 P CB 1.443 33.512 31.700 0.614 0.000 0.979 264 A N 2.674 125.676 122.820 0.303 0.000 2.304 264 A HA 0.327 4.648 4.320 0.002 0.000 0.301 264 A C 0.297 178.073 177.584 0.320 0.000 1.132 264 A CA -0.744 51.429 52.037 0.227 0.000 0.819 264 A CB -0.364 18.709 19.000 0.123 0.000 1.094 264 A HN 0.597 8.747 8.150 0.000 0.000 0.492 265 N N -0.206 118.658 118.700 0.274 0.000 2.344 265 N HA 0.401 5.142 4.740 0.002 0.000 0.236 265 N C -0.080 175.564 175.510 0.223 0.000 1.279 265 N CA 0.686 53.936 53.050 0.333 0.000 0.882 265 N CB 0.505 39.151 38.487 0.266 0.000 1.110 265 N HN 0.882 9.262 8.380 0.000 0.000 0.436 266 A N 0.378 123.333 122.820 0.225 0.000 2.556 266 A HA 0.706 5.027 4.320 0.002 0.000 0.294 266 A C -1.138 176.493 177.584 0.078 0.000 1.091 266 A CA -0.612 51.441 52.037 0.027 0.000 0.704 266 A CB 1.718 20.558 19.000 -0.266 0.000 1.300 266 A HN 0.465 8.615 8.150 0.000 0.000 0.406 267 S N -0.378 115.336 115.700 0.022 0.000 2.536 267 S HA 0.894 5.365 4.470 0.002 0.000 0.287 267 S C -0.640 173.955 174.600 -0.009 0.000 1.101 267 S CA -0.435 57.790 58.200 0.042 0.000 0.950 267 S CB 1.936 65.172 63.200 0.060 0.000 1.056 267 S HN 1.106 9.416 8.310 0.000 0.000 0.481 268 T N 1.150 115.698 114.554 -0.009 0.000 2.840 268 T HA 0.468 4.819 4.350 0.002 0.000 0.317 268 T C -1.170 173.500 174.700 -0.050 0.000 1.401 268 T CA -0.359 61.716 62.100 -0.041 0.000 1.028 268 T CB 1.070 69.895 68.868 -0.071 0.000 1.317 268 T HN 0.327 8.567 8.240 0.000 0.000 0.495 269 V N 3.110 122.990 119.914 -0.056 0.000 2.775 269 V HA 0.333 4.454 4.120 0.002 0.000 0.299 269 V C 1.137 177.150 176.094 -0.134 0.000 1.062 269 V CA -0.331 61.927 62.300 -0.070 0.000 1.063 269 V CB 1.526 33.322 31.823 -0.045 0.000 0.994 269 V HN 0.775 8.965 8.190 0.000 0.000 0.483 270 V N 5.406 125.189 119.914 -0.219 0.000 2.814 270 V HA 0.403 4.524 4.120 0.002 0.000 0.307 270 V C 1.379 177.373 176.094 -0.167 0.000 1.089 270 V CA 1.310 63.423 62.300 -0.310 0.000 1.212 270 V CB 0.297 31.803 31.823 -0.528 0.000 0.912 270 V HN 1.517 9.707 8.190 0.000 0.000 0.497 271 G N 3.504 112.219 108.800 -0.141 0.000 2.225 271 G HA2 -0.160 3.801 3.960 0.002 0.000 0.254 271 G HA3 -0.160 3.801 3.960 0.002 0.000 0.254 271 G C 0.718 175.572 174.900 -0.076 0.000 0.988 271 G CA 0.326 45.373 45.100 -0.088 0.000 0.625 271 G HN 1.774 10.064 8.290 0.000 0.000 0.527 272 G N -0.633 108.117 108.800 -0.084 0.000 2.543 272 G HA2 0.535 4.496 3.960 0.002 0.000 0.290 272 G HA3 0.535 4.496 3.960 0.002 0.000 0.290 272 G C -0.719 174.136 174.900 -0.075 0.000 1.310 272 G CA 0.152 45.209 45.100 -0.072 0.000 1.025 272 G HN 0.265 8.555 8.290 0.000 0.000 0.502 273 D N -0.849 119.506 120.400 -0.075 0.000 2.340 273 D HA 0.513 5.154 4.640 0.002 0.000 0.240 273 D C 0.006 176.242 176.300 -0.106 0.000 1.001 273 D CA -0.100 53.854 54.000 -0.078 0.000 0.888 273 D CB 2.250 43.012 40.800 -0.064 0.000 1.310 273 D HN 0.399 8.769 8.370 0.000 0.000 0.474 274 V N -1.966 117.865 119.914 -0.139 0.000 3.160 274 V HA 0.803 4.925 4.120 0.002 0.000 0.310 274 V C -0.898 175.009 176.094 -0.312 0.000 1.181 274 V CA -1.027 61.117 62.300 -0.260 0.000 1.047 274 V CB 2.339 33.939 31.823 -0.371 0.000 1.068 274 V HN 0.736 8.926 8.190 0.000 0.000 0.441 275 E N 0.564 120.443 120.200 -0.535 0.000 2.383 275 E HA 0.711 5.062 4.350 0.002 0.000 0.275 275 E C -2.170 173.851 176.600 -0.966 0.000 0.918 275 E CA -0.824 55.228 56.400 -0.580 0.000 0.764 275 E CB 2.717 32.198 29.700 -0.365 0.000 1.252 275 E HN 0.562 8.922 8.360 0.000 0.000 0.449 276 F N 1.109 120.798 119.950 -0.435 0.000 2.539 276 F HA 0.455 4.984 4.527 0.002 0.000 0.318 276 F C -0.682 174.988 175.800 -0.216 0.000 1.135 276 F CA -0.925 56.878 58.000 -0.328 0.000 0.915 276 F CB 2.342 41.051 39.000 -0.484 0.000 1.176 276 F HN 0.251 8.551 8.300 0.000 0.000 0.440 277 V N 2.480 122.548 119.914 0.256 0.000 2.581 277 V HA 0.536 4.657 4.120 0.002 0.000 0.303 277 V C -0.898 175.472 176.094 0.460 0.000 1.041 277 V CA -0.773 61.701 62.300 0.290 0.000 0.907 277 V CB 1.983 33.877 31.823 0.118 0.000 0.994 277 V HN 0.918 9.108 8.190 0.000 0.000 0.442 278 c N 5.242 124.079 118.600 0.395 0.000 2.551 278 c HA 0.640 5.211 4.570 0.002 0.000 0.332 278 c C -0.652 173.485 174.090 0.078 0.000 1.139 278 c CA -0.863 55.559 56.329 0.154 0.000 1.328 278 c CB 0.873 43.285 42.510 -0.163 0.000 1.903 278 c HN 0.990 9.220 8.230 0.000 0.000 0.459 279 K N 4.527 124.952 120.400 0.041 0.000 2.426 279 K HA 0.741 5.062 4.320 0.002 0.000 0.254 279 K C -1.208 175.393 176.600 0.001 0.000 0.936 279 K CA -0.482 55.825 56.287 0.033 0.000 0.801 279 K CB 2.161 34.697 32.500 0.060 0.000 1.139 279 K HN 0.494 8.744 8.250 0.000 0.000 0.424 280 V N 3.179 123.088 119.914 -0.008 0.000 2.628 280 V HA 0.350 4.472 4.120 0.002 0.000 0.306 280 V C -1.260 174.849 176.094 0.025 0.000 1.045 280 V CA -0.928 61.362 62.300 -0.017 0.000 0.905 280 V CB 1.455 33.233 31.823 -0.074 0.000 0.997 280 V HN 0.653 8.843 8.190 0.000 0.000 0.436 281 Y N 2.747 123.023 120.300 -0.041 0.000 2.328 281 Y HA 0.711 5.262 4.550 0.002 0.000 0.336 281 Y C -0.050 175.842 175.900 -0.013 0.000 0.960 281 Y CA 0.030 58.117 58.100 -0.021 0.000 1.134 281 Y CB 1.777 40.225 38.460 -0.021 0.000 1.166 281 Y HN 0.655 8.935 8.280 0.000 0.000 0.464 282 S N 4.556 119.943 115.700 -0.522 0.000 2.563 282 S HA 0.159 4.630 4.470 0.002 0.000 0.279 282 S C -0.390 174.050 174.600 -0.267 0.000 1.155 282 S CA -0.701 57.362 58.200 -0.228 0.000 0.928 282 S CB 1.109 64.246 63.200 -0.104 0.000 1.107 282 S HN 0.901 9.211 8.310 0.000 0.000 0.462 283 D N 3.138 123.479 120.400 -0.098 0.000 2.107 283 D HA 0.223 4.864 4.640 0.002 0.000 0.204 283 D C 1.048 177.320 176.300 -0.046 0.000 0.978 283 D CA 1.297 55.263 54.000 -0.056 0.000 0.852 283 D CB -0.294 40.522 40.800 0.026 0.000 1.008 283 D HN 0.797 9.167 8.370 0.000 0.000 0.458 284 A N 0.509 123.317 122.820 -0.020 0.000 2.520 284 A HA 0.103 4.424 4.320 0.002 0.000 0.235 284 A C 0.253 177.820 177.584 -0.029 0.000 1.065 284 A CA -0.009 52.017 52.037 -0.018 0.000 0.764 284 A CB 0.031 19.027 19.000 -0.007 0.000 1.002 284 A HN 0.300 8.450 8.150 0.000 0.000 0.502 285 Q N 2.052 121.839 119.800 -0.022 0.000 2.271 285 Q HA 0.345 4.686 4.340 0.002 0.000 0.273 285 Q C -2.198 173.799 176.000 -0.005 0.000 1.051 285 Q CA -0.823 54.968 55.803 -0.020 0.000 0.901 285 Q CB 0.553 29.285 28.738 -0.010 0.000 1.174 285 Q HN 0.560 8.830 8.270 0.000 0.000 0.385 286 P HA 0.167 4.587 4.420 0.000 0.000 0.285 286 P C -1.489 175.839 177.300 0.047 0.000 1.269 286 P CA -0.428 62.673 63.100 0.002 0.000 0.844 286 P CB 1.051 32.727 31.700 -0.040 0.000 1.094 287 H N 1.938 120.981 119.070 -0.046 0.000 2.638 287 H HA 0.461 5.019 4.556 0.002 0.000 0.317 287 H C -0.958 174.333 175.328 -0.061 0.000 1.006 287 H CA -0.703 55.319 56.048 -0.044 0.000 1.222 287 H CB 0.491 30.230 29.762 -0.038 0.000 1.419 287 H HN 0.249 8.529 8.280 0.000 0.000 0.489 288 I N 5.363 125.615 120.570 -0.529 0.000 2.412 288 I HA 0.205 4.377 4.170 0.002 0.000 0.296 288 I C -0.243 175.564 176.117 -0.517 0.000 0.987 288 I CA -0.337 60.693 61.300 -0.450 0.000 1.180 288 I CB 1.751 39.583 38.000 -0.280 0.000 1.340 288 I HN 0.613 8.823 8.210 0.000 0.000 0.455 289 Q N 4.545 124.098 119.800 -0.411 0.000 2.482 289 Q HA 0.413 4.754 4.340 0.002 0.000 0.286 289 Q C -2.243 173.614 176.000 -0.238 0.000 1.007 289 Q CA -0.976 54.680 55.803 -0.244 0.000 0.801 289 Q CB 1.735 30.388 28.738 -0.142 0.000 1.455 289 Q HN 0.552 8.822 8.270 0.000 0.000 0.398 290 W N 2.844 124.127 121.300 -0.029 0.000 2.429 290 W HA 0.620 5.281 4.660 0.002 0.000 0.314 290 W C 0.029 176.550 176.519 0.003 0.000 1.062 290 W CA -0.508 56.841 57.345 0.006 0.000 1.211 290 W CB 1.391 30.874 29.460 0.038 0.000 1.305 290 W HN 0.577 8.757 8.180 0.000 0.000 0.476 291 I N 0.237 120.941 120.570 0.223 0.000 3.002 291 I HA 0.667 4.838 4.170 0.002 0.000 0.310 291 I C -0.851 175.297 176.117 0.052 0.000 1.087 291 I CA -1.391 59.968 61.300 0.100 0.000 1.017 291 I CB 2.318 40.326 38.000 0.013 0.000 1.226 291 I HN 0.091 8.301 8.210 0.000 0.000 0.443 292 K N 2.795 123.174 120.400 -0.035 0.000 2.397 292 K HA 0.321 4.642 4.320 0.002 0.000 0.253 292 K C -1.475 175.108 176.600 -0.029 0.000 0.932 292 K CA -0.516 55.662 56.287 -0.183 0.000 0.795 292 K CB 1.392 33.744 32.500 -0.246 0.000 1.159 292 K HN 0.865 9.115 8.250 0.000 0.000 0.424 293 H N 3.721 122.709 119.070 -0.136 0.000 2.782 293 H HA 0.309 4.866 4.556 0.002 0.000 0.285 293 H C 0.113 175.404 175.328 -0.062 0.000 1.093 293 H CA -0.604 55.426 56.048 -0.030 0.000 1.410 293 H CB 0.525 30.311 29.762 0.040 0.000 1.439 293 H HN 0.357 8.637 8.280 0.000 0.000 0.469 294 V N 1.277 121.224 119.914 0.055 0.000 3.285 294 V HA 0.311 4.432 4.120 0.002 0.000 0.302 294 V C 0.035 176.084 176.094 -0.075 0.000 1.247 294 V CA -1.230 61.035 62.300 -0.058 0.000 1.035 294 V CB 1.176 32.984 31.823 -0.025 0.000 1.223 294 V HN 0.728 8.918 8.190 0.000 0.000 0.475 295 E N 0.771 120.934 120.200 -0.062 0.000 1.210 295 E HA -0.144 4.207 4.350 0.002 0.000 0.205 295 E C -0.396 176.161 176.600 -0.071 0.000 0.938 295 E CA 1.230 57.599 56.400 -0.053 0.000 0.589 295 E CB -1.216 28.468 29.700 -0.027 0.000 1.000 295 E HN 0.675 9.035 8.360 0.000 0.000 0.261 308 Y N 0.381 120.738 120.300 0.096 0.000 2.122 308 Y HA 0.001 4.553 4.550 0.002 0.000 0.249 308 Y C 1.263 177.252 175.900 0.148 0.000 1.070 308 Y CA 0.843 59.038 58.100 0.158 0.000 1.059 308 Y CB -0.538 37.937 38.460 0.025 0.000 0.988 308 Y HN 0.155 8.435 8.280 0.000 0.000 0.480 309 L N 0.804 122.181 121.223 0.256 0.000 2.317 309 L HA 0.447 4.788 4.340 0.002 0.000 0.281 309 L C -0.342 176.569 176.870 0.070 0.000 1.024 309 L CA -0.774 54.137 54.840 0.118 0.000 0.810 309 L CB 1.509 43.580 42.059 0.020 0.000 1.240 309 L HN 0.089 8.319 8.230 0.000 0.000 0.427 310 K N 2.112 122.540 120.400 0.045 0.000 2.358 310 K HA 0.458 4.779 4.320 0.002 0.000 0.260 310 K C -1.171 175.451 176.600 0.037 0.000 0.956 310 K CA -0.661 55.646 56.287 0.033 0.000 0.834 310 K CB 2.009 34.520 32.500 0.018 0.000 1.102 310 K HN 0.373 8.623 8.250 0.000 0.000 0.431 311 V N 7.163 127.104 119.914 0.046 0.000 2.415 311 V HA 0.026 4.147 4.120 0.002 0.000 0.267 311 V C 1.250 177.395 176.094 0.084 0.000 1.042 311 V CA 0.149 62.489 62.300 0.066 0.000 1.000 311 V CB 0.633 32.493 31.823 0.061 0.000 1.015 311 V HN 0.832 9.022 8.190 0.000 0.000 0.478 312 L N 3.717 125.013 121.223 0.122 0.000 2.202 312 L HA 0.267 4.608 4.340 0.002 0.000 0.205 312 L C 0.948 177.898 176.870 0.133 0.000 1.083 312 L CA 0.715 55.631 54.840 0.127 0.000 0.790 312 L CB -0.035 42.120 42.059 0.160 0.000 0.942 312 L HN 0.560 8.790 8.230 0.000 0.000 0.452 313 K N -0.310 120.202 120.400 0.185 0.000 2.572 313 K HA 0.663 4.984 4.320 0.002 0.000 0.263 313 K C -1.959 174.751 176.600 0.182 0.000 0.932 313 K CA -0.369 56.026 56.287 0.180 0.000 0.838 313 K CB 2.321 34.937 32.500 0.193 0.000 1.366 313 K HN -0.059 8.191 8.250 0.000 0.000 0.425 314 A N 1.824 124.724 122.820 0.134 0.000 2.515 314 A HA 0.828 5.149 4.320 0.002 0.000 0.298 314 A C -1.234 176.409 177.584 0.099 0.000 1.059 314 A CA -0.492 51.602 52.037 0.095 0.000 0.698 314 A CB 1.613 20.695 19.000 0.136 0.000 1.289 314 A HN 0.814 8.964 8.150 0.000 0.000 0.404 315 A N 0.581 123.421 122.820 0.032 0.000 2.425 315 A HA 0.687 5.008 4.320 0.002 0.000 0.249 315 A C 0.682 178.393 177.584 0.211 0.000 1.084 315 A CA 0.562 52.650 52.037 0.086 0.000 0.781 315 A CB 0.137 19.139 19.000 0.003 0.000 1.019 315 A HN 2.099 10.249 8.150 0.000 0.000 0.490 316 G N -0.648 108.231 108.800 0.131 0.000 3.022 316 G HA2 0.462 4.423 3.960 0.002 0.000 0.284 316 G HA3 0.462 4.423 3.960 0.002 0.000 0.284 316 G C 0.696 175.635 174.900 0.064 0.000 1.375 316 G CA 0.130 45.288 45.100 0.098 0.000 0.902 316 G HN 0.854 9.144 8.290 0.000 0.000 0.538 317 V N 0.175 120.112 119.914 0.038 0.000 2.317 317 V HA -0.184 3.937 4.120 0.002 0.000 0.251 317 V C 1.587 177.698 176.094 0.028 0.000 1.065 317 V CA 2.136 64.452 62.300 0.026 0.000 1.049 317 V CB -0.403 31.429 31.823 0.015 0.000 0.651 317 V HN 0.695 8.885 8.190 0.000 0.000 0.450 318 N N 0.006 118.725 118.700 0.031 0.000 2.377 318 N HA 0.091 4.832 4.740 0.002 0.000 0.259 318 N C 0.131 175.661 175.510 0.034 0.000 1.332 318 N CA 0.273 53.340 53.050 0.028 0.000 0.877 318 N CB 0.760 39.260 38.487 0.022 0.000 1.299 318 N HN 0.666 9.046 8.380 0.000 0.000 0.501 319 T N -0.393 114.187 114.554 0.043 0.000 2.907 319 T HA 0.192 4.543 4.350 0.002 0.000 0.298 319 T C 1.010 175.737 174.700 0.044 0.000 1.017 319 T CA -0.416 61.713 62.100 0.048 0.000 1.118 319 T CB 1.348 70.252 68.868 0.061 0.000 0.948 319 T HN 0.105 8.345 8.240 0.000 0.000 0.531 320 T N 0.441 115.022 114.554 0.045 0.000 2.828 320 T HA 0.204 4.555 4.350 0.002 0.000 0.290 320 T C 0.696 175.424 174.700 0.046 0.000 1.019 320 T CA -0.682 61.442 62.100 0.041 0.000 1.031 320 T CB 0.632 69.525 68.868 0.042 0.000 1.001 320 T HN 0.515 8.755 8.240 0.000 0.000 0.531 321 D N 0.333 120.756 120.400 0.039 0.000 2.097 321 D HA -0.090 4.552 4.640 0.002 0.000 0.195 321 D C 1.964 178.298 176.300 0.055 0.000 0.989 321 D CA 1.279 55.303 54.000 0.039 0.000 0.827 321 D CB -0.176 40.641 40.800 0.028 0.000 0.966 321 D HN 0.662 9.032 8.370 0.000 0.000 0.456 322 K N 0.596 121.029 120.400 0.056 0.000 2.059 322 K HA -0.218 4.103 4.320 0.002 0.000 0.212 322 K C 2.002 178.652 176.600 0.084 0.000 1.050 322 K CA 1.469 57.797 56.287 0.067 0.000 0.927 322 K CB -0.019 32.520 32.500 0.064 0.000 0.714 322 K HN 0.183 8.433 8.250 0.000 0.000 0.447 323 E N 0.017 120.268 120.200 0.085 0.000 2.085 323 E HA -0.211 4.141 4.350 0.002 0.000 0.194 323 E C 1.903 178.575 176.600 0.120 0.000 0.994 323 E CA 1.322 57.781 56.400 0.099 0.000 0.801 323 E CB -0.053 29.699 29.700 0.087 0.000 0.743 323 E HN 0.236 8.596 8.360 0.000 0.000 0.453 324 I N 0.693 121.345 120.570 0.136 0.000 3.226 324 I HA -0.094 4.077 4.170 0.002 0.000 0.277 324 I C 2.017 178.337 176.117 0.338 0.000 1.243 324 I CA 0.720 62.155 61.300 0.224 0.000 1.459 324 I CB 0.128 38.207 38.000 0.131 0.000 1.093 324 I HN 0.023 8.233 8.210 0.000 0.000 0.453 325 E N -0.164 120.160 120.200 0.207 0.000 2.106 325 E HA -0.067 4.284 4.350 0.002 0.000 0.192 325 E C 0.055 176.801 176.600 0.243 0.000 0.984 325 E CA 0.732 57.255 56.400 0.206 0.000 0.806 325 E CB 0.372 30.136 29.700 0.107 0.000 0.750 325 E HN 0.200 8.560 8.360 0.000 0.000 0.458 326 V N 1.865 121.810 119.914 0.052 0.000 2.495 326 V HA 0.276 4.397 4.120 0.002 0.000 0.298 326 V C -0.696 175.076 176.094 -0.537 0.000 1.031 326 V CA -0.803 61.338 62.300 -0.266 0.000 0.871 326 V CB 1.619 33.147 31.823 -0.492 0.000 0.988 326 V HN 0.162 8.352 8.190 0.000 0.000 0.432 327 L N 6.212 126.931 121.223 -0.841 0.000 2.276 327 L HA 0.547 4.888 4.340 0.002 0.000 0.286 327 L C -0.983 175.497 176.870 -0.650 0.000 1.024 327 L CA -0.006 54.287 54.840 -0.911 0.000 0.826 327 L CB 0.644 41.794 42.059 -1.514 0.000 1.211 327 L HN 0.543 8.773 8.230 0.000 0.000 0.422 328 Y N 5.764 125.913 120.300 -0.252 0.000 2.327 328 Y HA 0.489 5.040 4.550 0.002 0.000 0.336 328 Y C 0.084 175.888 175.900 -0.160 0.000 1.035 328 Y CA -0.766 57.218 58.100 -0.194 0.000 1.165 328 Y CB 1.091 39.470 38.460 -0.135 0.000 1.181 328 Y HN 0.309 8.589 8.280 0.000 0.000 0.494 329 I N 4.988 125.549 120.570 -0.015 0.000 2.390 329 I HA 0.374 4.546 4.170 0.002 0.000 0.283 329 I C -0.130 175.972 176.117 -0.025 0.000 1.016 329 I CA -0.988 60.296 61.300 -0.026 0.000 1.151 329 I CB 0.974 38.939 38.000 -0.059 0.000 1.293 329 I HN 0.617 8.827 8.210 0.000 0.000 0.458 330 R N 4.810 125.302 120.500 -0.014 0.000 2.536 330 R HA 0.382 4.724 4.340 0.002 0.000 0.279 330 R C 0.173 176.451 176.300 -0.036 0.000 1.001 330 R CA -0.824 55.256 56.100 -0.033 0.000 1.027 330 R CB 0.811 31.087 30.300 -0.040 0.000 1.096 330 R HN 0.489 8.759 8.270 0.000 0.000 0.502 331 N N 0.317 118.990 118.700 -0.046 0.000 2.688 331 N HA -0.165 4.576 4.740 0.002 0.000 0.258 331 N C -0.665 174.812 175.510 -0.054 0.000 1.016 331 N CA 0.380 53.402 53.050 -0.048 0.000 0.747 331 N CB -0.733 37.733 38.487 -0.035 0.000 0.895 331 N HN 0.257 8.637 8.380 0.000 0.000 0.543 332 V N 0.987 120.859 119.914 -0.071 0.000 2.617 332 V HA -0.022 4.099 4.120 0.002 0.000 0.304 332 V C 1.276 177.295 176.094 -0.124 0.000 1.040 332 V CA 0.776 63.027 62.300 -0.082 0.000 1.149 332 V CB 1.325 33.093 31.823 -0.092 0.000 0.914 332 V HN 0.308 8.498 8.190 0.000 0.000 0.487 333 T N 4.639 119.134 114.554 -0.099 0.000 2.949 333 T HA 0.427 4.778 4.350 0.002 0.000 0.287 333 T C 0.750 175.375 174.700 -0.124 0.000 1.034 333 T CA -0.276 61.759 62.100 -0.109 0.000 1.018 333 T CB 1.095 69.958 68.868 -0.008 0.000 1.135 333 T HN 0.404 8.644 8.240 0.000 0.000 0.532 334 F N 0.702 120.663 119.950 0.018 0.000 2.216 334 F HA -0.071 4.458 4.527 0.002 0.000 0.300 334 F C 2.650 178.455 175.800 0.009 0.000 1.085 334 F CA 1.239 59.251 58.000 0.020 0.000 1.326 334 F CB -0.039 38.975 39.000 0.024 0.000 1.027 334 F HN 0.718 9.018 8.300 0.000 0.000 0.497 335 E N 0.525 120.829 120.200 0.173 0.000 2.085 335 E HA -0.259 4.093 4.350 0.002 0.000 0.194 335 E C 1.160 177.785 176.600 0.043 0.000 0.994 335 E CA 1.833 58.286 56.400 0.088 0.000 0.801 335 E CB -0.581 29.156 29.700 0.062 0.000 0.743 335 E HN 0.318 8.678 8.360 0.000 0.000 0.453 336 D N 1.610 122.039 120.400 0.048 0.000 2.309 336 D HA 0.013 4.654 4.640 0.002 0.000 0.212 336 D C 0.651 176.989 176.300 0.063 0.000 0.968 336 D CA 1.025 55.070 54.000 0.075 0.000 0.882 336 D CB -0.285 40.563 40.800 0.080 0.000 0.918 336 D HN 0.357 8.727 8.370 0.000 0.000 0.503 337 A N -0.010 122.812 122.820 0.004 0.000 2.466 337 A HA 0.507 4.828 4.320 0.002 0.000 0.238 337 A C 1.096 178.457 177.584 -0.372 0.000 1.074 337 A CA 0.763 52.734 52.037 -0.110 0.000 0.774 337 A CB 0.219 19.232 19.000 0.021 0.000 1.015 337 A HN 0.348 8.498 8.150 0.000 0.000 0.498 338 G N -0.295 107.912 108.800 -0.988 0.000 2.331 338 G HA2 0.200 4.161 3.960 0.002 0.000 0.402 338 G HA3 0.200 4.161 3.960 0.002 0.000 0.402 338 G C -0.715 173.497 174.900 -1.147 0.000 1.275 338 G CA -0.181 44.086 45.100 -1.388 0.000 1.003 338 G HN 0.998 9.288 8.290 0.000 0.000 0.500 339 E N -0.319 119.520 120.200 -0.601 0.000 2.229 339 E HA 0.567 4.918 4.350 0.002 0.000 0.283 339 E C -1.042 175.344 176.600 -0.357 0.000 1.030 339 E CA -0.471 55.840 56.400 -0.149 0.000 0.836 339 E CB 0.529 30.357 29.700 0.212 0.000 1.068 339 E HN 0.394 8.754 8.360 0.000 0.000 0.401 340 Y N 2.077 122.275 120.300 -0.170 0.000 2.377 340 Y HA 0.348 4.899 4.550 0.002 0.000 0.339 340 Y C 0.007 175.917 175.900 0.016 0.000 1.011 340 Y CA -0.560 57.429 58.100 -0.186 0.000 1.093 340 Y CB 2.341 40.390 38.460 -0.685 0.000 1.201 340 Y HN 0.335 8.615 8.280 0.000 0.000 0.455 341 T N 2.317 117.012 114.554 0.234 0.000 2.881 341 T HA 0.227 4.578 4.350 0.002 0.000 0.290 341 T C -1.357 173.353 174.700 0.016 0.000 1.000 341 T CA -0.612 61.591 62.100 0.172 0.000 0.978 341 T CB 1.068 70.025 68.868 0.147 0.000 0.997 341 T HN 0.759 8.999 8.240 0.000 0.000 0.443 342 c N 5.780 124.230 118.600 -0.251 0.000 2.265 342 c HA 0.695 5.267 4.570 0.002 0.000 0.332 342 c C -0.034 173.864 174.090 -0.319 0.000 1.248 342 c CA -0.705 55.194 56.329 -0.716 0.000 1.727 342 c CB -1.555 40.357 42.510 -0.996 0.000 2.348 342 c HN 0.874 9.104 8.230 0.000 0.000 0.519 343 L N 6.400 127.437 121.223 -0.310 0.000 2.296 343 L HA 0.721 5.062 4.340 0.002 0.000 0.286 343 L C 0.027 176.770 176.870 -0.211 0.000 1.023 343 L CA -0.071 54.655 54.840 -0.189 0.000 0.812 343 L CB 1.479 43.417 42.059 -0.202 0.000 1.223 343 L HN 0.907 9.137 8.230 0.000 0.000 0.421 344 A N 3.419 126.158 122.820 -0.136 0.000 2.359 344 A HA 0.808 5.129 4.320 0.002 0.000 0.303 344 A C -0.455 177.095 177.584 -0.056 0.000 1.066 344 A CA -0.306 51.656 52.037 -0.126 0.000 0.730 344 A CB 1.695 20.613 19.000 -0.137 0.000 1.211 344 A HN 0.776 8.926 8.150 0.000 0.000 0.439 345 G N 1.623 110.404 108.800 -0.033 0.000 2.591 345 G HA2 0.600 4.561 3.960 0.002 0.000 0.306 345 G HA3 0.600 4.561 3.960 0.002 0.000 0.306 345 G C -0.874 174.037 174.900 0.017 0.000 1.334 345 G CA -0.599 44.502 45.100 0.003 0.000 0.981 345 G HN 1.065 9.355 8.290 0.000 0.000 0.491 346 N N -1.672 117.036 118.700 0.015 0.000 3.167 346 N HA 0.362 5.104 4.740 0.002 0.000 0.323 346 N C 1.060 176.575 175.510 0.009 0.000 1.478 346 N CA -0.113 52.945 53.050 0.013 0.000 0.753 346 N CB 0.708 39.200 38.487 0.009 0.000 1.721 346 N HN 0.326 8.706 8.380 0.000 0.000 0.618 347 S N -1.200 114.502 115.700 0.003 0.000 2.561 347 S HA 0.075 4.546 4.470 0.002 0.000 0.225 347 S C 1.216 175.816 174.600 0.000 0.000 0.977 347 S CA 0.336 58.535 58.200 -0.001 0.000 0.926 347 S CB -0.603 62.593 63.200 -0.006 0.000 0.769 347 S HN 0.469 8.779 8.310 0.000 0.000 0.533 348 I N 1.255 121.829 120.570 0.007 0.000 3.081 348 I HA 0.418 4.589 4.170 0.002 0.000 0.274 348 I C 1.375 177.504 176.117 0.020 0.000 1.178 348 I CA 0.742 62.048 61.300 0.010 0.000 1.460 348 I CB 0.053 38.059 38.000 0.010 0.000 1.137 348 I HN 0.523 8.733 8.210 0.000 0.000 0.443 349 G N 0.436 109.251 108.800 0.025 0.000 2.315 349 G HA2 0.464 4.425 3.960 0.002 0.000 0.294 349 G HA3 0.464 4.425 3.960 0.002 0.000 0.294 349 G C -1.703 173.217 174.900 0.034 0.000 1.300 349 G CA -0.512 44.607 45.100 0.031 0.000 0.843 349 G HN 0.140 8.430 8.290 0.000 0.000 0.527 350 I N -2.050 118.547 120.570 0.046 0.000 2.646 350 I HA 0.899 5.070 4.170 0.002 0.000 0.299 350 I C -0.298 175.893 176.117 0.123 0.000 1.036 350 I CA -0.851 60.483 61.300 0.056 0.000 1.074 350 I CB 2.447 40.464 38.000 0.027 0.000 1.258 350 I HN 0.443 8.653 8.210 0.000 0.000 0.430 351 S N 4.708 120.482 115.700 0.124 0.000 2.548 351 S HA 0.844 5.315 4.470 0.002 0.000 0.286 351 S C -0.854 173.890 174.600 0.240 0.000 1.098 351 S CA -0.675 57.611 58.200 0.144 0.000 0.930 351 S CB 1.560 64.757 63.200 -0.005 0.000 1.070 351 S HN 0.724 9.034 8.310 0.000 0.000 0.480 352 F N -1.023 118.885 119.950 -0.069 0.000 2.619 352 F HA 0.668 5.196 4.527 0.002 0.000 0.308 352 F C -0.930 174.928 175.800 0.096 0.000 1.097 352 F CA -1.003 56.962 58.000 -0.060 0.000 0.953 352 F CB 1.284 40.254 39.000 -0.050 0.000 1.287 352 F HN 0.582 8.882 8.300 0.000 0.000 0.446 353 H N 0.678 119.771 119.070 0.037 0.000 2.679 353 H HA 0.592 5.149 4.556 0.002 0.000 0.360 353 H C -1.122 174.248 175.328 0.071 0.000 1.105 353 H CA -1.185 54.860 56.048 -0.006 0.000 1.196 353 H CB 2.488 32.248 29.762 -0.003 0.000 1.636 353 H HN 0.745 9.025 8.280 0.000 0.000 0.531 354 S N 1.256 117.061 115.700 0.176 0.000 2.578 354 S HA 0.755 5.226 4.470 0.002 0.000 0.301 354 S C -0.725 173.989 174.600 0.190 0.000 1.091 354 S CA -0.742 57.571 58.200 0.188 0.000 1.032 354 S CB 1.881 65.195 63.200 0.191 0.000 1.064 354 S HN 0.721 9.031 8.310 0.000 0.000 0.508 355 A N 1.951 124.895 122.820 0.207 0.000 2.422 355 A HA 0.654 4.975 4.320 0.002 0.000 0.302 355 A C -1.583 176.174 177.584 0.289 0.000 1.041 355 A CA -0.622 51.561 52.037 0.244 0.000 0.708 355 A CB 1.109 20.245 19.000 0.226 0.000 1.257 355 A HN 0.839 8.989 8.150 0.000 0.000 0.414 356 W N 4.131 125.544 121.300 0.189 0.000 2.469 356 W HA 0.564 5.225 4.660 0.002 0.000 0.320 356 W C -1.896 174.794 176.519 0.285 0.000 1.086 356 W CA -0.749 56.716 57.345 0.199 0.000 1.211 356 W CB 1.590 31.136 29.460 0.142 0.000 1.298 356 W HN 0.602 8.782 8.180 0.000 0.000 0.525 357 L N 6.258 127.340 121.223 -0.235 0.000 2.257 357 L HA 0.357 4.699 4.340 0.002 0.000 0.290 357 L C -0.147 176.670 176.870 -0.088 0.000 1.044 357 L CA 0.235 55.077 54.840 0.003 0.000 0.810 357 L CB 1.227 43.359 42.059 0.123 0.000 1.193 357 L HN 0.242 8.472 8.230 0.000 0.000 0.425 358 T N 5.104 119.783 114.554 0.208 0.000 2.728 358 T HA 0.452 4.803 4.350 0.002 0.000 0.296 358 T C -0.210 174.581 174.700 0.150 0.000 0.940 358 T CA -0.289 61.986 62.100 0.291 0.000 1.013 358 T CB 0.739 69.798 68.868 0.317 0.000 0.912 358 T HN 0.364 8.604 8.240 0.000 0.000 0.484 359 V N 6.040 126.040 119.914 0.144 0.000 2.394 359 V HA 0.493 4.614 4.120 0.002 0.000 0.282 359 V C 0.064 176.223 176.094 0.109 0.000 1.031 359 V CA -0.739 61.583 62.300 0.036 0.000 0.881 359 V CB 1.024 32.800 31.823 -0.078 0.000 0.982 359 V HN 0.714 8.904 8.190 0.000 0.000 0.451 360 L N 6.489 127.732 121.223 0.033 0.000 2.303 360 L HA 0.677 5.018 4.340 0.002 0.000 0.266 360 L C -2.407 174.498 176.870 0.059 0.000 1.011 360 L CA -1.986 52.921 54.840 0.112 0.000 0.818 360 L CB 2.511 44.618 42.059 0.081 0.000 1.326 360 L HN 0.422 8.652 8.230 0.000 0.000 0.435 361 P HA 0.701 5.121 4.420 0.000 0.000 0.281 361 P C -1.108 176.238 177.300 0.077 0.000 1.281 361 P CA -0.273 62.933 63.100 0.176 0.000 0.811 361 P CB 1.780 33.643 31.700 0.271 0.000 1.154 362 A N 0.000 122.857 122.820 0.061 0.000 2.254 362 A HA 0.000 4.321 4.320 0.002 0.000 0.244 362 A CA 0.000 52.059 52.037 0.036 0.000 0.836 362 A CB 0.000 19.015 19.000 0.025 0.000 0.831 362 A HN 0.000 8.150 8.150 0.000 0.000 0.486