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 2l3p_1_A DATA FIRST_RESID 220 DATA SEQUENCE GPYAQPSINT PLPNLQNGPF YARVIQKRVP NAYDKTALAL EVGELVKVTK DATA SEQUENCE INMSGQWEGE CNGKRGHFPF THVRLLDQ 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 220 G HA2 0.000 nan 3.960 nan 0.000 0.000 220 G HA3 0.000 3.957 3.960 -0.006 0.000 0.000 220 G C 0.000 174.894 174.900 -0.010 0.000 0.000 220 G CA 0.000 45.095 45.100 -0.008 0.000 0.000 221 P HA -0.026 4.253 4.420 -0.236 0.000 0.266 221 P C -0.797 176.442 177.300 -0.102 0.000 1.186 221 P CA -0.687 62.315 63.100 -0.165 0.000 0.767 221 P CB 0.700 32.289 31.700 -0.185 0.000 0.820 222 Y N -1.037 119.284 120.300 0.035 0.000 2.594 222 Y HA -0.065 4.498 4.550 0.021 0.000 0.344 222 Y C -1.505 174.370 175.900 -0.041 0.000 1.185 222 Y CA -1.033 57.087 58.100 0.033 0.000 1.565 222 Y CB -1.941 36.606 38.460 0.146 0.000 1.415 222 Y HN 0.098 7.864 8.280 -0.856 0.000 0.488 223 A N 4.558 127.385 122.820 0.012 0.000 2.593 223 A HA 0.240 4.515 4.320 -0.075 0.000 0.290 223 A C -2.091 175.491 177.584 -0.002 0.000 1.126 223 A CA -0.943 51.073 52.037 -0.035 0.000 0.695 223 A CB 2.523 21.489 19.000 -0.056 0.000 1.290 223 A HN -0.045 8.063 8.150 0.017 0.052 0.414 224 Q N -1.186 118.618 119.800 0.006 0.000 2.292 224 Q HA 0.033 4.595 4.340 0.087 -0.170 0.290 224 Q C -0.718 175.300 176.000 0.031 0.000 1.161 224 Q CA -1.054 54.779 55.803 0.050 0.000 0.974 224 Q CB -0.994 27.779 28.738 0.058 0.000 1.136 224 Q HN 0.101 8.358 8.270 -0.022 0.000 0.398 225 P HA -0.023 4.400 4.420 0.005 0.000 0.258 225 P C -1.523 175.790 177.300 0.022 0.000 1.559 225 P CA -0.445 62.666 63.100 0.019 0.000 0.855 225 P CB -1.265 30.446 31.700 0.018 0.000 1.594 226 S N -5.921 109.794 115.700 0.027 0.000 2.931 226 S HA -0.366 4.117 4.470 0.021 0.000 0.271 226 S C 0.015 174.634 174.600 0.031 0.000 1.309 226 S CA 1.995 60.209 58.200 0.023 0.000 1.181 226 S CB -1.554 61.655 63.200 0.014 0.000 1.435 226 S HN 0.295 8.446 8.310 0.030 0.177 0.670 227 I N -0.188 120.410 120.570 0.048 0.000 3.684 227 I HA -0.019 4.177 4.170 0.043 0.000 0.304 227 I C -0.462 175.688 176.117 0.055 0.000 1.278 227 I CA 0.425 61.760 61.300 0.057 0.000 1.272 227 I CB -0.082 37.970 38.000 0.087 0.000 1.029 227 I HN 0.104 8.272 8.210 0.055 0.075 0.458 228 N N -4.329 114.400 118.700 0.048 0.000 2.782 228 N HA -0.147 4.612 4.740 0.031 0.000 0.251 228 N C -1.508 174.029 175.510 0.046 0.000 1.101 228 N CA 0.866 53.936 53.050 0.033 0.000 0.764 228 N CB -0.088 38.404 38.487 0.008 0.000 1.122 228 N HN 0.049 8.359 8.380 0.045 0.097 0.561 229 T N -3.953 110.673 114.554 0.119 0.000 2.853 229 T HA 0.536 4.958 4.350 0.119 0.000 0.317 229 T C -2.198 172.699 174.700 0.329 0.000 1.059 229 T CA -3.288 58.967 62.100 0.258 0.000 0.954 229 T CB 0.242 69.386 68.868 0.459 0.000 0.994 229 T HN -0.546 7.730 8.240 0.116 0.033 0.479 230 P HA -0.104 4.386 4.420 0.118 0.000 0.272 230 P C -0.365 177.220 177.300 0.474 0.000 1.248 230 P CA -0.859 62.407 63.100 0.277 0.000 0.799 230 P CB 0.531 32.381 31.700 0.250 0.000 0.997 231 L N -1.193 120.122 121.223 0.152 0.000 2.865 231 L HA -0.222 4.108 4.340 -0.018 0.000 0.283 231 L C -1.154 175.741 176.870 0.041 0.000 1.101 231 L CA 0.252 55.116 54.840 0.041 0.000 1.061 231 L CB -2.150 39.828 42.059 -0.136 0.000 1.437 231 L HN 0.256 8.436 8.230 -0.084 0.000 0.460 232 P HA -0.019 2.732 4.420 -2.781 0.000 0.211 232 P C -0.583 176.279 177.300 -0.730 0.000 1.183 232 P CA 0.538 62.869 63.100 -1.281 0.000 0.901 232 P CB 1.254 32.219 31.700 -1.225 0.000 0.762 233 N N -4.418 114.000 118.700 -0.470 0.000 5.393 233 N HA -0.391 4.333 4.740 -0.461 -0.261 0.330 233 N C 1.257 176.524 175.510 -0.405 0.000 0.915 233 N CA 0.868 53.663 53.050 -0.424 0.000 1.070 233 N CB -0.800 37.492 38.487 -0.324 0.000 0.848 233 N HN -0.478 7.759 8.380 -0.411 -0.103 0.486 234 L N -2.123 118.874 121.223 -0.376 0.000 3.153 234 L HA -0.420 3.855 4.340 -0.254 -0.087 0.369 234 L C 0.196 176.904 176.870 -0.270 0.000 3.110 234 L CA 3.203 57.877 54.840 -0.276 0.000 2.423 234 L CB -1.619 40.318 42.059 -0.204 0.000 2.474 234 L HN 0.459 8.457 8.230 -0.434 -0.028 0.797 235 Q N -0.360 119.278 119.800 -0.270 0.000 2.226 235 Q HA -0.268 3.968 4.340 -0.174 0.000 0.204 235 Q C 0.947 176.791 176.000 -0.259 0.000 0.975 235 Q CA 2.390 58.059 55.803 -0.223 0.000 0.866 235 Q CB 0.170 28.785 28.738 -0.206 0.000 0.915 235 Q HN 0.019 8.038 8.270 -0.293 0.076 0.440 236 N N -3.557 114.900 118.700 -0.405 0.000 2.439 236 N HA 0.011 4.565 4.740 -0.310 0.000 0.176 236 N C -0.141 174.806 175.510 -0.938 0.000 1.029 236 N CA 1.489 54.202 53.050 -0.563 0.000 0.886 236 N CB 0.157 38.286 38.487 -0.597 0.000 1.057 236 N HN -0.113 7.917 8.380 -0.441 0.086 0.437 237 G N -0.078 108.127 108.800 -0.992 0.000 2.542 237 G HA2 0.326 3.922 3.960 -0.607 0.000 0.208 237 G HA3 0.326 3.836 3.960 -0.936 -0.111 0.208 237 G C -2.193 172.493 174.900 -0.357 0.000 1.976 237 G CA -0.386 44.253 45.100 -0.767 0.000 0.722 237 G HN -0.170 7.750 8.290 -0.804 -0.113 0.798 238 P HA 0.076 4.355 4.420 -0.360 -0.075 0.271 238 P C -1.684 175.528 177.300 -0.147 0.000 1.216 238 P CA 0.014 62.963 63.100 -0.252 0.000 0.771 238 P CB 0.573 32.195 31.700 -0.129 0.000 0.864 239 F N 2.360 122.253 119.950 -0.096 0.000 2.382 239 F HA -0.045 4.482 4.527 -0.124 -0.074 0.331 239 F C -0.693 175.126 175.800 0.033 0.000 1.121 239 F CA -1.531 56.419 58.000 -0.082 0.000 1.183 239 F CB 1.249 40.184 39.000 -0.109 0.000 1.207 239 F HN -0.072 8.161 8.300 -0.111 0.000 0.555 240 Y N 0.399 120.802 120.300 0.171 0.000 2.300 240 Y HA -0.130 4.472 4.550 0.087 0.000 0.328 240 Y C -0.656 175.290 175.900 0.076 0.000 1.270 240 Y CA -0.515 57.639 58.100 0.089 0.000 1.352 240 Y CB 1.617 40.105 38.460 0.047 0.000 1.286 240 Y HN -0.160 8.389 8.280 0.294 -0.092 0.536 241 A N 1.131 124.087 122.820 0.228 0.000 2.459 241 A HA 0.312 4.687 4.320 0.113 0.013 0.296 241 A C -2.691 174.924 177.584 0.052 0.000 1.039 241 A CA -1.011 51.108 52.037 0.137 0.000 0.698 241 A CB 2.913 22.028 19.000 0.190 0.000 1.261 241 A HN 0.789 8.975 8.150 0.213 0.092 0.405 242 R N 5.462 125.973 120.500 0.018 0.000 2.291 242 R HA 0.085 4.534 4.340 -0.051 -0.140 0.333 242 R C -0.386 175.895 176.300 -0.031 0.000 1.082 242 R CA -1.509 54.575 56.100 -0.026 0.000 0.948 242 R CB -0.219 30.063 30.300 -0.030 0.000 1.009 242 R HN -0.168 8.048 8.270 0.031 0.073 0.460 243 V N 6.736 126.622 119.914 -0.046 0.000 2.763 243 V HA -0.132 4.054 4.120 -0.058 -0.101 0.306 243 V C -0.675 175.362 176.094 -0.095 0.000 1.059 243 V CA 0.715 62.970 62.300 -0.075 0.000 1.138 243 V CB 1.118 32.879 31.823 -0.104 0.000 0.940 243 V HN 0.027 8.105 8.190 -0.051 0.083 0.489 244 I N 1.751 122.255 120.570 -0.110 0.000 4.240 244 I HA 0.355 4.548 4.170 -0.089 -0.076 0.331 244 I C -0.410 175.636 176.117 -0.118 0.000 1.381 244 I CA -0.453 60.789 61.300 -0.097 0.000 1.136 244 I CB 1.276 39.231 38.000 -0.074 0.000 1.137 244 I HN 0.831 8.865 8.210 -0.114 0.108 0.411 245 Q N -1.206 118.471 119.800 -0.205 0.000 2.842 245 Q HA 0.073 4.280 4.340 -0.221 0.000 0.215 245 Q C -2.347 173.264 176.000 -0.649 0.000 0.764 245 Q CA -0.301 55.330 55.803 -0.286 0.000 0.994 245 Q CB 2.789 31.449 28.738 -0.129 0.000 1.554 245 Q HN -0.641 7.481 8.270 -0.246 0.000 0.475 246 K N 1.267 121.359 120.400 -0.513 0.000 2.480 246 K HA 0.239 3.915 4.320 -1.074 0.000 0.258 246 K C -1.233 175.140 176.600 -0.379 0.000 0.990 246 K CA -1.824 54.068 56.287 -0.658 0.000 0.857 246 K CB 2.926 35.130 32.500 -0.494 0.000 1.384 246 K HN 0.017 8.068 8.250 -0.332 0.000 0.446 247 R N -0.002 120.306 120.500 -0.320 0.000 2.607 247 R HA 0.182 4.452 4.340 -0.115 0.000 0.261 247 R C -1.889 174.389 176.300 -0.037 0.000 1.051 247 R CA -0.888 55.144 56.100 -0.113 0.000 1.110 247 R CB 1.029 31.320 30.300 -0.016 0.000 1.158 247 R HN 0.334 8.326 8.270 -0.464 0.000 0.543 248 V N 1.731 121.636 119.914 -0.016 0.000 2.284 248 V HA 0.247 4.368 4.120 0.000 0.000 0.260 248 V C -1.652 174.454 176.094 0.020 0.000 1.084 248 V CA -1.855 60.444 62.300 -0.002 0.000 0.894 248 V CB -0.304 31.509 31.823 -0.016 0.000 1.119 248 V HN 0.446 8.622 8.190 -0.022 0.000 0.484 249 P HA 0.337 4.777 4.420 0.033 0.000 0.340 249 P C -1.995 175.286 177.300 -0.031 0.000 1.327 249 P CA -1.758 61.359 63.100 0.030 0.000 0.823 249 P CB 2.056 33.798 31.700 0.071 0.000 1.953 250 N N -4.964 113.691 118.700 -0.075 0.000 3.339 250 N HA -0.017 4.624 4.740 -0.165 0.000 0.275 250 N C 0.245 175.631 175.510 -0.207 0.000 1.514 250 N CA -0.877 52.062 53.050 -0.185 0.000 0.879 250 N CB 1.310 39.609 38.487 -0.313 0.000 1.557 250 N HN -0.230 8.118 8.380 -0.054 0.000 0.524 251 A N -0.673 121.959 122.820 -0.313 0.000 2.168 251 A HA -0.075 4.153 4.320 -0.153 0.000 0.215 251 A C -0.200 177.372 177.584 -0.019 0.000 1.152 251 A CA 1.526 53.449 52.037 -0.190 0.000 0.716 251 A CB -0.493 18.405 19.000 -0.170 0.000 0.794 251 A HN 0.477 8.364 8.150 -0.439 0.000 0.465 252 Y N -4.277 116.004 120.300 -0.031 0.000 2.420 252 Y HA -0.113 4.427 4.550 -0.017 0.000 0.292 252 Y C 0.553 176.439 175.900 -0.023 0.000 1.119 252 Y CA -0.700 57.388 58.100 -0.020 0.000 1.229 252 Y CB -0.148 38.306 38.460 -0.011 0.000 1.026 252 Y HN -0.922 7.213 8.280 -0.364 -0.074 0.554 253 D N -0.495 119.961 120.400 0.094 0.000 2.517 253 D HA 0.019 4.699 4.640 0.066 0.000 0.220 253 D C -1.245 175.037 176.300 -0.029 0.000 1.158 253 D CA -0.113 53.910 54.000 0.038 0.000 0.992 253 D CB -1.167 39.642 40.800 0.015 0.000 1.058 253 D HN -0.510 7.885 8.370 0.032 -0.006 0.516 254 K N -0.782 119.622 120.400 0.005 0.000 3.529 254 K HA -0.427 3.934 4.320 0.068 0.000 0.313 254 K C -1.571 174.958 176.600 -0.118 0.000 1.316 254 K CA 1.635 57.923 56.287 0.002 0.000 0.988 254 K CB -1.544 30.963 32.500 0.012 0.000 1.252 254 K HN -0.035 8.207 8.250 0.045 0.035 0.438 255 T N -8.183 106.278 114.554 -0.155 0.000 2.923 255 T HA -0.465 3.785 4.350 -0.170 -0.002 0.463 255 T C -1.693 172.687 174.700 -0.532 0.000 0.780 255 T CA 1.188 63.138 62.100 -0.251 0.000 2.436 255 T CB -1.999 66.775 68.868 -0.156 0.000 1.675 255 T HN -0.399 7.776 8.240 -0.073 0.021 0.598 256 A N 2.617 125.200 122.820 -0.396 0.000 2.387 256 A HA 0.430 4.263 4.320 -0.813 0.000 0.303 256 A C -2.071 175.405 177.584 -0.180 0.000 1.145 256 A CA -2.605 49.137 52.037 -0.492 0.000 0.801 256 A CB 3.231 21.977 19.000 -0.424 0.000 1.342 256 A HN 0.051 8.052 8.150 -0.250 0.000 0.440 257 L N -0.700 120.537 121.223 0.023 0.000 2.260 257 L HA 0.049 4.411 4.340 0.037 0.000 0.289 257 L C -0.378 176.584 176.870 0.153 0.000 1.057 257 L CA -0.999 53.933 54.840 0.152 0.000 0.811 257 L CB -0.866 41.374 42.059 0.302 0.000 1.184 257 L HN 0.387 8.637 8.230 0.032 0.000 0.429 258 A N 7.154 129.998 122.820 0.040 0.000 2.666 258 A HA 0.115 4.596 4.320 0.025 -0.146 0.312 258 A C -1.510 176.069 177.584 -0.008 0.000 1.471 258 A CA -0.286 51.757 52.037 0.010 0.000 1.134 258 A CB -0.646 18.339 19.000 -0.025 0.000 1.129 258 A HN 0.360 8.513 8.150 0.006 0.000 0.539 259 L N -2.364 118.848 121.223 -0.019 0.000 2.720 259 L HA 0.420 4.733 4.340 -0.045 0.000 0.261 259 L C -2.225 174.596 176.870 -0.081 0.000 1.046 259 L CA -1.411 53.401 54.840 -0.048 0.000 0.886 259 L CB 2.803 44.835 42.059 -0.045 0.000 1.493 259 L HN -0.616 7.607 8.230 -0.013 0.000 0.407 260 E N -0.899 119.251 120.200 -0.084 0.000 2.264 260 E HA 0.167 4.452 4.350 -0.107 0.000 0.260 260 E C -0.040 176.495 176.600 -0.108 0.000 0.961 260 E CA -2.411 53.932 56.400 -0.094 0.000 0.834 260 E CB 3.192 32.850 29.700 -0.070 0.000 1.230 260 E HN -0.004 8.312 8.360 -0.074 0.000 0.412 261 V N 2.835 122.683 119.914 -0.111 0.000 2.539 261 V HA -0.525 3.533 4.120 -0.119 -0.010 0.300 261 V C 1.025 177.072 176.094 -0.077 0.000 1.019 261 V CA 2.666 64.905 62.300 -0.101 0.000 1.160 261 V CB -1.414 30.357 31.823 -0.087 0.000 0.901 261 V HN 0.447 8.570 8.190 -0.111 0.000 0.481 262 G N 7.471 116.227 108.800 -0.074 0.000 2.176 262 G HA2 -0.368 3.558 3.960 -0.056 0.000 0.232 262 G HA3 -0.368 3.559 3.960 -0.056 0.000 0.232 262 G C -0.418 174.442 174.900 -0.066 0.000 0.986 262 G CA -0.131 44.932 45.100 -0.062 0.000 0.643 262 G HN 1.281 9.395 8.290 -0.081 0.128 0.522 263 E N 0.074 120.229 120.200 -0.076 0.000 3.466 263 E HA 0.312 4.613 4.350 -0.082 0.000 0.265 263 E C -1.468 175.077 176.600 -0.092 0.000 1.291 263 E CA -1.207 55.143 56.400 -0.082 0.000 1.226 263 E CB 1.457 31.111 29.700 -0.078 0.000 1.404 263 E HN -0.387 7.844 8.360 -0.081 0.080 0.697 264 L N -2.893 118.264 121.223 -0.111 0.000 2.424 264 L HA 0.713 5.223 4.340 -0.078 -0.217 0.258 264 L C -2.428 174.387 176.870 -0.091 0.000 0.995 264 L CA -0.632 54.134 54.840 -0.123 0.000 0.821 264 L CB 3.886 45.812 42.059 -0.222 0.000 1.383 264 L HN 0.045 8.208 8.230 -0.111 0.000 0.410 265 V N 0.431 120.333 119.914 -0.020 0.000 2.760 265 V HA 0.302 4.449 4.120 0.045 0.000 0.309 265 V C -2.413 173.772 176.094 0.152 0.000 1.077 265 V CA -2.239 60.099 62.300 0.062 0.000 0.910 265 V CB 3.973 35.852 31.823 0.093 0.000 1.008 265 V HN 0.922 8.988 8.190 -0.006 0.120 0.424 266 K N 8.641 129.161 120.400 0.200 0.000 2.425 266 K HA 0.342 4.990 4.320 0.326 -0.133 0.259 266 K C -1.484 175.225 176.600 0.182 0.000 0.978 266 K CA -1.409 55.044 56.287 0.278 0.000 0.883 266 K CB 2.149 34.880 32.500 0.385 0.000 1.110 266 K HN -0.333 7.912 8.250 0.161 0.101 0.436 267 V N 8.636 128.650 119.914 0.166 0.000 2.368 267 V HA 0.030 4.237 4.120 0.145 0.000 0.266 267 V C -2.088 174.018 176.094 0.020 0.000 1.045 267 V CA -0.201 62.172 62.300 0.123 0.000 0.899 267 V CB 0.866 32.785 31.823 0.161 0.000 1.006 267 V HN 0.041 8.345 8.190 0.190 0.000 0.470 268 T N 9.180 123.749 114.554 0.025 0.000 2.958 268 T HA 0.147 4.455 4.350 -0.071 0.000 0.256 268 T C -0.671 174.017 174.700 -0.019 0.000 0.983 268 T CA -0.408 61.680 62.100 -0.021 0.000 0.924 268 T CB 0.842 69.714 68.868 0.007 0.000 1.136 268 T HN -0.139 8.144 8.240 0.072 0.000 0.506 269 K N 3.881 124.304 120.400 0.038 0.000 2.414 269 K HA 0.285 4.630 4.320 0.042 0.000 0.251 269 K C -1.686 174.992 176.600 0.131 0.000 1.037 269 K CA -1.970 54.364 56.287 0.079 0.000 0.980 269 K CB 0.129 32.703 32.500 0.125 0.000 1.280 269 K HN -0.609 7.685 8.250 0.073 0.000 0.451 270 I N 4.003 124.595 120.570 0.037 0.000 2.294 270 I HA 0.063 4.321 4.170 0.147 0.000 0.295 270 I C -1.163 175.140 176.117 0.310 0.000 1.098 270 I CA -0.778 60.564 61.300 0.070 0.000 1.277 270 I CB -1.413 36.445 38.000 -0.238 0.000 1.434 270 I HN 0.121 8.320 8.210 -0.019 0.000 0.498 271 N N 5.592 124.634 118.700 0.571 0.000 3.157 271 N HA 0.323 5.207 4.740 0.239 0.000 0.291 271 N C -1.557 174.069 175.510 0.193 0.000 1.515 271 N CA -1.259 51.974 53.050 0.305 0.000 0.807 271 N CB 2.218 40.809 38.487 0.174 0.000 1.672 271 N HN -0.390 8.551 8.380 0.935 0.000 0.592 272 M N -3.141 116.483 119.600 0.041 0.000 7.319 272 M HA -0.287 4.156 4.480 -0.063 0.000 0.207 272 M C -0.948 175.299 176.300 -0.088 0.000 0.480 272 M CA 1.670 56.921 55.300 -0.082 0.000 1.311 272 M CB -0.531 31.940 32.600 -0.214 0.000 0.421 272 M HN 0.178 8.501 8.290 0.055 0.000 0.243 273 S N -0.076 115.528 115.700 -0.161 0.000 2.650 273 S HA 0.247 4.689 4.470 -0.047 0.000 0.240 273 S C -0.484 173.977 174.600 -0.232 0.000 1.007 273 S CA -0.439 57.687 58.200 -0.125 0.000 0.984 273 S CB 0.818 63.974 63.200 -0.074 0.000 0.910 273 S HN 0.318 8.517 8.310 -0.185 0.000 0.509 274 G N 0.193 108.698 108.800 -0.492 0.000 3.824 274 G HA2 0.094 3.807 3.960 -0.412 0.000 0.198 274 G HA3 0.094 3.839 3.960 -0.358 0.000 0.198 274 G C -1.627 172.607 174.900 -1.111 0.000 1.400 274 G CA 0.704 45.463 45.100 -0.568 0.000 0.912 274 G HN -0.071 7.816 8.290 -0.566 0.063 0.638 275 Q N -0.044 119.205 119.800 -0.920 0.000 2.241 275 Q HA 0.232 3.865 4.340 -1.178 0.000 0.262 275 Q C -1.192 174.296 176.000 -0.854 0.000 1.014 275 Q CA -0.860 54.397 55.803 -0.910 0.000 0.885 275 Q CB 2.703 31.251 28.738 -0.316 0.000 1.311 275 Q HN -0.131 7.767 8.270 -0.620 0.000 0.461 276 W N -3.067 118.297 121.300 0.107 0.000 3.165 276 W HA 0.261 4.963 4.660 0.070 0.000 0.351 276 W C -1.941 174.663 176.519 0.141 0.000 1.164 276 W CA -1.751 55.654 57.345 0.100 0.000 1.074 276 W CB 1.719 31.232 29.460 0.087 0.000 1.499 276 W HN 0.095 8.223 8.180 -0.088 0.000 0.600 277 E N -0.174 120.256 120.200 0.384 0.000 2.158 277 E HA 0.798 5.413 4.350 0.222 -0.131 0.271 277 E C -0.153 176.569 176.600 0.203 0.000 0.911 277 E CA -1.331 55.214 56.400 0.242 0.000 0.767 277 E CB 3.613 33.421 29.700 0.181 0.000 1.120 277 E HN -0.108 8.505 8.360 0.422 0.000 0.405 278 G N 1.936 110.841 108.800 0.176 0.000 2.488 278 G HA2 0.427 4.588 3.960 0.159 0.000 0.318 278 G HA3 0.427 4.499 3.960 0.188 0.000 0.318 278 G C -2.422 172.540 174.900 0.104 0.000 1.188 278 G CA -1.449 43.747 45.100 0.159 0.000 0.944 278 G HN 0.577 8.962 8.290 0.158 0.000 0.495 279 E N 0.164 120.426 120.200 0.104 0.000 2.343 279 E HA 0.820 5.512 4.350 0.054 -0.310 0.260 279 E C -0.976 175.681 176.600 0.094 0.000 0.908 279 E CA -1.335 55.112 56.400 0.078 0.000 0.814 279 E CB 3.400 33.141 29.700 0.068 0.000 1.302 279 E HN 0.115 8.435 8.360 0.128 0.116 0.408 280 C N 7.205 126.543 119.300 0.064 0.000 2.242 280 C HA 0.278 4.776 4.460 0.064 0.000 0.317 280 C C -0.300 174.703 174.990 0.022 0.000 1.087 280 C CA -2.677 56.369 59.018 0.045 0.000 1.535 280 C CB -0.672 27.085 27.740 0.028 0.000 1.893 280 C HN 1.128 9.263 8.230 0.047 0.123 0.426 281 N N 2.660 121.385 118.700 0.042 0.000 2.708 281 N HA -0.399 4.373 4.740 0.054 0.000 0.251 281 N C -0.153 175.364 175.510 0.013 0.000 1.017 281 N CA 1.148 54.215 53.050 0.029 0.000 0.742 281 N CB -1.134 37.351 38.487 -0.004 0.000 0.943 281 N HN 0.780 9.211 8.380 0.086 0.000 0.539 282 G N -8.070 100.739 108.800 0.016 0.000 2.184 282 G HA2 -0.358 3.604 3.960 0.004 0.000 0.206 282 G HA3 -0.358 3.599 3.960 -0.005 0.000 0.206 282 G C -0.867 174.023 174.900 -0.016 0.000 0.995 282 G CA -0.363 44.736 45.100 -0.000 0.000 0.651 282 G HN 0.098 8.381 8.290 0.029 0.024 0.511 283 K N 1.538 121.932 120.400 -0.011 0.000 2.123 283 K HA 0.294 4.585 4.320 -0.048 0.000 0.259 283 K C -1.202 175.392 176.600 -0.011 0.000 0.960 283 K CA -0.847 55.426 56.287 -0.024 0.000 0.872 283 K CB 1.238 33.729 32.500 -0.015 0.000 1.079 283 K HN -0.128 7.982 8.250 0.001 0.141 0.440 284 R N -0.411 120.066 120.500 -0.039 0.000 2.771 284 R HA 1.031 5.623 4.340 -0.003 -0.253 0.274 284 R C -0.933 175.301 176.300 -0.109 0.000 0.987 284 R CA -1.729 54.349 56.100 -0.037 0.000 0.908 284 R CB 4.905 35.191 30.300 -0.024 0.000 1.213 284 R HN 0.541 8.772 8.270 -0.065 0.000 0.468 285 G N -0.969 107.751 108.800 -0.132 0.000 2.343 285 G HA2 0.113 3.870 3.960 -0.436 0.000 0.289 285 G HA3 0.113 3.707 3.960 -0.462 0.089 0.289 285 G C -3.344 171.368 174.900 -0.312 0.000 1.295 285 G CA 0.541 45.423 45.100 -0.364 0.000 0.869 285 G HN -0.115 8.144 8.290 -0.051 0.000 0.522 286 H N -2.503 116.373 119.070 -0.323 0.000 2.768 286 H HA 0.990 5.703 4.556 -0.009 -0.162 0.371 286 H C -1.270 173.853 175.328 -0.342 0.000 1.151 286 H CA -2.717 53.217 56.048 -0.191 0.000 1.165 286 H CB 2.983 32.679 29.762 -0.111 0.000 1.722 286 H HN -0.326 7.133 8.280 -1.368 0.000 0.543 287 F N -0.939 119.175 119.950 0.273 0.000 2.660 287 F HA 0.081 4.762 4.527 0.256 0.000 0.320 287 F C -2.254 173.700 175.800 0.258 0.000 1.099 287 F CA -1.593 56.569 58.000 0.269 0.000 1.061 287 F CB 3.267 42.426 39.000 0.265 0.000 1.300 287 F HN -0.122 8.380 8.300 0.337 0.000 0.479 288 P HA -0.028 4.662 4.420 0.154 -0.177 0.269 288 P C -0.906 176.494 177.300 0.167 0.000 1.211 288 P CA -0.329 62.860 63.100 0.149 0.000 0.781 288 P CB 0.726 32.386 31.700 -0.066 0.000 0.877 289 F N -0.269 119.727 119.950 0.076 0.000 2.661 289 F HA -0.138 4.507 4.527 0.197 0.000 0.298 289 F C 1.021 176.824 175.800 0.007 0.000 1.137 289 F CA 2.027 60.097 58.000 0.116 0.000 1.454 289 F CB 0.486 39.583 39.000 0.162 0.000 1.103 289 F HN 0.315 8.817 8.300 0.338 0.000 0.577 290 T N -2.599 111.802 114.554 -0.255 0.000 3.118 290 T HA -0.232 3.993 4.350 -0.209 0.000 0.269 290 T C -0.233 174.234 174.700 -0.388 0.000 1.166 290 T CA 1.980 63.875 62.100 -0.342 0.000 1.073 290 T CB -0.864 67.826 68.868 -0.297 0.000 0.884 290 T HN 0.390 8.467 8.240 -0.158 0.068 0.550 291 H N -5.506 113.388 119.070 -0.293 0.000 3.377 291 H HA 0.297 4.705 4.556 -0.248 0.000 0.243 291 H C -2.371 172.801 175.328 -0.261 0.000 1.264 291 H CA -2.305 53.592 56.048 -0.252 0.000 1.021 291 H CB -1.323 28.323 29.762 -0.193 0.000 2.781 291 H HN -0.469 7.462 8.280 -0.329 0.151 0.643 292 V N -4.692 115.085 119.914 -0.227 0.000 2.789 292 V HA 0.700 4.898 4.120 -0.088 -0.130 0.311 292 V C -1.645 174.277 176.094 -0.286 0.000 1.073 292 V CA -2.463 59.739 62.300 -0.165 0.000 0.921 292 V CB 3.225 35.073 31.823 0.042 0.000 1.009 292 V HN -0.251 7.503 8.190 -0.555 0.102 0.426 293 R N 4.022 124.472 120.500 -0.083 0.000 2.573 293 R HA 0.174 4.539 4.340 0.042 0.000 0.272 293 R C -1.217 175.142 176.300 0.098 0.000 1.009 293 R CA -0.934 55.175 56.100 0.015 0.000 1.059 293 R CB 1.594 31.893 30.300 -0.003 0.000 1.112 293 R HN 0.478 8.613 8.270 -0.058 0.100 0.517 294 L N -1.970 119.327 121.223 0.122 0.000 2.304 294 L HA 0.096 4.493 4.340 0.095 0.000 0.268 294 L C -0.895 175.948 176.870 -0.045 0.000 1.010 294 L CA -1.527 53.343 54.840 0.051 0.000 0.813 294 L CB 1.368 43.419 42.059 -0.015 0.000 1.315 294 L HN -0.045 8.278 8.230 0.155 0.000 0.445 295 L N -1.280 119.913 121.223 -0.051 0.000 2.260 295 L HA 0.388 4.688 4.340 -0.067 0.000 0.265 295 L C -0.997 175.756 176.870 -0.194 0.000 1.015 295 L CA -1.504 53.305 54.840 -0.051 0.000 0.826 295 L CB 3.791 45.916 42.059 0.110 0.000 1.373 295 L HN 0.786 8.910 8.230 0.014 0.113 0.450 296 D N 0.778 121.103 120.400 -0.125 0.000 2.564 296 D HA 0.116 4.494 4.640 -0.436 0.000 0.226 296 D C -0.606 175.709 176.300 0.023 0.000 1.149 296 D CA -0.735 53.168 54.000 -0.162 0.000 0.994 296 D CB -1.657 39.079 40.800 -0.106 0.000 1.029 296 D HN 0.079 8.424 8.370 -0.041 0.000 0.517 297 Q N 0.000 119.898 119.800 0.163 0.000 2.315 297 Q HA 0.000 4.488 4.340 0.069 -0.107 0.214 297 Q CA 0.000 55.854 55.803 0.085 0.000 1.022 297 Q CB 0.000 28.834 28.738 0.159 0.000 1.108 297 Q HN 0.000 8.323 8.270 0.180 0.055 0.481