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 2e5i_1_A DATA FIRST_RESID 193 DATA SEQUENCE GSSGSSGKRI TRPGNTDDPS GGNKVLLLSI QNPLYPITVD VLYTVCNPVG DATA SEQUENCE KVQRIVIFKR NGIQAMVEFE SVLCAQKAKA ALNGADIYAG CCTLKIEYAR DATA SEQUENCE PTRLNVIRND NDSWDYTKPY LGRR 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 193 G HA2 0.000 nan 3.960 nan 0.000 0.244 193 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 193 G C 0.000 174.900 174.900 -0.000 0.000 0.946 193 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 194 S N -0.663 115.037 115.700 -0.000 0.000 2.597 194 S HA 0.692 5.162 4.470 -0.000 0.000 0.274 194 S C -2.012 172.588 174.600 -0.000 0.000 1.132 194 S CA -0.446 57.754 58.200 -0.000 0.000 0.835 194 S CB 1.735 64.935 63.200 -0.000 0.000 1.092 194 S HN 0.421 8.731 8.310 -0.000 0.000 0.457 195 S N 0.715 116.415 115.700 -0.000 0.000 2.542 195 S HA 0.664 5.134 4.470 -0.000 0.000 0.276 195 S C -1.669 172.931 174.600 -0.000 0.000 1.148 195 S CA 0.125 58.325 58.200 -0.000 0.000 0.886 195 S CB 2.010 65.210 63.200 -0.000 0.000 1.109 195 S HN 0.562 8.872 8.310 -0.000 0.000 0.458 196 G N 1.126 109.926 108.800 -0.000 0.000 2.702 196 G HA2 0.209 4.169 3.960 -0.000 0.000 0.296 196 G HA3 0.209 4.169 3.960 -0.000 0.000 0.296 196 G C -1.815 173.085 174.900 -0.000 0.000 1.463 196 G CA 0.070 45.170 45.100 -0.000 0.000 0.890 196 G HN -0.080 8.210 8.290 -0.000 0.000 0.534 197 S N 1.961 117.661 115.700 -0.000 0.000 2.509 197 S HA 0.291 4.761 4.470 -0.000 0.000 0.297 197 S C -0.500 174.100 174.600 -0.000 0.000 1.118 197 S CA -0.289 57.911 58.200 -0.000 0.000 1.074 197 S CB 1.005 64.205 63.200 -0.000 0.000 1.038 197 S HN 0.019 8.329 8.310 -0.000 0.000 0.498 198 S N 3.328 119.028 115.700 -0.000 0.000 2.659 198 S HA 0.240 4.710 4.470 -0.000 0.000 0.312 198 S C -0.462 174.138 174.600 -0.000 0.000 1.114 198 S CA -0.337 57.863 58.200 -0.000 0.000 1.063 198 S CB 1.101 64.301 63.200 -0.000 0.000 0.996 198 S HN 0.112 8.421 8.310 -0.000 0.000 0.478 199 G N 1.756 110.556 108.800 -0.000 0.000 2.574 199 G HA2 0.256 4.216 3.960 -0.000 0.000 0.299 199 G HA3 0.256 4.216 3.960 -0.000 0.000 0.299 199 G C -1.585 173.315 174.900 -0.000 0.000 1.298 199 G CA 0.223 45.323 45.100 -0.000 0.000 0.952 199 G HN 0.106 8.396 8.290 -0.000 0.000 0.477 200 K N 0.073 120.472 120.400 -0.000 0.000 2.579 200 K HA 0.160 4.480 4.320 -0.000 0.000 0.284 200 K C -1.246 175.354 176.600 -0.000 0.000 0.990 200 K CA 0.337 56.624 56.287 -0.000 0.000 0.880 200 K CB 1.578 34.077 32.500 -0.000 0.000 1.488 200 K HN 0.045 8.295 8.250 -0.000 0.000 0.425 201 R N 0.993 121.493 120.500 -0.000 0.000 2.621 201 R HA 0.248 4.588 4.340 -0.000 0.000 0.292 201 R C -0.864 175.436 176.300 -0.000 0.000 0.969 201 R CA -0.622 55.477 56.100 -0.000 0.000 0.887 201 R CB 0.986 31.286 30.300 -0.000 0.000 1.180 201 R HN 0.284 8.554 8.270 -0.000 0.000 0.450 202 I N 3.407 123.977 120.570 -0.000 0.000 2.996 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.311 202 I C -0.163 175.954 176.117 -0.000 0.000 1.219 202 I CA 1.486 62.786 61.300 -0.000 0.000 1.452 202 I CB 0.269 38.268 38.000 -0.000 0.000 1.319 202 I HN 0.201 8.411 8.210 -0.000 0.000 0.564 203 T N 5.759 120.313 114.554 -0.000 0.000 3.237 203 T HA 0.218 4.567 4.350 -0.000 0.000 0.319 203 T C -1.618 173.082 174.700 -0.000 0.000 1.037 203 T CA -0.457 61.642 62.100 -0.000 0.000 1.048 203 T CB 0.707 69.575 68.868 -0.000 0.000 1.081 203 T HN 0.121 8.361 8.240 -0.000 0.000 0.455 204 R N 7.259 127.759 120.500 -0.000 0.000 2.750 204 R HA 0.581 4.921 4.340 -0.001 0.000 0.281 204 R C -1.480 174.820 176.300 -0.000 0.000 0.972 204 R CA -2.641 53.459 56.100 -0.001 0.000 0.912 204 R CB -0.635 29.665 30.300 -0.001 0.000 1.187 204 R HN 0.059 8.329 8.270 -0.000 0.000 0.464 205 P HA 0.003 4.423 4.420 -0.000 0.000 0.224 205 P C -0.162 177.137 177.300 -0.000 0.000 1.157 205 P CA -0.164 62.936 63.100 -0.000 0.000 0.799 205 P CB 0.404 32.104 31.700 -0.001 0.000 0.809 206 G N 1.321 110.121 108.800 -0.001 0.000 2.491 206 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.238 206 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.238 206 G C -1.221 173.679 174.900 -0.000 0.000 1.277 206 G CA -0.510 44.589 45.100 -0.001 0.000 0.851 206 G HN -0.368 7.894 8.290 -0.001 0.028 0.573 207 N N -0.330 118.370 118.700 -0.000 0.000 2.292 207 N HA 0.053 4.793 4.740 -0.000 0.000 0.303 207 N C -0.289 175.220 175.510 -0.001 0.000 1.140 207 N CA -0.690 52.359 53.050 -0.000 0.000 0.788 207 N CB 1.994 40.480 38.487 -0.000 0.000 1.361 207 N HN -0.018 8.362 8.380 -0.000 0.000 0.489 208 T N 2.809 117.362 114.554 -0.001 0.000 2.723 208 T HA -0.217 4.132 4.350 -0.001 0.000 0.260 208 T C -0.293 174.406 174.700 -0.002 0.000 1.019 208 T CA 1.737 63.836 62.100 -0.001 0.000 1.155 208 T CB 0.226 69.093 68.868 -0.002 0.000 1.024 208 T HN -0.065 8.174 8.240 -0.001 0.000 0.491 209 D N 2.943 123.342 120.400 -0.002 0.000 2.340 209 D HA 0.015 4.654 4.640 -0.002 0.000 0.251 209 D C -1.337 174.961 176.300 -0.003 0.000 1.080 209 D CA -0.078 53.921 54.000 -0.002 0.000 0.971 209 D CB 1.430 42.230 40.800 -0.001 0.000 1.137 209 D HN -0.154 8.215 8.370 -0.001 0.000 0.475 210 D N -0.579 119.818 120.400 -0.005 0.000 2.837 210 D HA 0.131 4.767 4.640 -0.007 0.000 0.220 210 D C -1.589 174.706 176.300 -0.010 0.000 1.236 210 D CA -1.961 52.034 54.000 -0.007 0.000 0.838 210 D CB 2.090 42.884 40.800 -0.010 0.000 1.647 210 D HN -0.140 8.228 8.370 -0.004 0.000 0.486 211 P HA 0.102 4.517 4.420 -0.009 0.000 0.253 211 P C -0.608 176.677 177.300 -0.026 0.000 1.281 211 P CA -0.290 62.802 63.100 -0.013 0.000 0.792 211 P CB 0.364 32.058 31.700 -0.009 0.000 1.193 212 S N 0.746 116.428 115.700 -0.029 0.000 3.074 212 S HA -0.249 4.191 4.470 -0.049 0.000 0.359 212 S C 0.558 175.114 174.600 -0.073 0.000 1.207 212 S CA 1.366 59.539 58.200 -0.046 0.000 1.061 212 S CB 0.536 63.714 63.200 -0.037 0.000 0.769 212 S HN -0.447 7.890 8.310 -0.022 -0.040 0.512 213 G N 2.563 111.295 108.800 -0.113 0.000 2.389 213 G HA2 0.107 3.965 3.960 -0.169 0.000 0.328 213 G HA3 0.107 3.940 3.960 -0.212 0.000 0.328 213 G C -1.578 173.118 174.900 -0.341 0.000 1.133 213 G CA -0.451 44.525 45.100 -0.206 0.000 0.891 213 G HN -0.053 8.177 8.290 -0.101 0.000 0.485 214 G N 1.127 109.591 108.800 -0.561 0.000 3.305 214 G HA2 -0.185 3.009 3.960 -1.276 0.000 0.649 214 G HA3 -0.185 3.541 3.960 -0.389 0.000 0.649 214 G C -2.571 172.220 174.900 -0.181 0.000 1.255 214 G CA -0.314 44.426 45.100 -0.600 0.000 1.137 214 G HN -0.051 7.918 8.290 -0.535 0.000 0.535 215 N N 1.592 120.323 118.700 0.050 0.000 2.484 215 N HA 0.137 4.935 4.740 0.096 0.000 0.269 215 N C -0.315 175.360 175.510 0.275 0.000 1.237 215 N CA -1.810 51.340 53.050 0.166 0.000 0.838 215 N CB 2.859 41.439 38.487 0.154 0.000 1.593 215 N HN -0.318 8.171 8.380 0.181 0.000 0.485 216 K N -2.463 118.057 120.400 0.200 0.000 2.147 216 K HA -0.238 4.240 4.320 0.263 0.000 0.205 216 K C -0.356 176.393 176.600 0.249 0.000 1.049 216 K CA 1.887 58.312 56.287 0.231 0.000 0.936 216 K CB -0.115 32.491 32.500 0.176 0.000 0.722 216 K HN 0.343 8.682 8.250 0.148 0.000 0.446 217 V N -0.128 119.899 119.914 0.188 0.000 2.607 217 V HA 0.089 4.419 4.120 0.097 -0.152 0.289 217 V C -0.753 175.436 176.094 0.158 0.000 1.053 217 V CA -0.720 61.664 62.300 0.139 0.000 0.996 217 V CB 0.231 32.117 31.823 0.104 0.000 0.995 217 V HN -0.649 7.622 8.190 0.175 0.024 0.476 218 L N 4.832 126.114 121.223 0.099 0.000 2.410 218 L HA 0.288 4.658 4.340 0.050 0.000 0.270 218 L C -1.982 174.919 176.870 0.052 0.000 0.983 218 L CA -1.328 53.540 54.840 0.047 0.000 0.822 218 L CB 3.735 45.790 42.059 -0.007 0.000 1.285 218 L HN 0.229 8.497 8.230 0.064 0.000 0.409 219 L N 4.009 125.270 121.223 0.064 0.000 2.363 219 L HA 0.173 4.595 4.340 0.136 0.000 0.286 219 L C -1.687 175.212 176.870 0.047 0.000 1.106 219 L CA -0.521 54.377 54.840 0.097 0.000 0.859 219 L CB 0.275 42.411 42.059 0.128 0.000 1.223 219 L HN 0.239 8.475 8.230 0.057 0.028 0.446 220 L N 8.408 129.643 121.223 0.021 0.000 2.276 220 L HA 0.176 4.637 4.340 -0.007 -0.125 0.286 220 L C -1.302 175.544 176.870 -0.040 0.000 1.061 220 L CA -0.086 54.746 54.840 -0.014 0.000 0.807 220 L CB 0.981 43.026 42.059 -0.024 0.000 1.177 220 L HN 0.301 8.547 8.230 0.027 0.000 0.429 221 S N 3.128 118.812 115.700 -0.025 0.000 2.640 221 S HA 0.316 4.746 4.470 -0.066 0.000 0.320 221 S C -0.781 173.800 174.600 -0.032 0.000 1.097 221 S CA -1.195 56.986 58.200 -0.033 0.000 1.092 221 S CB 1.088 64.288 63.200 -0.001 0.000 0.988 221 S HN -0.152 8.025 8.310 -0.013 0.125 0.470 222 I N 6.880 127.420 120.570 -0.050 0.000 2.496 222 I HA 0.025 4.369 4.170 -0.027 -0.191 0.285 222 I C -0.794 175.303 176.117 -0.032 0.000 1.080 222 I CA 0.129 61.405 61.300 -0.041 0.000 1.404 222 I CB 0.184 38.149 38.000 -0.058 0.000 1.403 222 I HN -0.215 7.950 8.210 -0.075 0.000 0.539 223 Q N 8.662 128.451 119.800 -0.019 0.000 2.303 223 Q HA 0.080 4.410 4.340 -0.016 0.000 0.257 223 Q C -0.883 175.106 176.000 -0.018 0.000 0.941 223 Q CA -0.051 55.744 55.803 -0.014 0.000 0.931 223 Q CB 1.650 30.387 28.738 -0.002 0.000 1.215 223 Q HN 0.656 8.810 8.270 -0.013 0.109 0.437 224 N N 3.587 122.270 118.700 -0.027 0.000 2.746 224 N HA -0.247 4.465 4.740 -0.046 0.000 0.250 224 N C -2.102 173.373 175.510 -0.059 0.000 1.055 224 N CA 0.290 53.317 53.050 -0.038 0.000 0.699 224 N CB -1.405 37.071 38.487 -0.017 0.000 0.919 224 N HN 0.711 9.075 8.380 -0.027 0.000 0.548 225 P HA 0.103 4.459 4.420 -0.107 0.000 0.249 225 P C -0.832 176.388 177.300 -0.134 0.000 1.686 225 P CA -0.642 62.400 63.100 -0.097 0.000 0.873 225 P CB -1.203 30.447 31.700 -0.084 0.000 1.828 226 L N -2.687 118.419 121.223 -0.195 0.000 2.085 226 L HA -0.437 3.741 4.340 -0.270 0.000 0.218 226 L C 1.018 177.614 176.870 -0.457 0.000 1.080 226 L CA 2.470 57.086 54.840 -0.374 0.000 0.776 226 L CB -0.133 41.579 42.059 -0.578 0.000 0.891 226 L HN -0.084 7.943 8.230 -0.148 0.115 0.437 227 Y N -4.319 115.882 120.300 -0.165 0.000 2.334 227 Y HA 0.131 4.630 4.550 -0.085 0.000 0.328 227 Y C -2.001 173.808 175.900 -0.151 0.000 1.130 227 Y CA -3.107 54.902 58.100 -0.152 0.000 1.163 227 Y CB -0.755 37.584 38.460 -0.202 0.000 1.207 227 Y HN -0.590 7.603 8.280 -0.124 0.012 0.471 228 P HA -0.109 4.306 4.420 -0.008 0.000 0.258 228 P C -1.286 176.018 177.300 0.006 0.000 1.172 228 P CA 0.227 63.338 63.100 0.018 0.000 0.762 228 P CB 0.050 31.773 31.700 0.038 0.000 0.764 229 I N 4.892 125.450 120.570 -0.020 0.000 2.330 229 I HA 0.217 4.381 4.170 -0.009 0.000 0.286 229 I C -0.585 175.531 176.117 -0.002 0.000 1.025 229 I CA -1.656 59.632 61.300 -0.021 0.000 1.197 229 I CB -0.713 37.256 38.000 -0.051 0.000 1.358 229 I HN 0.129 8.322 8.210 -0.029 0.000 0.467 230 T N 2.785 117.353 114.554 0.025 0.000 2.943 230 T HA 0.239 4.606 4.350 0.028 0.000 0.284 230 T C 1.558 176.286 174.700 0.047 0.000 1.015 230 T CA -1.947 60.175 62.100 0.036 0.000 1.042 230 T CB 2.274 71.172 68.868 0.049 0.000 1.055 230 T HN -0.164 8.098 8.240 0.037 0.000 0.500 231 V N -1.069 118.881 119.914 0.060 0.000 2.363 231 V HA -0.500 3.666 4.120 0.077 0.000 0.254 231 V C 0.864 177.017 176.094 0.099 0.000 1.074 231 V CA 3.798 66.149 62.300 0.084 0.000 1.069 231 V CB -1.089 30.801 31.823 0.112 0.000 0.659 231 V HN -0.274 7.955 8.190 0.066 0.000 0.455 232 D N -0.447 119.987 120.400 0.057 0.000 2.103 232 D HA -0.368 4.321 4.640 0.081 0.000 0.190 232 D C 2.769 179.131 176.300 0.103 0.000 0.997 232 D CA 3.687 57.726 54.000 0.064 0.000 0.833 232 D CB -0.779 40.028 40.800 0.012 0.000 0.961 232 D HN -0.025 8.355 8.370 0.039 0.014 0.447 233 V N -1.109 118.855 119.914 0.083 0.000 2.370 233 V HA -0.486 3.690 4.120 0.094 0.000 0.252 233 V C 2.006 178.151 176.094 0.085 0.000 1.068 233 V CA 3.662 66.018 62.300 0.093 0.000 1.061 233 V CB -0.051 31.834 31.823 0.103 0.000 0.656 233 V HN -0.708 7.525 8.190 0.071 0.000 0.455 234 L N -2.172 119.101 121.223 0.084 0.000 2.022 234 L HA -0.295 4.077 4.340 0.052 0.000 0.204 234 L C 2.394 179.310 176.870 0.076 0.000 1.076 234 L CA 2.511 57.392 54.840 0.070 0.000 0.749 234 L CB -0.445 41.649 42.059 0.058 0.000 0.903 234 L HN -1.027 7.147 8.230 0.086 0.108 0.439 235 Y N 0.168 120.460 120.300 -0.014 0.000 2.283 235 Y HA -0.520 3.987 4.550 -0.073 0.000 0.285 235 Y C 1.871 177.731 175.900 -0.066 0.000 1.176 235 Y CA 3.526 61.589 58.100 -0.061 0.000 1.229 235 Y CB -0.274 38.141 38.460 -0.075 0.000 0.975 235 Y HN 0.671 9.090 8.280 0.231 0.000 0.537 236 T N 1.255 115.833 114.554 0.041 0.000 2.708 236 T HA -0.347 3.980 4.350 -0.038 0.000 0.266 236 T C 1.019 175.657 174.700 -0.103 0.000 1.037 236 T CA 4.511 66.594 62.100 -0.028 0.000 1.146 236 T CB -0.299 68.586 68.868 0.030 0.000 0.865 236 T HN 0.422 8.603 8.240 0.127 0.135 0.435 237 V N -0.267 119.611 119.914 -0.061 0.000 3.406 237 V HA -0.130 3.951 4.120 -0.066 0.000 0.263 237 V C 0.720 176.770 176.094 -0.073 0.000 1.172 237 V CA 1.373 63.639 62.300 -0.056 0.000 1.140 237 V CB 0.246 32.060 31.823 -0.014 0.000 0.784 237 V HN -0.195 7.899 8.190 -0.020 0.084 0.467 238 C N -2.045 117.191 119.300 -0.106 0.000 2.538 238 C HA -0.170 4.302 4.460 0.021 0.000 0.281 238 C C 1.323 176.215 174.990 -0.163 0.000 1.320 238 C CA 1.765 60.748 59.018 -0.059 0.000 1.714 238 C CB 0.908 28.646 27.740 -0.004 0.000 2.095 238 C HN 0.112 8.094 8.230 -0.132 0.169 0.497 239 N N 1.275 119.703 118.700 -0.454 0.000 2.060 239 N HA -0.192 4.519 4.740 -0.453 -0.243 0.195 239 N C -1.542 173.819 175.510 -0.249 0.000 1.028 239 N CA 3.963 56.705 53.050 -0.512 0.000 0.861 239 N CB -1.065 36.909 38.487 -0.855 0.000 1.029 239 N HN 0.023 7.908 8.380 -0.623 0.121 0.428 240 P HA -0.182 4.169 4.420 -0.114 0.000 0.221 240 P C -0.577 176.661 177.300 -0.103 0.000 1.141 240 P CA 1.438 64.463 63.100 -0.125 0.000 0.794 240 P CB -0.077 31.562 31.700 -0.103 0.000 0.764 241 V N -6.497 113.351 119.914 -0.109 0.000 2.788 241 V HA 0.133 4.194 4.120 -0.100 0.000 0.241 241 V C 0.032 176.055 176.094 -0.118 0.000 1.083 241 V CA -0.032 62.202 62.300 -0.111 0.000 1.103 241 V CB 1.615 33.361 31.823 -0.128 0.000 0.800 241 V HN 0.100 8.011 8.190 -0.119 0.208 0.476 242 G N -4.721 104.022 108.800 -0.095 0.000 2.495 242 G HA2 0.062 3.986 3.960 -0.060 0.000 0.294 242 G HA3 0.062 3.970 3.960 -0.087 0.000 0.294 242 G C -2.846 172.061 174.900 0.012 0.000 1.397 242 G CA -0.384 44.682 45.100 -0.057 0.000 0.790 242 G HN -0.698 7.466 8.290 -0.084 0.076 0.486 243 K N 0.335 120.767 120.400 0.053 0.000 2.382 243 K HA -0.074 4.249 4.320 0.005 0.000 0.275 243 K C -1.160 175.545 176.600 0.175 0.000 1.009 243 K CA 0.472 56.803 56.287 0.073 0.000 0.970 243 K CB 0.699 33.245 32.500 0.077 0.000 0.934 243 K HN 0.212 8.486 8.250 0.040 0.000 0.479 244 V N 4.981 124.946 119.914 0.084 0.000 2.459 244 V HA 0.133 4.245 4.120 -0.012 0.000 0.295 244 V C -0.202 175.936 176.094 0.073 0.000 1.029 244 V CA -0.566 61.755 62.300 0.034 0.000 0.874 244 V CB 2.105 33.948 31.823 0.032 0.000 0.985 244 V HN 0.320 8.542 8.190 0.053 0.000 0.438 245 Q N 4.939 124.771 119.800 0.052 0.000 2.013 245 Q HA -0.049 4.378 4.340 0.145 0.000 0.195 245 Q C -0.143 175.977 176.000 0.201 0.000 0.974 245 Q CA 1.987 57.860 55.803 0.117 0.000 0.826 245 Q CB 1.735 30.515 28.738 0.070 0.000 0.895 245 Q HN 0.274 8.506 8.270 -0.063 0.000 0.448 246 R N -6.435 114.152 120.500 0.144 0.000 2.690 246 R HA 0.546 5.169 4.340 0.322 -0.090 0.269 246 R C -2.644 173.727 176.300 0.119 0.000 1.037 246 R CA -0.665 55.545 56.100 0.183 0.000 0.877 246 R CB 3.641 34.003 30.300 0.103 0.000 1.255 246 R HN -0.865 7.428 8.270 0.038 0.000 0.467 247 I N 1.035 121.694 120.570 0.148 0.000 2.468 247 I HA 0.736 5.157 4.170 0.060 -0.215 0.285 247 I C -1.714 174.461 176.117 0.097 0.000 1.039 247 I CA -0.964 60.398 61.300 0.104 0.000 1.074 247 I CB 3.595 41.671 38.000 0.127 0.000 1.228 247 I HN 0.217 8.533 8.210 0.177 0.000 0.436 248 V N 7.900 127.872 119.914 0.097 0.000 2.357 248 V HA 0.253 4.434 4.120 0.101 0.000 0.284 248 V C -1.592 174.558 176.094 0.093 0.000 1.018 248 V CA -0.997 61.381 62.300 0.129 0.000 0.841 248 V CB 1.474 33.411 31.823 0.190 0.000 0.991 248 V HN 0.630 8.880 8.190 0.099 0.000 0.437 249 I N 8.760 129.343 120.570 0.021 0.000 2.297 249 I HA 0.139 4.219 4.170 -0.363 -0.128 0.291 249 I C -0.139 175.944 176.117 -0.056 0.000 1.033 249 I CA -0.345 60.871 61.300 -0.140 0.000 1.253 249 I CB 0.236 38.183 38.000 -0.088 0.000 1.396 249 I HN -0.013 8.123 8.210 0.051 0.104 0.476 250 F N 6.609 126.565 119.950 0.008 0.000 2.575 250 F HA 0.535 5.063 4.527 0.002 0.000 0.330 250 F C -1.560 174.242 175.800 0.002 0.000 1.056 250 F CA -2.703 55.299 58.000 0.004 0.000 0.964 250 F CB 2.411 41.412 39.000 0.002 0.000 1.258 250 F HN 0.219 7.779 8.300 -1.234 0.000 0.484 251 K N 0.547 121.076 120.400 0.215 0.000 2.478 251 K HA 0.198 4.557 4.320 0.065 0.000 0.236 251 K C -0.948 175.744 176.600 0.153 0.000 1.021 251 K CA -0.617 55.741 56.287 0.119 0.000 1.010 251 K CB 0.365 32.899 32.500 0.057 0.000 1.331 251 K HN 0.176 8.569 8.250 0.239 0.000 0.470 252 R N 3.987 124.607 120.500 0.200 0.000 2.487 252 R HA 0.168 4.566 4.340 0.097 0.000 0.288 252 R C -1.170 175.194 176.300 0.106 0.000 1.394 252 R CA -1.051 55.137 56.100 0.148 0.000 1.155 252 R CB -0.033 30.366 30.300 0.165 0.000 1.156 252 R HN -0.007 8.403 8.270 0.232 0.000 0.553 253 N N 0.043 118.780 118.700 0.062 0.000 2.735 253 N HA -0.257 4.501 4.740 0.029 0.000 0.248 253 N C -1.452 174.081 175.510 0.038 0.000 1.083 253 N CA 0.982 54.057 53.050 0.042 0.000 0.703 253 N CB -0.768 37.743 38.487 0.041 0.000 1.005 253 N HN 0.395 8.807 8.380 0.054 0.000 0.550 254 G N -5.200 103.618 108.800 0.031 0.000 2.634 254 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.568 254 G HA3 -0.152 3.815 3.960 0.011 0.000 0.568 254 G C -2.070 172.823 174.900 -0.011 0.000 1.495 254 G CA -0.640 44.465 45.100 0.008 0.000 0.903 254 G HN -0.668 7.633 8.290 0.035 0.011 0.646 255 I N 1.294 121.838 120.570 -0.043 0.000 3.076 255 I HA -0.398 3.717 4.170 -0.090 0.000 0.287 255 I C -1.135 174.890 176.117 -0.154 0.000 1.204 255 I CA -0.112 61.134 61.300 -0.090 0.000 1.370 255 I CB -1.321 36.629 38.000 -0.083 0.000 1.444 255 I HN 0.168 8.356 8.210 -0.038 0.000 0.549 256 Q N 6.594 126.218 119.800 -0.293 0.000 2.378 256 Q HA 0.608 4.865 4.340 -0.294 -0.094 0.276 256 Q C -1.624 173.786 176.000 -0.983 0.000 1.083 256 Q CA -1.626 53.871 55.803 -0.510 0.000 0.856 256 Q CB 4.884 33.416 28.738 -0.344 0.000 1.383 256 Q HN -0.144 7.957 8.270 -0.283 0.000 0.458 257 A N -1.040 121.280 122.820 -0.833 0.000 2.547 257 A HA 0.606 4.553 4.320 -0.953 -0.199 0.298 257 A C -2.479 175.001 177.584 -0.173 0.000 1.062 257 A CA 0.154 51.826 52.037 -0.609 0.000 0.748 257 A CB 3.325 22.148 19.000 -0.296 0.000 1.288 257 A HN 0.653 8.501 8.150 -0.505 0.000 0.396 258 M N 3.363 123.016 119.600 0.087 0.000 2.209 258 M HA 0.394 5.093 4.480 0.118 -0.149 0.355 258 M C -1.164 175.167 176.300 0.051 0.000 1.171 258 M CA -0.154 55.240 55.300 0.156 0.000 1.069 258 M CB 2.831 35.598 32.600 0.279 0.000 1.622 258 M HN 0.383 8.782 8.290 0.182 0.000 0.459 259 V N 3.170 123.073 119.914 -0.018 0.000 2.487 259 V HA 0.580 4.818 4.120 -0.096 -0.177 0.298 259 V C -1.557 174.392 176.094 -0.242 0.000 1.028 259 V CA -1.650 60.564 62.300 -0.144 0.000 0.860 259 V CB 2.326 34.014 31.823 -0.225 0.000 0.991 259 V HN 0.388 8.578 8.190 -0.000 0.000 0.427 260 E N 6.658 126.713 120.200 -0.242 0.000 2.222 260 E HA 0.394 4.832 4.350 -0.083 -0.137 0.272 260 E C -1.629 174.754 176.600 -0.361 0.000 0.982 260 E CA -2.328 53.966 56.400 -0.176 0.000 0.842 260 E CB 3.535 33.221 29.700 -0.024 0.000 1.144 260 E HN 0.203 8.460 8.360 -0.171 0.000 0.397 261 F N 1.709 121.699 119.950 0.066 0.000 2.579 261 F HA 0.311 4.868 4.527 0.050 0.000 0.324 261 F C 0.703 176.535 175.800 0.053 0.000 1.058 261 F CA -0.968 57.062 58.000 0.051 0.000 0.944 261 F CB 3.195 42.215 39.000 0.034 0.000 1.245 261 F HN -0.299 8.101 8.300 0.168 0.000 0.477 262 E N 0.846 121.211 120.200 0.275 0.000 2.045 262 E HA -0.377 4.211 4.350 0.136 -0.157 0.212 262 E C -0.190 176.493 176.600 0.138 0.000 1.039 262 E CA 3.153 59.651 56.400 0.163 0.000 0.860 262 E CB 0.505 30.282 29.700 0.128 0.000 0.776 262 E HN 0.616 9.180 8.360 0.341 0.000 0.467 263 S N -5.592 110.187 115.700 0.132 0.000 2.740 263 S HA 0.139 4.670 4.470 0.101 0.000 0.300 263 S C 0.376 175.041 174.600 0.109 0.000 1.147 263 S CA -1.214 57.046 58.200 0.101 0.000 0.871 263 S CB 2.202 65.440 63.200 0.063 0.000 1.173 263 S HN -0.465 7.926 8.310 0.135 0.000 0.510 264 V N 2.883 122.850 119.914 0.089 0.000 2.261 264 V HA -0.274 3.931 4.120 0.141 0.000 0.246 264 V C 1.552 177.683 176.094 0.062 0.000 1.047 264 V CA 3.032 65.389 62.300 0.096 0.000 1.015 264 V CB -0.374 31.491 31.823 0.069 0.000 0.642 264 V HN 0.582 8.816 8.190 0.074 0.000 0.446 265 L N 0.007 121.248 121.223 0.030 0.000 1.997 265 L HA -0.342 4.001 4.340 0.006 0.000 0.227 265 L C 1.368 178.211 176.870 -0.046 0.000 1.087 265 L CA 3.464 58.304 54.840 -0.001 0.000 0.797 265 L CB -0.735 41.321 42.059 -0.005 0.000 0.902 265 L HN -0.224 8.026 8.230 0.033 0.000 0.441 266 C N -2.668 116.588 119.300 -0.074 0.000 2.391 266 C HA -0.546 3.794 4.460 -0.199 0.000 0.276 266 C C 1.475 176.240 174.990 -0.376 0.000 1.217 266 C CA 4.747 63.639 59.018 -0.210 0.000 1.766 266 C CB -0.788 26.841 27.740 -0.185 0.000 2.046 266 C HN 0.184 8.396 8.230 -0.031 0.000 0.475 267 A N -1.262 121.429 122.820 -0.216 0.000 1.908 267 A HA -0.408 3.673 4.320 -0.399 0.000 0.218 267 A C 2.078 179.599 177.584 -0.105 0.000 1.181 267 A CA 3.155 55.105 52.037 -0.145 0.000 0.627 267 A CB -1.033 18.073 19.000 0.175 0.000 0.818 267 A HN 0.021 8.035 8.150 -0.058 0.101 0.445 268 Q N -1.362 118.429 119.800 -0.014 0.000 2.014 268 Q HA -0.409 4.000 4.340 0.114 0.000 0.207 268 Q C 3.010 178.976 176.000 -0.058 0.000 0.993 268 Q CA 3.219 59.036 55.803 0.024 0.000 0.850 268 Q CB -0.163 28.594 28.738 0.033 0.000 0.916 268 Q HN -0.271 7.898 8.270 0.002 0.102 0.417 269 K N -0.941 119.394 120.400 -0.108 0.000 1.985 269 K HA -0.337 3.934 4.320 -0.081 0.000 0.210 269 K C 2.291 178.790 176.600 -0.170 0.000 1.047 269 K CA 2.916 59.130 56.287 -0.123 0.000 0.932 269 K CB -0.214 32.208 32.500 -0.130 0.000 0.716 269 K HN -0.798 7.384 8.250 -0.112 0.000 0.439 270 A N -0.726 121.912 122.820 -0.304 0.000 1.903 270 A HA -0.461 3.703 4.320 -0.259 0.000 0.219 270 A C 1.630 179.112 177.584 -0.171 0.000 1.191 270 A CA 3.478 55.306 52.037 -0.347 0.000 0.638 270 A CB -0.917 17.541 19.000 -0.904 0.000 0.823 270 A HN 0.348 8.270 8.150 -0.380 0.000 0.451 271 K N -1.899 118.406 120.400 -0.158 0.000 2.044 271 K HA -0.388 3.884 4.320 -0.081 0.000 0.210 271 K C 1.968 178.523 176.600 -0.075 0.000 1.049 271 K CA 3.298 59.518 56.287 -0.110 0.000 0.927 271 K CB -0.089 32.309 32.500 -0.170 0.000 0.713 271 K HN 0.259 8.272 8.250 -0.206 0.114 0.443 272 A N -1.335 121.445 122.820 -0.066 0.000 1.828 272 A HA -0.184 4.117 4.320 -0.032 0.000 0.215 272 A C 2.472 180.031 177.584 -0.042 0.000 1.203 272 A CA 2.608 54.619 52.037 -0.043 0.000 0.614 272 A CB -1.103 17.876 19.000 -0.035 0.000 0.844 272 A HN -0.612 7.416 8.150 -0.076 0.076 0.445 273 A N -1.974 120.813 122.820 -0.054 0.000 2.023 273 A HA -0.354 3.941 4.320 -0.040 0.000 0.223 273 A C 1.514 179.077 177.584 -0.034 0.000 1.180 273 A CA 2.668 54.676 52.037 -0.048 0.000 0.659 273 A CB -0.294 18.667 19.000 -0.065 0.000 0.817 273 A HN -0.244 7.865 8.150 -0.068 0.000 0.466 274 L N -5.578 115.627 121.223 -0.030 0.000 2.354 274 L HA -0.041 4.295 4.340 -0.007 0.000 0.212 274 L C 0.334 177.198 176.870 -0.010 0.000 1.091 274 L CA 0.412 55.246 54.840 -0.010 0.000 0.828 274 L CB 0.298 42.364 42.059 0.012 0.000 0.973 274 L HN -0.205 7.969 8.230 -0.043 0.030 0.461 275 N N -0.374 118.314 118.700 -0.020 0.000 2.411 275 N HA -0.308 4.421 4.740 -0.017 0.000 0.282 275 N C 0.843 176.349 175.510 -0.008 0.000 1.322 275 N CA 1.819 54.859 53.050 -0.017 0.000 0.943 275 N CB -0.326 38.148 38.487 -0.021 0.000 1.266 275 N HN -0.171 7.962 8.380 -0.030 0.229 0.486 276 G N 3.631 112.430 108.800 -0.002 0.000 2.137 276 G HA2 -0.376 3.588 3.960 0.007 0.000 0.237 276 G HA3 -0.376 3.585 3.960 0.002 0.000 0.237 276 G C -0.705 174.198 174.900 0.005 0.000 1.002 276 G CA 0.252 45.354 45.100 0.004 0.000 0.702 276 G HN -0.251 8.038 8.290 -0.001 0.000 0.515 277 A N 1.479 124.302 122.820 0.005 0.000 2.671 277 A HA 0.120 4.441 4.320 0.002 0.000 0.306 277 A C -0.548 177.048 177.584 0.020 0.000 1.473 277 A CA -1.016 51.025 52.037 0.006 0.000 1.155 277 A CB -0.260 18.741 19.000 0.001 0.000 1.123 277 A HN -0.061 7.970 8.150 0.004 0.122 0.545 278 D N 3.051 123.464 120.400 0.023 0.000 2.487 278 D HA -0.188 4.484 4.640 0.053 0.000 0.243 278 D C -0.526 175.806 176.300 0.052 0.000 1.154 278 D CA 0.618 54.643 54.000 0.042 0.000 0.876 278 D CB 0.107 40.928 40.800 0.034 0.000 1.161 278 D HN -0.398 7.981 8.370 0.015 0.000 0.478 279 I N 1.323 121.959 120.570 0.110 0.000 3.039 279 I HA 0.020 4.225 4.170 0.059 0.000 0.270 279 I C 0.312 176.518 176.117 0.148 0.000 1.150 279 I CA 1.543 62.933 61.300 0.150 0.000 1.448 279 I CB 1.160 39.318 38.000 0.263 0.000 1.197 279 I HN 0.353 8.641 8.210 0.130 0.000 0.450 280 Y N -1.907 118.384 120.300 -0.015 0.000 2.650 280 Y HA 0.121 4.637 4.550 -0.057 0.000 0.331 280 Y C -0.493 175.403 175.900 -0.007 0.000 1.082 280 Y CA -1.750 56.333 58.100 -0.029 0.000 1.171 280 Y CB 1.771 40.216 38.460 -0.025 0.000 1.326 280 Y HN -0.815 7.673 8.280 0.346 0.000 0.513 281 A N 0.824 123.722 122.820 0.130 0.000 2.513 281 A HA -0.138 4.208 4.320 0.043 0.000 0.274 281 A C 0.866 178.515 177.584 0.108 0.000 1.115 281 A CA 1.023 53.110 52.037 0.084 0.000 0.792 281 A CB -0.806 18.233 19.000 0.065 0.000 1.053 281 A HN 0.325 8.539 8.150 0.107 0.000 0.515 282 G N 1.965 110.811 108.800 0.076 0.000 2.424 282 G HA2 -0.299 3.693 3.960 0.054 0.000 0.290 282 G HA3 -0.299 3.693 3.960 0.054 0.000 0.290 282 G C -0.845 174.104 174.900 0.082 0.000 0.912 282 G CA 0.616 45.755 45.100 0.066 0.000 1.142 282 G HN 0.430 8.755 8.290 0.057 0.000 0.501 283 C N -5.116 114.247 119.300 0.106 0.000 3.216 283 C HA 0.079 4.577 4.460 0.064 0.000 0.346 283 C C -1.675 173.375 174.990 0.099 0.000 1.384 283 C CA -1.252 57.826 59.018 0.099 0.000 1.208 283 C CB 2.203 30.023 27.740 0.133 0.000 1.483 283 C HN -0.536 7.767 8.230 0.117 -0.004 0.453 284 C N -0.853 118.470 119.300 0.038 0.000 4.350 284 C HA -0.373 4.148 4.460 -0.035 -0.082 0.302 284 C C -0.462 174.547 174.990 0.032 0.000 1.390 284 C CA 1.405 60.420 59.018 -0.005 0.000 2.016 284 C CB -2.297 25.383 27.740 -0.100 0.000 1.271 284 C HN 0.489 8.733 8.230 0.023 0.000 0.760 285 T N 0.031 114.602 114.554 0.029 0.000 2.930 285 T HA -0.089 4.285 4.350 0.041 0.000 0.306 285 T C -0.785 173.923 174.700 0.015 0.000 1.045 285 T CA 2.966 65.084 62.100 0.029 0.000 1.134 285 T CB 1.058 69.939 68.868 0.023 0.000 0.961 285 T HN -0.691 7.555 8.240 0.024 0.008 0.545 286 L N 5.231 126.464 121.223 0.016 0.000 2.290 286 L HA 0.076 4.417 4.340 0.001 0.000 0.284 286 L C -1.202 175.669 176.870 0.002 0.000 1.078 286 L CA -0.250 54.594 54.840 0.007 0.000 0.815 286 L CB 0.258 42.324 42.059 0.012 0.000 1.162 286 L HN 0.488 8.731 8.230 0.022 0.000 0.435 287 K N 4.645 125.044 120.400 -0.003 0.000 2.499 287 K HA 0.245 4.565 4.320 -0.001 0.000 0.215 287 K C -1.011 175.585 176.600 -0.006 0.000 1.041 287 K CA -1.785 54.501 56.287 -0.002 0.000 1.031 287 K CB 0.492 32.993 32.500 0.003 0.000 1.479 287 K HN -0.092 8.063 8.250 -0.007 0.090 0.518 288 I N 4.707 125.267 120.570 -0.018 0.000 2.634 288 I HA -0.222 4.073 4.170 -0.025 -0.140 0.284 288 I C -0.281 175.806 176.117 -0.051 0.000 1.124 288 I CA 1.049 62.325 61.300 -0.040 0.000 1.417 288 I CB 0.687 38.645 38.000 -0.070 0.000 1.396 288 I HN 0.138 8.337 8.210 -0.018 0.000 0.571 289 E N 3.914 124.083 120.200 -0.052 0.000 2.404 289 E HA 0.147 4.484 4.350 -0.021 0.000 0.298 289 E C -0.977 175.639 176.600 0.027 0.000 0.908 289 E CA -1.654 54.741 56.400 -0.009 0.000 0.808 289 E CB 3.051 32.777 29.700 0.044 0.000 1.380 289 E HN -0.178 8.070 8.360 -0.045 0.085 0.392 290 Y N 2.633 122.969 120.300 0.059 0.000 2.759 290 Y HA -0.311 4.283 4.550 0.073 0.000 0.397 290 Y C 0.353 176.287 175.900 0.057 0.000 1.338 290 Y CA 1.034 59.171 58.100 0.061 0.000 1.731 290 Y CB -1.473 37.016 38.460 0.048 0.000 1.189 290 Y HN 0.448 8.690 8.280 -0.063 0.000 0.495 291 A N 4.254 127.187 122.820 0.188 0.000 2.455 291 A HA -0.175 4.216 4.320 0.119 0.000 0.244 291 A C -0.245 177.413 177.584 0.122 0.000 1.099 291 A CA 0.442 52.560 52.037 0.136 0.000 0.786 291 A CB 0.836 19.906 19.000 0.117 0.000 1.051 291 A HN -0.515 7.776 8.150 0.166 -0.042 0.508 292 R N -0.016 120.531 120.500 0.078 0.000 2.055 292 R HA -0.043 4.332 4.340 0.059 0.000 0.228 292 R C -0.896 175.433 176.300 0.048 0.000 1.143 292 R CA 2.224 58.357 56.100 0.054 0.000 0.945 292 R CB -1.857 28.462 30.300 0.030 0.000 0.841 292 R HN 0.308 8.618 8.270 0.067 0.000 0.429 293 P HA 0.179 4.615 4.420 0.026 0.000 0.274 293 P C -1.153 176.178 177.300 0.052 0.000 1.246 293 P CA -0.194 62.926 63.100 0.033 0.000 0.795 293 P CB 0.764 32.473 31.700 0.015 0.000 1.006 294 T N -6.255 108.326 114.554 0.046 0.000 3.023 294 T HA -0.027 4.370 4.350 0.078 0.000 0.249 294 T C -0.024 174.708 174.700 0.055 0.000 1.050 294 T CA 0.157 62.292 62.100 0.059 0.000 1.088 294 T CB 0.734 69.632 68.868 0.050 0.000 0.946 294 T HN -0.094 8.166 8.240 0.034 0.000 0.480 295 R N 1.069 121.592 120.500 0.039 0.000 2.589 295 R HA 0.102 4.467 4.340 0.041 0.000 0.293 295 R C -1.373 174.943 176.300 0.027 0.000 0.963 295 R CA -0.990 55.130 56.100 0.034 0.000 0.905 295 R CB 2.169 32.485 30.300 0.026 0.000 1.144 295 R HN -0.580 7.710 8.270 0.032 0.000 0.459 296 L N 2.989 124.230 121.223 0.028 0.000 2.347 296 L HA 0.233 4.584 4.340 0.018 0.000 0.268 296 L C -1.594 175.284 176.870 0.014 0.000 1.019 296 L CA -1.382 53.473 54.840 0.025 0.000 0.806 296 L CB 2.005 44.090 42.059 0.042 0.000 1.339 296 L HN 0.178 8.427 8.230 0.032 0.000 0.463 297 N N -0.697 118.009 118.700 0.009 0.000 2.260 297 N HA 0.097 4.834 4.740 -0.005 0.000 0.293 297 N C -1.412 174.097 175.510 -0.001 0.000 1.058 297 N CA -0.039 53.009 53.050 -0.003 0.000 0.824 297 N CB 1.804 40.283 38.487 -0.013 0.000 1.551 297 N HN 0.039 8.428 8.380 0.016 0.000 0.475 298 V N 4.463 124.366 119.914 -0.018 0.000 2.385 298 V HA 0.208 4.318 4.120 -0.017 0.000 0.277 298 V C -0.053 176.009 176.094 -0.053 0.000 1.012 298 V CA -1.338 60.943 62.300 -0.032 0.000 0.832 298 V CB 0.450 32.244 31.823 -0.047 0.000 1.028 298 V HN 0.263 8.439 8.190 -0.023 0.000 0.436 299 I N 5.332 125.875 120.570 -0.045 0.000 2.091 299 I HA -0.348 3.794 4.170 -0.046 0.000 0.239 299 I C 0.035 176.106 176.117 -0.077 0.000 1.061 299 I CA 2.034 63.303 61.300 -0.052 0.000 1.317 299 I CB 0.337 38.313 38.000 -0.041 0.000 1.031 299 I HN 0.408 8.599 8.210 -0.031 0.000 0.401 300 R N -3.252 117.191 120.500 -0.096 0.000 2.885 300 R HA 0.165 4.418 4.340 -0.146 0.000 0.260 300 R C -2.290 173.889 176.300 -0.202 0.000 1.107 300 R CA -1.454 54.563 56.100 -0.139 0.000 0.978 300 R CB 2.091 32.320 30.300 -0.119 0.000 1.227 300 R HN -0.422 7.799 8.270 -0.082 0.000 0.473 301 N N 0.976 119.497 118.700 -0.298 0.000 2.437 301 N HA 0.415 5.030 4.740 -0.464 -0.154 0.259 301 N C -1.487 173.761 175.510 -0.438 0.000 0.983 301 N CA -0.464 52.290 53.050 -0.494 0.000 0.937 301 N CB 0.881 38.913 38.487 -0.758 0.000 1.122 301 N HN 0.174 8.390 8.380 -0.273 0.000 0.499 302 D N 2.643 122.854 120.400 -0.315 0.000 2.665 302 D HA 0.139 4.663 4.640 -0.194 0.000 0.287 302 D C -0.781 175.528 176.300 0.016 0.000 1.266 302 D CA -1.343 52.565 54.000 -0.153 0.000 0.830 302 D CB 2.389 43.133 40.800 -0.093 0.000 1.356 302 D HN 0.247 8.455 8.370 -0.270 0.000 0.437 303 N N -1.568 117.178 118.700 0.077 0.000 2.133 303 N HA -0.355 4.511 4.740 0.209 0.000 0.193 303 N C 1.025 176.591 175.510 0.093 0.000 1.012 303 N CA 3.116 56.241 53.050 0.125 0.000 0.871 303 N CB 0.153 38.689 38.487 0.081 0.000 1.011 303 N HN 0.172 8.578 8.380 0.043 0.000 0.435 304 D N -3.021 117.409 120.400 0.050 0.000 2.088 304 D HA -0.257 4.402 4.640 0.032 0.000 0.191 304 D C -0.062 176.270 176.300 0.054 0.000 0.992 304 D CA 2.933 56.957 54.000 0.039 0.000 0.831 304 D CB 0.299 41.115 40.800 0.027 0.000 0.973 304 D HN -0.463 7.912 8.370 0.031 0.014 0.447 305 S N -3.344 112.382 115.700 0.045 0.000 2.557 305 S HA 0.716 5.453 4.470 0.086 -0.216 0.291 305 S C -1.737 172.886 174.600 0.039 0.000 1.116 305 S CA -1.568 56.664 58.200 0.055 0.000 0.992 305 S CB 3.044 66.266 63.200 0.035 0.000 1.028 305 S HN -0.453 7.866 8.310 0.014 0.000 0.484 306 W N 4.093 125.307 121.300 -0.143 0.000 2.736 306 W HA 0.336 4.844 4.660 -0.253 0.000 0.335 306 W C -2.606 173.727 176.519 -0.311 0.000 1.059 306 W CA -0.478 56.695 57.345 -0.285 0.000 1.226 306 W CB 4.038 33.227 29.460 -0.452 0.000 1.416 306 W HN 0.491 8.774 8.180 0.171 0.000 0.505 307 D N 6.140 126.468 120.400 -0.120 0.000 2.461 307 D HA 0.184 4.858 4.640 0.057 0.000 0.240 307 D C -0.929 175.394 176.300 0.038 0.000 1.094 307 D CA -1.872 52.108 54.000 -0.033 0.000 0.868 307 D CB 1.195 41.918 40.800 -0.129 0.000 1.062 307 D HN 0.216 8.256 8.370 -0.550 0.000 0.530 308 Y N 4.700 125.125 120.300 0.208 0.000 2.184 308 Y HA -0.322 4.355 4.550 0.211 0.000 0.290 308 Y C 1.465 177.399 175.900 0.057 0.000 1.129 308 Y CA 2.584 60.761 58.100 0.128 0.000 1.144 308 Y CB 0.325 38.798 38.460 0.022 0.000 0.995 308 Y HN -0.188 8.270 8.280 0.297 0.000 0.513 309 T N -3.928 110.745 114.554 0.199 0.000 2.684 309 T HA -0.399 4.031 4.350 0.134 0.000 0.267 309 T C 0.461 175.163 174.700 0.004 0.000 1.032 309 T CA 2.994 65.156 62.100 0.104 0.000 1.155 309 T CB 0.152 69.064 68.868 0.072 0.000 0.857 309 T HN -0.527 7.856 8.240 0.238 0.000 0.457 310 K N 0.752 121.070 120.400 -0.137 0.000 2.592 310 K HA 0.304 4.237 4.320 -0.645 0.000 0.212 310 K C -2.109 174.207 176.600 -0.473 0.000 1.013 310 K CA -3.091 52.886 56.287 -0.517 0.000 1.034 310 K CB 0.959 33.102 32.500 -0.595 0.000 1.292 310 K HN -0.209 7.980 8.250 -0.084 0.010 0.521 311 P HA 0.053 4.437 4.420 -0.059 0.000 0.245 311 P C -1.556 175.710 177.300 -0.057 0.000 1.212 311 P CA 0.200 63.262 63.100 -0.063 0.000 0.774 311 P CB 0.588 32.364 31.700 0.126 0.000 0.999 312 Y N -4.870 115.432 120.300 0.003 0.000 2.504 312 Y HA 0.160 4.702 4.550 -0.013 0.000 0.339 312 Y C -2.357 173.522 175.900 -0.035 0.000 0.974 312 Y CA -1.610 56.483 58.100 -0.011 0.000 1.232 312 Y CB -0.956 37.506 38.460 0.003 0.000 1.108 312 Y HN -0.810 6.857 8.280 -0.899 0.073 0.509 313 L N 2.286 123.511 121.223 0.002 0.000 2.769 313 L HA 0.248 4.580 4.340 -0.014 0.000 0.175 313 L C 1.143 178.005 176.870 -0.014 0.000 1.099 313 L CA 0.259 55.074 54.840 -0.042 0.000 0.876 313 L CB 1.389 43.364 42.059 -0.140 0.000 1.498 313 L HN -0.006 8.226 8.230 0.004 0.000 0.499 314 G N -0.573 108.206 108.800 -0.035 0.000 2.504 314 G HA2 0.187 4.135 3.960 -0.019 0.000 0.326 314 G HA3 0.187 4.120 3.960 -0.045 0.000 0.326 314 G C 0.370 175.268 174.900 -0.003 0.000 1.073 314 G CA -0.474 44.611 45.100 -0.026 0.000 1.030 314 G HN -0.030 8.224 8.290 -0.060 0.000 0.448 315 R N 4.657 125.163 120.500 0.011 0.000 3.907 315 R HA 0.044 4.397 4.340 0.022 0.000 0.241 315 R C 0.051 176.355 176.300 0.006 0.000 1.784 315 R CA -0.627 55.482 56.100 0.015 0.000 1.509 315 R CB -1.360 28.952 30.300 0.019 0.000 1.275 315 R HN 0.427 8.704 8.270 0.011 0.000 0.642 316 R N 0.000 120.499 120.500 -0.001 0.000 2.786 316 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 316 R CA 0.000 56.098 56.100 -0.003 0.000 0.921 316 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 316 R HN 0.000 8.149 8.270 -0.005 0.118 0.535