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 2dnl_1_A DATA FIRST_RESID 419 DATA SEQUENCE GSSGSSGSRK VFVGGLPPDI DEDEITASFR RFGPLVVDWP HKAESKSYFP DATA SEQUENCE PKGYAFLLFQ EESSVQALID ACLEEDGKLY LCVSSPTIKD KPVQIRPWNL DATA SEQUENCE SDSDFVMDSG PSSG 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 419 G HA2 0.000 nan 3.960 nan 0.000 0.244 419 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 419 G C 0.000 174.904 174.900 0.006 0.000 0.946 419 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 420 S N -0.000 115.707 115.700 0.012 0.000 2.578 420 S HA 0.043 4.534 4.470 0.035 0.000 0.285 420 S C -1.468 173.153 174.600 0.035 0.000 1.126 420 S CA -0.466 57.751 58.200 0.029 0.000 0.878 420 S CB 2.024 65.242 63.200 0.030 0.000 1.091 420 S HN 0.017 8.333 8.310 0.009 0.000 0.450 421 S N 2.915 118.654 115.700 0.065 0.000 2.566 421 S HA 0.318 4.810 4.470 0.037 0.000 0.324 421 S C -0.825 173.828 174.600 0.088 0.000 1.081 421 S CA -0.213 58.027 58.200 0.067 0.000 1.105 421 S CB 1.448 64.691 63.200 0.073 0.000 0.981 421 S HN 0.149 8.513 8.310 0.090 0.000 0.464 422 G N 2.215 111.020 108.800 0.009 0.000 2.613 422 G HA2 0.113 4.008 3.960 -0.107 0.000 0.208 422 G HA3 0.113 3.992 3.960 -0.135 0.000 0.208 422 G C 0.138 174.989 174.900 -0.082 0.000 1.318 422 G CA 0.722 45.773 45.100 -0.082 0.000 0.559 422 G HN 0.437 8.727 8.290 -0.000 0.000 1.015 423 S N 0.000 115.667 115.700 -0.055 0.000 2.510 423 S HA -0.165 4.272 4.470 -0.056 0.000 0.230 423 S C 1.919 176.506 174.600 -0.022 0.000 1.066 423 S CA 0.985 59.157 58.200 -0.047 0.000 0.941 423 S CB -0.069 63.101 63.200 -0.051 0.000 0.829 423 S HN -0.168 8.116 8.310 -0.045 0.000 0.530 424 S N 2.209 117.901 115.700 -0.013 0.000 2.393 424 S HA -0.197 4.269 4.470 -0.006 0.000 0.234 424 S C 0.470 175.073 174.600 0.006 0.000 1.064 424 S CA 1.815 60.014 58.200 -0.002 0.000 1.088 424 S CB 0.398 63.600 63.200 0.004 0.000 0.939 424 S HN 0.077 8.378 8.310 -0.015 0.000 0.448 425 G N -0.204 108.605 108.800 0.015 0.000 2.823 425 G HA2 -0.127 3.845 3.960 0.020 0.000 0.235 425 G HA3 -0.127 3.846 3.960 0.022 0.000 0.235 425 G C -2.064 172.865 174.900 0.049 0.000 3.696 425 G CA -0.537 44.578 45.100 0.025 0.000 0.652 425 G HN -0.296 8.002 8.290 0.017 0.003 0.431 426 S N 1.772 117.515 115.700 0.071 0.000 2.465 426 S HA 0.165 4.698 4.470 0.104 0.000 0.279 426 S C 0.497 175.176 174.600 0.132 0.000 1.201 426 S CA -0.574 57.699 58.200 0.122 0.000 1.053 426 S CB 0.640 63.966 63.200 0.210 0.000 0.953 426 S HN -0.013 8.331 8.310 0.056 0.000 0.488 427 R N 4.969 125.544 120.500 0.124 0.000 2.115 427 R HA -0.159 4.244 4.340 0.105 0.000 0.226 427 R C 0.976 177.400 176.300 0.207 0.000 1.100 427 R CA 1.407 57.592 56.100 0.142 0.000 0.980 427 R CB 0.178 30.568 30.300 0.151 0.000 0.875 427 R HN 0.445 8.780 8.270 0.109 0.000 0.445 428 K N -0.157 120.363 120.400 0.201 0.000 2.611 428 K HA -0.196 4.474 4.320 0.208 -0.225 0.280 428 K C -0.841 175.959 176.600 0.333 0.000 0.964 428 K CA 1.264 57.687 56.287 0.227 0.000 1.029 428 K CB 0.332 32.893 32.500 0.101 0.000 0.862 428 K HN -0.435 7.895 8.250 0.160 0.016 0.501 429 V N 2.308 122.448 119.914 0.376 0.000 2.623 429 V HA 0.146 4.489 4.120 0.371 0.000 0.304 429 V C -1.733 174.603 176.094 0.403 0.000 1.054 429 V CA -1.407 61.105 62.300 0.353 0.000 0.882 429 V CB 3.012 34.971 31.823 0.227 0.000 1.002 429 V HN -0.032 8.371 8.190 0.356 0.000 0.424 430 F N 9.187 129.267 119.950 0.217 0.000 2.420 430 F HA 0.357 4.599 4.527 -0.474 0.000 0.352 430 F C -1.724 174.003 175.800 -0.122 0.000 1.108 430 F CA -2.261 55.694 58.000 -0.075 0.000 1.162 430 F CB 1.876 40.941 39.000 0.109 0.000 1.118 430 F HN 0.048 8.565 8.300 0.530 0.102 0.510 431 V N 7.852 127.465 119.914 -0.502 0.000 2.487 431 V HA 0.832 4.934 4.120 -0.435 -0.243 0.298 431 V C -1.366 174.362 176.094 -0.609 0.000 1.028 431 V CA -1.846 60.164 62.300 -0.484 0.000 0.860 431 V CB 2.622 34.301 31.823 -0.241 0.000 0.991 431 V HN 0.585 8.593 8.190 -0.303 0.000 0.427 432 G N 3.594 112.086 108.800 -0.513 0.000 2.737 432 G HA2 0.522 4.535 3.960 -0.147 0.000 0.290 432 G HA3 0.522 4.237 3.960 -0.409 0.000 0.290 432 G C -1.087 173.762 174.900 -0.086 0.000 1.482 432 G CA -0.753 44.168 45.100 -0.299 0.000 1.017 432 G HN 0.193 8.130 8.290 -0.417 0.103 0.529 433 G N 3.496 112.287 108.800 -0.013 0.000 2.370 433 G HA2 -0.233 3.740 3.960 0.022 0.000 0.174 433 G HA3 -0.233 3.743 3.960 0.027 0.000 0.174 433 G C -1.114 173.794 174.900 0.014 0.000 1.002 433 G CA -0.085 45.023 45.100 0.015 0.000 0.730 433 G HN 0.651 8.834 8.290 0.002 0.108 0.497 434 L N 1.318 122.541 121.223 -0.001 0.000 2.543 434 L HA -0.095 4.265 4.340 0.034 0.000 0.285 434 L C -1.246 175.618 176.870 -0.009 0.000 1.236 434 L CA -0.790 54.050 54.840 -0.001 0.000 0.871 434 L CB -0.853 41.180 42.059 -0.043 0.000 1.121 434 L HN -0.834 7.388 8.230 -0.014 0.000 0.501 435 P HA 0.027 4.449 4.420 0.004 0.000 0.267 435 P C -1.235 176.063 177.300 -0.004 0.000 1.195 435 P CA -0.479 62.624 63.100 0.005 0.000 0.773 435 P CB -0.404 31.306 31.700 0.017 0.000 0.837 436 P HA 0.026 4.423 4.420 -0.039 0.000 0.245 436 P C -1.615 175.682 177.300 -0.004 0.000 1.212 436 P CA 1.291 64.376 63.100 -0.025 0.000 0.774 436 P CB 0.193 31.870 31.700 -0.038 0.000 0.999 437 D N -1.921 118.501 120.400 0.036 0.000 2.819 437 D HA 0.169 4.881 4.640 0.120 0.000 0.326 437 D C -1.867 174.504 176.300 0.120 0.000 1.408 437 D CA -0.450 53.602 54.000 0.086 0.000 0.811 437 D CB 0.289 41.117 40.800 0.047 0.000 1.148 437 D HN 0.004 8.310 8.370 0.027 0.080 0.457 438 I N -0.954 119.685 120.570 0.114 0.000 2.750 438 I HA 0.253 4.457 4.170 0.056 0.000 0.308 438 I C -2.472 173.659 176.117 0.024 0.000 1.016 438 I CA -1.040 60.296 61.300 0.058 0.000 1.098 438 I CB 2.411 40.421 38.000 0.016 0.000 1.279 438 I HN -0.877 7.400 8.210 0.112 0.000 0.454 439 D N 2.159 122.533 120.400 -0.043 0.000 2.654 439 D HA 0.315 4.826 4.640 -0.215 0.000 0.255 439 D C -0.292 175.936 176.300 -0.120 0.000 1.101 439 D CA -1.719 52.199 54.000 -0.137 0.000 1.116 439 D CB 2.657 43.361 40.800 -0.160 0.000 1.348 439 D HN -0.347 8.010 8.370 -0.020 0.000 0.609 440 E N -0.687 119.455 120.200 -0.097 0.000 2.000 440 E HA -0.492 3.890 4.350 0.054 0.000 0.199 440 E C 1.922 178.545 176.600 0.039 0.000 1.011 440 E CA 3.967 60.397 56.400 0.051 0.000 0.836 440 E CB 0.171 29.999 29.700 0.213 0.000 0.778 440 E HN 0.457 8.736 8.360 -0.134 0.000 0.462 441 D N -1.413 118.990 120.400 0.005 0.000 2.230 441 D HA -0.369 4.284 4.640 0.022 0.000 0.189 441 D C 2.429 178.745 176.300 0.026 0.000 1.006 441 D CA 3.204 57.208 54.000 0.007 0.000 0.853 441 D CB -0.400 40.385 40.800 -0.025 0.000 0.959 441 D HN -0.008 8.331 8.370 -0.027 0.015 0.449 442 E N -1.464 118.742 120.200 0.010 0.000 2.113 442 E HA -0.421 3.945 4.350 0.027 0.000 0.210 442 E C 2.639 179.284 176.600 0.075 0.000 1.040 442 E CA 2.935 59.353 56.400 0.029 0.000 0.847 442 E CB -0.461 29.248 29.700 0.015 0.000 0.755 442 E HN -0.056 8.672 8.360 -0.016 -0.378 0.459 443 I N -2.003 118.617 120.570 0.084 0.000 2.194 443 I HA -0.515 3.783 4.170 0.215 0.000 0.246 443 I C 2.055 178.316 176.117 0.240 0.000 1.093 443 I CA 3.634 65.033 61.300 0.164 0.000 1.355 443 I CB -0.454 37.605 38.000 0.099 0.000 1.046 443 I HN -0.262 7.905 8.210 0.042 0.068 0.413 444 T N 1.724 116.365 114.554 0.144 0.000 2.622 444 T HA -0.504 3.919 4.350 0.121 0.000 0.266 444 T C 1.815 176.616 174.700 0.168 0.000 1.047 444 T CA 4.540 66.718 62.100 0.130 0.000 1.159 444 T CB -0.384 68.522 68.868 0.064 0.000 0.863 444 T HN -0.376 7.819 8.240 0.102 0.107 0.422 445 A N 1.082 123.969 122.820 0.111 0.000 1.927 445 A HA -0.313 4.053 4.320 0.076 0.000 0.220 445 A C 2.737 180.378 177.584 0.093 0.000 1.185 445 A CA 3.019 55.106 52.037 0.084 0.000 0.639 445 A CB -1.072 17.954 19.000 0.044 0.000 0.820 445 A HN -0.188 8.013 8.150 0.085 0.000 0.451 446 S N -1.703 114.068 115.700 0.117 0.000 2.419 446 S HA -0.249 4.196 4.470 -0.043 0.000 0.235 446 S C 0.408 174.969 174.600 -0.064 0.000 1.019 446 S CA 3.429 61.639 58.200 0.017 0.000 0.982 446 S CB 0.376 63.608 63.200 0.052 0.000 0.789 446 S HN -0.300 8.086 8.310 0.145 0.010 0.490 447 F N -3.837 116.263 119.950 0.250 0.000 2.735 447 F HA 0.230 5.248 4.527 0.819 0.000 0.308 447 F C -0.624 175.444 175.800 0.445 0.000 1.112 447 F CA -0.678 57.612 58.000 0.484 0.000 1.235 447 F CB 0.712 39.911 39.000 0.332 0.000 1.027 447 F HN -0.192 8.202 8.300 0.437 0.168 0.528 448 R N 1.453 122.156 120.500 0.338 0.000 2.062 448 R HA -0.058 4.424 4.340 0.238 0.000 0.226 448 R C 1.927 178.336 176.300 0.182 0.000 1.125 448 R CA 1.735 57.968 56.100 0.223 0.000 0.966 448 R CB 0.213 30.581 30.300 0.114 0.000 0.861 448 R HN -0.368 7.841 8.270 0.240 0.205 0.433 449 R N -0.915 119.603 120.500 0.030 0.000 2.159 449 R HA -0.360 3.938 4.340 -0.071 0.000 0.249 449 R C 2.196 178.447 176.300 -0.081 0.000 1.136 449 R CA 2.755 58.776 56.100 -0.131 0.000 0.951 449 R CB -1.387 28.690 30.300 -0.371 0.000 0.876 449 R HN -0.543 7.733 8.270 0.010 0.000 0.440 450 F N -2.860 117.187 119.950 0.161 0.000 2.154 450 F HA -0.268 4.317 4.527 0.097 0.000 0.301 450 F C 0.099 176.017 175.800 0.196 0.000 1.087 450 F CA 1.858 59.961 58.000 0.172 0.000 1.274 450 F CB 0.121 39.261 39.000 0.233 0.000 1.009 450 F HN -0.352 7.887 8.300 -0.104 -0.001 0.485 451 G N -4.833 104.235 108.800 0.447 0.000 2.350 451 G HA2 -0.077 4.010 3.960 0.212 0.000 0.305 451 G HA3 -0.077 4.079 3.960 0.326 0.000 0.305 451 G C -3.201 171.883 174.900 0.306 0.000 1.479 451 G CA -0.991 44.303 45.100 0.323 0.000 0.949 451 G HN -0.630 7.840 8.290 0.502 0.121 0.651 452 P HA -0.054 4.413 4.420 0.079 0.000 0.258 452 P C -1.054 176.286 177.300 0.067 0.000 1.172 452 P CA 0.783 63.947 63.100 0.107 0.000 0.762 452 P CB 0.049 31.799 31.700 0.083 0.000 0.764 453 L N -2.845 118.344 121.223 -0.057 0.000 2.510 453 L HA 0.537 4.876 4.340 -0.178 -0.106 0.252 453 L C -2.030 174.737 176.870 -0.172 0.000 1.091 453 L CA -1.917 52.772 54.840 -0.252 0.000 0.888 453 L CB 4.311 45.870 42.059 -0.832 0.000 1.507 453 L HN -0.358 7.855 8.230 -0.027 0.000 0.407 454 V N -0.503 119.293 119.914 -0.196 0.000 2.760 454 V HA 0.333 4.409 4.120 -0.072 0.000 0.309 454 V C -1.871 174.172 176.094 -0.086 0.000 1.077 454 V CA -2.079 60.159 62.300 -0.104 0.000 0.910 454 V CB 3.847 35.627 31.823 -0.073 0.000 1.008 454 V HN -0.302 7.723 8.190 -0.275 0.000 0.424 455 V N 8.203 128.113 119.914 -0.006 0.000 2.439 455 V HA 0.211 4.504 4.120 0.069 -0.132 0.282 455 V C -1.632 174.508 176.094 0.077 0.000 1.039 455 V CA -0.342 62.023 62.300 0.108 0.000 0.913 455 V CB 1.266 33.242 31.823 0.256 0.000 0.983 455 V HN 0.593 8.787 8.190 0.007 0.000 0.460 456 D N 4.690 125.161 120.400 0.119 0.000 2.591 456 D HA 0.195 4.454 4.640 -0.636 0.000 0.222 456 D C -1.806 174.583 176.300 0.147 0.000 1.360 456 D CA -0.535 53.377 54.000 -0.146 0.000 0.967 456 D CB 2.957 43.659 40.800 -0.164 0.000 1.456 456 D HN 0.135 8.642 8.370 0.229 0.000 0.588 457 W N 2.480 123.868 121.300 0.147 0.000 2.436 457 W HA 0.533 5.394 4.660 0.334 0.000 0.347 457 W C -1.386 175.293 176.519 0.268 0.000 1.136 457 W CA -2.802 54.684 57.345 0.236 0.000 1.286 457 W CB -0.245 29.299 29.460 0.139 0.000 1.253 457 W HN -0.104 7.440 8.180 -1.061 0.000 0.617 458 P HA -0.254 4.305 4.420 0.231 0.000 0.219 458 P C -1.413 176.150 177.300 0.438 0.000 1.144 458 P CA 1.827 65.170 63.100 0.404 0.000 0.806 458 P CB 0.096 32.077 31.700 0.468 0.000 0.771 459 H N -6.839 112.407 119.070 0.294 0.000 2.412 459 H HA 0.247 4.875 4.556 0.119 0.000 0.239 459 H C -1.485 173.895 175.328 0.087 0.000 1.388 459 H CA -0.454 55.736 56.048 0.237 0.000 1.148 459 H CB -0.787 29.174 29.762 0.331 0.000 1.637 459 H HN -0.031 8.636 8.280 0.738 0.055 0.542 460 K N 1.419 121.629 120.400 -0.318 0.000 2.325 460 K HA 0.192 4.184 4.320 -0.547 0.000 0.203 460 K C -0.046 176.365 176.600 -0.315 0.000 1.128 460 K CA 1.183 57.042 56.287 -0.713 0.000 0.931 460 K CB 1.142 32.781 32.500 -1.435 0.000 1.125 460 K HN -0.444 7.613 8.250 -0.233 0.053 0.487 461 A N -0.507 122.165 122.820 -0.247 0.000 1.859 461 A HA -0.086 4.143 4.320 -0.152 0.000 0.212 461 A C 1.573 179.090 177.584 -0.112 0.000 1.238 461 A CA 1.809 53.749 52.037 -0.160 0.000 0.613 461 A CB -0.607 18.304 19.000 -0.149 0.000 0.904 461 A HN 0.118 8.114 8.150 -0.257 0.000 0.457 462 E N -1.065 119.062 120.200 -0.121 0.000 2.086 462 E HA -0.319 3.974 4.350 -0.096 0.000 0.205 462 E C -0.048 176.492 176.600 -0.099 0.000 1.027 462 E CA 2.178 58.505 56.400 -0.121 0.000 0.830 462 E CB 0.140 29.733 29.700 -0.178 0.000 0.751 462 E HN 0.527 8.808 8.360 -0.132 0.000 0.456 463 S N -3.648 111.998 115.700 -0.091 0.000 2.719 463 S HA 0.201 4.655 4.470 -0.026 0.000 0.285 463 S C -1.424 173.193 174.600 0.029 0.000 1.137 463 S CA -0.154 58.035 58.200 -0.018 0.000 1.012 463 S CB 1.883 65.105 63.200 0.037 0.000 1.134 463 S HN -0.251 7.995 8.310 -0.109 -0.001 0.544 464 K N -0.925 119.515 120.400 0.068 0.000 2.312 464 K HA 0.077 4.443 4.320 0.077 0.000 0.206 464 K C -0.100 176.584 176.600 0.140 0.000 1.121 464 K CA 0.088 56.427 56.287 0.088 0.000 0.923 464 K CB 0.768 33.307 32.500 0.066 0.000 1.162 464 K HN -0.092 8.200 8.250 0.069 0.000 0.478 465 S N 0.676 116.435 115.700 0.098 0.000 2.715 465 S HA -0.185 4.197 4.470 -0.147 0.000 0.318 465 S C -0.142 174.528 174.600 0.115 0.000 1.242 465 S CA 1.002 59.212 58.200 0.018 0.000 1.044 465 S CB 0.519 63.763 63.200 0.073 0.000 0.760 465 S HN -0.425 7.936 8.310 0.085 0.000 0.501 466 Y N -0.278 120.058 120.300 0.060 0.000 2.882 466 Y HA 0.148 4.966 4.550 0.447 0.000 0.361 466 Y C -1.922 173.680 175.900 -0.497 0.000 1.058 466 Y CA -1.800 56.295 58.100 -0.009 0.000 1.575 466 Y CB -0.919 37.481 38.460 -0.099 0.000 1.383 466 Y HN -0.019 7.634 8.280 -1.044 0.000 0.515 467 F N 0.777 120.624 119.950 -0.173 0.000 2.443 467 F HA 0.521 4.868 4.527 -0.300 0.000 0.369 467 F C -2.125 173.388 175.800 -0.477 0.000 1.090 467 F CA -3.417 54.398 58.000 -0.308 0.000 1.129 467 F CB 1.026 39.881 39.000 -0.242 0.000 1.367 467 F HN -0.364 7.855 8.300 0.021 0.093 0.465 468 P HA 0.090 3.863 4.420 -1.080 0.000 0.250 468 P C -2.499 174.400 177.300 -0.668 0.000 1.161 468 P CA -0.976 61.575 63.100 -0.916 0.000 0.863 468 P CB -0.523 30.617 31.700 -0.933 0.000 0.827 469 P HA -0.200 4.069 4.420 -0.252 0.000 0.266 469 P C -0.549 176.411 177.300 -0.568 0.000 1.180 469 P CA 0.471 63.291 63.100 -0.468 0.000 0.765 469 P CB 0.589 32.102 31.700 -0.313 0.000 0.806 470 K N -2.415 117.895 120.400 -0.150 0.000 2.914 470 K HA -0.425 3.903 4.320 0.012 0.000 0.253 470 K C 0.430 177.032 176.600 0.004 0.000 0.986 470 K CA 0.672 56.978 56.287 0.031 0.000 0.730 470 K CB -2.207 30.460 32.500 0.279 0.000 1.228 470 K HN 0.402 8.587 8.250 -0.108 0.000 0.483 471 G N -2.494 106.185 108.800 -0.203 0.000 2.330 471 G HA2 -0.421 3.467 3.960 -0.250 0.000 0.239 471 G HA3 -0.421 3.638 3.960 -0.079 -0.146 0.239 471 G C -2.357 172.503 174.900 -0.066 0.000 0.818 471 G CA 0.655 45.654 45.100 -0.169 0.000 1.189 471 G HN -0.082 7.991 8.290 -0.277 0.051 0.337 472 Y N -2.225 118.015 120.300 -0.100 0.000 2.527 472 Y HA 0.734 5.358 4.550 -0.154 -0.166 0.328 472 Y C -3.201 172.678 175.900 -0.035 0.000 1.216 472 Y CA -2.709 55.340 58.100 -0.085 0.000 1.152 472 Y CB 1.065 39.529 38.460 0.007 0.000 1.342 472 Y HN -0.922 7.038 8.280 -0.535 0.000 0.465 473 A N -0.291 122.640 122.820 0.186 0.000 2.536 473 A HA 0.449 5.031 4.320 0.438 0.000 0.293 473 A C -3.182 174.397 177.584 -0.009 0.000 1.119 473 A CA -0.496 51.683 52.037 0.236 0.000 0.654 473 A CB 3.444 22.634 19.000 0.316 0.000 1.291 473 A HN 0.292 8.472 8.150 0.050 0.000 0.439 474 F N -2.452 117.655 119.950 0.261 0.000 2.469 474 F HA 0.843 5.695 4.527 0.177 -0.219 0.332 474 F C -0.677 175.140 175.800 0.030 0.000 1.103 474 F CA -1.596 56.480 58.000 0.127 0.000 0.979 474 F CB 3.526 42.532 39.000 0.011 0.000 1.137 474 F HN -0.268 8.193 8.300 0.463 0.117 0.463 475 L N 0.817 122.135 121.223 0.159 0.000 2.296 475 L HA 0.636 5.112 4.340 -0.077 -0.182 0.286 475 L C -0.743 176.148 176.870 0.035 0.000 1.023 475 L CA -1.142 53.675 54.840 -0.037 0.000 0.812 475 L CB 1.310 43.221 42.059 -0.247 0.000 1.223 475 L HN 0.841 9.091 8.230 0.223 0.114 0.421 476 L N 2.357 123.543 121.223 -0.062 0.000 2.356 476 L HA 0.322 4.741 4.340 0.132 0.000 0.264 476 L C -0.676 176.185 176.870 -0.016 0.000 1.029 476 L CA -1.462 53.392 54.840 0.022 0.000 0.897 476 L CB -0.180 41.878 42.059 -0.002 0.000 1.256 476 L HN 0.384 8.535 8.230 -0.130 0.000 0.444 477 F N 4.064 124.038 119.950 0.040 0.000 2.538 477 F HA -0.113 4.453 4.527 0.066 0.000 0.371 477 F C 1.377 177.205 175.800 0.047 0.000 1.087 477 F CA 1.001 59.033 58.000 0.054 0.000 1.250 477 F CB 0.069 39.105 39.000 0.061 0.000 1.110 477 F HN 0.391 9.015 8.300 0.541 0.000 0.570 478 Q N 2.442 122.352 119.800 0.183 0.000 2.096 478 Q HA -0.380 4.011 4.340 0.085 0.000 0.208 478 Q C 0.534 176.612 176.000 0.130 0.000 0.993 478 Q CA 3.489 59.365 55.803 0.121 0.000 0.862 478 Q CB 0.307 29.103 28.738 0.096 0.000 0.915 478 Q HN 0.057 8.420 8.270 0.156 0.000 0.416 479 E N -3.398 116.900 120.200 0.164 0.000 2.212 479 E HA 0.138 4.543 4.350 0.092 0.000 0.270 479 E C 0.981 177.649 176.600 0.113 0.000 0.956 479 E CA -1.242 55.229 56.400 0.118 0.000 0.825 479 E CB 1.675 31.435 29.700 0.100 0.000 1.167 479 E HN -0.226 8.263 8.360 0.215 0.000 0.400 480 E N 2.395 122.636 120.200 0.068 0.000 2.072 480 E HA -0.274 4.104 4.350 0.047 0.000 0.190 480 E C 1.724 178.323 176.600 -0.002 0.000 0.982 480 E CA 3.296 59.718 56.400 0.038 0.000 0.803 480 E CB 0.153 29.872 29.700 0.032 0.000 0.755 480 E HN 0.534 8.931 8.360 0.061 0.000 0.453 481 S N 0.038 115.746 115.700 0.013 0.000 2.380 481 S HA -0.439 4.029 4.470 -0.002 0.000 0.229 481 S C 1.762 176.344 174.600 -0.032 0.000 1.050 481 S CA 4.086 62.287 58.200 0.003 0.000 1.100 481 S CB -0.346 62.870 63.200 0.027 0.000 0.984 481 S HN 0.172 8.500 8.310 0.030 0.000 0.434 482 S N 0.058 115.744 115.700 -0.023 0.000 2.393 482 S HA -0.342 4.140 4.470 0.020 0.000 0.234 482 S C 1.952 176.350 174.600 -0.337 0.000 1.064 482 S CA 3.296 61.442 58.200 -0.091 0.000 1.088 482 S CB -1.098 62.094 63.200 -0.013 0.000 0.939 482 S HN 0.042 8.369 8.310 0.029 0.000 0.448 483 V N 3.028 122.693 119.914 -0.414 0.000 2.233 483 V HA -0.565 3.112 4.120 -0.738 0.000 0.252 483 V C 1.837 177.773 176.094 -0.262 0.000 1.063 483 V CA 4.515 66.555 62.300 -0.434 0.000 1.032 483 V CB -0.577 31.121 31.823 -0.208 0.000 0.645 483 V HN -0.392 7.543 8.190 -0.282 0.086 0.446 484 Q N -1.108 118.608 119.800 -0.139 0.000 2.062 484 Q HA -0.438 3.861 4.340 -0.068 0.000 0.209 484 Q C 2.063 178.025 176.000 -0.065 0.000 0.996 484 Q CA 2.888 58.646 55.803 -0.076 0.000 0.859 484 Q CB -0.742 27.976 28.738 -0.034 0.000 0.920 484 Q HN -0.402 7.800 8.270 -0.114 0.000 0.415 485 A N -0.944 121.852 122.820 -0.040 0.000 1.927 485 A HA -0.346 4.011 4.320 0.062 0.000 0.220 485 A C 2.174 179.775 177.584 0.029 0.000 1.185 485 A CA 2.878 54.945 52.037 0.050 0.000 0.639 485 A CB -0.910 18.188 19.000 0.162 0.000 0.820 485 A HN -0.696 7.427 8.150 -0.046 0.000 0.451 486 L N -1.435 119.661 121.223 -0.212 0.000 1.970 486 L HA -0.372 3.654 4.340 -0.523 0.000 0.212 486 L C 2.471 179.265 176.870 -0.127 0.000 1.071 486 L CA 3.188 57.794 54.840 -0.390 0.000 0.751 486 L CB -0.041 41.661 42.059 -0.596 0.000 0.889 486 L HN -0.499 7.453 8.230 -0.294 0.101 0.432 487 I N -1.790 118.718 120.570 -0.104 0.000 2.113 487 I HA -0.594 3.551 4.170 -0.041 0.000 0.242 487 I C 1.464 177.580 176.117 -0.002 0.000 1.064 487 I CA 3.989 65.263 61.300 -0.044 0.000 1.320 487 I CB -0.494 37.483 38.000 -0.039 0.000 1.028 487 I HN -0.537 7.587 8.210 -0.142 0.000 0.406 488 D N -1.247 119.159 120.400 0.011 0.000 2.133 488 D HA -0.329 4.327 4.640 0.027 0.000 0.192 488 D C 1.143 177.477 176.300 0.056 0.000 1.001 488 D CA 2.699 56.720 54.000 0.035 0.000 0.844 488 D CB 0.434 41.261 40.800 0.044 0.000 0.944 488 D HN -0.639 7.730 8.370 -0.002 0.000 0.447 489 A N -2.137 120.736 122.820 0.089 0.000 1.930 489 A HA -0.121 4.258 4.320 0.098 0.000 0.217 489 A C 1.008 178.647 177.584 0.091 0.000 1.175 489 A CA 1.557 53.664 52.037 0.117 0.000 0.627 489 A CB 0.068 19.206 19.000 0.230 0.000 0.815 489 A HN -0.677 7.458 8.150 0.098 0.073 0.443 490 C N -0.778 118.564 119.300 0.069 0.000 2.638 490 C HA -0.199 4.437 4.460 0.092 -0.120 0.410 490 C C 0.612 175.645 174.990 0.072 0.000 1.404 490 C CA 2.334 61.393 59.018 0.068 0.000 1.651 490 C CB -0.716 27.041 27.740 0.029 0.000 2.495 490 C HN -0.119 7.953 8.230 0.049 0.187 0.606 491 L N 7.108 128.393 121.223 0.104 0.000 2.479 491 L HA -0.098 4.289 4.340 0.079 0.000 0.270 491 L C -0.130 176.812 176.870 0.120 0.000 1.236 491 L CA 0.773 55.678 54.840 0.107 0.000 0.823 491 L CB 0.627 42.758 42.059 0.120 0.000 1.098 491 L HN 0.629 8.933 8.230 0.123 0.000 0.500 492 E N 0.551 120.812 120.200 0.101 0.000 2.155 492 E HA 0.290 4.851 4.350 0.095 -0.154 0.264 492 E C -1.010 175.660 176.600 0.117 0.000 0.886 492 E CA -0.637 55.820 56.400 0.095 0.000 0.752 492 E CB 1.447 31.180 29.700 0.054 0.000 1.133 492 E HN 0.156 8.565 8.360 0.082 0.000 0.414 493 E N 7.711 128.016 120.200 0.175 0.000 2.593 493 E HA 0.235 4.645 4.350 0.099 0.000 0.232 493 E C -1.341 175.344 176.600 0.141 0.000 1.026 493 E CA -1.130 55.366 56.400 0.160 0.000 0.772 493 E CB 0.740 30.556 29.700 0.194 0.000 1.310 493 E HN 0.629 9.110 8.360 0.202 0.000 0.413 494 D N 4.542 124.992 120.400 0.083 0.000 2.739 494 D HA -0.354 4.314 4.640 0.046 0.000 0.240 494 D C -0.053 176.282 176.300 0.059 0.000 1.114 494 D CA 0.625 54.663 54.000 0.064 0.000 0.695 494 D CB -0.234 40.605 40.800 0.065 0.000 1.078 494 D HN 0.741 9.152 8.370 0.068 0.000 0.434 495 G N -3.782 105.047 108.800 0.048 0.000 2.498 495 G HA2 -0.408 3.565 3.960 0.021 0.000 0.229 495 G HA3 -0.408 3.567 3.960 0.025 0.000 0.229 495 G C -0.486 174.420 174.900 0.011 0.000 1.156 495 G CA -0.005 45.112 45.100 0.028 0.000 0.680 495 G HN 0.117 8.437 8.290 0.050 0.000 0.512 496 K N 1.478 121.893 120.400 0.024 0.000 2.355 496 K HA 0.023 4.274 4.320 -0.116 0.000 0.270 496 K C -0.837 175.665 176.600 -0.163 0.000 1.003 496 K CA 0.271 56.510 56.287 -0.080 0.000 0.957 496 K CB 0.664 33.155 32.500 -0.015 0.000 0.939 496 K HN -0.679 7.506 8.250 0.069 0.106 0.482 497 L N 0.602 121.603 121.223 -0.371 0.000 2.331 497 L HA 0.955 5.479 4.340 -0.087 -0.236 0.275 497 L C -0.391 176.110 176.870 -0.615 0.000 1.022 497 L CA -1.531 53.136 54.840 -0.287 0.000 0.812 497 L CB 2.667 44.638 42.059 -0.147 0.000 1.257 497 L HN 0.223 8.220 8.230 -0.388 0.000 0.435 498 Y N -1.618 118.696 120.300 0.025 0.000 2.441 498 Y HA 0.397 5.106 4.550 0.025 -0.145 0.334 498 Y C -1.915 174.010 175.900 0.041 0.000 1.061 498 Y CA -0.823 57.293 58.100 0.027 0.000 1.032 498 Y CB 3.497 41.967 38.460 0.017 0.000 1.266 498 Y HN 0.178 8.518 8.280 0.100 0.000 0.441 499 L N -1.121 120.220 121.223 0.197 0.000 2.319 499 L HA 0.580 4.998 4.340 0.129 0.000 0.267 499 L C -1.994 174.948 176.870 0.121 0.000 1.011 499 L CA -2.250 52.678 54.840 0.147 0.000 0.818 499 L CB 4.932 47.084 42.059 0.155 0.000 1.316 499 L HN 0.401 8.754 8.230 0.204 0.000 0.432 500 C N 2.321 121.663 119.300 0.069 0.000 2.319 500 C HA 0.536 5.252 4.460 0.051 -0.225 0.335 500 C C -0.754 174.230 174.990 -0.010 0.000 1.274 500 C CA -0.987 58.053 59.018 0.036 0.000 1.806 500 C CB 1.367 29.122 27.740 0.024 0.000 2.329 500 C HN 0.222 8.492 8.230 0.067 0.000 0.524 501 V N 3.620 123.533 119.914 -0.000 0.000 2.419 501 V HA 0.410 4.480 4.120 -0.083 0.000 0.287 501 V C -1.170 174.922 176.094 -0.004 0.000 1.017 501 V CA -2.433 59.850 62.300 -0.028 0.000 0.844 501 V CB 0.743 32.576 31.823 0.017 0.000 1.011 501 V HN 0.803 8.961 8.190 0.026 0.048 0.429 502 S N 7.921 123.611 115.700 -0.018 0.000 2.565 502 S HA 0.084 4.623 4.470 -0.002 -0.071 0.276 502 S C -0.411 174.189 174.600 0.000 0.000 1.326 502 S CA -0.140 58.055 58.200 -0.008 0.000 1.045 502 S CB 0.763 63.954 63.200 -0.015 0.000 0.918 502 S HN 0.411 8.700 8.310 -0.036 0.000 0.505 503 S N 3.950 119.654 115.700 0.006 0.000 2.568 503 S HA 0.487 4.964 4.470 0.012 0.000 0.293 503 S C -1.281 173.324 174.600 0.008 0.000 1.089 503 S CA -2.562 55.645 58.200 0.011 0.000 0.945 503 S CB 1.359 64.570 63.200 0.019 0.000 1.077 503 S HN 0.203 8.516 8.310 0.005 0.000 0.485 504 P HA -0.160 4.263 4.420 0.004 0.000 0.218 504 P C -0.525 176.781 177.300 0.009 0.000 1.146 504 P CA 2.516 65.620 63.100 0.008 0.000 0.820 504 P CB 0.402 32.109 31.700 0.011 0.000 0.778 505 T N -6.728 107.832 114.554 0.012 0.000 3.156 505 T HA -0.113 4.242 4.350 0.008 0.000 0.236 505 T C -0.494 174.210 174.700 0.007 0.000 0.978 505 T CA -0.050 62.056 62.100 0.010 0.000 1.240 505 T CB 0.866 69.743 68.868 0.015 0.000 0.951 505 T HN -0.087 8.114 8.240 0.014 0.048 0.420 506 I N 1.564 122.139 120.570 0.008 0.000 2.638 506 I HA 0.081 4.252 4.170 0.003 0.000 0.286 506 I C -0.174 175.946 176.117 0.004 0.000 1.088 506 I CA 0.005 61.309 61.300 0.006 0.000 1.397 506 I CB 0.176 38.180 38.000 0.008 0.000 1.414 506 I HN -0.281 7.936 8.210 0.012 0.000 0.566 507 K N 4.110 124.511 120.400 0.001 0.000 2.102 507 K HA -0.084 4.235 4.320 -0.001 0.000 0.244 507 K C -0.616 175.985 176.600 0.001 0.000 1.021 507 K CA -0.239 56.048 56.287 -0.001 0.000 0.913 507 K CB 0.655 33.153 32.500 -0.003 0.000 1.062 507 K HN 0.082 8.332 8.250 0.000 0.000 0.485 508 D N 0.705 121.104 120.400 -0.001 0.000 3.304 508 D HA -0.282 4.463 4.640 -0.000 -0.105 0.241 508 D C -0.555 175.749 176.300 0.007 0.000 1.310 508 D CA 1.767 55.767 54.000 0.001 0.000 0.884 508 D CB -1.057 39.742 40.800 -0.002 0.000 1.167 508 D HN 0.216 8.584 8.370 -0.004 0.000 0.598 509 K N 4.921 125.330 120.400 0.015 0.000 2.183 509 K HA 0.314 4.640 4.320 0.011 0.000 0.274 509 K C -2.015 174.609 176.600 0.040 0.000 1.009 509 K CA -3.484 52.816 56.287 0.022 0.000 0.888 509 K CB 1.534 34.049 32.500 0.026 0.000 1.078 509 K HN -0.273 7.879 8.250 0.017 0.108 0.459 510 P HA 0.131 4.810 4.420 0.089 -0.206 0.252 510 P C -0.620 176.755 177.300 0.125 0.000 1.727 510 P CA -1.166 61.973 63.100 0.066 0.000 1.134 510 P CB -1.144 30.552 31.700 -0.006 0.000 1.876 511 V N -1.905 118.096 119.914 0.145 0.000 2.963 511 V HA -0.129 4.055 4.120 0.107 0.000 0.306 511 V C -0.594 175.613 176.094 0.189 0.000 1.077 511 V CA -1.831 60.556 62.300 0.144 0.000 1.124 511 V CB 0.448 32.361 31.823 0.149 0.000 0.987 511 V HN -0.448 7.791 8.190 0.133 0.030 0.487 512 Q N 3.936 123.787 119.800 0.086 0.000 2.389 512 Q HA 0.159 4.461 4.340 -0.064 0.000 0.244 512 Q C -1.083 174.786 176.000 -0.219 0.000 1.056 512 Q CA -1.188 54.578 55.803 -0.063 0.000 0.908 512 Q CB 0.411 29.103 28.738 -0.078 0.000 1.273 512 Q HN 0.156 8.320 8.270 0.023 0.119 0.471 513 I N 7.792 128.256 120.570 -0.175 0.000 2.291 513 I HA 0.240 4.538 4.170 -0.120 -0.200 0.290 513 I C -1.088 174.964 176.117 -0.109 0.000 1.050 513 I CA -1.634 59.602 61.300 -0.107 0.000 1.245 513 I CB -1.216 36.786 38.000 0.004 0.000 1.405 513 I HN -0.066 8.028 8.210 -0.193 0.000 0.478 514 R N 7.733 128.219 120.500 -0.025 0.000 2.363 514 R HA 0.504 4.849 4.340 0.008 0.000 0.297 514 R C -2.351 174.081 176.300 0.219 0.000 1.208 514 R CA -3.873 52.277 56.100 0.085 0.000 1.121 514 R CB 1.797 32.198 30.300 0.168 0.000 1.124 514 R HN 0.757 8.893 8.270 -0.035 0.113 0.561 515 P HA -0.212 4.340 4.420 0.221 0.000 0.250 515 P C -0.937 176.512 177.300 0.247 0.000 1.161 515 P CA -0.037 63.172 63.100 0.181 0.000 0.863 515 P CB -0.149 31.597 31.700 0.077 0.000 0.827 516 W N 5.213 126.619 121.300 0.177 0.000 2.580 516 W HA -0.442 4.317 4.660 0.166 0.000 0.337 516 W C -1.765 174.790 176.519 0.061 0.000 1.088 516 W CA 2.077 59.507 57.345 0.142 0.000 1.189 516 W CB 0.459 29.992 29.460 0.122 0.000 1.131 516 W HN -0.100 8.431 8.180 0.585 0.000 0.563 517 N N 4.620 122.994 118.700 -0.543 0.000 2.710 517 N HA 0.058 4.755 4.740 -0.351 -0.168 0.257 517 N C -1.434 173.732 175.510 -0.572 0.000 1.327 517 N CA -0.443 52.347 53.050 -0.433 0.000 0.861 517 N CB 4.067 42.443 38.487 -0.186 0.000 1.532 517 N HN -0.238 7.700 8.380 -0.737 0.000 0.499 518 L N 1.888 122.886 121.223 -0.376 0.000 2.530 518 L HA -0.008 4.097 4.340 -0.391 0.000 0.273 518 L C -0.215 176.517 176.870 -0.230 0.000 1.141 518 L CA 0.586 55.244 54.840 -0.304 0.000 0.905 518 L CB 0.595 42.546 42.059 -0.180 0.000 1.202 518 L HN -0.118 7.822 8.230 -0.272 0.127 0.473 519 S N 4.814 120.369 115.700 -0.241 0.000 2.670 519 S HA -0.168 4.213 4.470 -0.149 0.000 0.308 519 S C -0.711 173.824 174.600 -0.107 0.000 1.232 519 S CA 0.586 58.691 58.200 -0.157 0.000 1.126 519 S CB 0.371 63.489 63.200 -0.137 0.000 0.897 519 S HN 0.272 8.398 8.310 -0.308 0.000 0.508 520 D N 3.171 123.520 120.400 -0.085 0.000 2.623 520 D HA 0.050 4.655 4.640 -0.059 0.000 0.241 520 D C -1.083 175.189 176.300 -0.046 0.000 1.241 520 D CA -0.303 53.657 54.000 -0.065 0.000 0.788 520 D CB 1.983 42.739 40.800 -0.073 0.000 1.413 520 D HN -0.098 8.220 8.370 -0.085 0.000 0.429 521 S N 2.286 117.964 115.700 -0.037 0.000 2.516 521 S HA 0.284 4.754 4.470 0.001 0.000 0.268 521 S C -1.491 173.087 174.600 -0.035 0.000 1.251 521 S CA -0.085 58.106 58.200 -0.014 0.000 1.153 521 S CB 0.187 63.389 63.200 0.003 0.000 1.009 521 S HN 0.064 8.349 8.310 -0.043 0.000 0.479 522 D N 4.821 125.195 120.400 -0.043 0.000 2.937 522 D HA 0.034 4.528 4.640 -0.243 0.000 0.215 522 D C -1.274 174.976 176.300 -0.083 0.000 1.274 522 D CA 0.016 53.925 54.000 -0.151 0.000 0.869 522 D CB 1.639 42.333 40.800 -0.177 0.000 1.675 522 D HN -0.083 8.278 8.370 -0.014 0.000 0.538 523 F N 0.876 120.817 119.950 -0.014 0.000 2.425 523 F HA 0.614 5.133 4.527 -0.014 0.000 0.331 523 F C -1.571 174.222 175.800 -0.011 0.000 1.085 523 F CA -1.127 56.866 58.000 -0.012 0.000 1.028 523 F CB 1.553 40.547 39.000 -0.010 0.000 1.177 523 F HN -0.115 7.643 8.300 -0.903 0.000 0.487 524 V N 3.740 123.768 119.914 0.190 0.000 2.789 524 V HA 0.195 4.403 4.120 0.145 0.000 0.300 524 V C -1.577 174.578 176.094 0.102 0.000 1.184 524 V CA -1.167 61.199 62.300 0.111 0.000 0.930 524 V CB 1.870 33.700 31.823 0.012 0.000 1.041 524 V HN 0.134 8.442 8.190 0.197 0.000 0.430 525 M N 6.242 125.900 119.600 0.097 0.000 2.101 525 M HA 0.567 5.080 4.480 0.055 0.000 0.340 525 M C -1.334 174.991 176.300 0.040 0.000 1.057 525 M CA -0.279 55.058 55.300 0.062 0.000 0.984 525 M CB 0.431 33.066 32.600 0.059 0.000 1.560 525 M HN 0.110 8.468 8.290 0.113 0.000 0.435 526 D N 1.987 122.404 120.400 0.029 0.000 2.755 526 D HA 0.102 4.753 4.640 0.019 0.000 0.277 526 D C -1.838 174.472 176.300 0.015 0.000 1.261 526 D CA -0.208 53.804 54.000 0.020 0.000 0.759 526 D CB 2.571 43.380 40.800 0.016 0.000 1.279 526 D HN 0.139 8.526 8.370 0.029 0.000 0.420 527 S N 0.032 115.739 115.700 0.012 0.000 2.568 527 S HA 0.392 4.869 4.470 0.010 0.000 0.293 527 S C -0.523 174.082 174.600 0.009 0.000 1.089 527 S CA -0.713 57.493 58.200 0.010 0.000 0.945 527 S CB 2.118 65.324 63.200 0.010 0.000 1.077 527 S HN 0.047 8.364 8.310 0.012 0.000 0.485 528 G N 0.828 109.633 108.800 0.008 0.000 2.504 528 G HA2 0.259 4.223 3.960 0.007 0.000 0.288 528 G HA3 0.259 4.224 3.960 0.008 0.000 0.288 528 G C -1.929 172.975 174.900 0.008 0.000 1.182 528 G CA -1.704 43.401 45.100 0.008 0.000 0.894 528 G HN 0.239 8.534 8.290 0.008 0.000 0.521 529 P HA 0.184 4.608 4.420 0.007 0.000 0.277 529 P C -0.739 176.566 177.300 0.008 0.000 1.354 529 P CA -0.379 62.726 63.100 0.008 0.000 0.891 529 P CB 0.345 32.049 31.700 0.007 0.000 1.058 530 S N 4.738 120.443 115.700 0.009 0.000 2.369 530 S HA -0.299 4.177 4.470 0.010 0.000 0.225 530 S C -0.007 174.599 174.600 0.010 0.000 1.043 530 S CA 2.332 60.538 58.200 0.010 0.000 1.074 530 S CB 0.288 63.494 63.200 0.009 0.000 0.962 530 S HN 0.443 8.758 8.310 0.008 0.000 0.433 531 S N -2.195 113.511 115.700 0.009 0.000 2.726 531 S HA 0.082 4.557 4.470 0.010 0.000 0.308 531 S C -0.626 173.979 174.600 0.008 0.000 1.115 531 S CA 0.030 58.235 58.200 0.009 0.000 0.965 531 S CB 1.689 64.894 63.200 0.008 0.000 1.145 531 S HN -0.438 7.877 8.310 0.008 0.000 0.532 532 G N 0.000 108.805 108.800 0.008 0.000 5.446 532 G HA2 0.000 nan 3.960 nan 0.000 0.244 532 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 532 G CA 0.000 45.104 45.100 0.007 0.000 0.502 532 G HN 0.000 8.295 8.290 0.008 0.000 0.925