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 1w11_1_U DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LISPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTISLPS MYNDPQFGTS cEITGFGKEN STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHTKE 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 16 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.069 176.117 -0.080 0.000 1.063 16 I CA 0.000 61.247 61.300 -0.088 0.000 1.566 16 I CB 0.000 37.907 38.000 -0.155 0.000 1.214 17 I N 4.831 125.377 120.570 -0.039 0.000 2.396 17 I HA 0.496 4.663 4.170 -0.006 0.000 0.289 17 I C 1.265 177.352 176.117 -0.050 0.000 1.056 17 I CA 0.887 62.172 61.300 -0.026 0.000 1.365 17 I CB 0.398 38.404 38.000 0.011 0.000 1.407 17 I HN 0.894 9.104 8.210 -0.000 0.000 0.509 18 G N 4.882 113.641 108.800 -0.068 0.000 2.562 18 G HA2 0.130 4.086 3.960 -0.006 0.000 0.250 18 G HA3 0.130 4.086 3.960 -0.006 0.000 0.250 18 G C 0.307 175.124 174.900 -0.138 0.000 1.269 18 G CA 0.057 45.109 45.100 -0.080 0.000 0.919 18 G HN 1.623 9.913 8.290 -0.000 0.000 0.574 19 G N -1.390 107.340 108.800 -0.117 0.000 2.553 19 G HA2 0.252 4.208 3.960 -0.006 0.000 0.242 19 G HA3 0.252 4.208 3.960 -0.006 0.000 0.242 19 G C -0.252 174.539 174.900 -0.182 0.000 1.277 19 G CA 1.168 46.182 45.100 -0.143 0.000 0.910 19 G HN 1.724 10.014 8.290 -0.000 0.000 0.576 20 E N -1.278 118.792 120.200 -0.217 0.000 2.393 20 E HA 0.570 4.916 4.350 -0.006 0.000 0.273 20 E C -1.095 175.332 176.600 -0.287 0.000 0.918 20 E CA -0.825 55.454 56.400 -0.202 0.000 0.773 20 E CB 1.698 31.353 29.700 -0.075 0.000 1.275 20 E HN 0.322 8.682 8.360 -0.000 0.000 0.451 21 F N 0.918 120.830 119.950 -0.064 0.000 2.443 21 F HA 0.287 4.812 4.527 -0.003 0.000 0.353 21 F C 1.060 176.807 175.800 -0.088 0.000 1.101 21 F CA 0.446 58.399 58.000 -0.079 0.000 1.226 21 F CB 1.426 40.395 39.000 -0.053 0.000 1.140 21 F HN 0.267 8.567 8.300 -0.000 0.000 0.557 22 T N 0.537 115.114 114.554 0.038 0.000 2.693 22 T HA 0.697 5.043 4.350 -0.006 0.000 0.278 22 T C -0.611 174.065 174.700 -0.040 0.000 0.994 22 T CA -0.414 61.667 62.100 -0.031 0.000 1.033 22 T CB 1.404 70.205 68.868 -0.111 0.000 1.342 22 T HN 0.699 8.939 8.240 -0.000 0.000 0.538 23 T N -0.215 114.297 114.554 -0.070 0.000 2.916 23 T HA 0.507 4.854 4.350 -0.006 0.000 0.292 23 T C 0.989 175.627 174.700 -0.103 0.000 1.055 23 T CA -0.669 61.395 62.100 -0.060 0.000 1.009 23 T CB 1.232 70.082 68.868 -0.031 0.000 1.118 23 T HN 0.381 8.621 8.240 -0.000 0.000 0.497 24 I N 0.995 121.524 120.570 -0.068 0.000 2.567 24 I HA -0.068 4.099 4.170 -0.006 0.000 0.257 24 I C 2.142 178.186 176.117 -0.121 0.000 1.184 24 I CA 1.429 62.681 61.300 -0.081 0.000 1.451 24 I CB -0.616 37.398 38.000 0.023 0.000 1.089 24 I HN 0.819 9.029 8.210 -0.000 0.000 0.441 25 E N 0.050 120.199 120.200 -0.085 0.000 2.204 25 E HA -0.178 4.168 4.350 -0.006 0.000 0.195 25 E C 1.317 177.838 176.600 -0.131 0.000 0.990 25 E CA 1.017 57.368 56.400 -0.081 0.000 0.821 25 E CB -0.206 29.470 29.700 -0.040 0.000 0.750 25 E HN 0.570 8.930 8.360 -0.000 0.000 0.477 26 N N 0.350 118.954 118.700 -0.160 0.000 2.353 26 N HA -0.017 4.720 4.740 -0.006 0.000 0.185 26 N C 0.112 175.408 175.510 -0.358 0.000 1.098 26 N CA 0.527 53.471 53.050 -0.178 0.000 0.872 26 N CB 0.677 39.096 38.487 -0.114 0.000 0.970 26 N HN 0.107 8.487 8.380 -0.000 0.000 0.467 27 Q N 0.046 119.535 119.800 -0.518 0.000 2.903 27 Q HA 0.216 4.553 4.340 -0.006 0.000 0.342 27 Q C -2.035 173.400 176.000 -0.941 0.000 0.808 27 Q CA -1.124 54.106 55.803 -0.955 0.000 1.004 27 Q CB 1.464 29.874 28.738 -0.546 0.000 1.470 27 Q HN 0.180 8.450 8.270 -0.000 0.000 0.387 28 P HA -0.142 4.278 4.420 -0.000 0.000 0.223 28 P C 0.587 177.797 177.300 -0.151 0.000 1.144 28 P CA 1.139 64.039 63.100 -0.333 0.000 0.783 28 P CB -0.150 31.461 31.700 -0.147 0.000 0.771 29 W N -2.189 119.188 121.300 0.128 0.000 3.290 29 W HA 0.350 5.008 4.660 -0.003 0.000 0.287 29 W C 0.469 177.074 176.519 0.142 0.000 1.288 29 W CA -1.120 56.293 57.345 0.113 0.000 1.725 29 W CB -1.538 27.976 29.460 0.089 0.000 1.103 29 W HN -0.271 7.909 8.180 -0.000 0.000 0.670 30 F N 3.013 122.904 119.950 -0.099 0.000 2.504 30 F HA 0.480 5.003 4.527 -0.007 0.000 0.369 30 F C 0.386 176.265 175.800 0.132 0.000 1.082 30 F CA -0.790 57.240 58.000 0.049 0.000 1.216 30 F CB 0.505 39.458 39.000 -0.079 0.000 1.108 30 F HN -0.016 8.284 8.300 -0.000 0.000 0.554 31 A N 5.371 127.828 122.820 -0.606 0.000 2.318 31 A HA 0.791 5.107 4.320 -0.006 0.000 0.324 31 A C -0.902 176.389 177.584 -0.490 0.000 1.170 31 A CA -0.413 51.431 52.037 -0.322 0.000 0.810 31 A CB 0.701 19.617 19.000 -0.140 0.000 1.198 31 A HN 1.049 9.199 8.150 -0.000 0.000 0.484 32 A N 3.167 126.028 122.820 0.068 0.000 2.249 32 A HA 0.655 4.972 4.320 -0.006 0.000 0.314 32 A C -0.366 177.356 177.584 0.231 0.000 1.290 32 A CA -0.321 51.919 52.037 0.339 0.000 0.893 32 A CB -0.141 19.292 19.000 0.723 0.000 1.165 32 A HN 0.727 8.877 8.150 -0.000 0.000 0.530 33 I N 2.820 123.328 120.570 -0.104 0.000 2.336 33 I HA 0.404 4.570 4.170 -0.006 0.000 0.292 33 I C -0.849 175.128 176.117 -0.232 0.000 0.991 33 I CA -0.367 60.915 61.300 -0.031 0.000 1.227 33 I CB 0.917 38.916 38.000 -0.001 0.000 1.366 33 I HN 0.652 8.862 8.210 -0.000 0.000 0.466 34 Y N 4.492 124.907 120.300 0.192 0.000 2.598 34 Y HA 0.654 5.201 4.550 -0.004 0.000 0.340 34 Y C -0.005 176.025 175.900 0.216 0.000 1.038 34 Y CA -0.963 57.250 58.100 0.188 0.000 1.100 34 Y CB 1.839 40.439 38.460 0.234 0.000 1.281 34 Y HN 0.438 8.718 8.280 -0.000 0.000 0.488 35 R N 1.304 121.968 120.500 0.273 0.000 2.561 35 R HA 0.505 4.841 4.340 -0.006 0.000 0.297 35 R C -1.150 175.160 176.300 0.018 0.000 0.969 35 R CA -0.822 55.282 56.100 0.006 0.000 0.879 35 R CB 1.178 31.420 30.300 -0.097 0.000 1.178 35 R HN 0.761 9.031 8.270 -0.000 0.000 0.445 36 R N 1.949 122.414 120.500 -0.058 0.000 2.390 36 R HA 0.135 4.471 4.340 -0.006 0.000 0.291 36 R C -0.239 176.037 176.300 -0.039 0.000 1.070 36 R CA 0.196 56.281 56.100 -0.025 0.000 1.014 36 R CB 1.162 31.441 30.300 -0.036 0.000 1.007 36 R HN 0.991 9.261 8.270 -0.000 0.000 0.466 37 S N 0.172 115.881 115.700 0.014 0.000 4.218 37 S HA -0.179 4.288 4.470 -0.006 0.000 0.818 37 S C -0.142 174.483 174.600 0.041 0.000 1.245 37 S CA -0.263 57.952 58.200 0.026 0.000 0.988 37 S CB -0.343 62.874 63.200 0.029 0.000 1.713 37 S HN 0.369 8.679 8.310 -0.000 0.000 0.312 38 V N 4.822 124.772 119.914 0.059 0.000 2.349 38 V HA 0.644 4.761 4.120 -0.006 0.000 0.284 38 V C 0.748 176.965 176.094 0.204 0.000 1.014 38 V CA 0.003 62.367 62.300 0.107 0.000 0.826 38 V CB 1.247 33.099 31.823 0.049 0.000 1.009 38 V HN 1.262 9.452 8.190 -0.000 0.000 0.431 39 T N 1.644 116.340 114.554 0.238 0.000 2.925 39 T HA 0.596 4.943 4.350 -0.006 0.000 0.285 39 T C -0.590 174.329 174.700 0.365 0.000 1.021 39 T CA -0.600 61.668 62.100 0.280 0.000 1.042 39 T CB 1.443 70.412 68.868 0.169 0.000 1.037 39 T HN 0.385 8.625 8.240 -0.000 0.000 0.481 40 Y N 2.358 122.770 120.300 0.187 0.000 2.442 40 Y HA 0.394 4.941 4.550 -0.005 0.000 0.330 40 Y C 0.639 176.572 175.900 0.055 0.000 1.129 40 Y CA -0.084 57.977 58.100 -0.064 0.000 1.365 40 Y CB 0.560 38.984 38.460 -0.060 0.000 1.233 40 Y HN 0.525 8.805 8.280 -0.000 0.000 0.529 41 V N 3.494 123.061 119.914 -0.579 0.000 2.735 41 V HA 0.099 4.215 4.120 -0.006 0.000 0.234 41 V C 0.167 175.930 176.094 -0.552 0.000 1.121 41 V CA 0.520 62.606 62.300 -0.356 0.000 1.160 41 V CB 0.357 32.084 31.823 -0.160 0.000 0.908 41 V HN 0.830 9.020 8.190 -0.000 0.000 0.495 42 c N -1.565 116.533 118.600 -0.837 0.000 3.320 42 c HA 0.711 5.278 4.570 -0.006 0.000 0.335 42 c C 0.537 174.401 174.090 -0.375 0.000 1.430 42 c CA -0.603 55.413 56.329 -0.521 0.000 1.271 42 c CB 0.955 43.196 42.510 -0.448 0.000 1.609 42 c HN 0.566 8.796 8.230 -0.000 0.000 0.457 43 G N -0.421 108.365 108.800 -0.023 0.000 2.535 43 G HA2 0.769 4.726 3.960 -0.006 0.000 0.303 43 G HA3 0.769 4.726 3.960 -0.006 0.000 0.303 43 G C -0.252 174.564 174.900 -0.141 0.000 1.237 43 G CA 0.275 45.379 45.100 0.007 0.000 0.986 43 G HN 1.465 9.755 8.290 -0.000 0.000 0.494 44 G N -1.891 106.724 108.800 -0.308 0.000 2.550 44 G HA2 0.544 4.501 3.960 -0.006 0.000 0.293 44 G HA3 0.544 4.501 3.960 -0.006 0.000 0.293 44 G C -1.378 173.466 174.900 -0.094 0.000 1.402 44 G CA -0.283 44.743 45.100 -0.124 0.000 0.784 44 G HN 0.923 9.213 8.290 -0.000 0.000 0.482 45 S N -0.866 114.860 115.700 0.042 0.000 2.547 45 S HA 0.531 4.997 4.470 -0.006 0.000 0.281 45 S C -1.106 173.568 174.600 0.124 0.000 1.118 45 S CA -0.513 57.778 58.200 0.152 0.000 0.947 45 S CB 1.834 65.142 63.200 0.181 0.000 1.053 45 S HN 0.759 9.069 8.310 -0.000 0.000 0.482 46 L N 4.506 125.831 121.223 0.169 0.000 2.295 46 L HA 0.454 4.791 4.340 -0.006 0.000 0.288 46 L C 0.604 177.552 176.870 0.129 0.000 1.079 46 L CA 0.057 54.971 54.840 0.122 0.000 0.830 46 L CB -0.063 42.065 42.059 0.116 0.000 1.200 46 L HN 0.814 9.044 8.230 -0.000 0.000 0.438 47 I N 1.086 121.722 120.570 0.110 0.000 3.783 47 I HA 0.338 4.504 4.170 -0.006 0.000 0.310 47 I C 0.359 176.529 176.117 0.090 0.000 1.274 47 I CA 0.216 61.566 61.300 0.083 0.000 1.294 47 I CB -0.071 37.968 38.000 0.065 0.000 1.051 47 I HN 0.596 8.806 8.210 -0.000 0.000 0.435 48 S N -1.029 114.744 115.700 0.121 0.000 2.595 48 S HA 0.464 4.930 4.470 -0.006 0.000 0.270 48 S C -2.528 172.124 174.600 0.086 0.000 1.145 48 S CA -0.863 57.410 58.200 0.122 0.000 0.825 48 S CB 1.371 64.683 63.200 0.187 0.000 1.107 48 S HN -0.238 8.072 8.310 -0.000 0.000 0.461 49 P HA -0.036 4.384 4.420 -0.000 0.000 0.217 49 P C 0.784 178.018 177.300 -0.111 0.000 1.151 49 P CA 1.475 64.567 63.100 -0.013 0.000 0.849 49 P CB -0.105 31.602 31.700 0.012 0.000 0.787 50 c N -5.245 113.292 118.600 -0.104 0.000 3.038 50 c HA 0.241 4.808 4.570 -0.006 0.000 0.279 50 c C 0.350 174.107 174.090 -0.555 0.000 1.276 50 c CA -0.616 55.506 56.329 -0.346 0.000 1.697 50 c CB -1.381 40.893 42.510 -0.393 0.000 2.032 50 c HN 0.197 8.427 8.230 -0.000 0.000 0.636 51 W N 0.016 121.251 121.300 -0.108 0.000 2.656 51 W HA 0.632 5.289 4.660 -0.005 0.000 0.327 51 W C -0.776 175.692 176.519 -0.085 0.000 1.041 51 W CA -0.539 56.750 57.345 -0.094 0.000 1.229 51 W CB 1.004 30.426 29.460 -0.063 0.000 1.397 51 W HN -0.354 7.826 8.180 -0.000 0.000 0.479 52 V N 5.220 125.220 119.914 0.144 0.000 2.495 52 V HA 0.454 4.570 4.120 -0.006 0.000 0.298 52 V C -0.430 175.736 176.094 0.120 0.000 1.031 52 V CA -1.161 61.184 62.300 0.075 0.000 0.871 52 V CB 1.780 33.591 31.823 -0.019 0.000 0.988 52 V HN 0.520 8.710 8.190 -0.000 0.000 0.432 53 I N 3.683 124.318 120.570 0.107 0.000 2.412 53 I HA 0.685 4.852 4.170 -0.006 0.000 0.296 53 I C 0.172 176.341 176.117 0.086 0.000 0.987 53 I CA 0.599 61.966 61.300 0.113 0.000 1.180 53 I CB 1.758 39.826 38.000 0.113 0.000 1.340 53 I HN 0.771 8.981 8.210 -0.000 0.000 0.455 54 S N 4.741 120.501 115.700 0.098 0.000 3.359 54 S HA 0.863 5.330 4.470 -0.006 0.000 0.323 54 S C -1.230 173.405 174.600 0.059 0.000 1.143 54 S CA -0.210 58.044 58.200 0.089 0.000 0.989 54 S CB 1.356 64.662 63.200 0.178 0.000 1.375 54 S HN 0.773 9.083 8.310 -0.000 0.000 0.728 55 A N 0.582 123.401 122.820 -0.002 0.000 2.350 55 A HA 0.622 4.938 4.320 -0.006 0.000 0.324 55 A C 0.736 178.260 177.584 -0.101 0.000 1.118 55 A CA -0.247 51.736 52.037 -0.091 0.000 0.783 55 A CB 0.877 19.766 19.000 -0.185 0.000 1.236 55 A HN 0.703 8.853 8.150 -0.000 0.000 0.457 56 T N 0.890 115.389 114.554 -0.091 0.000 2.833 56 T HA -0.140 4.207 4.350 -0.006 0.000 0.269 56 T C 1.675 176.158 174.700 -0.362 0.000 1.054 56 T CA 1.960 63.973 62.100 -0.144 0.000 1.135 56 T CB -0.478 68.251 68.868 -0.231 0.000 0.869 56 T HN 0.874 9.114 8.240 -0.000 0.000 0.466 57 H N -0.425 118.385 119.070 -0.433 0.000 2.518 57 H HA -0.006 4.547 4.556 -0.006 0.000 0.289 57 H C 1.879 177.044 175.328 -0.272 0.000 1.051 57 H CA 0.939 56.789 56.048 -0.331 0.000 1.280 57 H CB -0.889 28.890 29.762 0.028 0.000 1.380 57 H HN 0.376 8.656 8.280 -0.000 0.000 0.566 58 c N 0.553 118.678 118.600 -0.791 0.000 2.450 58 c HA 0.093 4.659 4.570 -0.006 0.000 0.279 58 c C 0.920 174.508 174.090 -0.837 0.000 1.335 58 c CA 0.110 55.858 56.329 -0.969 0.000 1.749 58 c CB -0.960 40.615 42.510 -1.559 0.000 1.963 58 c HN 0.357 8.587 8.230 -0.000 0.000 0.501 59 F N 0.297 120.145 119.950 -0.169 0.000 2.631 59 F HA 0.564 5.088 4.527 -0.006 0.000 0.350 59 F C -1.735 174.051 175.800 -0.023 0.000 1.080 59 F CA -1.737 56.209 58.000 -0.089 0.000 1.026 59 F CB -0.411 38.443 39.000 -0.244 0.000 1.347 59 F HN -0.217 8.083 8.300 -0.000 0.000 0.501 60 P HA 0.233 4.653 4.420 -0.000 0.000 0.379 60 P C -0.785 176.618 177.300 0.172 0.000 1.415 60 P CA -0.327 62.879 63.100 0.177 0.000 1.586 60 P CB 0.901 32.668 31.700 0.112 0.000 1.708 61 K N 0.729 121.257 120.400 0.214 0.000 2.179 61 K HA 0.150 4.467 4.320 -0.006 0.000 0.238 61 K C 0.845 177.582 176.600 0.229 0.000 1.033 61 K CA -0.304 56.073 56.287 0.151 0.000 0.926 61 K CB 0.480 33.025 32.500 0.075 0.000 1.151 61 K HN -0.256 7.994 8.250 -0.000 0.000 0.492 62 E N -0.078 120.171 120.200 0.081 0.000 4.282 62 E HA -0.328 4.018 4.350 -0.006 0.000 0.207 62 E C 0.557 177.155 176.600 -0.004 0.000 0.798 62 E CA 2.124 58.544 56.400 0.034 0.000 1.138 62 E CB -0.766 28.941 29.700 0.012 0.000 1.605 62 E HN 0.651 9.011 8.360 -0.000 0.000 0.382 63 D N -0.768 119.583 120.400 -0.082 0.000 2.349 63 D HA 0.003 4.639 4.640 -0.006 0.000 0.224 63 D C 0.249 176.324 176.300 -0.375 0.000 1.029 63 D CA 0.499 54.349 54.000 -0.250 0.000 0.879 63 D CB -0.100 40.474 40.800 -0.376 0.000 0.906 63 D HN 0.297 8.667 8.370 -0.000 0.000 0.528 64 Y N -0.169 120.168 120.300 0.062 0.000 2.420 64 Y HA 0.505 5.052 4.550 -0.006 0.000 0.334 64 Y C 0.472 176.420 175.900 0.081 0.000 1.094 64 Y CA -0.831 57.324 58.100 0.092 0.000 1.126 64 Y CB 1.775 40.283 38.460 0.080 0.000 1.217 64 Y HN -0.330 7.950 8.280 -0.000 0.000 0.462 65 I N 2.624 123.380 120.570 0.310 0.000 2.533 65 I HA 0.421 4.588 4.170 -0.006 0.000 0.290 65 I C -1.313 174.979 176.117 0.292 0.000 1.056 65 I CA -0.981 60.442 61.300 0.206 0.000 1.057 65 I CB 1.957 40.052 38.000 0.159 0.000 1.240 65 I HN 0.215 8.425 8.210 -0.000 0.000 0.423 66 V N 6.340 126.362 119.914 0.180 0.000 2.417 66 V HA 0.382 4.498 4.120 -0.006 0.000 0.291 66 V C -1.054 175.172 176.094 0.220 0.000 1.024 66 V CA -0.621 61.818 62.300 0.232 0.000 0.861 66 V CB 1.503 33.405 31.823 0.132 0.000 0.985 66 V HN 0.419 8.609 8.190 -0.000 0.000 0.436 67 Y N 4.876 125.385 120.300 0.348 0.000 2.352 67 Y HA 0.671 5.218 4.550 -0.005 0.000 0.339 67 Y C -0.006 176.076 175.900 0.303 0.000 0.992 67 Y CA -0.477 57.824 58.100 0.335 0.000 1.100 67 Y CB 1.745 40.419 38.460 0.356 0.000 1.192 67 Y HN 0.432 8.712 8.280 -0.000 0.000 0.458 68 L N 1.946 123.450 121.223 0.468 0.000 2.342 68 L HA 0.605 4.942 4.340 -0.006 0.000 0.271 68 L C 0.724 177.786 176.870 0.321 0.000 1.008 68 L CA -0.767 54.279 54.840 0.344 0.000 0.818 68 L CB 2.031 44.275 42.059 0.308 0.000 1.296 68 L HN 0.898 9.128 8.230 -0.000 0.000 0.427 69 G N 1.613 110.561 108.800 0.247 0.000 2.147 69 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.244 69 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.244 69 G C 0.105 175.128 174.900 0.205 0.000 1.005 69 G CA 0.104 45.319 45.100 0.191 0.000 0.713 69 G HN 0.604 8.894 8.290 -0.000 0.000 0.515 70 R N 0.069 120.736 120.500 0.278 0.000 2.295 70 R HA 0.624 4.961 4.340 -0.006 0.000 0.324 70 R C 1.166 177.657 176.300 0.318 0.000 0.968 70 R CA 0.065 56.328 56.100 0.271 0.000 0.837 70 R CB 0.747 31.225 30.300 0.297 0.000 1.133 70 R HN 0.073 8.343 8.270 -0.000 0.000 0.450 71 S N 3.080 118.919 115.700 0.231 0.000 2.492 71 S HA 0.201 4.668 4.470 -0.006 0.000 0.218 71 S C 0.241 175.059 174.600 0.364 0.000 1.016 71 S CA 0.148 58.478 58.200 0.216 0.000 0.916 71 S CB 0.314 63.572 63.200 0.096 0.000 0.791 71 S HN 0.540 8.850 8.310 -0.000 0.000 0.513 72 R N 0.522 121.187 120.500 0.276 0.000 2.711 72 R HA 0.425 4.761 4.340 -0.006 0.000 0.284 72 R C 0.591 176.831 176.300 -0.100 0.000 0.968 72 R CA -0.504 55.694 56.100 0.165 0.000 0.924 72 R CB 1.204 31.534 30.300 0.050 0.000 1.162 72 R HN 0.079 8.349 8.270 -0.000 0.000 0.465 73 L N 1.373 122.366 121.223 -0.383 0.000 1.994 73 L HA -0.141 4.196 4.340 -0.006 0.000 0.208 73 L C 0.608 177.367 176.870 -0.186 0.000 1.071 73 L CA 1.603 56.085 54.840 -0.596 0.000 0.745 73 L CB 0.063 41.791 42.059 -0.552 0.000 0.892 73 L HN 0.637 8.867 8.230 -0.000 0.000 0.431 74 N N -0.495 118.127 118.700 -0.130 0.000 2.291 74 N HA 0.097 4.834 4.740 -0.006 0.000 0.244 74 N C -0.675 174.771 175.510 -0.106 0.000 1.216 74 N CA 0.184 53.176 53.050 -0.095 0.000 0.879 74 N CB 0.973 39.431 38.487 -0.048 0.000 1.167 74 N HN 0.219 8.599 8.380 -0.000 0.000 0.515 75 S N -0.523 115.108 115.700 -0.114 0.000 2.595 75 S HA 0.443 4.910 4.470 -0.006 0.000 0.281 75 S C -0.566 173.972 174.600 -0.103 0.000 1.117 75 S CA -0.993 57.153 58.200 -0.090 0.000 0.873 75 S CB 1.951 65.119 63.200 -0.054 0.000 1.108 75 S HN -0.044 8.266 8.310 -0.000 0.000 0.477 76 N N 1.120 119.773 118.700 -0.079 0.000 2.525 76 N HA 0.348 5.084 4.740 -0.006 0.000 0.271 76 N C -0.654 174.845 175.510 -0.018 0.000 1.194 76 N CA 0.181 53.195 53.050 -0.060 0.000 0.964 76 N CB 0.968 39.438 38.487 -0.030 0.000 1.126 76 N HN 0.657 9.037 8.380 -0.000 0.000 0.452 77 T N 0.768 115.327 114.554 0.009 0.000 2.863 77 T HA 0.136 4.483 4.350 -0.006 0.000 0.285 77 T C -0.001 174.725 174.700 0.043 0.000 1.009 77 T CA -0.611 61.510 62.100 0.034 0.000 0.989 77 T CB 2.039 70.945 68.868 0.063 0.000 1.004 77 T HN 0.351 8.591 8.240 -0.000 0.000 0.455 78 Q N 0.962 120.783 119.800 0.035 0.000 2.289 78 Q HA 0.372 4.708 4.340 -0.006 0.000 0.273 78 Q C 1.160 177.188 176.000 0.047 0.000 1.029 78 Q CA 1.190 57.014 55.803 0.034 0.000 0.896 78 Q CB -0.039 28.713 28.738 0.023 0.000 1.182 78 Q HN 1.096 9.366 8.270 -0.000 0.000 0.385 79 G N 2.827 111.657 108.800 0.050 0.000 2.195 79 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.246 79 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.246 79 G C -0.106 174.847 174.900 0.087 0.000 0.984 79 G CA 0.330 45.465 45.100 0.059 0.000 0.633 79 G HN 0.778 9.068 8.290 -0.000 0.000 0.525 80 E N 0.562 120.826 120.200 0.107 0.000 2.418 80 E HA 0.537 4.883 4.350 -0.006 0.000 0.261 80 E C 0.069 176.757 176.600 0.147 0.000 1.070 80 E CA -0.145 56.357 56.400 0.170 0.000 0.931 80 E CB 0.501 30.326 29.700 0.209 0.000 0.954 80 E HN 0.139 8.499 8.360 -0.000 0.000 0.439 81 M N 1.994 121.701 119.600 0.178 0.000 2.327 81 M HA 0.303 4.780 4.480 -0.006 0.000 0.298 81 M C -0.688 175.492 176.300 -0.200 0.000 1.065 81 M CA -0.715 54.564 55.300 -0.036 0.000 0.916 81 M CB 1.805 34.392 32.600 -0.021 0.000 1.630 81 M HN 0.623 8.913 8.290 -0.000 0.000 0.442 82 K N 2.133 122.215 120.400 -0.530 0.000 2.156 82 K HA 0.743 5.060 4.320 -0.006 0.000 0.271 82 K C -1.756 174.350 176.600 -0.824 0.000 0.995 82 K CA -0.090 55.749 56.287 -0.746 0.000 0.890 82 K CB 1.012 33.136 32.500 -0.627 0.000 1.073 82 K HN 0.477 8.727 8.250 -0.000 0.000 0.454 83 F N 1.426 121.206 119.950 -0.283 0.000 2.588 83 F HA 0.322 4.847 4.527 -0.004 0.000 0.310 83 F C 0.198 175.921 175.800 -0.129 0.000 1.082 83 F CA -0.960 56.944 58.000 -0.160 0.000 0.929 83 F CB 1.849 40.779 39.000 -0.117 0.000 1.254 83 F HN 0.385 8.685 8.300 -0.000 0.000 0.455 84 E N 0.802 121.059 120.200 0.095 0.000 2.254 84 E HA 0.466 4.813 4.350 -0.006 0.000 0.261 84 E C -0.998 175.625 176.600 0.038 0.000 1.051 84 E CA -0.706 55.721 56.400 0.044 0.000 0.902 84 E CB 2.338 32.043 29.700 0.008 0.000 1.168 84 E HN 0.235 8.595 8.360 -0.000 0.000 0.423 85 V N 2.103 122.031 119.914 0.022 0.000 2.334 85 V HA 0.030 4.147 4.120 -0.006 0.000 0.267 85 V C 1.462 177.521 176.094 -0.059 0.000 1.040 85 V CA 0.039 62.318 62.300 -0.035 0.000 0.866 85 V CB 0.988 32.798 31.823 -0.022 0.000 1.019 85 V HN 0.710 8.900 8.190 -0.000 0.000 0.468 86 E N 4.645 124.776 120.200 -0.114 0.000 2.072 86 E HA -0.055 4.292 4.350 -0.006 0.000 0.190 86 E C 0.769 177.304 176.600 -0.109 0.000 0.982 86 E CA 0.714 57.045 56.400 -0.115 0.000 0.803 86 E CB 0.290 29.891 29.700 -0.165 0.000 0.755 86 E HN 0.781 9.141 8.360 -0.000 0.000 0.453 87 N N -0.391 118.219 118.700 -0.150 0.000 2.369 87 N HA 0.215 4.951 4.740 -0.006 0.000 0.287 87 N C -2.130 173.319 175.510 -0.101 0.000 1.067 87 N CA -0.575 52.419 53.050 -0.093 0.000 0.888 87 N CB 1.318 39.772 38.487 -0.056 0.000 1.616 87 N HN -0.030 8.350 8.380 -0.000 0.000 0.482 88 L N 5.814 126.983 121.223 -0.091 0.000 2.301 88 L HA 0.571 4.908 4.340 -0.006 0.000 0.278 88 L C -1.265 175.551 176.870 -0.090 0.000 1.022 88 L CA -0.397 54.340 54.840 -0.171 0.000 0.854 88 L CB 0.662 42.577 42.059 -0.241 0.000 1.226 88 L HN 0.492 8.722 8.230 -0.000 0.000 0.429 89 I N 6.318 126.860 120.570 -0.047 0.000 2.307 89 I HA 0.295 4.462 4.170 -0.006 0.000 0.289 89 I C -0.417 175.737 176.117 0.062 0.000 1.021 89 I CA -0.364 60.930 61.300 -0.010 0.000 1.224 89 I CB 0.809 38.764 38.000 -0.075 0.000 1.376 89 I HN 0.436 8.646 8.210 -0.000 0.000 0.470 90 L N 5.289 126.560 121.223 0.080 0.000 2.360 90 L HA 0.394 4.730 4.340 -0.006 0.000 0.271 90 L C 0.093 177.109 176.870 0.242 0.000 1.057 90 L CA -0.866 54.056 54.840 0.138 0.000 0.803 90 L CB 1.090 43.199 42.059 0.084 0.000 1.207 90 L HN 0.516 8.746 8.230 -0.000 0.000 0.445 91 H N 1.499 120.642 119.070 0.122 0.000 2.767 91 H HA 0.007 4.560 4.556 -0.006 0.000 0.316 91 H C 0.849 176.268 175.328 0.152 0.000 1.059 91 H CA 0.281 56.373 56.048 0.073 0.000 1.461 91 H CB 0.992 30.555 29.762 -0.332 0.000 1.475 91 H HN 0.497 8.777 8.280 -0.000 0.000 0.531 92 K N 2.675 123.165 120.400 0.151 0.000 2.147 92 K HA -0.131 4.185 4.320 -0.006 0.000 0.205 92 K C 0.138 176.911 176.600 0.287 0.000 1.049 92 K CA 1.573 57.982 56.287 0.203 0.000 0.936 92 K CB 0.266 32.851 32.500 0.141 0.000 0.722 92 K HN 0.691 8.941 8.250 -0.000 0.000 0.446 93 D N 0.018 120.705 120.400 0.478 0.000 2.434 93 D HA -0.040 4.596 4.640 -0.006 0.000 0.232 93 D C -0.567 175.858 176.300 0.207 0.000 1.166 93 D CA -0.044 54.141 54.000 0.309 0.000 0.830 93 D CB -0.367 40.602 40.800 0.282 0.000 0.960 93 D HN 0.211 8.581 8.370 -0.000 0.000 0.497 94 Y N 2.251 122.641 120.300 0.149 0.000 2.411 94 Y HA 0.285 4.832 4.550 -0.005 0.000 0.333 94 Y C 0.237 176.172 175.900 0.057 0.000 1.186 94 Y CA -0.429 57.718 58.100 0.078 0.000 1.381 94 Y CB 0.633 39.148 38.460 0.092 0.000 1.273 94 Y HN -0.047 8.233 8.280 -0.000 0.000 0.546 95 S N 3.662 118.726 115.700 -1.059 0.000 2.558 95 S HA 0.850 5.316 4.470 -0.006 0.000 0.277 95 S C -1.485 172.620 174.600 -0.824 0.000 1.143 95 S CA -0.582 57.161 58.200 -0.761 0.000 0.865 95 S CB 0.729 63.731 63.200 -0.331 0.000 1.102 95 S HN 1.228 9.538 8.310 -0.000 0.000 0.454 96 A N 2.001 124.450 122.820 -0.619 0.000 2.386 96 A HA 0.821 5.137 4.320 -0.006 0.000 0.308 96 A C 1.101 178.437 177.584 -0.414 0.000 1.128 96 A CA -1.212 50.428 52.037 -0.662 0.000 0.789 96 A CB 0.403 18.928 19.000 -0.792 0.000 1.325 96 A HN 1.097 9.247 8.150 -0.000 0.000 0.437 97 L N 0.481 121.488 121.223 -0.360 0.000 2.058 97 L HA -0.297 4.040 4.340 -0.006 0.000 0.226 97 L C 1.861 178.018 176.870 -1.188 0.000 1.089 97 L CA 1.884 56.407 54.840 -0.527 0.000 0.799 97 L CB -0.880 40.948 42.059 -0.386 0.000 0.900 97 L HN 0.815 9.045 8.230 -0.000 0.000 0.442 98 A N -0.345 121.615 122.820 -1.434 0.000 2.477 98 A HA 0.131 4.448 4.320 -0.006 0.000 0.246 98 A C -0.179 176.656 177.584 -1.248 0.000 1.078 98 A CA 0.079 50.999 52.037 -1.862 0.000 0.770 98 A CB -0.180 18.177 19.000 -1.071 0.000 1.011 98 A HN 0.316 8.466 8.150 -0.000 0.000 0.494 99 H N 2.371 120.693 119.070 -1.246 0.000 2.551 99 H HA 0.250 4.803 4.556 -0.005 0.000 0.321 99 H C -0.643 174.443 175.328 -0.403 0.000 1.028 99 H CA -0.441 55.274 56.048 -0.555 0.000 1.215 99 H CB 0.748 30.404 29.762 -0.176 0.000 1.414 99 H HN 0.752 9.032 8.280 -0.000 0.000 0.480 100 H N 3.049 121.994 119.070 -0.208 0.000 2.487 100 H HA 0.039 4.592 4.556 -0.006 0.000 0.333 100 H C 0.542 175.836 175.328 -0.058 0.000 1.114 100 H CA -0.505 55.486 56.048 -0.095 0.000 1.310 100 H CB 1.087 30.755 29.762 -0.156 0.000 1.462 100 H HN 0.719 8.999 8.280 -0.000 0.000 0.516 101 N N 1.836 120.593 118.700 0.094 0.000 2.725 101 N HA -0.200 4.536 4.740 -0.006 0.000 0.251 101 N C -0.546 174.884 175.510 -0.133 0.000 1.031 101 N CA 0.601 53.549 53.050 -0.170 0.000 0.720 101 N CB -0.892 37.321 38.487 -0.455 0.000 0.930 101 N HN 0.641 9.021 8.380 -0.000 0.000 0.543 102 D N 1.191 121.597 120.400 0.010 0.000 2.551 102 D HA 0.390 5.026 4.640 -0.006 0.000 0.223 102 D C 0.061 176.276 176.300 -0.141 0.000 1.144 102 D CA 0.102 54.179 54.000 0.128 0.000 1.025 102 D CB -0.236 40.739 40.800 0.292 0.000 1.085 102 D HN 0.478 8.848 8.370 -0.000 0.000 0.506 103 I N 0.784 121.192 120.570 -0.269 0.000 2.752 103 I HA 0.649 4.815 4.170 -0.006 0.000 0.295 103 I C -1.805 174.223 176.117 -0.148 0.000 1.219 103 I CA -0.560 60.543 61.300 -0.328 0.000 1.030 103 I CB 1.725 39.267 38.000 -0.763 0.000 1.259 103 I HN 0.221 8.431 8.210 -0.000 0.000 0.423 104 A N 7.132 129.987 122.820 0.057 0.000 2.587 104 A HA 0.846 5.163 4.320 -0.006 0.000 0.293 104 A C -2.124 175.593 177.584 0.222 0.000 1.087 104 A CA -0.559 51.602 52.037 0.206 0.000 0.692 104 A CB 1.820 20.909 19.000 0.149 0.000 1.291 104 A HN 0.629 8.779 8.150 -0.000 0.000 0.407 105 L N 0.764 122.107 121.223 0.199 0.000 2.365 105 L HA 0.644 4.981 4.340 -0.006 0.000 0.273 105 L C -1.484 175.460 176.870 0.122 0.000 1.000 105 L CA -0.718 54.234 54.840 0.187 0.000 0.819 105 L CB 1.929 44.064 42.059 0.126 0.000 1.284 105 L HN 0.575 8.805 8.230 -0.000 0.000 0.418 106 L N 3.579 124.871 121.223 0.115 0.000 2.372 106 L HA 0.410 4.746 4.340 -0.006 0.000 0.274 106 L C -0.231 176.535 176.870 -0.173 0.000 0.988 106 L CA -0.205 54.582 54.840 -0.088 0.000 0.833 106 L CB 1.676 43.605 42.059 -0.216 0.000 1.236 106 L HN 0.385 8.615 8.230 -0.000 0.000 0.410 107 K N 4.840 124.977 120.400 -0.439 0.000 2.285 107 K HA 0.546 4.863 4.320 -0.006 0.000 0.286 107 K C -0.341 175.956 176.600 -0.506 0.000 1.072 107 K CA -0.401 55.328 56.287 -0.929 0.000 0.913 107 K CB 0.576 32.348 32.500 -1.213 0.000 1.067 107 K HN 0.665 8.915 8.250 -0.000 0.000 0.479 108 I N 1.571 121.858 120.570 -0.472 0.000 2.664 108 I HA 0.624 4.790 4.170 -0.006 0.000 0.308 108 I C -0.537 175.459 176.117 -0.202 0.000 0.984 108 I CA -0.982 60.137 61.300 -0.302 0.000 1.213 108 I CB 1.557 39.293 38.000 -0.440 0.000 1.379 108 I HN 0.696 8.906 8.210 -0.000 0.000 0.501 109 R N 1.959 122.489 120.500 0.051 0.000 2.712 109 R HA 0.517 4.853 4.340 -0.006 0.000 0.272 109 R C -1.096 175.354 176.300 0.250 0.000 1.032 109 R CA -1.123 55.065 56.100 0.146 0.000 0.874 109 R CB 0.723 31.021 30.300 -0.003 0.000 1.256 109 R HN 0.701 8.971 8.270 -0.000 0.000 0.468 110 R N 0.095 120.617 120.500 0.037 0.000 2.342 110 R HA -0.237 4.100 4.340 -0.006 0.000 0.302 110 R C -0.243 176.143 176.300 0.144 0.000 0.963 110 R CA 1.205 57.344 56.100 0.065 0.000 0.995 110 R CB -0.427 29.911 30.300 0.062 0.000 0.789 110 R HN 0.620 8.890 8.270 -0.000 0.000 0.420 111 c N 0.547 119.204 118.600 0.096 0.000 2.551 111 c HA 0.582 5.148 4.570 -0.006 0.000 0.377 111 c C 1.073 175.255 174.090 0.153 0.000 1.622 111 c CA -0.262 56.094 56.329 0.045 0.000 1.980 111 c CB 0.826 43.297 42.510 -0.064 0.000 1.946 111 c HN 0.862 9.092 8.230 -0.000 0.000 0.525 112 A N 0.893 123.692 122.820 -0.037 0.000 2.483 112 A HA 0.359 4.676 4.320 -0.006 0.000 0.238 112 A C -0.277 177.383 177.584 0.127 0.000 1.070 112 A CA 0.382 52.480 52.037 0.102 0.000 0.770 112 A CB 0.118 19.065 19.000 -0.088 0.000 1.008 112 A HN 0.780 8.930 8.150 -0.000 0.000 0.497 113 Q N 1.205 121.105 119.800 0.166 0.000 2.333 113 Q HA 0.406 4.743 4.340 -0.006 0.000 0.265 113 Q C -2.552 173.508 176.000 0.100 0.000 0.989 113 Q CA -1.814 54.055 55.803 0.110 0.000 0.842 113 Q CB 1.153 29.950 28.738 0.098 0.000 1.262 113 Q HN 0.467 8.737 8.270 -0.000 0.000 0.451 114 P HA 0.090 4.510 4.420 -0.000 0.000 0.268 114 P C -0.432 176.911 177.300 0.071 0.000 1.205 114 P CA 0.298 63.444 63.100 0.078 0.000 0.771 114 P CB 0.823 32.564 31.700 0.068 0.000 0.858 115 S N 1.132 116.875 115.700 0.072 0.000 2.800 115 S HA 0.383 4.850 4.470 -0.006 0.000 0.293 115 S C 0.687 175.320 174.600 0.054 0.000 1.209 115 S CA -0.922 57.314 58.200 0.060 0.000 0.884 115 S CB 1.205 64.443 63.200 0.063 0.000 1.244 115 S HN 0.317 8.627 8.310 -0.000 0.000 0.540 116 R N 0.225 120.751 120.500 0.043 0.000 2.235 116 R HA 0.051 4.388 4.340 -0.006 0.000 0.213 116 R C 1.293 177.606 176.300 0.023 0.000 1.059 116 R CA 1.690 57.810 56.100 0.032 0.000 0.997 116 R CB -0.432 29.883 30.300 0.025 0.000 0.884 116 R HN 0.854 9.124 8.270 -0.000 0.000 0.462 117 T N -3.112 111.463 114.554 0.034 0.000 3.040 117 T HA 0.347 4.694 4.350 -0.006 0.000 0.266 117 T C 0.502 175.231 174.700 0.047 0.000 1.005 117 T CA -0.345 61.772 62.100 0.027 0.000 0.906 117 T CB 0.304 69.200 68.868 0.045 0.000 1.082 117 T HN -0.024 8.216 8.240 -0.000 0.000 0.531 118 I N 1.603 122.214 120.570 0.068 0.000 2.503 118 I HA 0.460 4.627 4.170 -0.006 0.000 0.282 118 I C -1.075 175.104 176.117 0.104 0.000 1.059 118 I CA -0.607 60.750 61.300 0.096 0.000 1.081 118 I CB 1.900 39.974 38.000 0.124 0.000 1.210 118 I HN 0.097 8.307 8.210 -0.000 0.000 0.450 119 Q N 3.056 122.937 119.800 0.135 0.000 2.462 119 Q HA 0.482 4.819 4.340 -0.006 0.000 0.285 119 Q C -0.564 175.585 176.000 0.249 0.000 1.035 119 Q CA -0.977 54.932 55.803 0.177 0.000 0.799 119 Q CB 3.089 31.947 28.738 0.199 0.000 1.452 119 Q HN 0.687 8.957 8.270 -0.000 0.000 0.404 120 T N -1.590 113.085 114.554 0.203 0.000 2.874 120 T HA 0.666 5.012 4.350 -0.006 0.000 0.281 120 T C -0.332 174.479 174.700 0.185 0.000 0.994 120 T CA -0.580 61.632 62.100 0.187 0.000 1.015 120 T CB 0.805 69.738 68.868 0.107 0.000 1.028 120 T HN 0.426 8.666 8.240 -0.000 0.000 0.523 121 I N 0.820 121.430 120.570 0.067 0.000 2.474 121 I HA 0.474 4.640 4.170 -0.006 0.000 0.294 121 I C -0.123 175.916 176.117 -0.130 0.000 1.005 121 I CA -0.341 60.849 61.300 -0.183 0.000 1.113 121 I CB 1.998 39.678 38.000 -0.534 0.000 1.289 121 I HN 0.814 9.024 8.210 -0.000 0.000 0.436 122 S N 6.738 122.348 115.700 -0.149 0.000 2.564 122 S HA 0.453 4.919 4.470 -0.006 0.000 0.278 122 S C -0.017 174.528 174.600 -0.092 0.000 1.333 122 S CA -0.466 57.678 58.200 -0.092 0.000 1.048 122 S CB 0.309 63.460 63.200 -0.081 0.000 0.900 122 S HN 0.486 8.796 8.310 -0.000 0.000 0.505 123 L N 3.282 124.474 121.223 -0.052 0.000 2.421 123 L HA 0.406 4.743 4.340 -0.006 0.000 0.263 123 L C -2.020 174.830 176.870 -0.032 0.000 1.122 123 L CA -2.022 52.799 54.840 -0.033 0.000 0.804 123 L CB 0.222 42.273 42.059 -0.012 0.000 1.150 123 L HN 0.387 8.617 8.230 -0.000 0.000 0.457 124 P HA 0.217 4.637 4.420 -0.000 0.000 0.277 124 P C -1.089 176.201 177.300 -0.017 0.000 1.271 124 P CA -0.503 62.589 63.100 -0.015 0.000 0.795 124 P CB 0.796 32.502 31.700 0.010 0.000 1.101 125 S N 0.323 116.011 115.700 -0.020 0.000 2.646 125 S HA 0.356 4.822 4.470 -0.006 0.000 0.276 125 S C 0.273 174.844 174.600 -0.048 0.000 1.222 125 S CA -0.555 57.626 58.200 -0.032 0.000 1.014 125 S CB 0.142 63.328 63.200 -0.024 0.000 0.991 125 S HN 0.334 8.644 8.310 -0.000 0.000 0.533 126 M N 2.692 122.234 119.600 -0.097 0.000 2.408 126 M HA -0.002 4.475 4.480 -0.006 0.000 0.363 126 M C -0.280 175.948 176.300 -0.120 0.000 1.636 126 M CA 0.949 56.115 55.300 -0.223 0.000 1.029 126 M CB -1.636 30.817 32.600 -0.244 0.000 2.068 126 M HN 0.804 9.094 8.290 -0.000 0.000 0.466 127 Y N 0.417 120.703 120.300 -0.024 0.000 3.491 127 Y HA -0.315 4.232 4.550 -0.006 0.000 0.215 127 Y C 0.404 176.304 175.900 -0.001 0.000 1.219 127 Y CA 0.084 58.175 58.100 -0.016 0.000 1.485 127 Y CB -1.625 36.787 38.460 -0.079 0.000 1.450 127 Y HN 0.719 8.999 8.280 -0.000 0.000 0.603 128 N N 1.804 120.573 118.700 0.115 0.000 2.898 128 N HA 0.188 4.925 4.740 -0.006 0.000 0.245 128 N C -1.224 174.298 175.510 0.019 0.000 1.185 128 N CA -0.388 52.690 53.050 0.047 0.000 0.879 128 N CB 0.542 39.038 38.487 0.014 0.000 1.157 128 N HN 0.153 8.533 8.380 -0.000 0.000 0.503 129 D N 1.565 121.965 120.400 -0.001 0.000 2.268 129 D HA 0.372 5.008 4.640 -0.006 0.000 0.249 129 D C -2.178 174.041 176.300 -0.135 0.000 1.008 129 D CA -1.200 52.767 54.000 -0.055 0.000 0.939 129 D CB 1.432 42.197 40.800 -0.058 0.000 1.170 129 D HN 0.322 8.692 8.370 -0.000 0.000 0.468 130 P HA 0.049 4.469 4.420 -0.000 0.000 0.272 130 P C -0.214 176.919 177.300 -0.277 0.000 1.223 130 P CA -0.335 62.671 63.100 -0.157 0.000 0.784 130 P CB 0.571 32.205 31.700 -0.111 0.000 0.923 131 Q N 1.481 121.148 119.800 -0.222 0.000 2.361 131 Q HA 0.125 4.461 4.340 -0.006 0.000 0.276 131 Q C -0.011 175.862 176.000 -0.212 0.000 1.022 131 Q CA 0.418 56.064 55.803 -0.262 0.000 0.898 131 Q CB 0.021 28.688 28.738 -0.119 0.000 1.246 131 Q HN 0.421 8.691 8.270 -0.000 0.000 0.410 132 F N 0.165 120.110 119.950 -0.009 0.000 2.572 132 F HA 0.180 4.703 4.527 -0.006 0.000 0.370 132 F C 1.653 177.440 175.800 -0.022 0.000 1.103 132 F CA 1.211 59.203 58.000 -0.014 0.000 1.286 132 F CB 0.449 39.446 39.000 -0.005 0.000 1.105 132 F HN 0.816 9.116 8.300 -0.000 0.000 0.583 133 G N 1.419 110.322 108.800 0.171 0.000 2.201 133 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.212 133 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.212 133 G C 0.126 175.040 174.900 0.023 0.000 0.994 133 G CA -0.215 44.925 45.100 0.067 0.000 0.644 133 G HN 0.653 8.943 8.290 -0.000 0.000 0.508 134 T N 2.209 116.774 114.554 0.019 0.000 2.884 134 T HA 0.513 4.860 4.350 -0.006 0.000 0.298 134 T C 0.665 175.350 174.700 -0.025 0.000 0.998 134 T CA 0.580 62.671 62.100 -0.015 0.000 1.124 134 T CB 1.390 70.237 68.868 -0.035 0.000 0.931 134 T HN 0.276 8.516 8.240 -0.000 0.000 0.531 135 S N 1.721 117.400 115.700 -0.034 0.000 2.545 135 S HA 0.433 4.900 4.470 -0.006 0.000 0.275 135 S C -0.052 174.517 174.600 -0.051 0.000 1.299 135 S CA -0.721 57.453 58.200 -0.044 0.000 1.048 135 S CB 0.088 63.264 63.200 -0.040 0.000 0.938 135 S HN 0.788 9.098 8.310 -0.000 0.000 0.496 136 c N 1.942 120.503 118.600 -0.066 0.000 3.090 136 c HA 0.644 5.210 4.570 -0.006 0.000 0.305 136 c C -0.263 173.785 174.090 -0.070 0.000 1.292 136 c CA -1.058 55.225 56.329 -0.077 0.000 1.482 136 c CB 1.548 43.987 42.510 -0.119 0.000 1.897 136 c HN 0.978 9.208 8.230 -0.000 0.000 0.469 137 E N 1.616 121.788 120.200 -0.046 0.000 2.207 137 E HA 0.827 5.173 4.350 -0.006 0.000 0.270 137 E C -1.190 175.405 176.600 -0.009 0.000 0.927 137 E CA -0.532 55.856 56.400 -0.020 0.000 0.799 137 E CB 1.575 31.289 29.700 0.023 0.000 1.172 137 E HN 0.734 9.094 8.360 -0.000 0.000 0.404 138 I N -1.057 119.509 120.570 -0.006 0.000 2.740 138 I HA 0.645 4.811 4.170 -0.006 0.000 0.303 138 I C -0.893 175.215 176.117 -0.015 0.000 1.044 138 I CA -0.803 60.515 61.300 0.029 0.000 1.064 138 I CB 2.459 40.499 38.000 0.067 0.000 1.249 138 I HN 0.438 8.648 8.210 -0.000 0.000 0.433 139 T N 2.344 116.887 114.554 -0.019 0.000 2.909 139 T HA 0.875 5.221 4.350 -0.006 0.000 0.299 139 T C -0.246 174.268 174.700 -0.310 0.000 1.073 139 T CA -0.757 61.202 62.100 -0.234 0.000 0.999 139 T CB 1.940 70.609 68.868 -0.332 0.000 1.098 139 T HN 1.261 9.501 8.240 -0.000 0.000 0.477 140 G N 0.115 108.582 108.800 -0.555 0.000 2.338 140 G HA2 0.451 4.408 3.960 -0.006 0.000 0.295 140 G HA3 0.451 4.408 3.960 -0.006 0.000 0.295 140 G C -1.331 173.265 174.900 -0.506 0.000 1.461 140 G CA -0.751 44.088 45.100 -0.435 0.000 0.817 140 G HN 0.503 8.793 8.290 -0.000 0.000 0.556 141 F N 1.514 121.310 119.950 -0.256 0.000 2.668 141 F HA 0.405 4.929 4.527 -0.005 0.000 0.297 141 F C 1.720 177.236 175.800 -0.473 0.000 1.124 141 F CA -0.032 57.734 58.000 -0.390 0.000 1.353 141 F CB 0.682 39.260 39.000 -0.705 0.000 0.992 141 F HN 0.636 8.936 8.300 -0.000 0.000 0.524 142 G N 0.317 108.988 108.800 -0.215 0.000 2.651 142 G HA2 0.121 4.077 3.960 -0.006 0.000 0.260 142 G HA3 0.121 4.077 3.960 -0.006 0.000 0.260 142 G C 0.115 174.969 174.900 -0.076 0.000 1.216 142 G CA -0.723 44.209 45.100 -0.281 0.000 0.913 142 G HN -0.066 8.224 8.290 -0.000 0.000 0.535 143 K N 0.236 120.681 120.400 0.074 0.000 2.527 143 K HA -0.027 4.290 4.320 -0.006 0.000 0.278 143 K C 0.982 177.623 176.600 0.070 0.000 0.981 143 K CA 0.419 56.808 56.287 0.171 0.000 1.009 143 K CB 0.978 33.589 32.500 0.184 0.000 0.895 143 K HN 0.672 8.922 8.250 -0.000 0.000 0.493 144 E N 1.211 121.450 120.200 0.065 0.000 2.400 144 E HA -0.016 4.331 4.350 -0.006 0.000 0.195 144 E C -0.327 176.290 176.600 0.029 0.000 1.012 144 E CA 0.372 56.784 56.400 0.019 0.000 0.875 144 E CB 0.244 29.958 29.700 0.024 0.000 0.859 144 E HN 0.523 8.883 8.360 -0.000 0.000 0.498 145 N N -1.226 117.506 118.700 0.052 0.000 2.331 145 N HA 0.117 4.853 4.740 -0.006 0.000 0.280 145 N C -0.163 175.388 175.510 0.069 0.000 1.155 145 N CA -0.268 52.813 53.050 0.052 0.000 0.822 145 N CB 2.004 40.520 38.487 0.048 0.000 1.619 145 N HN -0.249 8.131 8.380 -0.000 0.000 0.476 146 S N -0.460 115.279 115.700 0.064 0.000 2.370 146 S HA -0.204 4.263 4.470 -0.006 0.000 0.226 146 S C 1.913 176.562 174.600 0.082 0.000 1.033 146 S CA 2.010 60.253 58.200 0.072 0.000 1.011 146 S CB -0.475 62.760 63.200 0.058 0.000 0.852 146 S HN 0.869 9.179 8.310 -0.000 0.000 0.457 147 T N -0.166 114.433 114.554 0.076 0.000 3.113 147 T HA 0.013 4.359 4.350 -0.006 0.000 0.263 147 T C 0.204 174.978 174.700 0.123 0.000 1.143 147 T CA 0.267 62.421 62.100 0.089 0.000 1.090 147 T CB -0.354 68.559 68.868 0.075 0.000 0.922 147 T HN 0.068 8.308 8.240 -0.000 0.000 0.521 148 D N 1.597 122.059 120.400 0.103 0.000 2.372 148 D HA 0.185 4.822 4.640 -0.006 0.000 0.243 148 D C 0.519 176.891 176.300 0.120 0.000 1.121 148 D CA -0.253 53.792 54.000 0.074 0.000 0.898 148 D CB 0.733 41.550 40.800 0.028 0.000 1.202 148 D HN 0.586 8.956 8.370 -0.000 0.000 0.428 149 Y N -0.606 119.695 120.300 0.001 0.000 2.453 149 Y HA 0.419 4.966 4.550 -0.006 0.000 0.247 149 Y C -0.124 175.696 175.900 -0.134 0.000 1.124 149 Y CA -0.542 57.530 58.100 -0.046 0.000 1.243 149 Y CB 0.198 38.638 38.460 -0.035 0.000 1.213 149 Y HN 0.072 8.352 8.280 -0.000 0.000 0.523 150 L N 0.701 121.621 121.223 -0.505 0.000 2.319 150 L HA 0.456 4.793 4.340 -0.006 0.000 0.267 150 L C -1.056 175.706 176.870 -0.179 0.000 1.011 150 L CA -1.379 53.202 54.840 -0.431 0.000 0.818 150 L CB 1.453 43.223 42.059 -0.482 0.000 1.316 150 L HN -0.097 8.133 8.230 -0.000 0.000 0.432 151 Y N 1.064 121.329 120.300 -0.058 0.000 2.376 151 Y HA 0.398 4.944 4.550 -0.006 0.000 0.325 151 Y C -1.838 174.054 175.900 -0.013 0.000 1.199 151 Y CA -3.155 54.932 58.100 -0.023 0.000 1.206 151 Y CB 0.054 38.493 38.460 -0.035 0.000 1.229 151 Y HN 0.306 8.586 8.280 -0.000 0.000 0.480 152 P HA 0.062 4.482 4.420 -0.000 0.000 0.271 152 P C 0.123 177.543 177.300 0.199 0.000 1.218 152 P CA -0.094 63.135 63.100 0.216 0.000 0.780 152 P CB 1.374 33.247 31.700 0.289 0.000 0.901 153 E N 0.381 120.661 120.200 0.133 0.000 2.216 153 E HA -0.095 4.252 4.350 -0.006 0.000 0.192 153 E C 0.729 177.439 176.600 0.184 0.000 0.988 153 E CA 1.041 57.485 56.400 0.073 0.000 0.834 153 E CB 0.188 29.891 29.700 0.005 0.000 0.772 153 E HN 0.490 8.850 8.360 -0.000 0.000 0.479 154 Q N 0.556 120.514 119.800 0.263 0.000 2.245 154 Q HA 0.285 4.622 4.340 -0.006 0.000 0.256 154 Q C -0.872 175.346 176.000 0.363 0.000 0.942 154 Q CA -0.652 55.342 55.803 0.318 0.000 0.896 154 Q CB 1.209 30.042 28.738 0.159 0.000 1.272 154 Q HN -0.015 8.255 8.270 -0.000 0.000 0.442 155 L N 2.920 124.199 121.223 0.093 0.000 2.485 155 L HA 0.227 4.563 4.340 -0.006 0.000 0.275 155 L C -0.809 175.886 176.870 -0.291 0.000 1.207 155 L CA 1.058 55.573 54.840 -0.541 0.000 0.855 155 L CB 0.262 41.896 42.059 -0.709 0.000 1.114 155 L HN 0.656 8.886 8.230 -0.000 0.000 0.485 156 K N 5.192 125.329 120.400 -0.438 0.000 2.350 156 K HA 0.791 5.107 4.320 -0.006 0.000 0.241 156 K C -1.038 175.350 176.600 -0.352 0.000 0.994 156 K CA -0.890 55.167 56.287 -0.383 0.000 0.839 156 K CB 2.224 34.461 32.500 -0.437 0.000 1.244 156 K HN 0.716 8.966 8.250 -0.000 0.000 0.443 157 M N -1.733 117.703 119.600 -0.273 0.000 2.578 157 M HA 0.555 5.031 4.480 -0.006 0.000 0.276 157 M C -0.928 175.283 176.300 -0.149 0.000 1.245 157 M CA -0.514 54.668 55.300 -0.195 0.000 0.871 157 M CB 2.436 34.940 32.600 -0.161 0.000 1.722 157 M HN 0.491 8.781 8.290 -0.000 0.000 0.473 158 T N 0.276 114.769 114.554 -0.102 0.000 2.739 158 T HA 0.778 5.124 4.350 -0.006 0.000 0.303 158 T C -1.961 172.705 174.700 -0.057 0.000 1.389 158 T CA -0.552 61.500 62.100 -0.080 0.000 1.001 158 T CB 1.940 70.760 68.868 -0.079 0.000 1.436 158 T HN 0.737 8.977 8.240 -0.000 0.000 0.500 159 V N 2.728 122.609 119.914 -0.055 0.000 2.540 159 V HA 0.797 4.914 4.120 -0.006 0.000 0.302 159 V C -0.064 175.992 176.094 -0.062 0.000 1.035 159 V CA -0.525 61.743 62.300 -0.053 0.000 0.873 159 V CB 1.314 33.108 31.823 -0.047 0.000 0.992 159 V HN 0.852 9.042 8.190 -0.000 0.000 0.428 160 V N 2.066 121.938 119.914 -0.070 0.000 3.102 160 V HA 0.726 4.842 4.120 -0.006 0.000 0.312 160 V C -0.756 175.287 176.094 -0.085 0.000 1.135 160 V CA -1.142 61.110 62.300 -0.081 0.000 1.022 160 V CB 2.252 34.039 31.823 -0.060 0.000 1.056 160 V HN 0.753 8.943 8.190 -0.000 0.000 0.436 161 K N 1.651 121.997 120.400 -0.090 0.000 2.164 161 K HA 0.632 4.948 4.320 -0.006 0.000 0.258 161 K C -1.355 175.225 176.600 -0.033 0.000 0.951 161 K CA -0.891 55.358 56.287 -0.064 0.000 0.844 161 K CB 1.889 34.346 32.500 -0.073 0.000 1.099 161 K HN 0.463 8.713 8.250 -0.000 0.000 0.435 162 L N 3.249 124.483 121.223 0.018 0.000 2.453 162 L HA 0.243 4.580 4.340 -0.006 0.000 0.272 162 L C 0.038 176.981 176.870 0.123 0.000 1.182 162 L CA 0.469 55.374 54.840 0.107 0.000 0.858 162 L CB 0.139 42.321 42.059 0.206 0.000 1.120 162 L HN 0.483 8.713 8.230 -0.000 0.000 0.474 163 I N 1.674 122.272 120.570 0.048 0.000 2.493 163 I HA 0.290 4.457 4.170 -0.006 0.000 0.298 163 I C 0.337 176.133 176.117 -0.535 0.000 0.998 163 I CA -0.683 60.546 61.300 -0.119 0.000 1.137 163 I CB 1.985 39.958 38.000 -0.045 0.000 1.310 163 I HN 0.713 8.923 8.210 -0.000 0.000 0.445 164 S N 4.049 119.274 115.700 -0.792 0.000 2.573 164 S HA -0.012 4.454 4.470 -0.006 0.000 0.277 164 S C 1.189 175.347 174.600 -0.737 0.000 1.346 164 S CA -0.108 57.242 58.200 -1.416 0.000 1.034 164 S CB 0.585 63.390 63.200 -0.658 0.000 0.879 164 S HN 0.786 9.096 8.310 -0.000 0.000 0.528 165 H N 2.423 121.088 119.070 -0.675 0.000 2.387 165 H HA -0.121 4.432 4.556 -0.006 0.000 0.299 165 H C 2.337 177.549 175.328 -0.194 0.000 1.090 165 H CA 1.936 57.827 56.048 -0.262 0.000 1.332 165 H CB -0.062 29.643 29.762 -0.095 0.000 1.386 165 H HN 0.831 9.111 8.280 -0.000 0.000 0.516 166 R N 0.913 121.288 120.500 -0.209 0.000 2.080 166 R HA -0.169 4.167 4.340 -0.006 0.000 0.236 166 R C 2.387 178.520 176.300 -0.280 0.000 1.137 166 R CA 2.049 58.028 56.100 -0.202 0.000 0.943 166 R CB -0.314 29.917 30.300 -0.114 0.000 0.846 166 R HN 0.458 8.728 8.270 -0.000 0.000 0.431 167 E N -0.293 119.711 120.200 -0.327 0.000 2.077 167 E HA -0.215 4.132 4.350 -0.006 0.000 0.193 167 E C 1.886 178.087 176.600 -0.665 0.000 0.989 167 E CA 1.331 57.457 56.400 -0.456 0.000 0.800 167 E CB -0.167 29.293 29.700 -0.401 0.000 0.746 167 E HN 0.461 8.821 8.360 -0.000 0.000 0.452 168 c N 0.862 119.204 118.600 -0.429 0.000 2.448 168 c HA 0.004 4.571 4.570 -0.006 0.000 0.280 168 c C 1.739 175.756 174.090 -0.122 0.000 1.398 168 c CA 0.280 56.480 56.329 -0.214 0.000 1.774 168 c CB -0.846 41.643 42.510 -0.035 0.000 1.888 168 c HN 0.400 8.630 8.230 -0.000 0.000 0.519 169 Q N 0.047 119.694 119.800 -0.254 0.000 3.181 169 Q HA 0.077 4.413 4.340 -0.006 0.000 0.293 169 Q C 0.678 176.612 176.000 -0.109 0.000 1.406 169 Q CA -0.173 55.520 55.803 -0.183 0.000 1.026 169 Q CB -0.395 28.139 28.738 -0.341 0.000 1.630 169 Q HN 0.650 8.920 8.270 -0.000 0.000 0.553 170 H N -0.109 119.000 119.070 0.065 0.000 2.829 170 H HA -0.329 4.224 4.556 -0.006 0.000 0.302 170 H C 0.069 175.346 175.328 -0.086 0.000 0.955 170 H CA 1.701 57.747 56.048 -0.004 0.000 1.088 170 H CB -0.374 29.373 29.762 -0.025 0.000 1.330 170 H HN 0.569 8.849 8.280 -0.000 0.000 0.433 171 Y N -1.260 118.974 120.300 -0.110 0.000 2.762 171 Y HA 0.015 4.562 4.550 -0.006 0.000 0.218 171 Y C 1.657 177.338 175.900 -0.364 0.000 0.960 171 Y CA 0.745 58.662 58.100 -0.305 0.000 1.070 171 Y CB -0.330 38.003 38.460 -0.211 0.000 1.045 171 Y HN -0.062 8.218 8.280 -0.000 0.000 0.466 172 Y N -0.409 120.030 120.300 0.231 0.000 2.563 172 Y HA 0.386 4.933 4.550 -0.006 0.000 0.250 172 Y C 1.157 177.131 175.900 0.123 0.000 1.126 172 Y CA -0.268 57.941 58.100 0.183 0.000 1.231 172 Y CB 0.349 38.959 38.460 0.251 0.000 1.288 172 Y HN 0.480 8.760 8.280 -0.000 0.000 0.537 173 G N 0.598 109.512 108.800 0.191 0.000 2.582 173 G HA2 -0.353 3.604 3.960 -0.006 0.000 0.288 173 G HA3 -0.353 3.604 3.960 -0.006 0.000 0.288 173 G C 1.277 176.233 174.900 0.094 0.000 1.247 173 G CA 0.516 45.672 45.100 0.094 0.000 0.972 173 G HN 0.204 8.494 8.290 -0.000 0.000 0.557 174 S N 0.874 116.618 115.700 0.075 0.000 2.603 174 S HA 0.042 4.509 4.470 -0.006 0.000 0.229 174 S C 1.892 176.565 174.600 0.123 0.000 0.972 174 S CA 1.581 59.830 58.200 0.081 0.000 0.935 174 S CB -0.167 63.068 63.200 0.058 0.000 0.769 174 S HN 0.559 8.869 8.310 -0.000 0.000 0.536 175 E N 1.011 121.301 120.200 0.151 0.000 2.204 175 E HA -0.063 4.283 4.350 -0.006 0.000 0.194 175 E C 0.671 177.410 176.600 0.230 0.000 0.989 175 E CA 0.593 57.082 56.400 0.147 0.000 0.824 175 E CB -0.055 29.710 29.700 0.108 0.000 0.756 175 E HN 0.461 8.821 8.360 -0.000 0.000 0.477 176 V N 0.650 120.740 119.914 0.293 0.000 2.498 176 V HA 0.309 4.426 4.120 -0.006 0.000 0.279 176 V C 0.248 176.545 176.094 0.338 0.000 1.048 176 V CA -0.685 61.808 62.300 0.322 0.000 0.967 176 V CB 1.122 33.098 31.823 0.256 0.000 0.988 176 V HN 0.053 8.243 8.190 -0.000 0.000 0.473 177 T N 0.494 115.247 114.554 0.331 0.000 2.922 177 T HA 0.415 4.761 4.350 -0.006 0.000 0.281 177 T C 1.202 175.991 174.700 0.148 0.000 1.005 177 T CA 0.157 62.439 62.100 0.303 0.000 0.982 177 T CB 1.269 70.269 68.868 0.218 0.000 1.158 177 T HN 1.025 9.265 8.240 -0.000 0.000 0.566 178 T N -2.082 112.422 114.554 -0.082 0.000 3.072 178 T HA 0.092 4.439 4.350 -0.006 0.000 0.266 178 T C 1.253 175.851 174.700 -0.170 0.000 1.127 178 T CA 0.426 62.370 62.100 -0.260 0.000 1.107 178 T CB -0.410 68.337 68.868 -0.203 0.000 0.910 178 T HN 0.644 8.884 8.240 -0.000 0.000 0.513 179 K N 0.343 120.727 120.400 -0.027 0.000 2.458 179 K HA 0.326 4.642 4.320 -0.006 0.000 0.194 179 K C 0.212 176.857 176.600 0.075 0.000 1.024 179 K CA 0.182 56.460 56.287 -0.014 0.000 1.108 179 K CB -0.010 32.561 32.500 0.118 0.000 0.846 179 K HN 0.474 8.724 8.250 -0.000 0.000 0.518 180 M N 0.640 120.277 119.600 0.062 0.000 2.644 180 M HA 0.435 4.911 4.480 -0.006 0.000 0.304 180 M C -0.953 175.409 176.300 0.103 0.000 1.215 180 M CA -0.826 54.541 55.300 0.112 0.000 0.871 180 M CB 2.251 34.940 32.600 0.149 0.000 1.740 180 M HN -0.158 8.132 8.290 -0.000 0.000 0.464 181 L N 0.735 122.035 121.223 0.127 0.000 2.386 181 L HA 0.584 4.921 4.340 -0.006 0.000 0.271 181 L C -1.384 175.598 176.870 0.187 0.000 0.993 181 L CA -0.707 54.233 54.840 0.166 0.000 0.819 181 L CB 2.272 44.431 42.059 0.167 0.000 1.294 181 L HN 0.772 9.002 8.230 -0.000 0.000 0.414 182 c N 2.699 121.389 118.600 0.149 0.000 2.376 182 c HA 0.941 5.508 4.570 -0.006 0.000 0.335 182 c C 0.314 174.499 174.090 0.159 0.000 1.229 182 c CA -0.482 55.941 56.329 0.157 0.000 1.867 182 c CB 0.857 43.441 42.510 0.124 0.000 2.319 182 c HN 0.869 9.099 8.230 -0.000 0.000 0.515 183 A N 1.744 124.692 122.820 0.214 0.000 2.547 183 A HA 0.989 5.305 4.320 -0.006 0.000 0.297 183 A C -0.537 177.120 177.584 0.122 0.000 1.056 183 A CA 0.354 52.454 52.037 0.106 0.000 0.688 183 A CB 1.286 20.254 19.000 -0.055 0.000 1.282 183 A HN 1.738 9.888 8.150 -0.000 0.000 0.400 184 A N 0.110 122.922 122.820 -0.013 0.000 5.650 184 A HA 0.602 4.918 4.320 -0.006 0.000 0.194 184 A C 0.350 177.787 177.584 -0.244 0.000 0.895 184 A CA 0.463 52.443 52.037 -0.096 0.000 0.804 184 A CB -0.738 18.173 19.000 -0.148 0.000 2.103 184 A HN 1.122 9.272 8.150 -0.000 0.000 1.022 185 Q N -1.421 118.163 119.800 -0.361 0.000 2.045 185 Q HA -0.343 3.994 4.340 -0.006 0.000 0.199 185 Q C -0.590 175.417 176.000 0.012 0.000 0.862 185 Q CA 2.078 57.803 55.803 -0.131 0.000 1.297 185 Q CB -1.125 27.585 28.738 -0.046 0.000 2.032 185 Q HN 0.746 9.016 8.270 -0.000 0.000 0.582 186 W N -2.213 119.076 121.300 -0.018 0.000 5.121 186 W HA -0.297 4.359 4.660 -0.006 0.000 0.372 186 W C 1.002 177.507 176.519 -0.022 0.000 1.394 186 W CA 0.643 57.973 57.345 -0.026 0.000 0.885 186 W CB -1.361 28.072 29.460 -0.045 0.000 2.520 186 W HN 0.092 8.272 8.180 -0.000 0.000 1.455 187 K N -1.157 119.298 120.400 0.091 0.000 2.287 187 K HA 0.160 4.477 4.320 -0.006 0.000 0.199 187 K C 1.114 177.735 176.600 0.034 0.000 1.061 187 K CA 1.139 57.461 56.287 0.059 0.000 0.976 187 K CB 0.433 32.947 32.500 0.022 0.000 0.898 187 K HN 0.109 8.359 8.250 -0.000 0.000 0.492 188 T N 0.461 115.022 114.554 0.011 0.000 2.908 188 T HA 0.467 4.814 4.350 -0.006 0.000 0.290 188 T C -1.745 172.966 174.700 0.019 0.000 1.034 188 T CA -0.491 61.608 62.100 -0.002 0.000 1.010 188 T CB 1.510 70.358 68.868 -0.033 0.000 1.068 188 T HN 0.073 8.313 8.240 -0.000 0.000 0.481 189 D N 0.341 120.755 120.400 0.024 0.000 2.807 189 D HA 0.316 4.952 4.640 -0.006 0.000 0.279 189 D C -0.708 175.619 176.300 0.045 0.000 1.247 189 D CA -0.253 53.781 54.000 0.056 0.000 0.749 189 D CB 1.192 42.047 40.800 0.091 0.000 1.264 189 D HN 0.622 8.992 8.370 -0.000 0.000 0.421 190 S N -0.283 115.460 115.700 0.072 0.000 2.645 190 S HA 0.741 5.208 4.470 -0.006 0.000 0.266 190 S C 0.185 174.803 174.600 0.029 0.000 1.258 190 S CA -0.440 57.789 58.200 0.049 0.000 0.990 190 S CB 1.423 64.670 63.200 0.079 0.000 0.967 190 S HN 0.749 9.059 8.310 -0.000 0.000 0.556 191 c N -0.378 118.235 118.600 0.021 0.000 3.258 191 c HA 0.440 5.007 4.570 -0.006 0.000 0.376 191 c C -1.101 173.016 174.090 0.044 0.000 1.869 191 c CA -0.588 55.763 56.329 0.036 0.000 1.189 191 c CB 0.630 43.168 42.510 0.048 0.000 2.230 191 c HN 1.014 9.244 8.230 -0.000 0.000 0.432 192 Q N 0.494 120.343 119.800 0.083 0.000 2.315 192 Q HA 0.375 4.711 4.340 -0.006 0.000 0.289 192 Q C 1.044 177.097 176.000 0.087 0.000 1.044 192 Q CA 1.519 57.395 55.803 0.122 0.000 0.920 192 Q CB 0.382 29.233 28.738 0.188 0.000 1.214 192 Q HN 1.344 9.614 8.270 -0.000 0.000 0.392 193 G N 2.711 111.542 108.800 0.052 0.000 2.258 193 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.233 193 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.233 193 G C 0.451 175.340 174.900 -0.018 0.000 1.006 193 G CA 0.165 45.173 45.100 -0.153 0.000 0.620 193 G HN 0.689 8.979 8.290 -0.000 0.000 0.511 194 D N 1.326 121.731 120.400 0.008 0.000 2.347 194 D HA 0.181 4.817 4.640 -0.006 0.000 0.213 194 D C 1.335 177.688 176.300 0.089 0.000 0.985 194 D CA 0.770 54.809 54.000 0.064 0.000 0.879 194 D CB 0.063 40.884 40.800 0.035 0.000 0.919 194 D HN 0.391 8.761 8.370 -0.000 0.000 0.526 195 S N -0.436 115.293 115.700 0.048 0.000 2.573 195 S HA 0.256 4.723 4.470 -0.006 0.000 0.297 195 S C 1.613 176.183 174.600 -0.050 0.000 1.280 195 S CA 0.783 58.985 58.200 0.004 0.000 1.061 195 S CB 0.933 64.122 63.200 -0.019 0.000 0.812 195 S HN 0.479 8.789 8.310 -0.000 0.000 0.500 196 G N 2.170 110.944 108.800 -0.044 0.000 2.284 196 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.247 196 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.247 196 G C 0.487 175.429 174.900 0.070 0.000 1.012 196 G CA 0.039 45.118 45.100 -0.035 0.000 0.618 196 G HN 1.155 9.445 8.290 -0.000 0.000 0.521 197 G N 1.111 110.006 108.800 0.159 0.000 2.684 197 G HA2 0.533 4.490 3.960 -0.006 0.000 0.255 197 G HA3 0.533 4.490 3.960 -0.006 0.000 0.255 197 G C -1.862 173.194 174.900 0.261 0.000 1.219 197 G CA 0.019 45.297 45.100 0.297 0.000 0.901 197 G HN 0.437 8.727 8.290 -0.000 0.000 0.548 198 P HA 0.307 4.727 4.420 -0.000 0.000 0.290 198 P C -1.068 176.329 177.300 0.160 0.000 1.275 198 P CA -0.637 62.599 63.100 0.226 0.000 0.841 198 P CB 2.018 33.885 31.700 0.279 0.000 1.042 199 L N 4.059 125.313 121.223 0.052 0.000 2.324 199 L HA 0.348 4.685 4.340 -0.006 0.000 0.274 199 L C -1.108 175.707 176.870 -0.092 0.000 1.012 199 L CA -0.620 54.157 54.840 -0.106 0.000 0.859 199 L CB 0.872 42.711 42.059 -0.366 0.000 1.224 199 L HN 0.018 8.248 8.230 -0.000 0.000 0.429 200 V N 4.320 124.197 119.914 -0.062 0.000 2.394 200 V HA 0.468 4.584 4.120 -0.006 0.000 0.282 200 V C -0.175 175.864 176.094 -0.092 0.000 1.031 200 V CA -0.368 61.872 62.300 -0.100 0.000 0.881 200 V CB 1.203 32.971 31.823 -0.091 0.000 0.982 200 V HN 0.867 9.057 8.190 -0.000 0.000 0.451 201 c N 2.911 121.447 118.600 -0.108 0.000 2.507 201 c HA 0.504 5.071 4.570 -0.006 0.000 0.319 201 c C 0.768 174.809 174.090 -0.081 0.000 1.208 201 c CA -0.722 55.556 56.329 -0.085 0.000 1.619 201 c CB 1.530 43.989 42.510 -0.084 0.000 2.230 201 c HN 0.820 9.050 8.230 -0.000 0.000 0.492 202 S N 2.703 118.368 115.700 -0.059 0.000 2.494 202 S HA 0.357 4.824 4.470 -0.006 0.000 0.312 202 S C -0.486 174.084 174.600 -0.050 0.000 1.121 202 S CA -0.207 57.963 58.200 -0.050 0.000 1.068 202 S CB -0.497 62.686 63.200 -0.030 0.000 1.141 202 S HN 0.624 8.934 8.310 -0.000 0.000 0.527 203 L N 5.367 126.556 121.223 -0.056 0.000 2.262 203 L HA 0.358 4.694 4.340 -0.006 0.000 0.288 203 L C 0.197 177.042 176.870 -0.041 0.000 1.035 203 L CA -0.301 54.508 54.840 -0.051 0.000 0.820 203 L CB 0.650 42.675 42.059 -0.056 0.000 1.204 203 L HN 0.810 9.040 8.230 -0.000 0.000 0.424 204 Q N 3.098 122.877 119.800 -0.035 0.000 2.452 204 Q HA -0.212 4.124 4.340 -0.006 0.000 0.318 204 Q C 0.846 176.832 176.000 -0.023 0.000 1.386 204 Q CA 0.732 56.519 55.803 -0.027 0.000 0.872 204 Q CB -1.429 27.294 28.738 -0.026 0.000 1.151 204 Q HN 1.121 9.391 8.270 -0.000 0.000 0.417 205 G N 0.243 109.030 108.800 -0.021 0.000 2.273 205 G HA2 -0.354 3.603 3.960 -0.006 0.000 0.280 205 G HA3 -0.354 3.603 3.960 -0.006 0.000 0.280 205 G C -0.152 174.738 174.900 -0.017 0.000 1.047 205 G CA 0.676 45.767 45.100 -0.015 0.000 0.869 205 G HN 0.493 8.783 8.290 -0.000 0.000 0.502 206 R N -0.662 119.820 120.500 -0.029 0.000 2.522 206 R HA 0.437 4.773 4.340 -0.006 0.000 0.273 206 R C 0.173 176.432 176.300 -0.068 0.000 1.133 206 R CA -1.192 54.885 56.100 -0.039 0.000 0.969 206 R CB 0.460 30.737 30.300 -0.039 0.000 1.235 206 R HN 0.088 8.358 8.270 -0.000 0.000 0.433 207 M N 3.306 122.851 119.600 -0.091 0.000 2.268 207 M HA 0.160 4.637 4.480 -0.006 0.000 0.349 207 M C -0.441 175.722 176.300 -0.228 0.000 1.485 207 M CA 0.663 55.858 55.300 -0.175 0.000 1.094 207 M CB 0.440 32.890 32.600 -0.251 0.000 1.843 207 M HN 0.545 8.835 8.290 -0.000 0.000 0.460 208 T N 3.814 118.243 114.554 -0.210 0.000 2.876 208 T HA 0.425 4.771 4.350 -0.006 0.000 0.289 208 T C -0.101 174.478 174.700 -0.202 0.000 1.014 208 T CA -0.743 61.246 62.100 -0.184 0.000 0.986 208 T CB 2.177 70.979 68.868 -0.110 0.000 1.021 208 T HN 0.561 8.801 8.240 -0.000 0.000 0.458 209 L N 3.728 124.842 121.223 -0.180 0.000 2.404 209 L HA 0.202 4.539 4.340 -0.006 0.000 0.277 209 L C 0.947 177.780 176.870 -0.061 0.000 1.184 209 L CA 0.339 55.097 54.840 -0.136 0.000 1.013 209 L CB -0.197 41.798 42.059 -0.106 0.000 1.318 209 L HN 0.807 9.037 8.230 -0.000 0.000 0.435 210 T N 2.380 116.896 114.554 -0.065 0.000 2.896 210 T HA 0.114 4.460 4.350 -0.006 0.000 0.263 210 T C 0.783 175.486 174.700 0.006 0.000 1.050 210 T CA 0.874 62.954 62.100 -0.033 0.000 1.140 210 T CB 0.288 69.118 68.868 -0.063 0.000 0.877 210 T HN 0.714 8.954 8.240 -0.000 0.000 0.457 211 G N -0.197 108.602 108.800 -0.001 0.000 2.695 211 G HA2 0.674 4.630 3.960 -0.006 0.000 0.290 211 G HA3 0.674 4.630 3.960 -0.006 0.000 0.290 211 G C -1.845 173.140 174.900 0.142 0.000 1.410 211 G CA -0.827 44.320 45.100 0.078 0.000 0.844 211 G HN 0.251 8.541 8.290 -0.000 0.000 0.478 212 I N 0.712 121.411 120.570 0.215 0.000 2.466 212 I HA 0.258 4.425 4.170 -0.006 0.000 0.289 212 I C 0.004 176.260 176.117 0.231 0.000 1.026 212 I CA -1.070 60.345 61.300 0.191 0.000 1.078 212 I CB 2.299 40.344 38.000 0.075 0.000 1.249 212 I HN 0.137 8.347 8.210 -0.000 0.000 0.429 213 V N 5.252 125.299 119.914 0.221 0.000 2.475 213 V HA -0.052 4.065 4.120 -0.006 0.000 0.292 213 V C 0.865 176.912 176.094 -0.078 0.000 1.003 213 V CA 0.791 63.072 62.300 -0.031 0.000 1.120 213 V CB 0.595 32.452 31.823 0.056 0.000 0.937 213 V HN 0.980 9.170 8.190 -0.000 0.000 0.476 214 S N 5.240 120.811 115.700 -0.216 0.000 3.200 214 S HA 0.347 4.814 4.470 -0.006 0.000 0.209 214 S C 0.089 174.658 174.600 -0.052 0.000 0.869 214 S CA -0.042 58.147 58.200 -0.018 0.000 0.820 214 S CB 0.507 63.758 63.200 0.084 0.000 0.834 214 S HN 0.865 9.175 8.310 -0.000 0.000 0.622 215 W N 0.161 121.253 121.300 -0.347 0.000 3.003 215 W HA 0.685 5.341 4.660 -0.006 0.000 0.362 215 W C -0.510 175.855 176.519 -0.258 0.000 1.213 215 W CA -0.584 56.553 57.345 -0.348 0.000 1.157 215 W CB 0.428 29.674 29.460 -0.356 0.000 1.493 215 W HN 0.664 8.844 8.180 -0.000 0.000 0.589 216 G N 1.184 110.079 108.800 0.157 0.000 2.384 216 G HA2 0.370 4.326 3.960 -0.006 0.000 0.300 216 G HA3 0.370 4.326 3.960 -0.006 0.000 0.300 216 G C -1.966 173.076 174.900 0.236 0.000 1.582 216 G CA -1.153 43.994 45.100 0.079 0.000 0.875 216 G HN 0.660 8.950 8.290 -0.000 0.000 0.628 220 c N -0.120 118.517 118.600 0.063 0.000 2.516 220 c HA 0.729 5.296 4.570 -0.006 0.000 0.338 220 c C 0.953 175.085 174.090 0.070 0.000 1.132 220 c CA 0.620 56.989 56.329 0.067 0.000 1.310 220 c CB 0.206 42.752 42.510 0.060 0.000 1.898 220 c HN 2.509 10.739 8.230 -0.000 0.000 0.452 221 A N 3.025 125.905 122.820 0.100 0.000 2.860 221 A HA -0.174 4.143 4.320 -0.006 0.000 0.267 221 A C 0.496 178.147 177.584 0.112 0.000 1.421 221 A CA 1.380 53.499 52.037 0.137 0.000 0.831 221 A CB -1.983 17.078 19.000 0.101 0.000 1.041 221 A HN 0.832 8.982 8.150 -0.000 0.000 0.623 222 L N -1.290 119.958 121.223 0.042 0.000 2.564 222 L HA 0.155 4.491 4.340 -0.006 0.000 0.158 222 L C 1.665 178.345 176.870 -0.315 0.000 1.506 222 L CA 0.294 55.078 54.840 -0.093 0.000 3.117 222 L CB -0.495 41.504 42.059 -0.099 0.000 2.996 222 L HN 0.432 8.662 8.230 -0.000 0.000 0.992 223 D N 0.482 119.494 120.400 -2.314 0.000 3.198 223 D HA -0.192 4.444 4.640 -0.006 0.000 0.194 223 D C -0.074 175.457 176.300 -1.282 0.000 1.219 223 D CA 1.306 54.266 54.000 -1.734 0.000 0.742 223 D CB -0.552 39.549 40.800 -1.165 0.000 0.962 223 D HN 0.205 8.575 8.370 -0.000 0.000 0.387 224 K N 0.090 119.982 120.400 -0.846 0.000 2.679 224 K HA 0.327 4.644 4.320 -0.006 0.000 0.188 224 K C -2.526 174.076 176.600 0.002 0.000 1.055 224 K CA -1.629 54.376 56.287 -0.470 0.000 1.006 224 K CB 1.652 34.013 32.500 -0.232 0.000 1.317 224 K HN 0.027 8.277 8.250 -0.000 0.000 0.584 225 P HA 0.025 4.445 4.420 -0.000 0.000 0.271 225 P C 0.478 177.922 177.300 0.239 0.000 1.233 225 P CA -0.168 63.132 63.100 0.333 0.000 0.789 225 P CB 0.664 32.571 31.700 0.344 0.000 0.951 226 G N 0.058 108.952 108.800 0.156 0.000 2.432 226 G HA2 0.434 4.390 3.960 -0.006 0.000 0.257 226 G HA3 0.434 4.390 3.960 -0.006 0.000 0.257 226 G C -0.861 173.884 174.900 -0.257 0.000 1.238 226 G CA -0.263 44.788 45.100 -0.081 0.000 0.838 226 G HN 0.331 8.621 8.290 -0.000 0.000 0.547 227 V N 2.194 121.659 119.914 -0.748 0.000 2.459 227 V HA 0.447 4.564 4.120 -0.006 0.000 0.295 227 V C -0.988 174.609 176.094 -0.829 0.000 1.029 227 V CA -0.658 61.146 62.300 -0.828 0.000 0.874 227 V CB 0.955 31.727 31.823 -1.752 0.000 0.985 227 V HN 0.627 8.817 8.190 -0.000 0.000 0.438 228 Y N 0.833 121.010 120.300 -0.205 0.000 2.485 228 Y HA 0.488 5.034 4.550 -0.006 0.000 0.345 228 Y C 0.817 176.706 175.900 -0.018 0.000 0.998 228 Y CA -0.990 57.062 58.100 -0.080 0.000 1.059 228 Y CB 1.660 40.100 38.460 -0.033 0.000 1.234 228 Y HN 0.516 8.796 8.280 -0.000 0.000 0.461 229 T N 3.057 117.695 114.554 0.141 0.000 2.799 229 T HA 0.106 4.453 4.350 -0.006 0.000 0.296 229 T C 0.304 175.104 174.700 0.168 0.000 0.947 229 T CA -0.389 61.780 62.100 0.114 0.000 1.141 229 T CB -0.051 68.792 68.868 -0.042 0.000 0.891 229 T HN 0.409 8.649 8.240 -0.000 0.000 0.533 230 R N 3.885 124.518 120.500 0.222 0.000 2.351 230 R HA 0.162 4.499 4.340 -0.006 0.000 0.321 230 R C 1.094 177.593 176.300 0.333 0.000 1.182 230 R CA -0.264 55.939 56.100 0.172 0.000 1.011 230 R CB -0.226 30.037 30.300 -0.060 0.000 1.048 230 R HN 0.531 8.801 8.270 -0.000 0.000 0.490 231 V N 2.645 122.705 119.914 0.243 0.000 2.392 231 V HA -0.305 3.812 4.120 -0.006 0.000 0.249 231 V C 2.224 178.488 176.094 0.283 0.000 1.059 231 V CA 2.287 64.743 62.300 0.260 0.000 1.051 231 V CB -0.453 31.450 31.823 0.134 0.000 0.658 231 V HN 0.896 9.086 8.190 -0.000 0.000 0.455 232 S N -0.363 115.477 115.700 0.234 0.000 2.442 232 S HA -0.239 4.228 4.470 -0.006 0.000 0.236 232 S C 1.678 176.397 174.600 0.198 0.000 1.007 232 S CA 1.518 59.834 58.200 0.194 0.000 0.965 232 S CB -0.587 62.739 63.200 0.211 0.000 0.773 232 S HN 0.713 9.023 8.310 -0.000 0.000 0.504 233 H N -0.443 118.669 119.070 0.069 0.000 2.539 233 H HA 0.386 4.938 4.556 -0.006 0.000 0.267 233 H C 0.124 175.256 175.328 -0.326 0.000 0.982 233 H CA -0.268 55.721 56.048 -0.099 0.000 1.146 233 H CB -0.183 29.509 29.762 -0.118 0.000 1.382 233 H HN 0.555 8.835 8.280 -0.000 0.000 0.577 234 F N -0.775 119.271 119.950 0.160 0.000 2.683 234 F HA 0.199 4.723 4.527 -0.005 0.000 0.306 234 F C 1.371 177.293 175.800 0.202 0.000 1.102 234 F CA -0.061 58.044 58.000 0.176 0.000 1.244 234 F CB 0.255 39.336 39.000 0.135 0.000 1.029 234 F HN 0.021 8.321 8.300 -0.000 0.000 0.545 235 L N 0.711 122.053 121.223 0.199 0.000 2.042 235 L HA -0.146 4.190 4.340 -0.006 0.000 0.210 235 L C -0.384 176.549 176.870 0.106 0.000 1.076 235 L CA 1.574 56.482 54.840 0.114 0.000 0.749 235 L CB -1.699 40.356 42.059 -0.007 0.000 0.893 235 L HN 0.072 8.302 8.230 -0.000 0.000 0.432 236 P HA -0.209 4.211 4.420 -0.000 0.000 0.217 236 P C 1.195 178.587 177.300 0.154 0.000 1.150 236 P CA 1.291 64.434 63.100 0.072 0.000 0.832 236 P CB -0.066 31.664 31.700 0.051 0.000 0.787 237 W N 0.122 121.489 121.300 0.112 0.000 2.409 237 W HA -0.076 4.580 4.660 -0.006 0.000 0.299 237 W C 1.930 178.560 176.519 0.185 0.000 1.203 237 W CA 1.145 58.617 57.345 0.212 0.000 1.298 237 W CB -0.651 29.027 29.460 0.365 0.000 1.127 237 W HN -0.217 7.963 8.180 -0.000 0.000 0.528 238 I N 0.551 121.316 120.570 0.325 0.000 2.142 238 I HA -0.336 3.831 4.170 -0.006 0.000 0.240 238 I C 2.613 178.602 176.117 -0.212 0.000 1.078 238 I CA 1.638 62.955 61.300 0.029 0.000 1.343 238 I CB -0.706 37.372 38.000 0.131 0.000 1.046 238 I HN -0.068 8.142 8.210 -0.000 0.000 0.405 239 R N 0.768 121.191 120.500 -0.128 0.000 2.080 239 R HA -0.178 4.158 4.340 -0.006 0.000 0.236 239 R C 2.590 178.737 176.300 -0.254 0.000 1.137 239 R CA 2.071 58.062 56.100 -0.180 0.000 0.943 239 R CB -0.596 29.639 30.300 -0.108 0.000 0.846 239 R HN 0.486 8.756 8.270 -0.000 0.000 0.431 240 S N 0.185 115.726 115.700 -0.265 0.000 2.419 240 S HA -0.161 4.306 4.470 -0.006 0.000 0.235 240 S C 1.486 175.746 174.600 -0.566 0.000 1.019 240 S CA 1.059 59.031 58.200 -0.379 0.000 0.982 240 S CB -0.331 62.632 63.200 -0.395 0.000 0.789 240 S HN 0.420 8.730 8.310 -0.000 0.000 0.490 241 H N 1.066 119.807 119.070 -0.548 0.000 2.551 241 H HA 0.219 4.771 4.556 -0.006 0.000 0.271 241 H C 1.301 176.198 175.328 -0.719 0.000 0.984 241 H CA 1.210 56.886 56.048 -0.620 0.000 1.164 241 H CB 0.285 29.495 29.762 -0.920 0.000 1.437 241 H HN 0.752 9.032 8.280 -0.000 0.000 0.550 242 T N -3.099 111.062 114.554 -0.655 0.000 3.044 242 T HA 0.198 4.544 4.350 -0.006 0.000 0.260 242 T C 1.511 176.020 174.700 -0.318 0.000 1.019 242 T CA -0.375 61.161 62.100 -0.939 0.000 0.921 242 T CB 0.795 68.965 68.868 -1.163 0.000 1.053 242 T HN 0.088 8.328 8.240 -0.000 0.000 0.533 243 K N 1.049 121.330 120.400 -0.198 0.000 2.019 243 K HA 0.307 4.624 4.320 -0.006 0.000 0.209 243 K C 0.889 177.497 176.600 0.013 0.000 1.032 243 K CA 0.689 56.929 56.287 -0.077 0.000 0.947 243 K CB 0.212 32.649 32.500 -0.106 0.000 0.757 243 K HN 0.447 8.697 8.250 -0.000 0.000 0.444 244 E N 0.000 120.198 120.200 -0.003 0.000 2.725 244 E HA 0.000 4.347 4.350 -0.006 0.000 0.291 244 E CA 0.000 56.419 56.400 0.031 0.000 0.976 244 E CB 0.000 29.708 29.700 0.014 0.000 0.812 244 E HN 0.000 8.360 8.360 -0.000 0.000 0.440