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 3a56_1_B DATA FIRST_RESID 19 DATA SEQUENCE SKLKDFGKTV PVGIDEENGM IKVSFMLTAQ FYEIKPTKEN EQYIGMLRQA DATA SEQUENCE VKNESPVHIF LKPNSNEIGK VESASPEDVR YFKTILTKEV KGQTNKLASV DATA SEQUENCE IPDVATLNSL FNQIKNQScG TSTASSPcIT FRYPVDGCYA RAHKMRQILM DATA SEQUENCE NNGYDCEKQF VYGNLKASTG TccVAWSYHV AILVSYKNAS GVTEKRIIDP DATA SEQUENCE SLFSSGPVTD TAWRNACVNT ScGSASVSSY ANTAGNVYYR SPSNSYLYDN DATA SEQUENCE NLINTNcVLT KFSLLSGcSP SPAPDVSScG F 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 19 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 19 S C 0.000 174.583 174.600 -0.028 0.000 1.055 19 S CA 0.000 58.162 58.200 -0.064 0.000 1.107 19 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 20 K N 1.231 121.626 120.400 -0.008 0.000 2.505 20 K HA 0.312 4.632 4.320 0.001 0.000 0.192 20 K C -0.317 176.305 176.600 0.038 0.000 1.025 20 K CA 0.154 56.452 56.287 0.018 0.000 1.086 20 K CB -0.452 32.062 32.500 0.022 0.000 0.840 20 K HN 0.283 8.533 8.250 -0.000 0.000 0.514 21 L N 1.943 123.182 121.223 0.027 0.000 2.380 21 L HA 0.111 4.451 4.340 0.001 0.000 0.273 21 L C 0.614 177.582 176.870 0.164 0.000 1.138 21 L CA -0.334 54.556 54.840 0.084 0.000 0.832 21 L CB 0.337 42.419 42.059 0.038 0.000 1.124 21 L HN -0.025 8.205 8.230 -0.000 0.000 0.454 22 K N 2.996 123.512 120.400 0.192 0.000 2.234 22 K HA 0.061 4.381 4.320 0.001 0.000 0.282 22 K C -0.748 176.014 176.600 0.270 0.000 1.039 22 K CA -0.434 55.974 56.287 0.202 0.000 0.928 22 K CB 1.024 33.623 32.500 0.164 0.000 1.039 22 K HN 0.450 8.700 8.250 -0.000 0.000 0.470 23 D N 4.626 125.173 120.400 0.246 0.000 2.344 23 D HA -0.030 4.611 4.640 0.001 0.000 0.253 23 D C 0.518 176.833 176.300 0.025 0.000 1.255 23 D CA -0.172 53.905 54.000 0.129 0.000 0.894 23 D CB 0.037 40.955 40.800 0.197 0.000 1.067 23 D HN 0.476 8.846 8.370 -0.000 0.000 0.492 24 F N 3.481 123.298 119.950 -0.221 0.000 2.615 24 F HA 0.209 4.737 4.527 0.001 0.000 0.297 24 F C 1.246 176.893 175.800 -0.255 0.000 1.124 24 F CA 1.244 59.115 58.000 -0.216 0.000 1.451 24 F CB 0.135 38.953 39.000 -0.304 0.000 1.103 24 F HN 0.563 8.863 8.300 -0.000 0.000 0.569 25 G N 1.225 109.854 108.800 -0.285 0.000 2.627 25 G HA2 -0.195 3.765 3.960 0.001 0.000 0.214 25 G HA3 -0.195 3.765 3.960 0.001 0.000 0.214 25 G C -0.971 173.640 174.900 -0.482 0.000 1.331 25 G CA -0.650 44.178 45.100 -0.452 0.000 0.891 25 G HN 0.314 8.604 8.290 -0.000 0.000 0.539 26 K N -0.218 119.950 120.400 -0.386 0.000 2.118 26 K HA 0.823 5.144 4.320 0.001 0.000 0.267 26 K C 0.458 177.026 176.600 -0.054 0.000 0.991 26 K CA 0.270 56.428 56.287 -0.215 0.000 0.916 26 K CB 1.774 34.264 32.500 -0.017 0.000 1.041 26 K HN 0.889 9.139 8.250 -0.000 0.000 0.455 27 T N -0.366 114.052 114.554 -0.228 0.000 2.718 27 T HA 0.415 4.765 4.350 0.001 0.000 0.306 27 T C -1.761 172.731 174.700 -0.347 0.000 1.485 27 T CA -0.728 61.246 62.100 -0.210 0.000 0.997 27 T CB 0.947 69.752 68.868 -0.105 0.000 1.504 27 T HN 0.129 8.369 8.240 -0.000 0.000 0.497 28 V N 4.650 124.458 119.914 -0.176 0.000 2.357 28 V HA 0.521 4.642 4.120 0.001 0.000 0.284 28 V C -2.115 174.073 176.094 0.157 0.000 1.018 28 V CA -1.689 60.554 62.300 -0.095 0.000 0.841 28 V CB 1.512 33.267 31.823 -0.113 0.000 0.991 28 V HN 0.691 8.881 8.190 -0.000 0.000 0.437 29 P HA 0.165 4.585 4.420 -0.000 0.000 0.275 29 P C 0.304 177.632 177.300 0.047 0.000 1.228 29 P CA 0.101 63.310 63.100 0.182 0.000 0.786 29 P CB 1.823 33.571 31.700 0.080 0.000 0.927 30 V N -1.133 118.786 119.914 0.008 0.000 3.398 30 V HA 0.611 4.731 4.120 0.001 0.000 0.298 30 V C 0.375 176.474 176.094 0.009 0.000 1.496 30 V CA 0.347 62.658 62.300 0.018 0.000 1.044 30 V CB 0.239 32.103 31.823 0.068 0.000 0.880 30 V HN 0.694 8.884 8.190 -0.000 0.000 0.443 31 G N 0.075 108.869 108.800 -0.010 0.000 2.732 31 G HA2 0.693 4.653 3.960 0.001 0.000 0.296 31 G HA3 0.693 4.653 3.960 0.001 0.000 0.296 31 G C -1.964 172.938 174.900 0.004 0.000 1.448 31 G CA -0.460 44.656 45.100 0.027 0.000 0.911 31 G HN 0.423 8.713 8.290 -0.000 0.000 0.528 32 I N 1.384 121.964 120.570 0.017 0.000 2.571 32 I HA 0.455 4.626 4.170 0.001 0.000 0.286 32 I C -2.061 174.060 176.117 0.007 0.000 1.134 32 I CA -0.713 60.588 61.300 0.002 0.000 1.052 32 I CB 2.203 40.195 38.000 -0.014 0.000 1.237 32 I HN 0.449 8.659 8.210 -0.000 0.000 0.435 33 D N 7.636 128.032 120.400 -0.007 0.000 2.481 33 D HA 0.222 4.862 4.640 0.001 0.000 0.246 33 D C -0.737 175.537 176.300 -0.043 0.000 1.109 33 D CA -0.279 53.704 54.000 -0.029 0.000 0.845 33 D CB 1.305 42.069 40.800 -0.059 0.000 1.160 33 D HN 0.434 8.804 8.370 -0.000 0.000 0.534 34 E N 3.497 123.680 120.200 -0.029 0.000 2.257 34 E HA 0.285 4.635 4.350 0.001 0.000 0.278 34 E C -0.270 176.308 176.600 -0.037 0.000 1.049 34 E CA -0.274 56.110 56.400 -0.027 0.000 0.876 34 E CB 1.282 30.973 29.700 -0.015 0.000 1.035 34 E HN 0.418 8.778 8.360 -0.000 0.000 0.419 35 E N 1.976 122.151 120.200 -0.042 0.000 2.393 35 E HA 0.213 4.563 4.350 0.001 0.000 0.265 35 E C -0.439 176.140 176.600 -0.034 0.000 0.941 35 E CA -1.233 55.138 56.400 -0.047 0.000 0.801 35 E CB 0.960 30.617 29.700 -0.072 0.000 1.313 35 E HN 0.404 8.764 8.360 -0.000 0.000 0.435 36 N N 0.439 119.119 118.700 -0.034 0.000 2.400 36 N HA 0.100 4.840 4.740 0.001 0.000 0.278 36 N C 0.677 176.173 175.510 -0.023 0.000 1.247 36 N CA 1.333 54.367 53.050 -0.025 0.000 0.970 36 N CB -0.412 38.060 38.487 -0.025 0.000 1.312 36 N HN 0.729 9.109 8.380 -0.000 0.000 0.488 37 G N 2.256 111.047 108.800 -0.016 0.000 2.175 37 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 37 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 37 G C -0.212 174.684 174.900 -0.008 0.000 0.982 37 G CA 0.662 45.756 45.100 -0.010 0.000 0.641 37 G HN 0.804 9.094 8.290 -0.000 0.000 0.527 38 M N -1.451 118.140 119.600 -0.015 0.000 2.562 38 M HA 0.793 5.274 4.480 0.001 0.000 0.281 38 M C -1.080 175.207 176.300 -0.022 0.000 1.195 38 M CA -1.000 54.292 55.300 -0.013 0.000 0.888 38 M CB 1.216 33.804 32.600 -0.020 0.000 1.731 38 M HN 0.003 8.293 8.290 -0.000 0.000 0.493 39 I N 1.607 122.171 120.570 -0.010 0.000 2.433 39 I HA 0.499 4.669 4.170 0.001 0.000 0.292 39 I C -0.515 175.589 176.117 -0.023 0.000 1.001 39 I CA -0.784 60.506 61.300 -0.017 0.000 1.119 39 I CB 2.016 40.019 38.000 0.005 0.000 1.289 39 I HN 0.665 8.875 8.210 -0.000 0.000 0.438 40 K N 5.381 125.743 120.400 -0.062 0.000 2.211 40 K HA 0.591 4.912 4.320 0.001 0.000 0.275 40 K C -1.076 175.536 176.600 0.019 0.000 1.024 40 K CA -0.539 55.704 56.287 -0.074 0.000 0.887 40 K CB 2.023 34.332 32.500 -0.318 0.000 1.084 40 K HN 0.298 8.548 8.250 -0.000 0.000 0.463 41 V N 2.262 122.223 119.914 0.078 0.000 2.555 41 V HA 0.319 4.439 4.120 0.001 0.000 0.302 41 V C -0.297 175.765 176.094 -0.052 0.000 1.038 41 V CA -0.794 61.471 62.300 -0.058 0.000 0.887 41 V CB 1.799 33.493 31.823 -0.214 0.000 0.991 41 V HN 0.899 9.089 8.190 -0.000 0.000 0.434 42 S N 3.424 119.022 115.700 -0.171 0.000 2.536 42 S HA 0.894 5.364 4.470 0.001 0.000 0.298 42 S C -1.120 173.264 174.600 -0.360 0.000 1.083 42 S CA -0.617 57.500 58.200 -0.138 0.000 0.995 42 S CB 1.752 64.978 63.200 0.044 0.000 1.058 42 S HN 0.319 8.629 8.310 -0.000 0.000 0.488 43 F N 1.108 121.138 119.950 0.133 0.000 2.598 43 F HA 0.561 5.088 4.527 0.001 0.000 0.327 43 F C 0.517 176.309 175.800 -0.013 0.000 1.057 43 F CA -1.623 56.408 58.000 0.052 0.000 0.957 43 F CB 1.503 40.526 39.000 0.038 0.000 1.278 43 F HN 0.744 9.044 8.300 -0.000 0.000 0.484 44 M N 1.682 121.356 119.600 0.123 0.000 2.252 44 M HA 0.261 4.741 4.480 0.001 0.000 0.329 44 M C 0.673 176.673 176.300 -0.499 0.000 1.101 44 M CA -0.094 55.036 55.300 -0.284 0.000 1.117 44 M CB 0.462 32.958 32.600 -0.173 0.000 1.563 44 M HN 0.812 9.102 8.290 -0.000 0.000 0.445 45 L N 0.695 121.114 121.223 -1.340 0.000 3.370 45 L HA -0.224 4.116 4.340 0.001 0.000 0.308 45 L C 0.823 177.501 176.870 -0.319 0.000 4.222 45 L CA 2.923 57.169 54.840 -0.990 0.000 1.163 45 L CB -2.087 39.545 42.059 -0.711 0.000 3.373 45 L HN 1.177 9.407 8.230 -0.000 0.000 0.809 46 T N -0.024 114.530 114.554 -0.001 0.000 2.916 46 T HA 0.470 4.820 4.350 0.001 0.000 0.303 46 T C 1.151 176.085 174.700 0.389 0.000 1.025 46 T CA 0.308 62.596 62.100 0.314 0.000 1.142 46 T CB 1.126 70.262 68.868 0.446 0.000 0.947 46 T HN 0.742 8.982 8.240 -0.000 0.000 0.544 47 A N 4.270 127.265 122.820 0.292 0.000 2.251 47 A HA 0.215 4.536 4.320 0.001 0.000 0.209 47 A C 1.066 178.668 177.584 0.031 0.000 1.187 47 A CA 0.119 52.207 52.037 0.085 0.000 0.823 47 A CB -0.116 18.636 19.000 -0.413 0.000 0.846 47 A HN 0.871 9.021 8.150 -0.000 0.000 0.486 48 Q N -0.814 119.041 119.800 0.091 0.000 2.299 48 Q HA 0.424 4.764 4.340 0.001 0.000 0.246 48 Q C -1.253 174.640 176.000 -0.179 0.000 0.935 48 Q CA -0.287 55.487 55.803 -0.048 0.000 0.887 48 Q CB 0.798 29.483 28.738 -0.089 0.000 1.223 48 Q HN 0.432 8.702 8.270 -0.000 0.000 0.439 49 F N 1.189 121.086 119.950 -0.088 0.000 2.385 49 F HA 0.304 4.831 4.527 0.000 0.000 0.336 49 F C -0.269 175.330 175.800 -0.335 0.000 1.100 49 F CA -0.257 57.689 58.000 -0.091 0.000 1.116 49 F CB 0.520 39.495 39.000 -0.043 0.000 1.166 49 F HN 0.399 8.699 8.300 -0.000 0.000 0.511 50 Y N 0.509 120.938 120.300 0.215 0.000 2.602 50 Y HA 0.523 5.073 4.550 0.000 0.000 0.330 50 Y C -0.148 175.801 175.900 0.082 0.000 1.114 50 Y CA -1.017 57.162 58.100 0.131 0.000 1.182 50 Y CB 1.346 39.891 38.460 0.142 0.000 1.305 50 Y HN 0.446 8.726 8.280 -0.000 0.000 0.502 51 E N 1.687 122.015 120.200 0.213 0.000 2.288 51 E HA 0.584 4.934 4.350 0.001 0.000 0.268 51 E C -1.545 175.123 176.600 0.112 0.000 0.885 51 E CA -0.920 55.547 56.400 0.112 0.000 0.767 51 E CB 3.338 33.076 29.700 0.063 0.000 1.220 51 E HN 0.512 8.872 8.360 -0.000 0.000 0.427 52 I N 1.009 121.626 120.570 0.079 0.000 2.582 52 I HA 0.276 4.446 4.170 0.001 0.000 0.292 52 I C -0.967 175.188 176.117 0.064 0.000 1.066 52 I CA -0.797 60.552 61.300 0.083 0.000 1.053 52 I CB 1.485 39.542 38.000 0.095 0.000 1.241 52 I HN 0.306 8.516 8.210 -0.000 0.000 0.421 53 K N 7.766 128.206 120.400 0.067 0.000 2.298 53 K HA 0.307 4.628 4.320 0.001 0.000 0.280 53 K C -2.270 174.359 176.600 0.048 0.000 1.032 53 K CA -1.434 54.882 56.287 0.049 0.000 0.958 53 K CB 0.617 33.145 32.500 0.047 0.000 0.978 53 K HN 0.331 8.581 8.250 -0.000 0.000 0.472 54 P HA -0.001 4.419 4.420 -0.000 0.000 0.225 54 P C -0.554 176.758 177.300 0.020 0.000 1.768 54 P CA -0.099 63.015 63.100 0.024 0.000 0.943 54 P CB -0.430 31.277 31.700 0.012 0.000 1.936 55 T N -2.842 111.729 114.554 0.027 0.000 2.934 55 T HA 0.239 4.590 4.350 0.001 0.000 0.283 55 T C 1.280 175.983 174.700 0.005 0.000 1.005 55 T CA -0.886 61.225 62.100 0.018 0.000 1.041 55 T CB 1.827 70.711 68.868 0.027 0.000 1.042 55 T HN -0.023 8.217 8.240 -0.000 0.000 0.505 56 K N 1.053 121.450 120.400 -0.005 0.000 2.152 56 K HA -0.175 4.146 4.320 0.001 0.000 0.206 56 K C 1.528 178.103 176.600 -0.041 0.000 1.048 56 K CA 1.715 57.989 56.287 -0.021 0.000 0.933 56 K CB -0.288 32.201 32.500 -0.019 0.000 0.721 56 K HN 0.815 9.065 8.250 -0.000 0.000 0.447 57 E N 0.678 120.861 120.200 -0.028 0.000 2.106 57 E HA -0.149 4.202 4.350 0.001 0.000 0.192 57 E C 1.290 177.833 176.600 -0.094 0.000 0.984 57 E CA 0.872 57.245 56.400 -0.046 0.000 0.806 57 E CB -0.601 29.101 29.700 0.004 0.000 0.750 57 E HN 0.313 8.673 8.360 -0.000 0.000 0.458 58 N N 1.176 119.870 118.700 -0.010 0.000 2.461 58 N HA -0.051 4.690 4.740 0.001 0.000 0.188 58 N C 1.507 176.994 175.510 -0.038 0.000 1.134 58 N CA 0.334 53.418 53.050 0.056 0.000 0.878 58 N CB 0.135 38.723 38.487 0.167 0.000 0.972 58 N HN 0.406 8.786 8.380 -0.000 0.000 0.456 59 E N 0.670 120.819 120.200 -0.085 0.000 2.070 59 E HA -0.250 4.100 4.350 0.001 0.000 0.197 59 E C 1.302 177.856 176.600 -0.076 0.000 1.004 59 E CA 1.354 57.718 56.400 -0.060 0.000 0.805 59 E CB 0.243 29.907 29.700 -0.061 0.000 0.744 59 E HN 0.105 8.465 8.360 -0.000 0.000 0.451 60 Q N -0.822 118.869 119.800 -0.182 0.000 2.123 60 Q HA -0.116 4.225 4.340 0.001 0.000 0.199 60 Q C 1.716 177.692 176.000 -0.041 0.000 0.966 60 Q CA 1.243 56.956 55.803 -0.149 0.000 0.845 60 Q CB -0.261 28.339 28.738 -0.230 0.000 0.907 60 Q HN 0.436 8.706 8.270 -0.000 0.000 0.439 61 Y N -0.214 120.105 120.300 0.032 0.000 2.224 61 Y HA -0.145 4.405 4.550 0.001 0.000 0.289 61 Y C 1.968 177.894 175.900 0.043 0.000 1.146 61 Y CA 0.560 58.688 58.100 0.046 0.000 1.182 61 Y CB -0.595 37.898 38.460 0.055 0.000 0.983 61 Y HN 0.107 8.387 8.280 -0.000 0.000 0.524 62 I N -0.657 120.015 120.570 0.171 0.000 2.252 62 I HA -0.214 3.956 4.170 0.001 0.000 0.245 62 I C 2.677 178.836 176.117 0.070 0.000 1.102 62 I CA 1.431 62.793 61.300 0.103 0.000 1.385 62 I CB -0.913 37.127 38.000 0.067 0.000 1.064 62 I HN 0.245 8.455 8.210 -0.000 0.000 0.414 63 G N 0.756 109.587 108.800 0.051 0.000 2.442 63 G HA2 -0.252 3.708 3.960 0.001 0.000 0.219 63 G HA3 -0.252 3.708 3.960 0.001 0.000 0.219 63 G C 1.731 176.661 174.900 0.050 0.000 1.141 63 G CA 0.656 45.777 45.100 0.036 0.000 0.763 63 G HN 0.240 8.530 8.290 -0.000 0.000 0.554 64 M N -0.168 119.479 119.600 0.078 0.000 2.117 64 M HA 0.083 4.563 4.480 0.001 0.000 0.262 64 M C 2.553 178.898 176.300 0.075 0.000 1.065 64 M CA 1.015 56.366 55.300 0.086 0.000 1.114 64 M CB -0.372 32.307 32.600 0.132 0.000 1.361 64 M HN 0.138 8.428 8.290 -0.000 0.000 0.408 65 L N -0.483 120.792 121.223 0.087 0.000 2.017 65 L HA -0.206 4.135 4.340 0.001 0.000 0.208 65 L C 2.689 179.580 176.870 0.036 0.000 1.073 65 L CA 1.372 56.253 54.840 0.068 0.000 0.745 65 L CB -0.663 41.438 42.059 0.069 0.000 0.894 65 L HN 0.274 8.504 8.230 -0.000 0.000 0.432 66 R N -0.290 120.229 120.500 0.031 0.000 2.083 66 R HA -0.249 4.092 4.340 0.001 0.000 0.237 66 R C 2.303 178.610 176.300 0.012 0.000 1.137 66 R CA 1.788 57.897 56.100 0.016 0.000 0.951 66 R CB -0.372 29.936 30.300 0.015 0.000 0.851 66 R HN 0.294 8.564 8.270 -0.000 0.000 0.434 67 Q N 0.486 120.297 119.800 0.017 0.000 2.119 67 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 67 Q C 1.918 177.921 176.000 0.006 0.000 0.972 67 Q CA 1.799 57.608 55.803 0.011 0.000 0.847 67 Q CB -0.116 28.632 28.738 0.016 0.000 0.903 67 Q HN 0.351 8.621 8.270 -0.000 0.000 0.433 68 A N -0.662 122.165 122.820 0.013 0.000 1.898 68 A HA -0.099 4.222 4.320 0.001 0.000 0.216 68 A C 2.242 179.823 177.584 -0.005 0.000 1.181 68 A CA 1.451 53.490 52.037 0.003 0.000 0.620 68 A CB -0.805 18.203 19.000 0.014 0.000 0.819 68 A HN 0.266 8.416 8.150 -0.000 0.000 0.442 69 V N 0.579 120.493 119.914 -0.000 0.000 2.332 69 V HA -0.322 3.799 4.120 0.001 0.000 0.248 69 V C 2.570 178.652 176.094 -0.019 0.000 1.055 69 V CA 2.532 64.826 62.300 -0.010 0.000 1.038 69 V CB -0.717 31.099 31.823 -0.012 0.000 0.651 69 V HN 0.762 8.952 8.190 -0.000 0.000 0.450 70 K N 0.381 120.772 120.400 -0.015 0.000 2.009 70 K HA -0.201 4.120 4.320 0.001 0.000 0.210 70 K C 1.616 178.200 176.600 -0.027 0.000 1.049 70 K CA 2.084 58.358 56.287 -0.020 0.000 0.929 70 K CB -0.167 32.325 32.500 -0.013 0.000 0.714 70 K HN 0.438 8.688 8.250 -0.000 0.000 0.440 71 N N 1.044 119.730 118.700 -0.022 0.000 2.280 71 N HA -0.051 4.689 4.740 0.001 0.000 0.192 71 N C -0.766 174.725 175.510 -0.032 0.000 1.109 71 N CA 0.343 53.377 53.050 -0.025 0.000 0.855 71 N CB 0.616 39.093 38.487 -0.017 0.000 0.974 71 N HN 0.333 8.713 8.380 -0.000 0.000 0.482 72 E N 0.947 121.126 120.200 -0.036 0.000 2.252 72 E HA -0.190 4.161 4.350 0.001 0.000 0.218 72 E C -1.073 175.498 176.600 -0.048 0.000 1.253 72 E CA 0.123 56.498 56.400 -0.041 0.000 0.705 72 E CB -1.176 28.494 29.700 -0.051 0.000 1.172 72 E HN 0.391 8.751 8.360 -0.000 0.000 0.369 73 S N 0.251 115.917 115.700 -0.056 0.000 2.607 73 S HA 0.839 5.310 4.470 0.001 0.000 0.303 73 S C -2.553 171.954 174.600 -0.155 0.000 1.086 73 S CA -1.504 56.649 58.200 -0.078 0.000 0.995 73 S CB 2.311 65.487 63.200 -0.039 0.000 1.084 73 S HN 0.094 8.404 8.310 -0.000 0.000 0.507 74 P HA 0.506 4.926 4.420 -0.000 0.000 0.281 74 P C -0.585 176.593 177.300 -0.203 0.000 1.249 74 P CA -0.504 62.328 63.100 -0.447 0.000 0.810 74 P CB 1.169 32.395 31.700 -0.791 0.000 1.008 75 V N -1.563 118.246 119.914 -0.175 0.000 3.181 75 V HA 0.514 4.634 4.120 0.001 0.000 0.308 75 V C -0.920 175.151 176.094 -0.039 0.000 1.214 75 V CA -1.036 61.238 62.300 -0.042 0.000 1.053 75 V CB 1.773 33.612 31.823 0.026 0.000 1.069 75 V HN 0.640 8.830 8.190 -0.000 0.000 0.441 76 H N 1.641 120.670 119.070 -0.068 0.000 2.519 76 H HA 0.681 5.237 4.556 0.001 0.000 0.316 76 H C -0.971 174.223 175.328 -0.223 0.000 1.065 76 H CA -0.919 55.041 56.048 -0.147 0.000 1.264 76 H CB 1.187 30.906 29.762 -0.073 0.000 1.413 76 H HN 0.597 8.877 8.280 -0.000 0.000 0.465 77 I N 6.386 126.921 120.570 -0.058 0.000 2.377 77 I HA 0.173 4.343 4.170 0.001 0.000 0.293 77 I C -0.707 175.191 176.117 -0.365 0.000 0.987 77 I CA -0.416 60.776 61.300 -0.180 0.000 1.185 77 I CB 0.837 38.632 38.000 -0.341 0.000 1.341 77 I HN 0.560 8.770 8.210 -0.000 0.000 0.455 78 F N 5.810 125.739 119.950 -0.035 0.000 2.507 78 F HA 0.544 5.071 4.527 0.001 0.000 0.325 78 F C 0.007 175.782 175.800 -0.041 0.000 1.116 78 F CA -0.629 57.357 58.000 -0.022 0.000 0.930 78 F CB 1.620 40.569 39.000 -0.085 0.000 1.146 78 F HN 0.091 8.391 8.300 -0.000 0.000 0.447 79 L N 3.735 125.058 121.223 0.166 0.000 2.331 79 L HA 0.467 4.807 4.340 0.001 0.000 0.275 79 L C -0.102 176.845 176.870 0.129 0.000 1.022 79 L CA -1.350 53.560 54.840 0.117 0.000 0.812 79 L CB 1.372 43.505 42.059 0.123 0.000 1.257 79 L HN 0.471 8.701 8.230 -0.000 0.000 0.435 80 K N 2.987 123.451 120.400 0.106 0.000 2.484 80 K HA 0.129 4.449 4.320 0.001 0.000 0.280 80 K C -2.304 174.357 176.600 0.102 0.000 1.013 80 K CA -1.357 54.986 56.287 0.092 0.000 1.029 80 K CB 0.021 32.569 32.500 0.080 0.000 0.902 80 K HN 0.282 8.532 8.250 -0.000 0.000 0.481 81 P HA -0.109 4.311 4.420 -0.000 0.000 0.267 81 P C 0.195 177.550 177.300 0.093 0.000 1.200 81 P CA 0.132 63.289 63.100 0.095 0.000 0.772 81 P CB 0.275 32.020 31.700 0.075 0.000 0.855 82 N N -0.266 118.494 118.700 0.101 0.000 2.725 82 N HA -0.194 4.546 4.740 0.001 0.000 0.249 82 N C -0.837 174.730 175.510 0.094 0.000 1.103 82 N CA 1.348 54.453 53.050 0.091 0.000 0.707 82 N CB -1.521 37.008 38.487 0.069 0.000 1.043 82 N HN 0.665 9.045 8.380 -0.000 0.000 0.553 83 S N -1.508 114.263 115.700 0.118 0.000 2.671 83 S HA 0.567 5.037 4.470 0.001 0.000 0.277 83 S C 0.429 175.129 174.600 0.167 0.000 1.165 83 S CA -0.252 58.018 58.200 0.117 0.000 0.822 83 S CB 0.872 64.132 63.200 0.101 0.000 1.150 83 S HN 0.238 8.548 8.310 -0.000 0.000 0.479 84 N N -0.036 118.751 118.700 0.145 0.000 2.268 84 N HA 0.097 4.837 4.740 0.001 0.000 0.204 84 N C -0.090 175.595 175.510 0.291 0.000 1.124 84 N CA -0.260 52.917 53.050 0.211 0.000 0.838 84 N CB -0.018 38.446 38.487 -0.038 0.000 0.994 84 N HN 0.828 9.208 8.380 -0.000 0.000 0.489 85 E N 0.980 121.296 120.200 0.193 0.000 2.227 85 E HA 0.271 4.621 4.350 0.001 0.000 0.282 85 E C -0.561 176.121 176.600 0.138 0.000 1.015 85 E CA -0.619 55.873 56.400 0.154 0.000 0.823 85 E CB 0.926 30.688 29.700 0.103 0.000 1.081 85 E HN 0.171 8.531 8.360 -0.000 0.000 0.396 86 I N 4.511 125.154 120.570 0.122 0.000 2.396 86 I HA 0.136 4.306 4.170 0.001 0.000 0.289 86 I C 1.235 177.384 176.117 0.052 0.000 1.056 86 I CA 0.130 61.471 61.300 0.069 0.000 1.365 86 I CB 1.291 39.335 38.000 0.073 0.000 1.407 86 I HN 0.807 9.017 8.210 -0.000 0.000 0.509 87 G N 5.853 114.673 108.800 0.034 0.000 2.719 87 G HA2 0.077 4.037 3.960 0.001 0.000 0.211 87 G HA3 0.077 4.037 3.960 0.001 0.000 0.211 87 G C 0.392 175.224 174.900 -0.114 0.000 1.140 87 G CA 0.155 45.263 45.100 0.014 0.000 0.790 87 G HN 0.554 8.844 8.290 -0.000 0.000 0.529 88 K N -0.640 119.628 120.400 -0.219 0.000 2.578 88 K HA 0.489 4.809 4.320 0.001 0.000 0.269 88 K C -2.211 174.149 176.600 -0.400 0.000 0.941 88 K CA -0.581 55.314 56.287 -0.654 0.000 0.847 88 K CB 2.299 34.551 32.500 -0.412 0.000 1.397 88 K HN -0.128 8.122 8.250 -0.000 0.000 0.422 89 V N 2.529 122.041 119.914 -0.671 0.000 2.577 89 V HA 0.412 4.533 4.120 0.001 0.000 0.303 89 V C -0.913 175.225 176.094 0.074 0.000 1.042 89 V CA -0.763 61.474 62.300 -0.106 0.000 0.872 89 V CB 1.714 33.553 31.823 0.026 0.000 0.998 89 V HN 0.806 8.996 8.190 -0.000 0.000 0.423 90 E N 1.648 121.947 120.200 0.166 0.000 2.235 90 E HA 0.587 4.937 4.350 0.001 0.000 0.265 90 E C -0.233 176.467 176.600 0.167 0.000 0.940 90 E CA -0.589 55.922 56.400 0.186 0.000 0.819 90 E CB 2.087 31.908 29.700 0.202 0.000 1.206 90 E HN 0.816 9.176 8.360 -0.000 0.000 0.409 91 S N 0.458 116.241 115.700 0.140 0.000 2.589 91 S HA 0.492 4.963 4.470 0.001 0.000 0.265 91 S C 0.009 174.674 174.600 0.108 0.000 1.342 91 S CA -0.830 57.433 58.200 0.106 0.000 1.005 91 S CB 1.045 64.297 63.200 0.087 0.000 0.909 91 S HN 0.549 8.859 8.310 -0.000 0.000 0.555 92 A N 1.364 124.228 122.820 0.073 0.000 2.312 92 A HA 0.695 5.015 4.320 0.001 0.000 0.328 92 A C 0.525 178.153 177.584 0.073 0.000 1.158 92 A CA -0.525 51.554 52.037 0.069 0.000 0.821 92 A CB 0.667 19.684 19.000 0.028 0.000 1.170 92 A HN 1.352 9.502 8.150 -0.000 0.000 0.490 93 S N 1.568 117.318 115.700 0.083 0.000 2.614 93 S HA 0.394 4.864 4.470 0.001 0.000 0.265 93 S C -2.037 172.609 174.600 0.076 0.000 1.303 93 S CA -0.850 57.394 58.200 0.074 0.000 1.000 93 S CB 0.574 63.818 63.200 0.072 0.000 0.935 93 S HN 0.396 8.706 8.310 -0.000 0.000 0.551 94 P HA -0.059 4.361 4.420 -0.000 0.000 0.219 94 P C 0.932 178.278 177.300 0.078 0.000 1.146 94 P CA 1.126 64.263 63.100 0.062 0.000 0.808 94 P CB 0.018 31.746 31.700 0.047 0.000 0.779 95 E N -0.543 119.703 120.200 0.077 0.000 2.072 95 E HA -0.157 4.194 4.350 0.001 0.000 0.191 95 E C 1.761 178.447 176.600 0.143 0.000 0.985 95 E CA 1.134 57.586 56.400 0.086 0.000 0.801 95 E CB -0.932 28.801 29.700 0.054 0.000 0.750 95 E HN 0.258 8.618 8.360 -0.000 0.000 0.452 96 D N -0.032 120.464 120.400 0.160 0.000 2.092 96 D HA -0.148 4.492 4.640 0.001 0.000 0.193 96 D C 2.060 178.576 176.300 0.360 0.000 0.994 96 D CA 1.196 55.365 54.000 0.283 0.000 0.828 96 D CB -0.464 40.464 40.800 0.213 0.000 0.963 96 D HN 0.030 8.400 8.370 -0.000 0.000 0.450 97 V N 1.007 121.043 119.914 0.205 0.000 2.252 97 V HA -0.276 3.844 4.120 0.001 0.000 0.249 97 V C 2.622 178.815 176.094 0.165 0.000 1.056 97 V CA 1.934 64.329 62.300 0.159 0.000 1.022 97 V CB -0.523 31.352 31.823 0.086 0.000 0.641 97 V HN 0.137 8.327 8.190 -0.000 0.000 0.445 98 R N -1.205 119.376 120.500 0.136 0.000 2.103 98 R HA -0.249 4.091 4.340 0.001 0.000 0.242 98 R C 2.395 178.761 176.300 0.111 0.000 1.142 98 R CA 2.384 58.545 56.100 0.103 0.000 0.960 98 R CB -0.478 29.875 30.300 0.088 0.000 0.858 98 R HN 0.664 8.934 8.270 -0.000 0.000 0.439 99 Y N -0.097 120.224 120.300 0.035 0.000 2.163 99 Y HA -0.173 4.377 4.550 0.001 0.000 0.288 99 Y C 1.634 177.467 175.900 -0.110 0.000 1.136 99 Y CA 1.628 59.693 58.100 -0.059 0.000 1.147 99 Y CB -0.482 37.907 38.460 -0.118 0.000 0.987 99 Y HN -0.004 8.276 8.280 -0.000 0.000 0.509 100 F N 0.758 120.614 119.950 -0.157 0.000 2.293 100 F HA -0.104 4.423 4.527 0.001 0.000 0.300 100 F C 2.233 177.901 175.800 -0.220 0.000 1.086 100 F CA 1.547 59.394 58.000 -0.255 0.000 1.375 100 F CB -0.269 38.689 39.000 -0.070 0.000 1.045 100 F HN -0.042 8.258 8.300 -0.000 0.000 0.516 101 K N -0.419 119.993 120.400 0.020 0.000 2.211 101 K HA -0.132 4.189 4.320 0.001 0.000 0.203 101 K C 2.135 178.687 176.600 -0.081 0.000 1.050 101 K CA 1.698 57.975 56.287 -0.016 0.000 0.945 101 K CB -0.361 32.144 32.500 0.009 0.000 0.732 101 K HN 0.364 8.614 8.250 -0.000 0.000 0.451 102 T N -0.625 113.830 114.554 -0.165 0.000 2.896 102 T HA -0.056 4.295 4.350 0.001 0.000 0.263 102 T C 1.935 176.500 174.700 -0.225 0.000 1.050 102 T CA 0.878 62.874 62.100 -0.173 0.000 1.140 102 T CB -0.324 68.442 68.868 -0.170 0.000 0.877 102 T HN 0.345 8.585 8.240 -0.000 0.000 0.457 103 I N -1.590 118.743 120.570 -0.394 0.000 2.867 103 I HA 0.434 4.604 4.170 0.001 0.000 0.265 103 I C 0.620 176.609 176.117 -0.213 0.000 1.162 103 I CA -0.174 60.894 61.300 -0.387 0.000 1.471 103 I CB -0.009 37.577 38.000 -0.690 0.000 1.123 103 I HN 0.076 8.286 8.210 -0.000 0.000 0.440 104 L N 2.346 123.481 121.223 -0.146 0.000 2.321 104 L HA 0.525 4.866 4.340 0.001 0.000 0.272 104 L C -0.287 176.551 176.870 -0.054 0.000 1.050 104 L CA 0.176 54.980 54.840 -0.060 0.000 0.893 104 L CB 0.467 42.535 42.059 0.015 0.000 1.272 104 L HN 0.194 8.424 8.230 -0.000 0.000 0.435 105 T N 1.898 116.436 114.554 -0.027 0.000 2.916 105 T HA 0.373 4.723 4.350 0.001 0.000 0.292 105 T C 0.761 175.471 174.700 0.018 0.000 1.055 105 T CA -0.587 61.522 62.100 0.014 0.000 1.009 105 T CB 1.365 70.284 68.868 0.084 0.000 1.118 105 T HN 0.441 8.681 8.240 -0.000 0.000 0.497 106 K N 1.174 121.589 120.400 0.025 0.000 2.393 106 K HA 0.121 4.441 4.320 0.001 0.000 0.193 106 K C 0.354 177.083 176.600 0.216 0.000 1.026 106 K CA 0.223 56.531 56.287 0.035 0.000 1.064 106 K CB 0.256 32.751 32.500 -0.008 0.000 0.833 106 K HN 0.687 8.937 8.250 -0.000 0.000 0.521 107 E N 1.449 121.779 120.200 0.217 0.000 2.344 107 E HA 0.049 4.399 4.350 0.001 0.000 0.270 107 E C -0.291 176.480 176.600 0.286 0.000 1.021 107 E CA -0.141 56.379 56.400 0.199 0.000 0.887 107 E CB 1.240 31.005 29.700 0.109 0.000 0.997 107 E HN -0.285 8.075 8.360 -0.000 0.000 0.429 108 V N 4.523 124.536 119.914 0.166 0.000 2.322 108 V HA 0.065 4.185 4.120 0.001 0.000 0.258 108 V C 0.320 176.426 176.094 0.020 0.000 1.074 108 V CA -0.419 61.926 62.300 0.076 0.000 0.909 108 V CB -0.166 31.668 31.823 0.019 0.000 1.090 108 V HN 0.485 8.675 8.190 -0.000 0.000 0.486 109 K N 3.809 124.185 120.400 -0.040 0.000 2.276 109 K HA 0.488 4.808 4.320 0.001 0.000 0.285 109 K C 0.721 177.250 176.600 -0.118 0.000 1.062 109 K CA -0.202 55.971 56.287 -0.190 0.000 0.918 109 K CB 1.404 33.589 32.500 -0.526 0.000 1.055 109 K HN 0.749 8.999 8.250 -0.000 0.000 0.477 110 G N 1.880 110.635 108.800 -0.075 0.000 2.467 110 G HA2 0.031 3.991 3.960 0.001 0.000 0.257 110 G HA3 0.031 3.991 3.960 0.001 0.000 0.257 110 G C -0.416 174.459 174.900 -0.041 0.000 1.227 110 G CA -0.352 44.725 45.100 -0.038 0.000 0.835 110 G HN 0.504 8.794 8.290 -0.000 0.000 0.556 111 Q N 0.863 120.657 119.800 -0.011 0.000 2.289 111 Q HA 0.200 4.541 4.340 0.001 0.000 0.273 111 Q C 1.367 177.357 176.000 -0.016 0.000 1.029 111 Q CA 0.491 56.290 55.803 -0.007 0.000 0.896 111 Q CB 0.717 29.463 28.738 0.014 0.000 1.182 111 Q HN 0.447 8.717 8.270 -0.000 0.000 0.385 112 T N 2.959 117.500 114.554 -0.023 0.000 2.612 112 T HA -0.077 4.274 4.350 0.001 0.000 0.259 112 T C 0.148 174.837 174.700 -0.019 0.000 1.065 112 T CA 1.383 63.468 62.100 -0.024 0.000 1.167 112 T CB -0.434 68.418 68.868 -0.027 0.000 0.863 112 T HN 0.885 9.125 8.240 -0.000 0.000 0.407 113 N N 2.056 120.745 118.700 -0.019 0.000 2.416 113 N HA 0.142 4.883 4.740 0.001 0.000 0.246 113 N C -0.559 174.940 175.510 -0.019 0.000 1.260 113 N CA -0.381 52.656 53.050 -0.021 0.000 0.897 113 N CB 0.293 38.765 38.487 -0.025 0.000 1.110 113 N HN 0.026 8.406 8.380 -0.000 0.000 0.439 114 K N 1.230 121.617 120.400 -0.022 0.000 2.310 114 K HA 0.348 4.669 4.320 0.001 0.000 0.290 114 K C -1.353 175.230 176.600 -0.028 0.000 1.077 114 K CA -0.059 56.216 56.287 -0.020 0.000 0.922 114 K CB -0.293 32.195 32.500 -0.020 0.000 1.057 114 K HN 0.651 8.901 8.250 -0.000 0.000 0.479 115 L N 2.770 123.984 121.223 -0.014 0.000 2.323 115 L HA 0.686 5.027 4.340 0.001 0.000 0.265 115 L C -0.359 176.523 176.870 0.019 0.000 1.012 115 L CA -1.555 53.275 54.840 -0.016 0.000 0.820 115 L CB 2.150 44.212 42.059 0.005 0.000 1.334 115 L HN 0.677 8.907 8.230 -0.000 0.000 0.427 116 A N 0.233 123.079 122.820 0.043 0.000 2.320 116 A HA 0.432 4.752 4.320 0.001 0.000 0.287 116 A C 0.830 178.530 177.584 0.192 0.000 1.181 116 A CA -0.060 52.054 52.037 0.129 0.000 0.831 116 A CB 0.655 19.773 19.000 0.197 0.000 1.102 116 A HN 0.851 9.001 8.150 -0.000 0.000 0.513 117 S N 1.533 117.305 115.700 0.119 0.000 2.496 117 S HA 0.122 4.592 4.470 0.001 0.000 0.224 117 S C 0.317 174.962 174.600 0.076 0.000 0.996 117 S CA 0.507 58.762 58.200 0.092 0.000 0.927 117 S CB -0.222 63.012 63.200 0.056 0.000 0.774 117 S HN 0.512 8.822 8.310 -0.000 0.000 0.524 118 V N 2.560 122.525 119.914 0.084 0.000 2.444 118 V HA 0.459 4.579 4.120 0.001 0.000 0.294 118 V C -0.596 175.502 176.094 0.006 0.000 1.022 118 V CA -0.957 61.363 62.300 0.033 0.000 0.850 118 V CB 1.229 33.062 31.823 0.017 0.000 0.992 118 V HN 0.232 8.422 8.190 -0.000 0.000 0.426 119 I N 8.730 129.231 120.570 -0.115 0.000 2.588 119 I HA 0.227 4.397 4.170 0.001 0.000 0.283 119 I C -0.901 175.178 176.117 -0.064 0.000 1.119 119 I CA -1.713 59.403 61.300 -0.307 0.000 1.419 119 I CB 1.026 38.786 38.000 -0.401 0.000 1.394 119 I HN 0.426 8.636 8.210 -0.000 0.000 0.562 120 P HA -0.060 4.360 4.420 -0.000 0.000 0.221 120 P C -0.730 176.601 177.300 0.053 0.000 1.150 120 P CA 1.153 64.278 63.100 0.043 0.000 0.800 120 P CB -0.026 31.721 31.700 0.078 0.000 0.787 121 D N -4.380 116.055 120.400 0.058 0.000 2.725 121 D HA 0.085 4.726 4.640 0.001 0.000 0.292 121 D C 0.613 176.948 176.300 0.058 0.000 1.288 121 D CA -0.860 53.195 54.000 0.093 0.000 0.784 121 D CB 0.328 41.158 40.800 0.050 0.000 1.308 121 D HN -0.357 8.013 8.370 -0.000 0.000 0.429 122 V N 0.334 120.280 119.914 0.055 0.000 2.343 122 V HA -0.169 3.952 4.120 0.001 0.000 0.247 122 V C 2.574 178.598 176.094 -0.117 0.000 1.051 122 V CA 2.595 64.826 62.300 -0.115 0.000 1.036 122 V CB -1.158 30.629 31.823 -0.061 0.000 0.654 122 V HN 0.798 8.988 8.190 -0.000 0.000 0.451 123 A N -0.055 122.736 122.820 -0.049 0.000 1.892 123 A HA -0.298 4.022 4.320 0.001 0.000 0.218 123 A C 2.405 179.965 177.584 -0.039 0.000 1.188 123 A CA 2.860 54.875 52.037 -0.036 0.000 0.631 123 A CB -1.095 17.900 19.000 -0.009 0.000 0.822 123 A HN 0.516 8.666 8.150 -0.000 0.000 0.447 124 T N -0.225 114.305 114.554 -0.040 0.000 2.777 124 T HA -0.089 4.262 4.350 0.001 0.000 0.266 124 T C 1.827 176.471 174.700 -0.093 0.000 1.040 124 T CA 1.307 63.384 62.100 -0.039 0.000 1.141 124 T CB -0.362 68.486 68.868 -0.034 0.000 0.868 124 T HN 0.330 8.570 8.240 -0.000 0.000 0.444 125 L N 2.231 123.354 121.223 -0.165 0.000 2.013 125 L HA -0.117 4.223 4.340 0.001 0.000 0.212 125 L C 1.900 178.695 176.870 -0.124 0.000 1.073 125 L CA 1.792 56.497 54.840 -0.225 0.000 0.753 125 L CB -0.769 41.011 42.059 -0.464 0.000 0.890 125 L HN 0.112 8.342 8.230 -0.000 0.000 0.432 126 N N -0.992 117.641 118.700 -0.112 0.000 2.244 126 N HA -0.153 4.587 4.740 0.001 0.000 0.183 126 N C 2.059 177.602 175.510 0.056 0.000 1.016 126 N CA 1.299 54.328 53.050 -0.035 0.000 0.866 126 N CB -0.383 38.062 38.487 -0.071 0.000 0.980 126 N HN 0.500 8.880 8.380 -0.000 0.000 0.430 127 S N 0.766 116.479 115.700 0.023 0.000 2.368 127 S HA 0.021 4.491 4.470 0.001 0.000 0.225 127 S C 1.988 176.618 174.600 0.050 0.000 1.030 127 S CA 0.591 58.815 58.200 0.041 0.000 0.999 127 S CB -0.225 62.995 63.200 0.033 0.000 0.844 127 S HN 0.213 8.523 8.310 -0.000 0.000 0.459 128 L N 0.007 121.253 121.223 0.039 0.000 2.042 128 L HA -0.050 4.290 4.340 0.001 0.000 0.210 128 L C 2.338 179.232 176.870 0.040 0.000 1.076 128 L CA 1.792 56.654 54.840 0.037 0.000 0.749 128 L CB -0.691 41.373 42.059 0.010 0.000 0.893 128 L HN 0.384 8.614 8.230 -0.000 0.000 0.432 129 F N 1.346 121.255 119.950 -0.068 0.000 2.095 129 F HA -0.271 4.257 4.527 0.001 0.000 0.298 129 F C 2.458 178.231 175.800 -0.044 0.000 1.104 129 F CA 1.779 59.736 58.000 -0.072 0.000 1.232 129 F CB -0.251 38.689 39.000 -0.100 0.000 0.987 129 F HN 0.126 8.426 8.300 -0.000 0.000 0.475 130 N N 0.468 119.212 118.700 0.073 0.000 2.166 130 N HA -0.197 4.543 4.740 0.001 0.000 0.186 130 N C 1.799 177.266 175.510 -0.072 0.000 1.019 130 N CA 1.628 54.675 53.050 -0.005 0.000 0.856 130 N CB -0.621 37.910 38.487 0.073 0.000 0.993 130 N HN 0.551 8.931 8.380 -0.000 0.000 0.426 131 Q N 0.336 120.114 119.800 -0.038 0.000 2.084 131 Q HA -0.022 4.318 4.340 0.001 0.000 0.202 131 Q C 2.156 178.129 176.000 -0.044 0.000 0.978 131 Q CA 0.887 56.675 55.803 -0.024 0.000 0.844 131 Q CB -0.082 28.659 28.738 0.005 0.000 0.898 131 Q HN 0.400 8.670 8.270 -0.000 0.000 0.426 132 I N 0.677 121.191 120.570 -0.093 0.000 2.202 132 I HA -0.280 3.890 4.170 0.001 0.000 0.242 132 I C 2.492 178.571 176.117 -0.063 0.000 1.091 132 I CA 1.134 62.397 61.300 -0.063 0.000 1.368 132 I CB -0.175 37.759 38.000 -0.109 0.000 1.058 132 I HN 0.115 8.325 8.210 -0.000 0.000 0.410 133 K N 0.812 121.030 120.400 -0.305 0.000 2.097 133 K HA -0.185 4.135 4.320 0.001 0.000 0.206 133 K C 1.778 178.346 176.600 -0.052 0.000 1.049 133 K CA 1.387 57.513 56.287 -0.268 0.000 0.933 133 K CB -0.013 32.220 32.500 -0.445 0.000 0.717 133 K HN 0.227 8.477 8.250 -0.000 0.000 0.442 134 N N 0.793 119.466 118.700 -0.045 0.000 2.430 134 N HA -0.130 4.610 4.740 0.001 0.000 0.186 134 N C 0.950 176.476 175.510 0.026 0.000 1.032 134 N CA 0.862 53.912 53.050 -0.001 0.000 0.893 134 N CB 0.065 38.550 38.487 -0.004 0.000 0.957 134 N HN 0.252 8.632 8.380 -0.000 0.000 0.442 135 Q N -0.151 119.679 119.800 0.050 0.000 2.280 135 Q HA 0.210 4.550 4.340 0.001 0.000 0.201 135 Q C -0.230 175.814 176.000 0.073 0.000 0.890 135 Q CA -0.031 55.801 55.803 0.049 0.000 0.947 135 Q CB 0.174 28.930 28.738 0.031 0.000 1.081 135 Q HN 0.111 8.381 8.270 -0.000 0.000 0.502 136 S N 0.813 116.605 115.700 0.154 0.000 2.533 136 S HA 0.061 4.531 4.470 0.001 0.000 0.282 136 S C 0.412 175.071 174.600 0.099 0.000 1.304 136 S CA -0.392 57.941 58.200 0.221 0.000 1.063 136 S CB 0.425 63.806 63.200 0.302 0.000 0.881 136 S HN 0.315 8.625 8.310 -0.000 0.000 0.493 137 c N 2.956 121.589 118.600 0.056 0.000 2.563 137 c HA 0.408 4.978 4.570 0.001 0.000 0.411 137 c C 1.850 175.977 174.090 0.062 0.000 1.386 137 c CA 0.994 57.348 56.329 0.040 0.000 1.703 137 c CB -0.985 41.541 42.510 0.027 0.000 2.596 137 c HN 1.238 9.468 8.230 -0.000 0.000 0.605 138 G N 2.534 111.359 108.800 0.042 0.000 2.213 138 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 138 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 138 G C 0.108 175.031 174.900 0.038 0.000 0.991 138 G CA 0.448 45.573 45.100 0.041 0.000 0.629 138 G HN 1.113 9.403 8.290 -0.000 0.000 0.517 139 T N -1.121 113.457 114.554 0.041 0.000 2.934 139 T HA 0.660 5.010 4.350 0.001 0.000 0.283 139 T C 1.642 176.356 174.700 0.023 0.000 1.005 139 T CA 0.791 62.911 62.100 0.033 0.000 1.041 139 T CB 1.676 70.566 68.868 0.038 0.000 1.042 139 T HN 0.969 9.209 8.240 -0.000 0.000 0.505 140 S N 0.195 115.906 115.700 0.019 0.000 2.461 140 S HA -0.085 4.385 4.470 0.001 0.000 0.228 140 S C 1.980 176.587 174.600 0.012 0.000 1.005 140 S CA 0.823 59.031 58.200 0.014 0.000 0.942 140 S CB -1.212 61.995 63.200 0.012 0.000 0.776 140 S HN 0.978 9.288 8.310 -0.000 0.000 0.514 141 T N 0.255 114.817 114.554 0.014 0.000 3.023 141 T HA 0.397 4.748 4.350 0.001 0.000 0.266 141 T C 0.871 175.577 174.700 0.010 0.000 1.093 141 T CA 0.375 62.482 62.100 0.011 0.000 1.129 141 T CB -0.574 68.301 68.868 0.012 0.000 0.899 141 T HN 0.555 8.795 8.240 -0.000 0.000 0.491 142 A N 1.542 124.369 122.820 0.013 0.000 2.462 142 A HA 0.565 4.886 4.320 0.001 0.000 0.243 142 A C 0.598 178.183 177.584 0.002 0.000 1.076 142 A CA -0.484 51.559 52.037 0.010 0.000 0.773 142 A CB 0.178 19.188 19.000 0.016 0.000 1.010 142 A HN 0.410 8.560 8.150 -0.000 0.000 0.493 143 S N 0.170 115.868 115.700 -0.003 0.000 2.707 143 S HA 0.564 5.034 4.470 0.001 0.000 0.276 143 S C 0.330 174.921 174.600 -0.015 0.000 1.179 143 S CA -0.527 57.669 58.200 -0.008 0.000 0.992 143 S CB 1.134 64.328 63.200 -0.009 0.000 1.030 143 S HN 0.749 9.059 8.310 -0.000 0.000 0.554 144 S N 2.450 118.140 115.700 -0.017 0.000 2.489 144 S HA 0.537 5.007 4.470 0.001 0.000 0.291 144 S C -2.483 172.100 174.600 -0.028 0.000 1.151 144 S CA -1.033 57.153 58.200 -0.023 0.000 1.082 144 S CB 0.732 63.920 63.200 -0.021 0.000 1.019 144 S HN 0.433 8.743 8.310 -0.000 0.000 0.492 145 P HA 0.337 4.757 4.420 -0.000 0.000 0.280 145 P C -0.236 177.034 177.300 -0.049 0.000 1.244 145 P CA -0.699 62.374 63.100 -0.044 0.000 0.784 145 P CB 0.020 31.686 31.700 -0.056 0.000 0.913 146 c N 2.205 120.777 118.600 -0.047 0.000 2.580 146 c HA 0.524 5.094 4.570 0.001 0.000 0.371 146 c C 0.723 174.747 174.090 -0.110 0.000 1.308 146 c CA -1.121 55.176 56.329 -0.055 0.000 2.428 146 c CB -0.503 41.991 42.510 -0.027 0.000 2.529 146 c HN 0.469 8.699 8.230 -0.000 0.000 0.657 147 I N 2.401 122.860 120.570 -0.184 0.000 2.352 147 I HA 0.185 4.355 4.170 0.001 0.000 0.290 147 I C 1.153 177.005 176.117 -0.442 0.000 1.036 147 I CA 0.184 61.226 61.300 -0.429 0.000 1.336 147 I CB 0.996 38.528 38.000 -0.780 0.000 1.407 147 I HN 0.890 9.100 8.210 -0.000 0.000 0.497 148 T N 2.181 116.556 114.554 -0.300 0.000 3.820 148 T HA 0.152 4.502 4.350 0.001 0.000 0.224 148 T C 0.911 175.620 174.700 0.014 0.000 0.869 148 T CA -0.307 61.762 62.100 -0.053 0.000 0.932 148 T CB -0.719 68.227 68.868 0.131 0.000 1.259 148 T HN 0.367 8.607 8.240 -0.000 0.000 0.676 149 F N 2.119 122.131 119.950 0.104 0.000 2.216 149 F HA -0.021 4.507 4.527 0.001 0.000 0.300 149 F C 2.547 178.414 175.800 0.112 0.000 1.085 149 F CA 0.809 58.869 58.000 0.100 0.000 1.326 149 F CB -0.404 38.637 39.000 0.069 0.000 1.027 149 F HN 0.416 8.716 8.300 -0.000 0.000 0.497 150 R N -0.777 119.894 120.500 0.286 0.000 2.316 150 R HA -0.147 4.193 4.340 0.001 0.000 0.202 150 R C -0.043 176.392 176.300 0.225 0.000 1.029 150 R CA 0.792 57.017 56.100 0.209 0.000 1.018 150 R CB -0.768 29.627 30.300 0.158 0.000 0.888 150 R HN 0.314 8.584 8.270 -0.000 0.000 0.471 151 Y N 2.572 122.919 120.300 0.078 0.000 2.842 151 Y HA 0.397 4.947 4.550 0.001 0.000 0.334 151 Y C -2.217 173.719 175.900 0.059 0.000 1.019 151 Y CA -3.726 54.390 58.100 0.026 0.000 1.258 151 Y CB 1.760 40.205 38.460 -0.026 0.000 1.106 151 Y HN -0.057 8.223 8.280 -0.000 0.000 0.545 152 P HA -0.053 4.367 4.420 -0.000 0.000 0.241 152 P C 1.482 178.742 177.300 -0.068 0.000 1.191 152 P CA 0.649 63.758 63.100 0.014 0.000 0.771 152 P CB 0.495 32.261 31.700 0.110 0.000 0.929 153 V N -0.202 119.345 119.914 -0.612 0.000 2.282 153 V HA -0.169 3.952 4.120 0.001 0.000 0.249 153 V C 1.180 177.179 176.094 -0.159 0.000 1.057 153 V CA 2.161 64.183 62.300 -0.463 0.000 1.032 153 V CB -0.683 30.682 31.823 -0.764 0.000 0.645 153 V HN 0.230 8.420 8.190 -0.000 0.000 0.447 154 D N -4.043 116.158 120.400 -0.332 0.000 2.692 154 D HA 0.494 5.134 4.640 0.001 0.000 0.303 154 D C 0.324 176.661 176.300 0.061 0.000 1.278 154 D CA 0.472 54.451 54.000 -0.035 0.000 0.852 154 D CB 1.483 42.361 40.800 0.130 0.000 1.375 154 D HN 0.252 8.622 8.370 -0.000 0.000 0.453 155 G N -0.545 108.310 108.800 0.091 0.000 2.179 155 G HA2 -0.304 3.656 3.960 0.001 0.000 0.220 155 G HA3 -0.304 3.656 3.960 0.001 0.000 0.220 155 G C 1.558 176.146 174.900 -0.521 0.000 0.990 155 G CA 0.970 45.923 45.100 -0.245 0.000 0.646 155 G HN 1.092 9.382 8.290 -0.000 0.000 0.517 156 C N 0.137 119.256 119.300 -0.301 0.000 2.385 156 C HA -0.154 4.307 4.460 0.001 0.000 0.275 156 C C 2.550 177.421 174.990 -0.199 0.000 1.199 156 C CA 2.016 60.897 59.018 -0.229 0.000 1.782 156 C CB -1.941 25.606 27.740 -0.323 0.000 2.068 156 C HN 1.153 9.383 8.230 -0.000 0.000 0.471 157 Y N 2.166 122.431 120.300 -0.058 0.000 2.181 157 Y HA 0.173 4.724 4.550 0.000 0.000 0.288 157 Y C 2.564 178.463 175.900 -0.003 0.000 1.146 157 Y CA 1.026 59.078 58.100 -0.079 0.000 1.164 157 Y CB -1.547 36.772 38.460 -0.235 0.000 0.982 157 Y HN 0.305 8.585 8.280 -0.000 0.000 0.515 158 A N 1.403 123.967 122.820 -0.427 0.000 1.929 158 A HA -0.082 4.238 4.320 0.001 0.000 0.216 158 A C 2.321 179.902 177.584 -0.004 0.000 1.176 158 A CA 1.213 53.235 52.037 -0.024 0.000 0.628 158 A CB -0.560 18.311 19.000 -0.217 0.000 0.816 158 A HN 0.502 8.652 8.150 -0.000 0.000 0.444 159 R N -0.365 120.062 120.500 -0.122 0.000 2.081 159 R HA -0.065 4.275 4.340 0.001 0.000 0.235 159 R C 2.434 178.737 176.300 0.005 0.000 1.131 159 R CA 1.207 57.233 56.100 -0.123 0.000 0.960 159 R CB -0.459 29.749 30.300 -0.154 0.000 0.856 159 R HN 0.494 8.764 8.270 -0.000 0.000 0.436 160 A N 0.484 123.330 122.820 0.043 0.000 1.930 160 A HA -0.184 4.136 4.320 0.001 0.000 0.217 160 A C 1.801 179.491 177.584 0.176 0.000 1.175 160 A CA 1.418 53.498 52.037 0.071 0.000 0.627 160 A CB -0.552 18.441 19.000 -0.011 0.000 0.815 160 A HN 0.263 8.413 8.150 -0.000 0.000 0.443 161 H N -0.591 118.567 119.070 0.146 0.000 2.389 161 H HA -0.005 4.552 4.556 0.001 0.000 0.299 161 H C 1.999 177.388 175.328 0.102 0.000 1.081 161 H CA 1.807 57.971 56.048 0.194 0.000 1.345 161 H CB 0.059 30.042 29.762 0.368 0.000 1.393 161 H HN 0.390 8.670 8.280 -0.000 0.000 0.520 162 K N -0.057 120.426 120.400 0.139 0.000 2.097 162 K HA -0.037 4.283 4.320 0.001 0.000 0.205 162 K C 2.112 178.724 176.600 0.021 0.000 1.050 162 K CA 1.156 57.464 56.287 0.035 0.000 0.938 162 K CB -0.107 32.385 32.500 -0.013 0.000 0.718 162 K HN 0.264 8.514 8.250 -0.000 0.000 0.442 163 M N -0.329 119.301 119.600 0.049 0.000 2.159 163 M HA -0.131 4.349 4.480 0.001 0.000 0.263 163 M C 2.282 178.599 176.300 0.028 0.000 1.063 163 M CA 1.535 56.872 55.300 0.062 0.000 1.110 163 M CB -0.216 32.443 32.600 0.099 0.000 1.374 163 M HN 0.117 8.407 8.290 -0.000 0.000 0.411 164 R N 0.556 121.063 120.500 0.011 0.000 2.081 164 R HA -0.208 4.132 4.340 0.001 0.000 0.235 164 R C 2.158 178.437 176.300 -0.036 0.000 1.131 164 R CA 1.800 57.890 56.100 -0.017 0.000 0.960 164 R CB -0.286 29.984 30.300 -0.049 0.000 0.856 164 R HN 0.440 8.710 8.270 -0.000 0.000 0.436 165 Q N 0.551 120.314 119.800 -0.062 0.000 2.096 165 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 165 Q C 2.064 178.054 176.000 -0.017 0.000 0.982 165 Q CA 1.945 57.715 55.803 -0.055 0.000 0.850 165 Q CB -0.111 28.594 28.738 -0.055 0.000 0.901 165 Q HN 0.493 8.763 8.270 -0.000 0.000 0.422 166 I N 0.333 120.903 120.570 0.001 0.000 2.208 166 I HA -0.312 3.859 4.170 0.001 0.000 0.245 166 I C 2.064 178.205 176.117 0.041 0.000 1.097 166 I CA 0.732 62.043 61.300 0.017 0.000 1.363 166 I CB -0.213 37.801 38.000 0.022 0.000 1.051 166 I HN 0.260 8.470 8.210 -0.000 0.000 0.413 167 L N -0.229 121.027 121.223 0.056 0.000 2.042 167 L HA -0.218 4.122 4.340 0.001 0.000 0.210 167 L C 2.512 179.443 176.870 0.102 0.000 1.076 167 L CA 1.962 56.875 54.840 0.121 0.000 0.749 167 L CB -0.542 41.587 42.059 0.116 0.000 0.893 167 L HN 0.211 8.441 8.230 -0.000 0.000 0.432 168 M N -1.144 118.478 119.600 0.036 0.000 2.229 168 M HA -0.167 4.314 4.480 0.001 0.000 0.264 168 M C 1.591 177.874 176.300 -0.029 0.000 1.063 168 M CA 1.067 56.365 55.300 -0.003 0.000 1.114 168 M CB -0.404 32.182 32.600 -0.023 0.000 1.387 168 M HN 0.260 8.550 8.290 -0.000 0.000 0.420 169 N N 0.608 119.299 118.700 -0.014 0.000 2.453 169 N HA -0.083 4.658 4.740 0.001 0.000 0.183 169 N C 0.751 176.241 175.510 -0.033 0.000 1.041 169 N CA 0.869 53.906 53.050 -0.022 0.000 0.900 169 N CB -0.377 38.105 38.487 -0.009 0.000 0.961 169 N HN 0.476 8.856 8.380 -0.000 0.000 0.443 170 N N -0.395 118.288 118.700 -0.029 0.000 2.205 170 N HA 0.080 4.821 4.740 0.001 0.000 0.201 170 N C 0.496 175.797 175.510 -0.347 0.000 1.128 170 N CA 0.388 53.396 53.050 -0.071 0.000 0.867 170 N CB 1.088 39.649 38.487 0.122 0.000 0.996 170 N HN 0.181 8.561 8.380 -0.000 0.000 0.503 171 G N 0.942 109.562 108.800 -0.300 0.000 2.137 171 G HA2 -0.263 3.697 3.960 0.001 0.000 0.237 171 G HA3 -0.263 3.697 3.960 0.001 0.000 0.237 171 G C -0.551 174.017 174.900 -0.553 0.000 1.002 171 G CA 0.002 44.856 45.100 -0.410 0.000 0.702 171 G HN 0.374 8.664 8.290 -0.000 0.000 0.515 172 Y N -0.592 119.707 120.300 -0.002 0.000 2.536 172 Y HA 0.703 5.253 4.550 0.001 0.000 0.347 172 Y C 0.288 176.187 175.900 -0.002 0.000 1.000 172 Y CA -1.124 56.977 58.100 0.002 0.000 1.051 172 Y CB 1.875 40.339 38.460 0.006 0.000 1.259 172 Y HN 0.106 8.386 8.280 -0.000 0.000 0.468 173 D N 0.065 120.575 120.400 0.183 0.000 2.621 173 D HA 0.720 5.361 4.640 0.001 0.000 0.255 173 D C -1.015 175.338 176.300 0.088 0.000 1.122 173 D CA -0.222 53.838 54.000 0.101 0.000 1.096 173 D CB 2.004 42.845 40.800 0.068 0.000 1.282 173 D HN 0.738 9.108 8.370 -0.000 0.000 0.619 174 C N -1.703 117.630 119.300 0.055 0.000 3.314 174 C HA 0.695 5.156 4.460 0.001 0.000 0.344 174 C C -0.527 174.481 174.990 0.030 0.000 1.461 174 C CA -0.812 58.224 59.018 0.030 0.000 1.249 174 C CB 0.698 28.441 27.740 0.006 0.000 1.632 174 C HN 0.610 8.840 8.230 -0.000 0.000 0.452 175 E N 0.657 120.864 120.200 0.011 0.000 2.254 175 E HA 0.511 4.862 4.350 0.001 0.000 0.261 175 E C -0.600 175.989 176.600 -0.018 0.000 1.051 175 E CA -0.647 55.765 56.400 0.021 0.000 0.902 175 E CB 0.853 30.567 29.700 0.024 0.000 1.168 175 E HN 0.418 8.778 8.360 -0.000 0.000 0.423 176 K N 1.597 121.998 120.400 0.002 0.000 2.123 176 K HA 0.240 4.560 4.320 0.001 0.000 0.259 176 K C -0.767 175.758 176.600 -0.126 0.000 0.960 176 K CA -0.474 55.728 56.287 -0.142 0.000 0.872 176 K CB 1.681 34.070 32.500 -0.185 0.000 1.079 176 K HN 0.450 8.700 8.250 -0.000 0.000 0.440 177 Q N 2.426 122.060 119.800 -0.277 0.000 2.333 177 Q HA 0.365 4.705 4.340 0.001 0.000 0.265 177 Q C -1.414 174.521 176.000 -0.107 0.000 0.989 177 Q CA -0.506 55.250 55.803 -0.079 0.000 0.842 177 Q CB 0.688 29.357 28.738 -0.115 0.000 1.262 177 Q HN 0.349 8.619 8.270 -0.000 0.000 0.451 178 F N 2.748 122.824 119.950 0.210 0.000 2.415 178 F HA 0.468 4.995 4.527 0.000 0.000 0.348 178 F C -0.107 175.740 175.800 0.078 0.000 1.119 178 F CA -0.731 57.325 58.000 0.092 0.000 1.069 178 F CB 1.703 40.671 39.000 -0.054 0.000 1.124 178 F HN 0.287 8.587 8.300 -0.000 0.000 0.472 179 V N 5.593 125.590 119.914 0.137 0.000 2.555 179 V HA 0.572 4.692 4.120 0.001 0.000 0.302 179 V C -1.503 174.575 176.094 -0.026 0.000 1.038 179 V CA -0.690 61.701 62.300 0.151 0.000 0.887 179 V CB 1.427 33.301 31.823 0.086 0.000 0.991 179 V HN 0.636 8.826 8.190 -0.000 0.000 0.434 180 Y N 4.410 124.893 120.300 0.306 0.000 2.536 180 Y HA 0.952 5.503 4.550 0.001 0.000 0.347 180 Y C 0.669 176.705 175.900 0.227 0.000 1.000 180 Y CA 0.232 58.501 58.100 0.281 0.000 1.051 180 Y CB 2.542 41.129 38.460 0.212 0.000 1.259 180 Y HN 1.031 9.311 8.280 -0.000 0.000 0.468 181 G N 1.074 110.107 108.800 0.390 0.000 2.368 181 G HA2 -0.016 3.945 3.960 0.001 0.000 0.269 181 G HA3 -0.016 3.945 3.960 0.001 0.000 0.269 181 G C -1.803 173.301 174.900 0.341 0.000 1.291 181 G CA -1.212 44.069 45.100 0.302 0.000 0.903 181 G HN 0.501 8.791 8.290 -0.000 0.000 0.483 182 N N 1.040 119.894 118.700 0.258 0.000 2.868 182 N HA 0.434 5.175 4.740 0.001 0.000 0.252 182 N C -0.056 175.575 175.510 0.201 0.000 1.130 182 N CA -0.173 53.027 53.050 0.250 0.000 1.026 182 N CB -0.537 38.005 38.487 0.092 0.000 1.335 182 N HN 0.488 8.868 8.380 -0.000 0.000 0.516 183 L N 1.921 123.309 121.223 0.274 0.000 2.334 183 L HA 0.508 4.848 4.340 0.001 0.000 0.277 183 L C 0.373 177.246 176.870 0.005 0.000 1.075 183 L CA -0.610 54.318 54.840 0.147 0.000 0.804 183 L CB 1.151 43.351 42.059 0.234 0.000 1.174 183 L HN 0.204 8.434 8.230 -0.000 0.000 0.438 184 K N 2.052 122.370 120.400 -0.137 0.000 2.501 184 K HA 0.810 5.130 4.320 0.001 0.000 0.252 184 K C -1.339 175.024 176.600 -0.395 0.000 0.934 184 K CA -0.616 55.490 56.287 -0.300 0.000 0.797 184 K CB 2.666 35.052 32.500 -0.190 0.000 1.270 184 K HN 0.687 8.937 8.250 -0.000 0.000 0.431 185 A N 1.031 123.481 122.820 -0.618 0.000 2.498 185 A HA 0.705 5.025 4.320 0.001 0.000 0.298 185 A C -1.183 176.145 177.584 -0.426 0.000 1.075 185 A CA -0.667 51.047 52.037 -0.538 0.000 0.714 185 A CB 2.003 20.543 19.000 -0.767 0.000 1.299 185 A HN 0.478 8.628 8.150 -0.000 0.000 0.407 186 S N -0.466 115.059 115.700 -0.292 0.000 2.503 186 S HA 0.512 4.982 4.470 0.001 0.000 0.301 186 S C 1.122 175.610 174.600 -0.186 0.000 1.087 186 S CA 0.285 58.353 58.200 -0.220 0.000 1.042 186 S CB 1.161 64.261 63.200 -0.166 0.000 1.043 186 S HN 1.381 9.691 8.310 -0.000 0.000 0.489 187 T N 1.185 115.652 114.554 -0.146 0.000 3.088 187 T HA 0.341 4.691 4.350 0.001 0.000 0.259 187 T C 1.431 176.080 174.700 -0.086 0.000 1.122 187 T CA 0.952 62.992 62.100 -0.100 0.000 1.095 187 T CB -0.190 68.639 68.868 -0.065 0.000 0.930 187 T HN 1.572 9.812 8.240 -0.000 0.000 0.508 188 G N 0.664 109.409 108.800 -0.091 0.000 2.278 188 G HA2 -0.273 3.687 3.960 0.001 0.000 0.210 188 G HA3 -0.273 3.687 3.960 0.001 0.000 0.210 188 G C 1.066 175.931 174.900 -0.057 0.000 1.000 188 G CA 0.734 45.792 45.100 -0.071 0.000 0.635 188 G HN 1.063 9.353 8.290 -0.000 0.000 0.495 189 T N -2.742 111.778 114.554 -0.057 0.000 2.980 189 T HA 0.455 4.806 4.350 0.001 0.000 0.252 189 T C 1.065 175.731 174.700 -0.056 0.000 0.962 189 T CA 1.583 63.655 62.100 -0.047 0.000 0.932 189 T CB 0.122 68.971 68.868 -0.031 0.000 1.188 189 T HN 1.823 10.063 8.240 -0.000 0.000 0.500 190 c N 0.184 118.740 118.600 -0.073 0.000 3.241 190 c HA 0.895 5.465 4.570 0.001 0.000 0.312 190 c C -0.366 173.646 174.090 -0.130 0.000 1.350 190 c CA -1.438 54.838 56.329 -0.087 0.000 1.415 190 c CB 1.112 43.580 42.510 -0.071 0.000 1.770 190 c HN 0.498 8.728 8.230 -0.000 0.000 0.466 191 c N 1.576 120.086 118.600 -0.149 0.000 2.454 191 c HA 0.942 5.513 4.570 0.001 0.000 0.336 191 c C 0.314 174.247 174.090 -0.263 0.000 1.189 191 c CA -0.240 55.959 56.329 -0.216 0.000 1.877 191 c CB 1.170 43.565 42.510 -0.192 0.000 2.348 191 c HN 1.052 9.282 8.230 -0.000 0.000 0.508 192 V N -0.085 119.580 119.914 -0.414 0.000 2.914 192 V HA 0.983 5.103 4.120 0.001 0.000 0.314 192 V C -0.232 175.497 176.094 -0.609 0.000 1.084 192 V CA -0.634 61.372 62.300 -0.490 0.000 0.963 192 V CB 1.444 32.901 31.823 -0.610 0.000 1.025 192 V HN 1.142 9.332 8.190 -0.000 0.000 0.432 193 A N 3.171 125.751 122.820 -0.400 0.000 2.330 193 A HA 0.889 5.209 4.320 0.001 0.000 0.327 193 A C -1.200 176.320 177.584 -0.106 0.000 1.155 193 A CA -0.477 51.441 52.037 -0.198 0.000 0.803 193 A CB 0.908 19.951 19.000 0.072 0.000 1.208 193 A HN 0.856 9.006 8.150 -0.000 0.000 0.477 194 W N 0.614 121.914 121.300 0.000 0.000 2.936 194 W HA 0.389 5.050 4.660 0.000 0.000 0.338 194 W C 0.927 177.262 176.519 -0.305 0.000 1.121 194 W CA -0.686 56.534 57.345 -0.208 0.000 1.209 194 W CB 1.847 31.186 29.460 -0.202 0.000 1.420 194 W HN 0.856 9.036 8.180 -0.000 0.000 0.516 195 S N 0.450 115.907 115.700 -0.405 0.000 2.478 195 S HA 0.052 4.523 4.470 0.001 0.000 0.222 195 S C -0.044 174.722 174.600 0.277 0.000 1.008 195 S CA 0.914 58.955 58.200 -0.266 0.000 0.928 195 S CB -0.079 62.869 63.200 -0.419 0.000 0.781 195 S HN 0.460 8.770 8.310 -0.000 0.000 0.518 196 Y N -0.888 119.459 120.300 0.078 0.000 2.689 196 Y HA 0.769 5.319 4.550 0.000 0.000 0.333 196 Y C -1.196 174.707 175.900 0.005 0.000 1.208 196 Y CA -1.599 56.529 58.100 0.046 0.000 1.055 196 Y CB 0.405 38.856 38.460 -0.016 0.000 1.304 196 Y HN 0.126 8.406 8.280 -0.000 0.000 0.455 197 H N 0.465 119.313 119.070 -0.369 0.000 3.016 197 H HA 0.803 5.360 4.556 0.000 0.000 0.362 197 H C -1.997 173.277 175.328 -0.089 0.000 1.233 197 H CA -0.783 54.902 56.048 -0.606 0.000 1.124 197 H CB 2.262 31.671 29.762 -0.589 0.000 1.850 197 H HN 0.918 9.198 8.280 -0.000 0.000 0.549 198 V N 2.189 121.763 119.914 -0.567 0.000 2.971 198 V HA 0.939 5.059 4.120 0.001 0.000 0.309 198 V C -1.399 174.419 176.094 -0.461 0.000 1.130 198 V CA 0.339 62.416 62.300 -0.371 0.000 0.964 198 V CB 1.476 32.979 31.823 -0.533 0.000 1.029 198 V HN 1.194 9.384 8.190 -0.000 0.000 0.427 199 A N 4.979 127.496 122.820 -0.504 0.000 2.568 199 A HA 0.856 5.177 4.320 0.001 0.000 0.291 199 A C -0.844 176.458 177.584 -0.469 0.000 1.159 199 A CA -0.398 51.353 52.037 -0.476 0.000 0.679 199 A CB 1.377 20.015 19.000 -0.603 0.000 1.285 199 A HN 1.709 9.859 8.150 -0.000 0.000 0.428 200 I N -1.138 119.240 120.570 -0.320 0.000 2.428 200 I HA 0.692 4.863 4.170 0.001 0.000 0.289 200 I C -0.716 175.229 176.117 -0.286 0.000 1.019 200 I CA -0.546 60.616 61.300 -0.231 0.000 1.351 200 I CB 1.037 38.974 38.000 -0.105 0.000 1.412 200 I HN 0.450 8.660 8.210 -0.000 0.000 0.513 201 L N 7.692 128.782 121.223 -0.221 0.000 2.295 201 L HA 0.510 4.850 4.340 0.001 0.000 0.281 201 L C -0.682 176.132 176.870 -0.093 0.000 1.018 201 L CA -0.325 54.400 54.840 -0.192 0.000 0.841 201 L CB 1.288 43.246 42.059 -0.169 0.000 1.218 201 L HN 0.542 8.772 8.230 -0.000 0.000 0.424 202 V N 3.878 123.747 119.914 -0.075 0.000 2.394 202 V HA 0.495 4.615 4.120 0.001 0.000 0.282 202 V C 0.428 176.553 176.094 0.052 0.000 1.031 202 V CA -0.463 61.820 62.300 -0.027 0.000 0.881 202 V CB 1.431 33.219 31.823 -0.057 0.000 0.982 202 V HN 0.820 9.010 8.190 -0.000 0.000 0.451 203 S N 4.530 120.257 115.700 0.045 0.000 2.525 203 S HA 0.737 5.207 4.470 0.001 0.000 0.278 203 S C -0.781 173.885 174.600 0.110 0.000 1.234 203 S CA -0.380 57.853 58.200 0.056 0.000 1.058 203 S CB 0.620 63.821 63.200 0.001 0.000 0.983 203 S HN 0.749 9.059 8.310 -0.000 0.000 0.495 204 Y N 0.118 120.365 120.300 -0.087 0.000 2.597 204 Y HA 0.627 5.177 4.550 0.001 0.000 0.340 204 Y C -1.143 174.717 175.900 -0.066 0.000 1.097 204 Y CA -1.514 56.527 58.100 -0.098 0.000 1.037 204 Y CB 0.623 39.012 38.460 -0.118 0.000 1.305 204 Y HN 0.167 8.447 8.280 -0.000 0.000 0.463 205 K N 3.371 123.713 120.400 -0.097 0.000 2.276 205 K HA 0.186 4.507 4.320 0.001 0.000 0.285 205 K C -0.284 176.251 176.600 -0.108 0.000 1.062 205 K CA -0.283 55.913 56.287 -0.152 0.000 0.918 205 K CB 0.670 33.144 32.500 -0.043 0.000 1.055 205 K HN 0.995 9.245 8.250 -0.000 0.000 0.477 206 N N 1.059 119.627 118.700 -0.219 0.000 2.374 206 N HA 0.064 4.804 4.740 0.001 0.000 0.284 206 N C 0.846 176.354 175.510 -0.003 0.000 1.280 206 N CA 0.051 53.063 53.050 -0.064 0.000 0.963 206 N CB -0.038 38.382 38.487 -0.112 0.000 1.141 206 N HN 0.321 8.701 8.380 -0.000 0.000 0.565 207 A N -1.060 121.771 122.820 0.018 0.000 2.125 207 A HA -0.046 4.274 4.320 0.001 0.000 0.219 207 A C 1.475 179.057 177.584 -0.003 0.000 1.156 207 A CA 1.290 53.335 52.037 0.014 0.000 0.671 207 A CB -0.793 18.216 19.000 0.015 0.000 0.794 207 A HN 0.637 8.787 8.150 -0.000 0.000 0.459 208 S N -1.752 113.938 115.700 -0.017 0.000 2.557 208 S HA 0.403 4.874 4.470 0.001 0.000 0.223 208 S C 1.259 175.842 174.600 -0.028 0.000 0.969 208 S CA 0.504 58.692 58.200 -0.020 0.000 0.927 208 S CB 0.337 63.523 63.200 -0.023 0.000 0.806 208 S HN 1.542 9.852 8.310 -0.000 0.000 0.489 209 G N 1.357 110.137 108.800 -0.035 0.000 2.148 209 G HA2 -0.249 3.711 3.960 0.001 0.000 0.254 209 G HA3 -0.249 3.711 3.960 0.001 0.000 0.254 209 G C 0.072 174.935 174.900 -0.062 0.000 0.981 209 G CA 0.125 45.201 45.100 -0.039 0.000 0.670 209 G HN 0.438 8.728 8.290 -0.000 0.000 0.528 210 V N 1.391 121.254 119.914 -0.084 0.000 2.465 210 V HA 0.492 4.613 4.120 0.001 0.000 0.279 210 V C 1.078 177.066 176.094 -0.176 0.000 1.045 210 V CA 0.018 62.256 62.300 -0.103 0.000 0.938 210 V CB 1.517 33.287 31.823 -0.089 0.000 0.986 210 V HN 0.297 8.487 8.190 -0.000 0.000 0.467 211 T N 5.749 120.206 114.554 -0.162 0.000 2.834 211 T HA 0.258 4.608 4.350 0.001 0.000 0.298 211 T C -0.009 174.523 174.700 -0.278 0.000 0.966 211 T CA 0.101 62.066 62.100 -0.224 0.000 1.141 211 T CB 0.188 68.977 68.868 -0.132 0.000 0.905 211 T HN 0.753 8.993 8.240 -0.000 0.000 0.535 212 E N 1.927 121.825 120.200 -0.502 0.000 2.355 212 E HA 0.545 4.895 4.350 0.001 0.000 0.261 212 E C -0.583 175.862 176.600 -0.259 0.000 0.943 212 E CA -1.094 55.070 56.400 -0.394 0.000 0.806 212 E CB 1.907 31.339 29.700 -0.448 0.000 1.286 212 E HN 0.420 8.780 8.360 -0.000 0.000 0.424 213 K N 1.121 121.500 120.400 -0.034 0.000 2.375 213 K HA 0.557 4.878 4.320 0.001 0.000 0.249 213 K C -0.745 175.918 176.600 0.105 0.000 0.942 213 K CA -1.012 55.316 56.287 0.070 0.000 0.806 213 K CB 1.895 34.395 32.500 0.001 0.000 1.227 213 K HN 0.173 8.423 8.250 -0.000 0.000 0.430 214 R N 1.605 122.145 120.500 0.067 0.000 2.725 214 R HA 0.467 4.808 4.340 0.001 0.000 0.277 214 R C -0.502 175.700 176.300 -0.163 0.000 0.987 214 R CA -0.930 55.132 56.100 -0.064 0.000 0.901 214 R CB 1.326 31.557 30.300 -0.114 0.000 1.207 214 R HN 0.557 8.827 8.270 -0.000 0.000 0.463 215 I N 3.240 123.656 120.570 -0.258 0.000 2.519 215 I HA 0.303 4.473 4.170 0.001 0.000 0.287 215 I C 0.600 176.549 176.117 -0.279 0.000 1.047 215 I CA -0.371 60.689 61.300 -0.399 0.000 1.381 215 I CB 0.775 38.365 38.000 -0.684 0.000 1.417 215 I HN 0.416 8.626 8.210 -0.000 0.000 0.540 216 I N 5.245 125.682 120.570 -0.222 0.000 2.362 216 I HA 0.236 4.406 4.170 0.001 0.000 0.289 216 I C -0.621 175.461 176.117 -0.058 0.000 0.994 216 I CA -0.144 61.129 61.300 -0.045 0.000 1.158 216 I CB 1.458 39.483 38.000 0.041 0.000 1.315 216 I HN 0.438 8.648 8.210 -0.000 0.000 0.451 217 D N 8.623 129.064 120.400 0.068 0.000 2.445 217 D HA 0.248 4.888 4.640 0.001 0.000 0.236 217 D C -2.285 174.098 176.300 0.138 0.000 1.315 217 D CA -1.483 52.603 54.000 0.144 0.000 0.924 217 D CB 1.749 42.745 40.800 0.327 0.000 1.447 217 D HN 0.073 8.443 8.370 -0.000 0.000 0.532 218 P HA -0.053 4.367 4.420 -0.000 0.000 0.234 218 P C 1.252 178.434 177.300 -0.197 0.000 1.167 218 P CA 0.677 63.506 63.100 -0.451 0.000 0.763 218 P CB 0.233 31.115 31.700 -1.364 0.000 0.835 219 S N -1.679 114.085 115.700 0.107 0.000 2.489 219 S HA 0.011 4.481 4.470 0.001 0.000 0.228 219 S C 1.474 176.189 174.600 0.191 0.000 0.995 219 S CA 0.813 59.188 58.200 0.291 0.000 0.934 219 S CB -0.881 62.589 63.200 0.451 0.000 0.771 219 S HN 0.138 8.448 8.310 -0.000 0.000 0.522 220 L N -1.799 119.542 121.223 0.196 0.000 2.803 220 L HA 0.512 4.852 4.340 0.001 0.000 0.246 220 L C -0.708 175.943 176.870 -0.365 0.000 1.100 220 L CA 0.044 54.867 54.840 -0.029 0.000 0.919 220 L CB 0.567 42.693 42.059 0.110 0.000 1.285 220 L HN 0.180 8.410 8.230 -0.000 0.000 0.522 221 F N -0.221 119.810 119.950 0.136 0.000 2.716 221 F HA 0.180 4.707 4.527 0.001 0.000 0.354 221 F C 1.122 176.987 175.800 0.109 0.000 1.168 221 F CA -0.601 57.459 58.000 0.101 0.000 1.045 221 F CB 1.596 40.657 39.000 0.102 0.000 1.311 221 F HN -0.164 8.136 8.300 -0.000 0.000 0.477 222 S N -0.608 115.208 115.700 0.194 0.000 2.496 222 S HA -0.105 4.365 4.470 0.001 0.000 0.224 222 S C 1.933 176.713 174.600 0.300 0.000 0.996 222 S CA 0.892 59.208 58.200 0.194 0.000 0.927 222 S CB -0.151 63.102 63.200 0.089 0.000 0.774 222 S HN 0.572 8.882 8.310 -0.000 0.000 0.524 223 S N 0.649 116.449 115.700 0.167 0.000 2.458 223 S HA 0.536 5.006 4.470 0.001 0.000 0.223 223 S C 0.934 175.326 174.600 -0.347 0.000 1.019 223 S CA 0.387 58.599 58.200 0.020 0.000 0.937 223 S CB -0.140 63.060 63.200 -0.000 0.000 0.788 223 S HN 1.054 9.364 8.310 -0.000 0.000 0.511 224 G N 0.271 108.650 108.800 -0.701 0.000 2.320 224 G HA2 0.455 4.415 3.960 0.001 0.000 0.296 224 G HA3 0.455 4.415 3.960 0.001 0.000 0.296 224 G C -3.579 170.759 174.900 -0.937 0.000 1.306 224 G CA -0.960 43.217 45.100 -1.537 0.000 0.836 224 G HN 0.083 8.373 8.290 -0.000 0.000 0.517 225 P HA 0.417 4.837 4.420 -0.000 0.000 0.269 225 P C 0.042 177.140 177.300 -0.335 0.000 1.209 225 P CA -0.115 62.768 63.100 -0.362 0.000 0.776 225 P CB 1.230 32.733 31.700 -0.328 0.000 0.876 226 V N -1.173 118.544 119.914 -0.329 0.000 3.130 226 V HA 0.730 4.850 4.120 0.001 0.000 0.310 226 V C -0.028 175.907 176.094 -0.264 0.000 1.158 226 V CA -1.007 61.069 62.300 -0.373 0.000 1.029 226 V CB 1.288 32.661 31.823 -0.751 0.000 1.057 226 V HN 0.612 8.802 8.190 -0.000 0.000 0.436 227 T N -0.646 113.791 114.554 -0.196 0.000 2.900 227 T HA 0.155 4.505 4.350 0.001 0.000 0.307 227 T C 0.806 175.458 174.700 -0.080 0.000 1.065 227 T CA 0.559 62.594 62.100 -0.107 0.000 1.105 227 T CB 0.700 69.533 68.868 -0.058 0.000 0.979 227 T HN 1.034 9.274 8.240 -0.000 0.000 0.544 228 D N 1.306 121.675 120.400 -0.052 0.000 2.219 228 D HA -0.109 4.532 4.640 0.001 0.000 0.205 228 D C 1.712 178.074 176.300 0.104 0.000 0.970 228 D CA 1.164 55.178 54.000 0.023 0.000 0.851 228 D CB -1.213 39.535 40.800 -0.087 0.000 0.943 228 D HN 0.596 8.966 8.370 -0.000 0.000 0.488 229 T N 0.586 115.161 114.554 0.034 0.000 2.684 229 T HA -0.081 4.270 4.350 0.001 0.000 0.267 229 T C 2.141 176.888 174.700 0.077 0.000 1.036 229 T CA 2.120 64.250 62.100 0.051 0.000 1.148 229 T CB -0.548 68.342 68.868 0.037 0.000 0.863 229 T HN 0.405 8.645 8.240 -0.000 0.000 0.436 230 A N 0.308 123.157 122.820 0.048 0.000 1.933 230 A HA -0.104 4.217 4.320 0.001 0.000 0.218 230 A C 2.054 179.753 177.584 0.192 0.000 1.175 230 A CA 1.590 53.668 52.037 0.067 0.000 0.628 230 A CB -1.103 17.859 19.000 -0.065 0.000 0.814 230 A HN 0.716 8.866 8.150 -0.000 0.000 0.444 231 W N 0.812 122.074 121.300 -0.062 0.000 2.355 231 W HA -0.151 4.509 4.660 0.000 0.000 0.309 231 W C 2.313 178.952 176.519 0.200 0.000 1.206 231 W CA 1.905 59.324 57.345 0.124 0.000 1.284 231 W CB -0.212 29.244 29.460 -0.007 0.000 1.145 231 W HN 0.227 8.407 8.180 -0.000 0.000 0.502 232 R N 0.116 120.664 120.500 0.081 0.000 2.096 232 R HA -0.202 4.139 4.340 0.001 0.000 0.235 232 R C 2.218 178.487 176.300 -0.052 0.000 1.127 232 R CA 1.477 57.502 56.100 -0.125 0.000 0.968 232 R CB -1.140 29.162 30.300 0.003 0.000 0.861 232 R HN 0.406 8.676 8.270 -0.000 0.000 0.440 233 N N 1.079 119.804 118.700 0.041 0.000 2.166 233 N HA -0.158 4.582 4.740 0.001 0.000 0.186 233 N C 1.578 177.106 175.510 0.029 0.000 1.019 233 N CA 1.327 54.406 53.050 0.049 0.000 0.856 233 N CB 0.036 38.572 38.487 0.082 0.000 0.993 233 N HN 0.199 8.579 8.380 -0.000 0.000 0.426 234 A N 0.126 122.990 122.820 0.072 0.000 2.121 234 A HA -0.064 4.257 4.320 0.001 0.000 0.218 234 A C 2.242 179.765 177.584 -0.103 0.000 1.154 234 A CA 0.747 52.785 52.037 0.001 0.000 0.679 234 A CB -0.539 18.497 19.000 0.060 0.000 0.795 234 A HN 0.583 8.733 8.150 -0.000 0.000 0.458 235 C N -0.747 118.479 119.300 -0.124 0.000 2.626 235 C HA 0.276 4.737 4.460 0.001 0.000 0.266 235 C C 1.168 176.111 174.990 -0.078 0.000 1.317 235 C CA 0.453 59.403 59.018 -0.115 0.000 1.716 235 C CB -1.317 26.345 27.740 -0.130 0.000 1.819 235 C HN 0.572 8.802 8.230 -0.000 0.000 0.578 236 V N -0.936 118.940 119.914 -0.064 0.000 2.562 236 V HA 0.372 4.493 4.120 0.001 0.000 0.274 236 V C -0.423 175.639 176.094 -0.053 0.000 1.075 236 V CA -0.301 61.974 62.300 -0.040 0.000 1.204 236 V CB -0.496 31.327 31.823 -0.001 0.000 1.478 236 V HN 0.323 8.513 8.190 -0.000 0.000 0.622 237 N N 2.559 121.203 118.700 -0.093 0.000 2.415 237 N HA 0.110 4.851 4.740 0.001 0.000 0.250 237 N C 1.393 176.853 175.510 -0.083 0.000 1.127 237 N CA 0.776 53.770 53.050 -0.093 0.000 0.945 237 N CB 1.751 40.158 38.487 -0.133 0.000 1.196 237 N HN 0.783 9.163 8.380 -0.000 0.000 0.499 238 T N -0.987 113.533 114.554 -0.056 0.000 3.118 238 T HA -0.109 4.241 4.350 0.001 0.000 0.260 238 T C 1.768 176.436 174.700 -0.054 0.000 1.139 238 T CA 0.787 62.858 62.100 -0.049 0.000 1.085 238 T CB -0.197 68.652 68.868 -0.031 0.000 0.934 238 T HN 0.397 8.637 8.240 -0.000 0.000 0.518 239 S N 0.265 115.929 115.700 -0.060 0.000 2.474 239 S HA -0.066 4.404 4.470 0.001 0.000 0.235 239 S C 1.853 176.410 174.600 -0.072 0.000 0.997 239 S CA 0.414 58.578 58.200 -0.060 0.000 0.949 239 S CB -1.124 62.040 63.200 -0.061 0.000 0.766 239 S HN 0.677 8.987 8.310 -0.000 0.000 0.517 240 c N 1.144 119.691 118.600 -0.089 0.000 2.696 240 c HA 0.682 5.252 4.570 0.001 0.000 0.264 240 c C 1.582 175.618 174.090 -0.090 0.000 1.288 240 c CA -0.151 56.116 56.329 -0.104 0.000 1.717 240 c CB -1.347 41.075 42.510 -0.146 0.000 1.893 240 c HN 0.940 9.170 8.230 -0.000 0.000 0.577 241 G N 0.502 109.258 108.800 -0.075 0.000 2.346 241 G HA2 0.230 4.191 3.960 0.001 0.000 0.294 241 G HA3 0.230 4.191 3.960 0.001 0.000 0.294 241 G C -0.543 174.323 174.900 -0.057 0.000 1.294 241 G CA -0.189 44.872 45.100 -0.066 0.000 0.962 241 G HN 0.545 8.835 8.290 -0.000 0.000 0.508 242 S N -0.564 115.105 115.700 -0.052 0.000 2.576 242 S HA 0.842 5.313 4.470 0.001 0.000 0.276 242 S C 0.307 174.886 174.600 -0.034 0.000 1.339 242 S CA 0.926 59.103 58.200 -0.039 0.000 1.039 242 S CB 1.553 64.730 63.200 -0.038 0.000 0.902 242 S HN 2.483 10.793 8.310 -0.000 0.000 0.516 243 A N 1.406 124.215 122.820 -0.017 0.000 2.594 243 A HA 0.792 5.112 4.320 0.001 0.000 0.296 243 A C -0.491 177.106 177.584 0.021 0.000 1.061 243 A CA -0.406 51.632 52.037 0.001 0.000 0.689 243 A CB 1.100 20.089 19.000 -0.019 0.000 1.280 243 A HN 2.094 10.244 8.150 -0.000 0.000 0.406 244 S N -0.331 115.399 115.700 0.050 0.000 2.552 244 S HA 0.637 5.108 4.470 0.001 0.000 0.272 244 S C -1.155 173.506 174.600 0.101 0.000 1.150 244 S CA -0.682 57.556 58.200 0.064 0.000 0.849 244 S CB 0.901 64.135 63.200 0.056 0.000 1.113 244 S HN 1.448 9.758 8.310 -0.000 0.000 0.458 245 V N 2.669 122.649 119.914 0.110 0.000 2.498 245 V HA 0.392 4.512 4.120 0.001 0.000 0.279 245 V C 0.873 177.061 176.094 0.157 0.000 1.048 245 V CA -0.127 62.266 62.300 0.154 0.000 0.967 245 V CB 1.335 33.257 31.823 0.165 0.000 0.988 245 V HN 1.081 9.271 8.190 -0.000 0.000 0.473 246 S N 2.188 118.002 115.700 0.190 0.000 2.483 246 S HA 0.155 4.626 4.470 0.001 0.000 0.221 246 S C 0.532 175.223 174.600 0.152 0.000 1.030 246 S CA 0.509 58.800 58.200 0.152 0.000 0.925 246 S CB 0.289 63.575 63.200 0.144 0.000 0.795 246 S HN 0.984 9.294 8.310 -0.000 0.000 0.511 247 S N 0.115 115.960 115.700 0.242 0.000 2.595 247 S HA 0.634 5.105 4.470 0.001 0.000 0.270 247 S C -1.409 173.461 174.600 0.449 0.000 1.145 247 S CA -1.114 57.227 58.200 0.234 0.000 0.825 247 S CB 1.071 64.336 63.200 0.108 0.000 1.107 247 S HN 0.458 8.768 8.310 -0.000 0.000 0.461 248 Y N -0.691 119.790 120.300 0.302 0.000 2.588 248 Y HA 0.932 5.482 4.550 0.001 0.000 0.343 248 Y C -1.068 175.025 175.900 0.322 0.000 1.065 248 Y CA -0.949 57.372 58.100 0.369 0.000 1.038 248 Y CB 1.231 39.867 38.460 0.293 0.000 1.297 248 Y HN 1.306 9.586 8.280 -0.000 0.000 0.467 249 A N 2.855 126.039 122.820 0.608 0.000 2.488 249 A HA 0.565 4.886 4.320 0.001 0.000 0.298 249 A C -1.837 176.053 177.584 0.510 0.000 1.044 249 A CA -1.063 51.219 52.037 0.409 0.000 0.693 249 A CB 1.166 20.342 19.000 0.293 0.000 1.272 249 A HN 0.746 8.896 8.150 -0.000 0.000 0.402 250 N N 1.495 120.432 118.700 0.394 0.000 2.498 250 N HA 0.649 5.389 4.740 0.001 0.000 0.287 250 N C 0.073 175.737 175.510 0.256 0.000 1.097 250 N CA 0.239 53.472 53.050 0.305 0.000 0.973 250 N CB 1.683 40.310 38.487 0.233 0.000 1.153 250 N HN 0.857 9.237 8.380 -0.000 0.000 0.472 251 T N -2.767 111.936 114.554 0.249 0.000 2.887 251 T HA 0.758 5.108 4.350 0.001 0.000 0.292 251 T C -0.131 174.644 174.700 0.124 0.000 1.087 251 T CA -1.028 61.185 62.100 0.190 0.000 1.009 251 T CB 1.276 70.304 68.868 0.266 0.000 1.203 251 T HN 0.462 8.702 8.240 -0.000 0.000 0.518 252 A N 0.378 123.236 122.820 0.063 0.000 2.555 252 A HA 0.487 4.807 4.320 0.001 0.000 0.233 252 A C 1.740 179.396 177.584 0.119 0.000 1.060 252 A CA 0.214 52.292 52.037 0.069 0.000 0.759 252 A CB -0.787 18.238 19.000 0.042 0.000 0.995 252 A HN 1.425 9.575 8.150 -0.000 0.000 0.506 253 G N 1.299 110.164 108.800 0.109 0.000 2.450 253 G HA2 -0.279 3.681 3.960 0.001 0.000 0.220 253 G HA3 -0.279 3.681 3.960 0.001 0.000 0.220 253 G C 1.051 176.087 174.900 0.227 0.000 1.130 253 G CA 1.100 46.278 45.100 0.131 0.000 0.760 253 G HN 0.977 9.267 8.290 -0.000 0.000 0.557 254 N N 0.419 119.261 118.700 0.238 0.000 2.521 254 N HA -0.020 4.720 4.740 0.001 0.000 0.188 254 N C 0.415 176.235 175.510 0.517 0.000 1.146 254 N CA 0.034 53.310 53.050 0.377 0.000 0.893 254 N CB -0.357 38.299 38.487 0.280 0.000 0.975 254 N HN 0.117 8.497 8.380 -0.000 0.000 0.451 255 V N 2.259 122.370 119.914 0.327 0.000 2.470 255 V HA -0.031 4.089 4.120 0.001 0.000 0.276 255 V C 1.099 177.393 176.094 0.335 0.000 1.040 255 V CA -0.358 62.028 62.300 0.144 0.000 1.008 255 V CB 0.065 31.929 31.823 0.068 0.000 0.990 255 V HN 0.220 8.410 8.190 -0.000 0.000 0.477 256 Y N 5.410 125.710 120.300 0.000 0.000 2.206 256 Y HA 0.025 4.576 4.550 0.001 0.000 0.292 256 Y C 0.642 176.738 175.900 0.327 0.000 1.123 256 Y CA 0.752 58.819 58.100 -0.055 0.000 1.142 256 Y CB 0.470 38.839 38.460 -0.153 0.000 1.006 256 Y HN 0.580 8.860 8.280 -0.000 0.000 0.518 257 Y N 0.899 121.241 120.300 0.069 0.000 2.470 257 Y HA 0.427 4.977 4.550 0.001 0.000 0.341 257 Y C -1.256 174.393 175.900 -0.418 0.000 1.021 257 Y CA -1.641 56.378 58.100 -0.136 0.000 1.025 257 Y CB 0.966 39.284 38.460 -0.237 0.000 1.266 257 Y HN -0.134 8.146 8.280 -0.000 0.000 0.448 258 R N 4.462 123.847 120.500 -1.859 0.000 2.387 258 R HA 0.579 4.919 4.340 0.001 0.000 0.314 258 R C -0.662 174.681 176.300 -1.594 0.000 0.958 258 R CA -0.418 54.830 56.100 -1.421 0.000 0.846 258 R CB 1.159 30.750 30.300 -1.181 0.000 1.147 258 R HN 0.876 9.146 8.270 -0.000 0.000 0.447 259 S N 3.764 118.873 115.700 -0.986 0.000 2.614 259 S HA 0.283 4.753 4.470 0.001 0.000 0.265 259 S C -1.864 172.442 174.600 -0.491 0.000 1.303 259 S CA -1.120 56.762 58.200 -0.529 0.000 1.000 259 S CB 1.331 64.415 63.200 -0.194 0.000 0.935 259 S HN 0.516 8.826 8.310 -0.000 0.000 0.551 260 P HA 0.086 4.506 4.420 -0.000 0.000 0.228 260 P C 0.584 177.669 177.300 -0.358 0.000 1.151 260 P CA 0.713 63.488 63.100 -0.542 0.000 0.770 260 P CB -0.045 31.426 31.700 -0.380 0.000 0.786 261 S N -0.982 114.547 115.700 -0.286 0.000 2.605 261 S HA 0.072 4.543 4.470 0.001 0.000 0.217 261 S C 0.630 175.060 174.600 -0.283 0.000 0.958 261 S CA -0.066 57.994 58.200 -0.232 0.000 0.919 261 S CB -1.020 62.076 63.200 -0.174 0.000 0.780 261 S HN 0.138 8.448 8.310 -0.000 0.000 0.507 262 N N 1.368 119.845 118.700 -0.371 0.000 2.776 262 N HA -0.161 4.579 4.740 0.001 0.000 0.250 262 N C -0.882 174.146 175.510 -0.804 0.000 1.112 262 N CA 0.613 53.386 53.050 -0.462 0.000 0.733 262 N CB -1.744 36.583 38.487 -0.267 0.000 1.097 262 N HN 0.279 8.659 8.380 -0.000 0.000 0.558 263 S N 0.062 115.348 115.700 -0.691 0.000 2.616 263 S HA 0.589 5.059 4.470 0.001 0.000 0.277 263 S C -0.506 173.586 174.600 -0.847 0.000 1.234 263 S CA -0.332 57.433 58.200 -0.725 0.000 1.028 263 S CB 0.749 63.749 63.200 -0.334 0.000 0.988 263 S HN 0.260 8.570 8.310 -0.000 0.000 0.522 264 Y N 0.829 121.007 120.300 -0.203 0.000 2.429 264 Y HA 0.664 5.215 4.550 0.000 0.000 0.342 264 Y C -0.302 175.405 175.900 -0.322 0.000 1.004 264 Y CA -1.173 56.719 58.100 -0.347 0.000 1.075 264 Y CB 0.890 39.085 38.460 -0.441 0.000 1.214 264 Y HN 0.431 8.711 8.280 -0.000 0.000 0.455 265 L N 3.069 124.193 121.223 -0.166 0.000 2.329 265 L HA 0.628 4.968 4.340 0.001 0.000 0.279 265 L C -1.751 175.000 176.870 -0.199 0.000 1.014 265 L CA -0.907 53.867 54.840 -0.110 0.000 0.814 265 L CB 0.742 42.840 42.059 0.065 0.000 1.257 265 L HN 0.540 8.770 8.230 -0.000 0.000 0.424 266 Y N 1.982 122.322 120.300 0.066 0.000 2.528 266 Y HA 0.508 5.058 4.550 0.001 0.000 0.335 266 Y C -0.274 175.642 175.900 0.027 0.000 1.093 266 Y CA -0.565 57.589 58.100 0.090 0.000 1.134 266 Y CB 1.654 40.145 38.460 0.053 0.000 1.253 266 Y HN 0.596 8.876 8.280 -0.000 0.000 0.478 267 D N 1.208 121.689 120.400 0.136 0.000 2.849 267 D HA 0.083 4.724 4.640 0.001 0.000 0.314 267 D C -1.062 175.321 176.300 0.138 0.000 1.210 267 D CA -0.415 53.565 54.000 -0.033 0.000 0.756 267 D CB -0.197 40.054 40.800 -0.915 0.000 1.222 267 D HN 0.465 8.835 8.370 -0.000 0.000 0.521 268 N N 1.486 120.288 118.700 0.169 0.000 2.458 268 N HA 0.045 4.786 4.740 0.001 0.000 0.258 268 N C 0.664 176.217 175.510 0.071 0.000 1.219 268 N CA 1.020 54.140 53.050 0.117 0.000 0.902 268 N CB 0.267 38.791 38.487 0.063 0.000 1.076 268 N HN 0.416 8.796 8.380 -0.000 0.000 0.455 269 N N 1.983 120.710 118.700 0.044 0.000 2.909 269 N HA -0.207 4.533 4.740 0.001 0.000 0.242 269 N C -0.507 175.009 175.510 0.010 0.000 0.975 269 N CA 0.811 53.871 53.050 0.017 0.000 0.921 269 N CB -0.781 37.713 38.487 0.011 0.000 1.112 269 N HN 0.712 9.092 8.380 -0.000 0.000 0.581 270 L N -0.949 120.291 121.223 0.029 0.000 4.001 270 L HA -0.303 4.037 4.340 0.001 0.000 0.413 270 L C 1.427 178.270 176.870 -0.043 0.000 1.185 270 L CA 0.177 55.025 54.840 0.013 0.000 0.963 270 L CB -1.673 40.399 42.059 0.021 0.000 1.976 270 L HN 0.285 8.515 8.230 -0.000 0.000 0.939 271 I N 0.012 120.547 120.570 -0.058 0.000 2.127 271 I HA -0.263 3.907 4.170 0.001 0.000 0.241 271 I C 2.416 178.429 176.117 -0.173 0.000 1.075 271 I CA 2.194 63.439 61.300 -0.092 0.000 1.334 271 I CB -0.908 37.053 38.000 -0.065 0.000 1.040 271 I HN 0.571 8.781 8.210 -0.000 0.000 0.405 272 N N 0.370 118.893 118.700 -0.296 0.000 2.106 272 N HA -0.147 4.594 4.740 0.001 0.000 0.188 272 N C 1.740 177.187 175.510 -0.105 0.000 1.029 272 N CA 1.920 54.744 53.050 -0.376 0.000 0.848 272 N CB 0.167 38.193 38.487 -0.769 0.000 1.007 272 N HN 0.275 8.655 8.380 -0.000 0.000 0.423 273 T N 1.786 116.314 114.554 -0.043 0.000 2.607 273 T HA -0.125 4.225 4.350 0.001 0.000 0.267 273 T C 1.573 176.268 174.700 -0.007 0.000 1.049 273 T CA 1.342 63.502 62.100 0.100 0.000 1.162 273 T CB -0.376 68.578 68.868 0.143 0.000 0.863 273 T HN 0.310 8.550 8.240 -0.000 0.000 0.424 274 N N 0.341 119.017 118.700 -0.041 0.000 2.166 274 N HA -0.070 4.670 4.740 0.001 0.000 0.186 274 N C 2.111 177.565 175.510 -0.094 0.000 1.019 274 N CA 0.754 53.767 53.050 -0.062 0.000 0.856 274 N CB -0.902 37.553 38.487 -0.053 0.000 0.993 274 N HN 0.425 8.805 8.380 -0.000 0.000 0.426 275 c N 0.228 118.761 118.600 -0.112 0.000 2.446 275 c HA 0.035 4.605 4.570 0.001 0.000 0.277 275 c C 2.684 176.660 174.090 -0.190 0.000 1.275 275 c CA 0.399 56.647 56.329 -0.135 0.000 1.727 275 c CB -0.918 41.505 42.510 -0.146 0.000 2.010 275 c HN 0.186 8.416 8.230 -0.000 0.000 0.486 276 V N 1.042 120.827 119.914 -0.215 0.000 2.358 276 V HA -0.165 3.956 4.120 0.001 0.000 0.246 276 V C 2.440 178.235 176.094 -0.500 0.000 1.047 276 V CA 2.038 64.090 62.300 -0.413 0.000 1.035 276 V CB -0.613 31.028 31.823 -0.304 0.000 0.658 276 V HN 0.579 8.769 8.190 -0.000 0.000 0.452 277 L N -0.412 120.654 121.223 -0.261 0.000 2.046 277 L HA -0.179 4.161 4.340 0.001 0.000 0.208 277 L C 2.628 179.421 176.870 -0.129 0.000 1.077 277 L CA 1.906 56.645 54.840 -0.168 0.000 0.747 277 L CB -0.964 41.027 42.059 -0.113 0.000 0.896 277 L HN 0.349 8.579 8.230 -0.000 0.000 0.432 278 T N -0.694 113.781 114.554 -0.133 0.000 2.708 278 T HA -0.154 4.197 4.350 0.001 0.000 0.266 278 T C 1.948 176.598 174.700 -0.083 0.000 1.037 278 T CA 0.991 63.037 62.100 -0.090 0.000 1.146 278 T CB -0.061 68.757 68.868 -0.082 0.000 0.865 278 T HN 0.133 8.373 8.240 -0.000 0.000 0.435 279 K N 0.735 121.043 120.400 -0.153 0.000 2.152 279 K HA -0.011 4.309 4.320 0.001 0.000 0.206 279 K C 1.388 178.054 176.600 0.109 0.000 1.048 279 K CA 1.054 57.285 56.287 -0.094 0.000 0.933 279 K CB -0.382 31.988 32.500 -0.216 0.000 0.721 279 K HN 0.386 8.636 8.250 -0.000 0.000 0.447 280 F N 0.221 120.130 119.950 -0.068 0.000 2.693 280 F HA 0.191 4.719 4.527 0.001 0.000 0.303 280 F C 2.123 177.826 175.800 -0.162 0.000 1.097 280 F CA -0.742 57.169 58.000 -0.148 0.000 1.330 280 F CB -0.705 38.277 39.000 -0.029 0.000 1.067 280 F HN -0.107 8.193 8.300 -0.000 0.000 0.565 281 S N 0.370 116.104 115.700 0.058 0.000 2.383 281 S HA -0.118 4.352 4.470 0.001 0.000 0.229 281 S C 1.828 176.419 174.600 -0.015 0.000 1.030 281 S CA 1.241 59.447 58.200 0.010 0.000 1.002 281 S CB -0.136 63.058 63.200 -0.010 0.000 0.829 281 S HN 0.422 8.732 8.310 -0.000 0.000 0.467 282 L N 1.044 122.244 121.223 -0.037 0.000 2.592 282 L HA 0.346 4.686 4.340 0.001 0.000 0.227 282 L C -0.068 176.743 176.870 -0.098 0.000 1.127 282 L CA -0.148 54.662 54.840 -0.050 0.000 0.884 282 L CB -0.104 41.932 42.059 -0.039 0.000 1.065 282 L HN 0.219 8.449 8.230 -0.000 0.000 0.457 283 L N -0.117 120.988 121.223 -0.198 0.000 2.357 283 L HA 0.486 4.826 4.340 0.001 0.000 0.273 283 L C 0.180 176.944 176.870 -0.177 0.000 1.080 283 L CA -0.260 54.357 54.840 -0.372 0.000 0.803 283 L CB 1.580 43.013 42.059 -1.044 0.000 1.174 283 L HN 0.067 8.297 8.230 -0.000 0.000 0.443 284 S N 0.363 116.053 115.700 -0.017 0.000 2.537 284 S HA 0.854 5.325 4.470 0.001 0.000 0.271 284 S C -0.304 174.410 174.600 0.189 0.000 1.148 284 S CA -0.124 58.162 58.200 0.145 0.000 0.868 284 S CB 1.831 65.076 63.200 0.075 0.000 1.115 284 S HN 1.350 9.660 8.310 -0.000 0.000 0.461 285 G N 0.507 109.416 108.800 0.181 0.000 2.584 285 G HA2 -0.203 3.757 3.960 0.001 0.000 0.229 285 G HA3 -0.203 3.757 3.960 0.001 0.000 0.229 285 G C 0.510 175.453 174.900 0.072 0.000 1.320 285 G CA -0.203 44.954 45.100 0.095 0.000 0.891 285 G HN 1.705 9.995 8.290 -0.000 0.000 0.573 286 c N 1.454 120.060 118.600 0.009 0.000 2.673 286 c HA 0.640 5.210 4.570 0.001 0.000 0.274 286 c C 1.383 175.473 174.090 -0.001 0.000 1.276 286 c CA 0.553 56.852 56.329 -0.050 0.000 1.701 286 c CB -2.105 40.353 42.510 -0.087 0.000 1.836 286 c HN 1.206 9.436 8.230 -0.000 0.000 0.596 287 S N 0.328 116.076 115.700 0.081 0.000 2.569 287 S HA 0.664 5.135 4.470 0.001 0.000 0.280 287 S C -3.224 171.484 174.600 0.180 0.000 1.111 287 S CA -1.179 57.082 58.200 0.103 0.000 0.887 287 S CB 1.511 64.739 63.200 0.047 0.000 1.095 287 S HN 0.065 8.375 8.310 -0.000 0.000 0.476 288 P HA 0.296 4.716 4.420 -0.000 0.000 0.271 288 P C -0.733 176.640 177.300 0.121 0.000 1.216 288 P CA -0.094 63.068 63.100 0.102 0.000 0.776 288 P CB 1.021 32.760 31.700 0.066 0.000 0.881 289 S N 2.675 118.411 115.700 0.060 0.000 2.672 289 S HA 0.554 5.024 4.470 0.001 0.000 0.291 289 S C -2.660 171.959 174.600 0.032 0.000 1.145 289 S CA -1.360 56.858 58.200 0.028 0.000 1.013 289 S CB 0.273 63.462 63.200 -0.017 0.000 1.017 289 S HN 0.173 8.483 8.310 -0.000 0.000 0.487 290 P HA 0.352 4.772 4.420 -0.000 0.000 0.270 290 P C -0.462 176.907 177.300 0.115 0.000 1.223 290 P CA -0.378 62.761 63.100 0.065 0.000 0.785 290 P CB 0.318 32.093 31.700 0.124 0.000 0.923 291 A N 3.090 125.989 122.820 0.131 0.000 2.386 291 A HA 0.374 4.694 4.320 0.001 0.000 0.246 291 A C -2.007 175.711 177.584 0.223 0.000 1.089 291 A CA -0.862 51.260 52.037 0.142 0.000 0.790 291 A CB -1.427 17.589 19.000 0.026 0.000 1.042 291 A HN 0.432 8.582 8.150 -0.000 0.000 0.497 292 P HA 0.078 4.498 4.420 -0.000 0.000 0.268 292 P C -0.509 176.984 177.300 0.322 0.000 1.208 292 P CA -0.114 63.139 63.100 0.255 0.000 0.777 292 P CB 0.319 32.165 31.700 0.244 0.000 0.875 293 D N 1.030 121.559 120.400 0.215 0.000 2.488 293 D HA 0.007 4.647 4.640 0.001 0.000 0.238 293 D C 0.581 176.951 176.300 0.117 0.000 1.138 293 D CA 0.233 54.329 54.000 0.160 0.000 0.873 293 D CB 0.457 41.309 40.800 0.087 0.000 1.183 293 D HN 0.115 8.485 8.370 -0.000 0.000 0.458 294 V N 0.988 120.949 119.914 0.078 0.000 3.159 294 V HA 0.133 4.253 4.120 0.001 0.000 0.333 294 V C 1.548 177.602 176.094 -0.066 0.000 1.424 294 V CA 0.457 62.755 62.300 -0.004 0.000 1.125 294 V CB -0.340 31.480 31.823 -0.005 0.000 1.075 294 V HN 0.504 8.694 8.190 -0.000 0.000 0.482 295 S N 1.853 117.490 115.700 -0.105 0.000 2.399 295 S HA -0.225 4.246 4.470 0.001 0.000 0.231 295 S C 2.079 176.610 174.600 -0.115 0.000 1.022 295 S CA 1.841 59.946 58.200 -0.159 0.000 0.983 295 S CB -0.829 62.236 63.200 -0.226 0.000 0.803 295 S HN 1.132 9.442 8.310 -0.000 0.000 0.480 296 S N 0.629 116.276 115.700 -0.090 0.000 2.419 296 S HA -0.003 4.468 4.470 0.001 0.000 0.233 296 S C 0.995 175.538 174.600 -0.096 0.000 1.016 296 S CA 0.388 58.540 58.200 -0.079 0.000 0.974 296 S CB -1.469 61.695 63.200 -0.060 0.000 0.786 296 S HN 0.606 8.916 8.310 -0.000 0.000 0.492 297 c N 2.844 121.373 118.600 -0.119 0.000 2.648 297 c HA 0.659 5.229 4.570 0.001 0.000 0.415 297 c C 1.494 175.453 174.090 -0.219 0.000 1.366 297 c CA -0.464 55.764 56.329 -0.168 0.000 1.756 297 c CB -0.654 41.745 42.510 -0.185 0.000 2.549 297 c HN 0.676 8.906 8.230 -0.000 0.000 0.597 298 G N 1.678 110.342 108.800 -0.227 0.000 3.008 298 G HA2 0.806 4.766 3.960 0.001 0.000 0.181 298 G HA3 0.806 4.766 3.960 0.001 0.000 0.181 298 G C -0.950 173.685 174.900 -0.442 0.000 1.309 298 G CA -0.336 44.648 45.100 -0.192 0.000 1.009 298 G HN 0.541 8.831 8.290 -0.000 0.000 0.584 299 F N 0.000 119.945 119.950 -0.008 0.000 2.286 299 F HA 0.000 4.527 4.527 0.001 0.000 0.279 299 F CA 0.000 57.991 58.000 -0.014 0.000 1.383 299 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 299 F HN 0.000 8.300 8.300 -0.000 0.000 0.574