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 1cpd_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.652 176.870 -0.364 0.000 1.165 4 L CA 0.000 54.673 54.840 -0.278 0.000 0.813 4 L CB 0.000 41.784 42.059 -0.458 0.000 0.961 5 V N 1.379 121.021 119.914 -0.453 0.000 2.623 5 V HA 0.525 4.645 4.120 0.001 0.000 0.304 5 V C -1.107 174.677 176.094 -0.517 0.000 1.054 5 V CA -0.599 61.468 62.300 -0.387 0.000 0.882 5 V CB 2.301 34.004 31.823 -0.201 0.000 1.002 5 V HN 0.698 8.888 8.190 0.000 0.000 0.424 6 H N 3.349 122.193 119.070 -0.377 0.000 2.792 6 H HA 0.492 5.048 4.556 0.001 0.000 0.298 6 H C -0.552 174.386 175.328 -0.650 0.000 1.042 6 H CA -0.396 55.180 56.048 -0.787 0.000 1.300 6 H CB 1.827 30.854 29.762 -1.226 0.000 1.431 6 H HN 0.405 8.685 8.280 0.000 0.000 0.496 7 V N 1.917 121.697 119.914 -0.223 0.000 2.509 7 V HA 0.423 4.543 4.120 0.001 0.000 0.284 7 V C 0.936 177.072 176.094 0.070 0.000 1.047 7 V CA -0.961 61.272 62.300 -0.112 0.000 0.952 7 V CB 1.295 33.096 31.823 -0.036 0.000 0.988 7 V HN 0.827 9.017 8.190 0.000 0.000 0.469 8 A N 3.442 126.235 122.820 -0.045 0.000 2.409 8 A HA 0.540 4.861 4.320 0.001 0.000 0.267 8 A C 0.392 178.048 177.584 0.120 0.000 1.127 8 A CA -0.003 52.080 52.037 0.077 0.000 0.795 8 A CB 0.483 19.447 19.000 -0.059 0.000 1.061 8 A HN 0.831 8.981 8.150 0.000 0.000 0.502 9 S N 2.882 118.661 115.700 0.133 0.000 2.669 9 S HA 0.420 4.891 4.470 0.001 0.000 0.315 9 S C -0.303 174.373 174.600 0.126 0.000 1.106 9 S CA -0.550 57.720 58.200 0.116 0.000 1.107 9 S CB 0.262 63.529 63.200 0.112 0.000 0.990 9 S HN 0.691 9.001 8.310 0.000 0.000 0.471 10 V N 5.050 125.047 119.914 0.138 0.000 2.644 10 V HA -0.005 4.116 4.120 0.001 0.000 0.305 10 V C 0.557 176.777 176.094 0.209 0.000 1.053 10 V CA 0.222 62.637 62.300 0.191 0.000 1.186 10 V CB -0.093 31.840 31.823 0.183 0.000 0.895 10 V HN 0.824 9.014 8.190 0.000 0.000 0.490 11 E N 3.809 124.192 120.200 0.306 0.000 2.558 11 E HA -0.016 4.334 4.350 0.001 0.000 0.255 11 E C 0.307 176.989 176.600 0.137 0.000 0.968 11 E CA 0.266 56.826 56.400 0.267 0.000 0.939 11 E CB 0.097 30.061 29.700 0.441 0.000 0.921 11 E HN 0.461 8.821 8.360 0.000 0.000 0.477 12 K N 2.183 122.637 120.400 0.089 0.000 2.440 12 K HA -0.055 4.265 4.320 0.001 0.000 0.275 12 K C 0.888 177.463 176.600 -0.042 0.000 1.082 12 K CA 1.052 57.359 56.287 0.033 0.000 1.135 12 K CB -0.308 32.212 32.500 0.035 0.000 0.864 12 K HN 0.789 9.039 8.250 0.000 0.000 0.479 13 G N 3.435 112.218 108.800 -0.028 0.000 2.148 13 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 13 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 13 G C -0.223 174.592 174.900 -0.142 0.000 0.981 13 G CA -0.005 45.052 45.100 -0.071 0.000 0.670 13 G HN 0.543 8.833 8.290 0.000 0.000 0.528 14 R N 0.421 120.829 120.500 -0.154 0.000 2.486 14 R HA 0.770 5.111 4.340 0.001 0.000 0.286 14 R C 0.584 176.890 176.300 0.009 0.000 0.999 14 R CA 0.273 56.205 56.100 -0.279 0.000 0.993 14 R CB 1.569 31.508 30.300 -0.602 0.000 1.084 14 R HN 0.647 8.917 8.270 0.000 0.000 0.487 15 S N 0.298 115.992 115.700 -0.010 0.000 2.874 15 S HA 0.180 4.651 4.470 0.001 0.000 0.318 15 S C 0.939 175.659 174.600 0.201 0.000 1.109 15 S CA -0.692 57.629 58.200 0.203 0.000 0.878 15 S CB 0.316 63.600 63.200 0.140 0.000 1.307 15 S HN 0.634 8.944 8.310 0.000 0.000 0.592 16 Y N 1.936 122.199 120.300 -0.061 0.000 2.069 16 Y HA -0.203 4.348 4.550 0.001 0.000 0.278 16 Y C 2.110 177.948 175.900 -0.103 0.000 1.175 16 Y CA 2.769 60.624 58.100 -0.408 0.000 1.134 16 Y CB -0.971 37.218 38.460 -0.451 0.000 0.965 16 Y HN 0.793 9.073 8.280 0.000 0.000 0.498 17 E N 0.415 120.459 120.200 -0.259 0.000 2.130 17 E HA -0.221 4.130 4.350 0.001 0.000 0.196 17 E C 1.869 178.332 176.600 -0.228 0.000 0.998 17 E CA 1.664 57.900 56.400 -0.272 0.000 0.806 17 E CB -0.358 29.292 29.700 -0.083 0.000 0.738 17 E HN 0.620 8.980 8.360 0.000 0.000 0.459 18 D N -0.335 119.937 120.400 -0.213 0.000 2.144 18 D HA -0.130 4.510 4.640 0.001 0.000 0.199 18 D C 1.659 177.842 176.300 -0.193 0.000 0.984 18 D CA 0.922 54.780 54.000 -0.237 0.000 0.834 18 D CB -0.165 40.301 40.800 -0.557 0.000 0.955 18 D HN 0.207 8.577 8.370 0.000 0.000 0.465 19 F N 1.058 121.009 119.950 0.002 0.000 2.163 19 F HA -0.094 4.433 4.527 0.001 0.000 0.297 19 F C 2.661 178.218 175.800 -0.405 0.000 1.094 19 F CA 0.555 58.529 58.000 -0.044 0.000 1.290 19 F CB -0.592 38.585 39.000 0.295 0.000 1.017 19 F HN -0.156 8.144 8.300 0.000 0.000 0.483 20 Q N 1.078 120.718 119.800 -0.267 0.000 2.135 20 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 20 Q C 1.881 177.722 176.000 -0.264 0.000 0.981 20 Q CA 1.833 57.416 55.803 -0.367 0.000 0.856 20 Q CB -0.260 28.219 28.738 -0.432 0.000 0.902 20 Q HN 0.303 8.573 8.270 0.000 0.000 0.425 21 K N -1.216 119.049 120.400 -0.226 0.000 2.155 21 K HA -0.035 4.286 4.320 0.001 0.000 0.203 21 K C 1.925 178.257 176.600 -0.447 0.000 1.052 21 K CA 1.149 57.331 56.287 -0.175 0.000 0.948 21 K CB 0.085 32.580 32.500 -0.008 0.000 0.728 21 K HN 0.057 8.307 8.250 0.000 0.000 0.448 22 V N 0.598 120.085 119.914 -0.710 0.000 2.427 22 V HA -0.251 3.870 4.120 0.001 0.000 0.248 22 V C 1.974 177.748 176.094 -0.533 0.000 1.051 22 V CA 1.517 63.214 62.300 -1.004 0.000 1.048 22 V CB -0.559 30.716 31.823 -0.913 0.000 0.666 22 V HN 0.274 8.464 8.190 0.000 0.000 0.456 23 Y N 1.838 121.772 120.300 -0.610 0.000 2.097 23 Y HA -0.293 4.258 4.550 0.001 0.000 0.282 23 Y C 2.371 178.085 175.900 -0.310 0.000 1.152 23 Y CA 2.203 59.979 58.100 -0.540 0.000 1.136 23 Y CB -0.713 37.276 38.460 -0.786 0.000 0.975 23 Y HN 0.328 8.608 8.280 0.000 0.000 0.498 24 N N -0.160 118.586 118.700 0.077 0.000 2.104 24 N HA -0.243 4.498 4.740 0.001 0.000 0.190 24 N C 1.947 177.434 175.510 -0.038 0.000 1.024 24 N CA 0.936 54.029 53.050 0.072 0.000 0.853 24 N CB -0.364 38.159 38.487 0.060 0.000 1.008 24 N HN 0.500 8.880 8.380 0.000 0.000 0.424 25 A N 1.044 123.822 122.820 -0.070 0.000 1.972 25 A HA -0.083 4.238 4.320 0.001 0.000 0.219 25 A C 2.087 179.610 177.584 -0.101 0.000 1.169 25 A CA 0.963 52.982 52.037 -0.030 0.000 0.635 25 A CB -0.444 18.614 19.000 0.097 0.000 0.810 25 A HN 0.197 8.347 8.150 0.000 0.000 0.446 26 I N -0.488 119.978 120.570 -0.173 0.000 2.286 26 I HA -0.200 3.970 4.170 0.001 0.000 0.245 26 I C 2.946 179.016 176.117 -0.078 0.000 1.104 26 I CA 0.910 62.137 61.300 -0.121 0.000 1.397 26 I CB -0.290 37.599 38.000 -0.184 0.000 1.072 26 I HN 0.327 8.537 8.210 0.000 0.000 0.417 27 A N 0.892 123.587 122.820 -0.209 0.000 1.908 27 A HA -0.168 4.152 4.320 0.001 0.000 0.218 27 A C 2.286 179.854 177.584 -0.027 0.000 1.181 27 A CA 1.496 53.441 52.037 -0.153 0.000 0.627 27 A CB -0.853 18.028 19.000 -0.198 0.000 0.818 27 A HN 0.383 8.533 8.150 0.000 0.000 0.445 28 L N -0.958 120.251 121.223 -0.022 0.000 2.093 28 L HA -0.134 4.207 4.340 0.001 0.000 0.208 28 L C 2.589 179.463 176.870 0.006 0.000 1.085 28 L CA 1.724 56.566 54.840 0.002 0.000 0.755 28 L CB -0.290 41.767 42.059 -0.002 0.000 0.904 28 L HN 0.418 8.648 8.230 0.000 0.000 0.435 29 K N 0.396 120.782 120.400 -0.023 0.000 2.217 29 K HA -0.108 4.213 4.320 0.001 0.000 0.202 29 K C 2.125 178.825 176.600 0.167 0.000 1.051 29 K CA 0.743 56.996 56.287 -0.057 0.000 0.952 29 K CB 0.091 32.375 32.500 -0.361 0.000 0.736 29 K HN 0.246 8.496 8.250 0.000 0.000 0.453 30 L N 0.537 121.924 121.223 0.273 0.000 2.083 30 L HA -0.157 4.183 4.340 0.001 0.000 0.209 30 L C 2.751 179.735 176.870 0.190 0.000 1.083 30 L CA 1.156 56.163 54.840 0.280 0.000 0.752 30 L CB -0.302 41.825 42.059 0.113 0.000 0.899 30 L HN 0.234 8.464 8.230 0.000 0.000 0.433 31 R N 0.268 120.843 120.500 0.125 0.000 2.092 31 R HA -0.210 4.131 4.340 0.001 0.000 0.231 31 R C 2.173 178.539 176.300 0.111 0.000 1.119 31 R CA 1.756 57.917 56.100 0.103 0.000 0.970 31 R CB -0.018 30.324 30.300 0.071 0.000 0.864 31 R HN 0.466 8.736 8.270 0.000 0.000 0.440 32 E N -0.090 120.171 120.200 0.101 0.000 2.122 32 E HA -0.107 4.243 4.350 0.001 0.000 0.190 32 E C -0.103 176.574 176.600 0.129 0.000 0.977 32 E CA 0.842 57.295 56.400 0.090 0.000 0.820 32 E CB 0.156 29.881 29.700 0.042 0.000 0.770 32 E HN 0.160 8.520 8.360 0.000 0.000 0.462 33 D N 2.213 122.726 120.400 0.189 0.000 3.134 33 D HA -0.017 4.624 4.640 0.001 0.000 0.248 33 D C -0.201 176.270 176.300 0.286 0.000 1.273 33 D CA 0.136 54.294 54.000 0.265 0.000 0.904 33 D CB 0.342 41.383 40.800 0.402 0.000 1.089 33 D HN 0.320 8.690 8.370 0.000 0.000 0.478 34 D N -1.220 119.301 120.400 0.202 0.000 2.352 34 D HA -0.098 4.543 4.640 0.001 0.000 0.232 34 D C 1.081 177.415 176.300 0.056 0.000 1.055 34 D CA 0.268 54.374 54.000 0.177 0.000 0.891 34 D CB 0.151 41.074 40.800 0.206 0.000 0.897 34 D HN 0.002 8.372 8.370 0.000 0.000 0.529 35 E N -0.834 119.305 120.200 -0.101 0.000 2.250 35 E HA 0.001 4.352 4.350 0.001 0.000 0.192 35 E C 0.110 176.323 176.600 -0.645 0.000 0.986 35 E CA -0.339 55.620 56.400 -0.736 0.000 0.849 35 E CB -0.720 28.728 29.700 -0.422 0.000 0.797 35 E HN 0.594 8.954 8.360 0.000 0.000 0.482 36 Y N 2.365 122.438 120.300 -0.379 0.000 3.059 36 Y HA -0.127 4.423 4.550 0.001 0.000 0.343 36 Y C 0.516 176.198 175.900 -0.364 0.000 1.273 36 Y CA 0.665 58.521 58.100 -0.407 0.000 1.572 36 Y CB -0.029 37.987 38.460 -0.739 0.000 1.228 36 Y HN 0.114 8.394 8.280 0.000 0.000 0.610 37 D N 5.186 124.917 120.400 -1.115 0.000 2.735 37 D HA -0.306 4.335 4.640 0.001 0.000 0.235 37 D C -0.418 175.670 176.300 -0.353 0.000 1.175 37 D CA 1.442 54.989 54.000 -0.756 0.000 0.683 37 D CB -1.232 39.114 40.800 -0.757 0.000 1.008 37 D HN 0.824 9.194 8.370 0.000 0.000 0.416 38 N N 0.347 118.871 118.700 -0.294 0.000 2.738 38 N HA -0.297 4.444 4.740 0.001 0.000 0.249 38 N C -0.031 175.497 175.510 0.030 0.000 1.047 38 N CA 1.345 54.342 53.050 -0.088 0.000 0.707 38 N CB -1.333 37.166 38.487 0.020 0.000 0.937 38 N HN 0.639 9.019 8.380 0.000 0.000 0.545 39 Y N -3.924 116.351 120.300 -0.042 0.000 4.879 39 Y HA -0.293 4.258 4.550 0.002 0.000 0.247 39 Y C 1.584 177.482 175.900 -0.002 0.000 0.985 39 Y CA 0.935 59.032 58.100 -0.005 0.000 2.000 39 Y CB -2.120 36.344 38.460 0.007 0.000 1.519 39 Y HN 0.403 8.683 8.280 0.000 0.000 0.613 40 I N -0.398 120.168 120.570 -0.007 0.000 2.400 40 I HA 0.196 4.367 4.170 0.001 0.000 0.248 40 I C 1.688 177.833 176.117 0.047 0.000 1.109 40 I CA 1.279 62.590 61.300 0.018 0.000 1.425 40 I CB -0.268 37.719 38.000 -0.020 0.000 1.094 40 I HN 0.499 8.709 8.210 0.000 0.000 0.425 41 G N -0.314 108.511 108.800 0.041 0.000 2.661 41 G HA2 -0.260 3.701 3.960 0.001 0.000 0.685 41 G HA3 -0.260 3.701 3.960 0.001 0.000 0.685 41 G C -0.398 174.549 174.900 0.079 0.000 1.298 41 G CA -0.473 44.685 45.100 0.097 0.000 0.855 41 G HN 0.099 8.389 8.290 0.000 0.000 0.560 42 Y N 1.597 121.869 120.300 -0.046 0.000 2.490 42 Y HA 0.252 4.802 4.550 0.001 0.000 0.281 42 Y C 2.734 178.466 175.900 -0.280 0.000 1.174 42 Y CA 1.426 59.344 58.100 -0.302 0.000 1.295 42 Y CB 0.145 38.082 38.460 -0.872 0.000 1.062 42 Y HN 0.826 9.106 8.280 0.000 0.000 0.522 43 G N 1.729 110.513 108.800 -0.028 0.000 2.553 43 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 43 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 43 G C -0.549 174.347 174.900 -0.007 0.000 1.195 43 G CA 1.050 46.126 45.100 -0.039 0.000 0.779 43 G HN 0.271 8.561 8.290 0.000 0.000 0.577 44 P HA -0.093 4.327 4.420 0.000 0.000 0.215 44 P C 2.164 179.498 177.300 0.058 0.000 1.157 44 P CA 1.056 64.184 63.100 0.047 0.000 0.874 44 P CB -0.268 31.461 31.700 0.048 0.000 0.790 45 V N -0.644 119.305 119.914 0.058 0.000 2.469 45 V HA -0.218 3.902 4.120 0.001 0.000 0.251 45 V C 2.115 178.209 176.094 0.001 0.000 1.064 45 V CA 1.672 63.999 62.300 0.044 0.000 1.066 45 V CB -1.067 30.799 31.823 0.073 0.000 0.667 45 V HN 0.004 8.194 8.190 0.000 0.000 0.461 46 L N -1.150 120.054 121.223 -0.031 0.000 2.109 46 L HA -0.085 4.256 4.340 0.001 0.000 0.207 46 L C 2.493 179.404 176.870 0.067 0.000 1.086 46 L CA 1.133 55.954 54.840 -0.033 0.000 0.760 46 L CB -0.638 41.359 42.059 -0.104 0.000 0.910 46 L HN 0.207 8.437 8.230 0.000 0.000 0.437 47 V N 0.106 120.077 119.914 0.096 0.000 2.287 47 V HA -0.320 3.801 4.120 0.001 0.000 0.248 47 V C 2.688 178.953 176.094 0.284 0.000 1.053 47 V CA 1.964 64.382 62.300 0.198 0.000 1.027 47 V CB -0.620 31.278 31.823 0.124 0.000 0.646 47 V HN 0.441 8.631 8.190 0.000 0.000 0.447 48 R N -0.524 120.098 120.500 0.202 0.000 2.120 48 R HA -0.165 4.176 4.340 0.001 0.000 0.234 48 R C 2.235 178.585 176.300 0.082 0.000 1.123 48 R CA 1.580 57.821 56.100 0.235 0.000 0.975 48 R CB -0.288 30.060 30.300 0.080 0.000 0.866 48 R HN 0.463 8.733 8.270 0.000 0.000 0.446 49 L N 0.458 121.667 121.223 -0.024 0.000 2.027 49 L HA -0.019 4.322 4.340 0.001 0.000 0.206 49 L C 2.188 179.007 176.870 -0.084 0.000 1.074 49 L CA 2.157 56.885 54.840 -0.188 0.000 0.745 49 L CB -0.724 41.184 42.059 -0.250 0.000 0.898 49 L HN 0.168 8.398 8.230 0.000 0.000 0.433 50 A N -0.228 122.653 122.820 0.102 0.000 1.978 50 A HA -0.258 4.062 4.320 0.001 0.000 0.220 50 A C 2.239 179.971 177.584 0.248 0.000 1.170 50 A CA 1.752 53.899 52.037 0.185 0.000 0.636 50 A CB -1.343 17.828 19.000 0.284 0.000 0.810 50 A HN 0.850 9.000 8.150 0.000 0.000 0.448 51 W N -0.204 121.233 121.300 0.228 0.000 2.409 51 W HA -0.134 4.526 4.660 0.001 0.000 0.299 51 W C 1.739 178.419 176.519 0.268 0.000 1.203 51 W CA 1.528 59.043 57.345 0.284 0.000 1.298 51 W CB -0.765 28.922 29.460 0.380 0.000 1.127 51 W HN 0.559 8.739 8.180 0.000 0.000 0.528 52 H N 1.342 120.097 119.070 -0.525 0.000 2.421 52 H HA -0.159 4.398 4.556 0.001 0.000 0.298 52 H C 2.236 177.343 175.328 -0.369 0.000 1.087 52 H CA 2.059 57.722 56.048 -0.641 0.000 1.330 52 H CB 0.092 29.575 29.762 -0.465 0.000 1.388 52 H HN 0.318 8.598 8.280 0.000 0.000 0.526 53 I N -1.920 118.566 120.570 -0.139 0.000 2.617 53 I HA -0.027 4.144 4.170 0.001 0.000 0.256 53 I C 2.021 178.141 176.117 0.005 0.000 1.167 53 I CA 0.965 62.231 61.300 -0.057 0.000 1.469 53 I CB 0.086 38.068 38.000 -0.030 0.000 1.098 53 I HN -0.117 8.093 8.210 0.000 0.000 0.436 54 S N 1.106 116.803 115.700 -0.005 0.000 2.458 54 S HA 0.194 4.664 4.470 0.001 0.000 0.223 54 S C 1.939 176.569 174.600 0.051 0.000 1.019 54 S CA 0.679 58.903 58.200 0.040 0.000 0.937 54 S CB -0.205 63.041 63.200 0.078 0.000 0.788 54 S HN 0.688 8.998 8.310 0.000 0.000 0.511 55 G N 1.711 110.445 108.800 -0.110 0.000 2.848 55 G HA2 -0.069 3.891 3.960 0.001 0.000 0.208 55 G HA3 -0.069 3.891 3.960 0.001 0.000 0.208 55 G C 1.194 176.050 174.900 -0.074 0.000 1.152 55 G CA 1.117 46.120 45.100 -0.162 0.000 0.789 55 G HN 0.590 8.880 8.290 0.000 0.000 0.531 56 T N -3.574 110.964 114.554 -0.026 0.000 3.129 56 T HA 0.043 4.394 4.350 0.001 0.000 0.251 56 T C 0.729 175.495 174.700 0.110 0.000 1.117 56 T CA -0.773 61.338 62.100 0.019 0.000 1.034 56 T CB -0.010 68.882 68.868 0.040 0.000 0.968 56 T HN 0.213 8.453 8.240 0.000 0.000 0.526 57 W N 2.973 124.244 121.300 -0.047 0.000 2.170 57 W HA 0.403 5.063 4.660 0.001 0.000 0.342 57 W C -0.540 175.936 176.519 -0.071 0.000 1.294 57 W CA -0.345 56.980 57.345 -0.034 0.000 1.246 57 W CB 0.407 29.855 29.460 -0.021 0.000 1.156 57 W HN 0.001 8.181 8.180 0.000 0.000 0.572 58 D N 4.455 124.415 120.400 -0.733 0.000 2.469 58 D HA 0.079 4.720 4.640 0.001 0.000 0.251 58 D C 0.899 176.369 176.300 -1.382 0.000 1.173 58 D CA -0.420 53.112 54.000 -0.781 0.000 0.882 58 D CB 1.202 41.791 40.800 -0.353 0.000 1.129 58 D HN 0.558 8.928 8.370 0.000 0.000 0.549 59 K N 2.565 122.017 120.400 -1.581 0.000 2.360 59 K HA -0.138 4.183 4.320 0.001 0.000 0.201 59 K C 0.571 176.724 176.600 -0.744 0.000 1.046 59 K CA 1.128 56.537 56.287 -1.463 0.000 0.945 59 K CB -0.085 31.835 32.500 -0.967 0.000 0.750 59 K HN 0.427 8.677 8.250 0.000 0.000 0.464 60 H N 1.388 120.195 119.070 -0.438 0.000 2.333 60 H HA -0.061 4.496 4.556 0.001 0.000 0.302 60 H C 0.960 176.162 175.328 -0.210 0.000 1.075 60 H CA 1.609 57.504 56.048 -0.255 0.000 1.348 60 H CB 0.097 29.740 29.762 -0.199 0.000 1.393 60 H HN 0.616 8.896 8.280 0.000 0.000 0.509 61 D N -1.730 118.600 120.400 -0.116 0.000 2.431 61 D HA 0.031 4.672 4.640 0.001 0.000 0.213 61 D C 0.210 176.444 176.300 -0.111 0.000 1.130 61 D CA -0.149 53.795 54.000 -0.093 0.000 0.834 61 D CB -0.082 40.682 40.800 -0.060 0.000 0.985 61 D HN 0.131 8.501 8.370 0.000 0.000 0.504 62 N N -0.143 118.441 118.700 -0.194 0.000 2.828 62 N HA -0.187 4.554 4.740 0.001 0.000 0.248 62 N C -0.586 175.014 175.510 0.149 0.000 1.044 62 N CA 1.397 54.447 53.050 -0.001 0.000 0.851 62 N CB -1.704 36.812 38.487 0.047 0.000 1.136 62 N HN 0.600 8.980 8.380 0.000 0.000 0.572 63 T N -2.770 111.800 114.554 0.027 0.000 2.882 63 T HA 0.617 4.968 4.350 0.001 0.000 0.287 63 T C 1.209 176.026 174.700 0.196 0.000 1.014 63 T CA 0.301 62.485 62.100 0.140 0.000 1.049 63 T CB 1.503 70.403 68.868 0.053 0.000 1.001 63 T HN 1.090 9.330 8.240 0.000 0.000 0.525 64 G N 0.130 109.069 108.800 0.232 0.000 2.645 64 G HA2 0.359 4.320 3.960 0.001 0.000 0.239 64 G HA3 0.359 4.320 3.960 0.001 0.000 0.239 64 G C 0.341 175.448 174.900 0.346 0.000 1.331 64 G CA 0.016 45.258 45.100 0.237 0.000 0.890 64 G HN 2.794 11.084 8.290 0.000 0.000 0.572 65 G N -2.857 106.112 108.800 0.282 0.000 2.712 65 G HA2 0.324 4.285 3.960 0.001 0.000 0.683 65 G HA3 0.324 4.285 3.960 0.001 0.000 0.683 65 G C 1.217 176.182 174.900 0.107 0.000 1.320 65 G CA 1.117 46.321 45.100 0.174 0.000 0.847 65 G HN 2.468 10.758 8.290 0.000 0.000 0.553 66 S N -1.099 114.635 115.700 0.056 0.000 2.423 66 S HA -0.143 4.328 4.470 0.001 0.000 0.231 66 S C 1.904 176.575 174.600 0.118 0.000 1.014 66 S CA 1.947 60.207 58.200 0.100 0.000 0.965 66 S CB -0.417 62.833 63.200 0.083 0.000 0.785 66 S HN 1.503 9.813 8.310 0.000 0.000 0.495 67 Y N 3.079 123.333 120.300 -0.076 0.000 2.003 67 Y HA -0.270 4.281 4.550 0.001 0.000 0.261 67 Y C 2.407 178.264 175.900 -0.072 0.000 1.211 67 Y CA 1.844 59.862 58.100 -0.138 0.000 1.098 67 Y CB -1.108 37.171 38.460 -0.302 0.000 0.925 67 Y HN 0.348 8.628 8.280 0.000 0.000 0.498 68 G N -1.791 107.059 108.800 0.083 0.000 2.920 68 G HA2 0.225 4.185 3.960 0.001 0.000 0.208 68 G HA3 0.225 4.185 3.960 0.001 0.000 0.208 68 G C 1.199 176.162 174.900 0.106 0.000 1.159 68 G CA 0.338 45.482 45.100 0.074 0.000 0.784 68 G HN 1.070 9.360 8.290 0.000 0.000 0.535 69 G N 0.714 109.602 108.800 0.146 0.000 2.341 69 G HA2 -0.327 3.634 3.960 0.001 0.000 0.292 69 G HA3 -0.327 3.634 3.960 0.001 0.000 0.292 69 G C 1.234 176.279 174.900 0.242 0.000 1.021 69 G CA 1.448 46.690 45.100 0.237 0.000 0.905 69 G HN 1.074 9.364 8.290 0.000 0.000 0.508 70 T N -3.443 111.281 114.554 0.283 0.000 3.007 70 T HA -0.167 4.184 4.350 0.001 0.000 0.270 70 T C 1.831 176.696 174.700 0.274 0.000 1.107 70 T CA 1.514 63.825 62.100 0.351 0.000 1.118 70 T CB -0.178 68.946 68.868 0.426 0.000 0.889 70 T HN 0.755 8.995 8.240 0.000 0.000 0.506 71 Y N 3.665 124.065 120.300 0.168 0.000 2.241 71 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 71 Y C 2.516 178.447 175.900 0.053 0.000 1.166 71 Y CA 1.686 59.835 58.100 0.082 0.000 1.203 71 Y CB -0.449 37.958 38.460 -0.089 0.000 0.977 71 Y HN 0.335 8.615 8.280 0.000 0.000 0.529 72 R N -0.757 119.691 120.500 -0.086 0.000 2.249 72 R HA -0.128 4.212 4.340 0.001 0.000 0.230 72 R C -0.322 175.658 176.300 -0.534 0.000 1.121 72 R CA 0.655 56.539 56.100 -0.360 0.000 0.997 72 R CB -0.987 29.177 30.300 -0.227 0.000 0.867 72 R HN 0.217 8.487 8.270 0.000 0.000 0.465 73 F N 1.500 121.396 119.950 -0.091 0.000 2.377 73 F HA 0.327 4.854 4.527 0.001 0.000 0.328 73 F C 1.576 177.319 175.800 -0.095 0.000 1.094 73 F CA -1.093 56.858 58.000 -0.081 0.000 1.093 73 F CB 1.100 40.096 39.000 -0.007 0.000 1.214 73 F HN -0.296 8.004 8.300 0.000 0.000 0.518 74 K N 1.064 121.542 120.400 0.129 0.000 2.015 74 K HA -0.291 4.029 4.320 0.001 0.000 0.216 74 K C 2.057 178.726 176.600 0.116 0.000 1.052 74 K CA 2.204 58.539 56.287 0.080 0.000 0.937 74 K CB -0.144 32.391 32.500 0.058 0.000 0.719 74 K HN 0.553 8.803 8.250 0.000 0.000 0.446 75 K N 0.948 121.413 120.400 0.109 0.000 2.015 75 K HA -0.287 4.033 4.320 0.001 0.000 0.220 75 K C 2.151 178.810 176.600 0.098 0.000 1.055 75 K CA 2.286 58.626 56.287 0.089 0.000 0.951 75 K CB -0.130 32.415 32.500 0.075 0.000 0.725 75 K HN 0.198 8.448 8.250 0.000 0.000 0.449 76 E N -0.815 119.462 120.200 0.128 0.000 2.150 76 E HA -0.180 4.171 4.350 0.001 0.000 0.193 76 E C 1.860 178.516 176.600 0.093 0.000 0.985 76 E CA 0.799 57.278 56.400 0.132 0.000 0.814 76 E CB -0.112 29.703 29.700 0.191 0.000 0.752 76 E HN 0.385 8.745 8.360 0.000 0.000 0.466 77 F N 1.424 121.256 119.950 -0.197 0.000 2.234 77 F HA -0.054 4.474 4.527 0.001 0.000 0.299 77 F C 1.440 177.156 175.800 -0.140 0.000 1.087 77 F CA 1.052 58.808 58.000 -0.406 0.000 1.340 77 F CB 0.201 38.818 39.000 -0.638 0.000 1.031 77 F HN 0.005 8.305 8.300 0.000 0.000 0.500 78 N N 0.480 119.204 118.700 0.040 0.000 2.322 78 N HA -0.036 4.705 4.740 0.001 0.000 0.194 78 N C -0.463 175.050 175.510 0.006 0.000 1.126 78 N CA 0.181 53.241 53.050 0.018 0.000 0.845 78 N CB -0.573 37.962 38.487 0.079 0.000 0.976 78 N HN 0.243 8.623 8.380 0.000 0.000 0.475 79 D N 1.491 121.897 120.400 0.010 0.000 2.417 79 D HA 0.049 4.690 4.640 0.001 0.000 0.250 79 D C -1.396 174.915 176.300 0.019 0.000 1.166 79 D CA -1.757 52.260 54.000 0.027 0.000 0.881 79 D CB 1.487 42.313 40.800 0.044 0.000 1.164 79 D HN 0.003 8.373 8.370 0.000 0.000 0.467 80 P HA -0.122 4.298 4.420 0.000 0.000 0.216 80 P C 0.993 178.327 177.300 0.057 0.000 1.150 80 P CA 1.056 64.175 63.100 0.033 0.000 0.843 80 P CB 0.154 31.874 31.700 0.035 0.000 0.787 81 S N -0.951 114.791 115.700 0.069 0.000 2.507 81 S HA -0.043 4.427 4.470 0.001 0.000 0.235 81 S C 1.339 176.066 174.600 0.212 0.000 0.988 81 S CA 0.746 59.018 58.200 0.120 0.000 0.944 81 S CB -0.731 62.499 63.200 0.050 0.000 0.762 81 S HN 0.223 8.533 8.310 0.000 0.000 0.526 82 N N 1.376 120.151 118.700 0.126 0.000 2.236 82 N HA 0.289 5.029 4.740 0.001 0.000 0.196 82 N C 0.251 175.746 175.510 -0.024 0.000 1.114 82 N CA 0.023 53.132 53.050 0.098 0.000 0.859 82 N CB 0.043 38.594 38.487 0.106 0.000 0.982 82 N HN 0.347 8.727 8.380 0.000 0.000 0.493 83 A N 0.056 122.873 122.820 -0.006 0.000 2.567 83 A HA 0.403 4.723 4.320 0.001 0.000 0.240 83 A C 1.504 179.064 177.584 -0.041 0.000 1.053 83 A CA 0.967 52.985 52.037 -0.032 0.000 0.755 83 A CB -0.363 18.640 19.000 0.005 0.000 0.978 83 A HN 0.464 8.614 8.150 0.000 0.000 0.507 84 G N 1.007 109.771 108.800 -0.060 0.000 2.241 84 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 84 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 84 G C 0.818 175.688 174.900 -0.051 0.000 0.998 84 G CA 0.428 45.491 45.100 -0.062 0.000 0.621 84 G HN 0.796 9.086 8.290 0.000 0.000 0.519 85 L N 1.787 122.955 121.223 -0.092 0.000 2.376 85 L HA -0.051 4.290 4.340 0.001 0.000 0.219 85 L C 3.133 180.019 176.870 0.027 0.000 1.133 85 L CA 1.549 56.333 54.840 -0.094 0.000 0.816 85 L CB -0.414 41.511 42.059 -0.225 0.000 0.933 85 L HN 0.553 8.783 8.230 0.000 0.000 0.449 86 Q N -0.088 119.710 119.800 -0.004 0.000 2.297 86 Q HA -0.202 4.138 4.340 0.001 0.000 0.208 86 Q C 1.223 177.407 176.000 0.307 0.000 0.981 86 Q CA 1.369 57.279 55.803 0.179 0.000 0.876 86 Q CB -0.770 28.060 28.738 0.153 0.000 0.921 86 Q HN 0.515 8.785 8.270 0.000 0.000 0.446 87 N N 1.227 120.048 118.700 0.202 0.000 2.270 87 N HA -0.053 4.688 4.740 0.001 0.000 0.181 87 N C 1.913 177.552 175.510 0.215 0.000 1.016 87 N CA 1.417 54.601 53.050 0.224 0.000 0.870 87 N CB -0.560 38.051 38.487 0.205 0.000 0.979 87 N HN 0.528 8.908 8.380 0.000 0.000 0.431 88 G N 0.062 108.963 108.800 0.169 0.000 2.403 88 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 88 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 88 G C 1.332 176.371 174.900 0.231 0.000 1.154 88 G CA 0.010 45.175 45.100 0.108 0.000 0.784 88 G HN 0.188 8.478 8.290 0.000 0.000 0.538 89 F N 2.155 122.206 119.950 0.167 0.000 2.046 89 F HA -0.087 4.441 4.527 0.001 0.000 0.297 89 F C 2.903 178.833 175.800 0.217 0.000 1.123 89 F CA 1.937 60.105 58.000 0.279 0.000 1.199 89 F CB -0.540 38.737 39.000 0.462 0.000 0.972 89 F HN 0.053 8.353 8.300 0.000 0.000 0.474 90 K N -0.184 120.360 120.400 0.240 0.000 2.160 90 K HA -0.246 4.075 4.320 0.001 0.000 0.206 90 K C 1.971 178.536 176.600 -0.059 0.000 1.047 90 K CA 1.507 57.822 56.287 0.047 0.000 0.930 90 K CB -1.539 31.049 32.500 0.145 0.000 0.720 90 K HN 0.538 8.788 8.250 0.000 0.000 0.450 91 F N 0.756 120.569 119.950 -0.229 0.000 2.186 91 F HA 0.025 4.553 4.527 0.001 0.000 0.299 91 F C 1.728 177.351 175.800 -0.295 0.000 1.090 91 F CA 1.349 59.103 58.000 -0.410 0.000 1.307 91 F CB -0.072 38.502 39.000 -0.710 0.000 1.019 91 F HN -0.030 8.270 8.300 0.000 0.000 0.489 92 L N -0.221 121.013 121.223 0.018 0.000 2.240 92 L HA -0.092 4.249 4.340 0.001 0.000 0.211 92 L C 2.331 179.092 176.870 -0.181 0.000 1.106 92 L CA 0.845 55.655 54.840 -0.051 0.000 0.793 92 L CB -0.783 41.328 42.059 0.087 0.000 0.927 92 L HN 0.149 8.379 8.230 0.000 0.000 0.446 93 E N 0.677 120.707 120.200 -0.283 0.000 2.086 93 E HA -0.252 4.098 4.350 0.001 0.000 0.205 93 E C -0.628 175.866 176.600 -0.177 0.000 1.027 93 E CA 2.005 58.235 56.400 -0.283 0.000 0.830 93 E CB -0.678 28.812 29.700 -0.350 0.000 0.751 93 E HN 0.368 8.728 8.360 0.000 0.000 0.456 94 P HA -0.129 4.291 4.420 0.000 0.000 0.220 94 P C 1.392 178.607 177.300 -0.142 0.000 1.148 94 P CA 1.102 64.095 63.100 -0.180 0.000 0.803 94 P CB -0.124 31.441 31.700 -0.226 0.000 0.782 95 I N -1.002 119.487 120.570 -0.135 0.000 2.286 95 I HA -0.204 3.967 4.170 0.001 0.000 0.245 95 I C 2.620 178.781 176.117 0.072 0.000 1.104 95 I CA 1.342 62.624 61.300 -0.031 0.000 1.397 95 I CB -1.267 36.684 38.000 -0.082 0.000 1.072 95 I HN 0.108 8.318 8.210 0.000 0.000 0.417 96 H N 1.301 120.288 119.070 -0.138 0.000 2.387 96 H HA -0.151 4.405 4.556 0.001 0.000 0.299 96 H C 2.390 177.624 175.328 -0.157 0.000 1.090 96 H CA 1.305 57.257 56.048 -0.160 0.000 1.332 96 H CB 0.413 30.061 29.762 -0.189 0.000 1.386 96 H HN 0.025 8.305 8.280 0.000 0.000 0.516 97 K N 0.354 120.704 120.400 -0.083 0.000 2.147 97 K HA -0.132 4.189 4.320 0.001 0.000 0.205 97 K C 1.892 178.378 176.600 -0.190 0.000 1.049 97 K CA 1.385 57.573 56.287 -0.164 0.000 0.936 97 K CB -0.125 32.286 32.500 -0.148 0.000 0.722 97 K HN 0.550 8.800 8.250 0.000 0.000 0.446 98 E N -1.629 118.450 120.200 -0.202 0.000 2.299 98 E HA 0.015 4.365 4.350 0.001 0.000 0.193 98 E C -0.584 175.646 176.600 -0.616 0.000 0.998 98 E CA 0.551 56.700 56.400 -0.418 0.000 0.851 98 E CB 0.281 29.683 29.700 -0.496 0.000 0.795 98 E HN 0.430 8.790 8.360 0.000 0.000 0.492 99 F N 0.221 120.029 119.950 -0.236 0.000 2.622 99 F HA 0.292 4.819 4.527 0.001 0.000 0.338 99 F C -2.007 173.449 175.800 -0.573 0.000 1.334 99 F CA -1.986 55.733 58.000 -0.468 0.000 1.179 99 F CB 1.656 40.253 39.000 -0.672 0.000 1.471 99 F HN -0.055 8.245 8.300 0.000 0.000 0.576 100 P HA -0.114 4.306 4.420 0.000 0.000 0.234 100 P C 1.208 178.461 177.300 -0.079 0.000 1.167 100 P CA 0.984 63.947 63.100 -0.228 0.000 0.763 100 P CB -0.103 31.493 31.700 -0.172 0.000 0.835 101 W N -0.977 120.364 121.300 0.068 0.000 3.256 101 W HA 0.316 4.977 4.660 0.001 0.000 0.269 101 W C 0.372 176.963 176.519 0.120 0.000 1.310 101 W CA -0.661 56.723 57.345 0.066 0.000 1.673 101 W CB -0.945 28.540 29.460 0.041 0.000 1.115 101 W HN -0.141 8.039 8.180 0.000 0.000 0.686 102 I N 3.879 124.326 120.570 -0.206 0.000 2.474 102 I HA 0.053 4.223 4.170 0.001 0.000 0.287 102 I C 1.117 177.299 176.117 0.108 0.000 1.048 102 I CA -0.064 61.186 61.300 -0.083 0.000 1.383 102 I CB 1.130 38.811 38.000 -0.532 0.000 1.412 102 I HN -0.100 8.110 8.210 0.000 0.000 0.531 103 S N 4.270 120.051 115.700 0.136 0.000 2.608 103 S HA 0.174 4.645 4.470 0.001 0.000 0.261 103 S C 1.004 175.512 174.600 -0.154 0.000 1.314 103 S CA -0.386 57.837 58.200 0.039 0.000 0.992 103 S CB 1.507 64.712 63.200 0.007 0.000 0.935 103 S HN 0.725 9.035 8.310 0.000 0.000 0.564 104 S N 1.201 116.768 115.700 -0.222 0.000 2.355 104 S HA 0.026 4.497 4.470 0.001 0.000 0.222 104 S C 2.158 176.376 174.600 -0.636 0.000 1.031 104 S CA 1.164 59.014 58.200 -0.583 0.000 0.993 104 S CB -1.223 61.735 63.200 -0.403 0.000 0.859 104 S HN 0.948 9.258 8.310 0.000 0.000 0.453 105 G N 1.566 110.230 108.800 -0.226 0.000 2.432 105 G HA2 -0.215 3.746 3.960 0.001 0.000 0.219 105 G HA3 -0.215 3.746 3.960 0.001 0.000 0.219 105 G C 1.016 175.936 174.900 0.034 0.000 1.135 105 G CA 0.962 46.052 45.100 -0.017 0.000 0.767 105 G HN 0.361 8.651 8.290 0.000 0.000 0.550 106 D N -0.026 120.385 120.400 0.018 0.000 2.097 106 D HA -0.071 4.569 4.640 0.001 0.000 0.197 106 D C 2.399 178.793 176.300 0.157 0.000 0.984 106 D CA 0.408 54.563 54.000 0.258 0.000 0.826 106 D CB -0.341 40.686 40.800 0.378 0.000 0.973 106 D HN 0.199 8.569 8.370 0.000 0.000 0.460 107 L N 0.309 121.438 121.223 -0.158 0.000 1.989 107 L HA -0.169 4.172 4.340 0.001 0.000 0.211 107 L C 2.062 178.879 176.870 -0.088 0.000 1.071 107 L CA 1.601 56.267 54.840 -0.290 0.000 0.749 107 L CB -0.858 40.806 42.059 -0.658 0.000 0.890 107 L HN -0.090 8.140 8.230 0.000 0.000 0.431 108 F N 0.008 119.949 119.950 -0.015 0.000 2.161 108 F HA -0.195 4.333 4.527 0.001 0.000 0.300 108 F C 2.904 178.728 175.800 0.039 0.000 1.089 108 F CA 1.220 59.235 58.000 0.024 0.000 1.282 108 F CB -1.742 37.292 39.000 0.057 0.000 1.010 108 F HN 0.380 8.680 8.300 0.000 0.000 0.485 109 S N -0.136 115.746 115.700 0.304 0.000 2.395 109 S HA -0.103 4.367 4.470 0.001 0.000 0.225 109 S C 1.951 176.638 174.600 0.144 0.000 1.027 109 S CA 0.735 59.098 58.200 0.272 0.000 0.965 109 S CB -0.934 62.492 63.200 0.377 0.000 0.812 109 S HN 0.283 8.593 8.310 0.000 0.000 0.482 110 L N 2.679 123.869 121.223 -0.054 0.000 2.217 110 L HA 0.282 4.623 4.340 0.001 0.000 0.211 110 L C 2.284 179.009 176.870 -0.241 0.000 1.107 110 L CA 1.603 56.162 54.840 -0.468 0.000 0.783 110 L CB -1.254 40.377 42.059 -0.714 0.000 0.919 110 L HN 0.370 8.600 8.230 0.000 0.000 0.442 111 G N -0.853 107.887 108.800 -0.100 0.000 2.418 111 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 111 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 111 G C 1.506 176.396 174.900 -0.016 0.000 1.158 111 G CA 0.533 45.591 45.100 -0.070 0.000 0.771 111 G HN 0.562 8.852 8.290 0.000 0.000 0.545 112 G N 0.454 109.316 108.800 0.103 0.000 2.421 112 G HA2 -0.148 3.812 3.960 0.001 0.000 0.216 112 G HA3 -0.148 3.812 3.960 0.001 0.000 0.216 112 G C 1.788 176.847 174.900 0.265 0.000 1.171 112 G CA 1.230 46.478 45.100 0.246 0.000 0.775 112 G HN 0.312 8.602 8.290 0.000 0.000 0.543 113 V N 1.004 121.061 119.914 0.239 0.000 2.343 113 V HA -0.193 3.927 4.120 0.001 0.000 0.247 113 V C 3.163 179.319 176.094 0.103 0.000 1.051 113 V CA 2.377 64.817 62.300 0.234 0.000 1.036 113 V CB -0.968 30.972 31.823 0.196 0.000 0.654 113 V HN 0.391 8.581 8.190 0.000 0.000 0.451 114 T N 0.392 114.903 114.554 -0.071 0.000 2.708 114 T HA -0.176 4.175 4.350 0.001 0.000 0.266 114 T C 2.102 176.682 174.700 -0.200 0.000 1.037 114 T CA 1.688 63.587 62.100 -0.335 0.000 1.146 114 T CB -0.512 67.975 68.868 -0.634 0.000 0.865 114 T HN 0.576 8.816 8.240 0.000 0.000 0.435 115 A N 1.125 123.867 122.820 -0.129 0.000 1.873 115 A HA -0.123 4.197 4.320 0.001 0.000 0.218 115 A C 2.616 180.152 177.584 -0.079 0.000 1.193 115 A CA 1.881 53.864 52.037 -0.089 0.000 0.629 115 A CB -1.249 17.716 19.000 -0.057 0.000 0.826 115 A HN 0.344 8.494 8.150 0.000 0.000 0.447 116 V N 0.051 119.906 119.914 -0.099 0.000 2.287 116 V HA -0.338 3.782 4.120 0.001 0.000 0.248 116 V C 2.694 178.623 176.094 -0.276 0.000 1.053 116 V CA 2.370 64.509 62.300 -0.269 0.000 1.027 116 V CB -0.950 30.632 31.823 -0.403 0.000 0.646 116 V HN 0.658 8.848 8.190 0.000 0.000 0.447 117 Q N -0.742 118.985 119.800 -0.121 0.000 2.119 117 Q HA -0.171 4.169 4.340 0.001 0.000 0.201 117 Q C 2.226 178.227 176.000 0.001 0.000 0.972 117 Q CA 1.134 56.911 55.803 -0.042 0.000 0.847 117 Q CB -0.168 28.654 28.738 0.140 0.000 0.903 117 Q HN 0.607 8.877 8.270 0.000 0.000 0.433 118 E N 0.260 120.459 120.200 -0.002 0.000 2.347 118 E HA -0.045 4.306 4.350 0.001 0.000 0.196 118 E C 1.244 177.852 176.600 0.013 0.000 1.008 118 E CA 0.707 57.114 56.400 0.012 0.000 0.852 118 E CB 0.083 29.768 29.700 -0.025 0.000 0.783 118 E HN 0.421 8.781 8.360 0.000 0.000 0.505 119 M N 0.062 119.659 119.600 -0.005 0.000 2.571 119 M HA 0.049 4.530 4.480 0.001 0.000 0.235 119 M C -0.301 176.036 176.300 0.063 0.000 1.216 119 M CA 0.230 55.553 55.300 0.039 0.000 0.979 119 M CB 0.145 32.782 32.600 0.062 0.000 1.616 119 M HN -0.060 8.230 8.290 0.000 0.000 0.469 120 Q N -1.206 118.608 119.800 0.025 0.000 2.493 120 Q HA -0.140 4.200 4.340 0.001 0.000 0.260 120 Q C 0.504 176.480 176.000 -0.041 0.000 0.905 120 Q CA 0.301 56.130 55.803 0.043 0.000 1.140 120 Q CB -2.083 26.724 28.738 0.114 0.000 1.435 120 Q HN 0.759 9.029 8.270 0.000 0.000 0.581 121 G N 0.920 109.531 108.800 -0.314 0.000 2.516 121 G HA2 0.489 4.450 3.960 0.001 0.000 0.276 121 G HA3 0.489 4.450 3.960 0.001 0.000 0.276 121 G C -2.142 172.310 174.900 -0.747 0.000 1.390 121 G CA -0.574 43.972 45.100 -0.923 0.000 1.050 121 G HN 0.069 8.359 8.290 0.000 0.000 0.519 122 P HA 0.290 4.710 4.420 0.000 0.000 0.278 122 P C -0.709 176.451 177.300 -0.234 0.000 1.266 122 P CA -0.690 62.153 63.100 -0.429 0.000 0.807 122 P CB 0.854 32.325 31.700 -0.382 0.000 1.094 123 K N 0.935 121.285 120.400 -0.083 0.000 2.298 123 K HA 0.327 4.648 4.320 0.001 0.000 0.280 123 K C -0.000 176.606 176.600 0.009 0.000 1.032 123 K CA -0.297 55.982 56.287 -0.013 0.000 0.958 123 K CB 0.145 32.649 32.500 0.006 0.000 0.978 123 K HN 0.392 8.642 8.250 0.000 0.000 0.472 124 I N 5.488 126.104 120.570 0.077 0.000 2.390 124 I HA 0.246 4.417 4.170 0.001 0.000 0.283 124 I C -2.239 173.965 176.117 0.146 0.000 1.016 124 I CA -2.975 58.405 61.300 0.135 0.000 1.151 124 I CB 0.956 39.109 38.000 0.255 0.000 1.293 124 I HN 0.135 8.345 8.210 0.000 0.000 0.458 125 P HA 0.068 4.488 4.420 0.000 0.000 0.268 125 P C -1.013 176.360 177.300 0.121 0.000 1.205 125 P CA 0.132 63.252 63.100 0.034 0.000 0.771 125 P CB 0.609 32.275 31.700 -0.057 0.000 0.858 126 W N 3.876 125.107 121.300 -0.115 0.000 3.022 126 W HA 0.483 5.144 4.660 0.002 0.000 0.335 126 W C -1.001 175.371 176.519 -0.245 0.000 1.133 126 W CA -0.661 56.637 57.345 -0.078 0.000 1.219 126 W CB 1.737 31.299 29.460 0.170 0.000 1.409 126 W HN 0.202 8.382 8.180 0.000 0.000 0.507 127 R N 4.154 123.958 120.500 -1.159 0.000 2.562 127 R HA 0.594 4.935 4.340 0.001 0.000 0.298 127 R C -0.220 175.039 176.300 -1.735 0.000 0.961 127 R CA -0.719 54.598 56.100 -1.304 0.000 0.881 127 R CB 1.172 30.799 30.300 -1.122 0.000 1.159 127 R HN 0.653 8.923 8.270 0.000 0.000 0.450 128 C N -0.696 117.818 119.300 -1.309 0.000 2.345 128 C HA 0.929 5.390 4.460 0.001 0.000 0.369 128 C C 1.362 176.196 174.990 -0.259 0.000 1.273 128 C CA 0.413 58.925 59.018 -0.843 0.000 2.310 128 C CB 0.639 28.025 27.740 -0.590 0.000 2.219 128 C HN 1.033 9.263 8.230 0.000 0.000 0.587 129 G N 0.283 109.064 108.800 -0.031 0.000 2.367 129 G HA2 -0.081 3.879 3.960 0.001 0.000 0.181 129 G HA3 -0.081 3.879 3.960 0.001 0.000 0.181 129 G C 0.061 174.950 174.900 -0.019 0.000 1.000 129 G CA -0.419 44.714 45.100 0.056 0.000 0.693 129 G HN 0.911 9.201 8.290 0.000 0.000 0.480 130 R N 0.050 120.487 120.500 -0.105 0.000 2.734 130 R HA 0.505 4.846 4.340 0.001 0.000 0.266 130 R C -0.353 175.656 176.300 -0.485 0.000 1.044 130 R CA 0.249 56.114 56.100 -0.392 0.000 1.128 130 R CB 1.138 31.297 30.300 -0.236 0.000 1.010 130 R HN 0.100 8.370 8.270 0.000 0.000 0.461 131 V N 1.979 121.316 119.914 -0.963 0.000 2.638 131 V HA 0.103 4.224 4.120 0.001 0.000 0.306 131 V C -0.812 175.074 176.094 -0.347 0.000 1.052 131 V CA -1.065 60.944 62.300 -0.485 0.000 0.885 131 V CB 2.107 33.735 31.823 -0.325 0.000 0.999 131 V HN 0.676 8.866 8.190 0.000 0.000 0.424 132 D N 2.989 123.319 120.400 -0.118 0.000 2.458 132 D HA 0.408 5.048 4.640 0.001 0.000 0.243 132 D C 0.517 176.862 176.300 0.075 0.000 1.146 132 D CA 0.517 54.510 54.000 -0.012 0.000 0.877 132 D CB 1.034 41.848 40.800 0.022 0.000 1.176 132 D HN 0.810 9.180 8.370 0.000 0.000 0.461 133 T N -0.996 113.654 114.554 0.160 0.000 2.942 133 T HA 0.719 5.069 4.350 0.001 0.000 0.289 133 T C -2.759 172.120 174.700 0.299 0.000 1.044 133 T CA -2.230 59.996 62.100 0.210 0.000 1.023 133 T CB 1.784 70.786 68.868 0.223 0.000 1.123 133 T HN -0.034 8.206 8.240 0.000 0.000 0.512 134 P HA 0.230 4.650 4.420 0.000 0.000 0.272 134 P C 0.757 177.932 177.300 -0.209 0.000 1.223 134 P CA -0.308 62.841 63.100 0.082 0.000 0.784 134 P CB 0.502 32.215 31.700 0.022 0.000 0.923 135 E N 1.382 121.117 120.200 -0.775 0.000 2.253 135 E HA -0.299 4.052 4.350 0.001 0.000 0.202 135 E C 1.008 177.216 176.600 -0.653 0.000 1.014 135 E CA 1.720 57.183 56.400 -1.561 0.000 0.823 135 E CB -0.082 28.895 29.700 -1.206 0.000 0.736 135 E HN 0.502 8.862 8.360 0.000 0.000 0.478 136 D N -0.859 119.352 120.400 -0.316 0.000 2.355 136 D HA -0.098 4.542 4.640 0.001 0.000 0.218 136 D C 1.533 177.798 176.300 -0.059 0.000 1.004 136 D CA 1.282 55.194 54.000 -0.148 0.000 0.880 136 D CB -0.348 40.396 40.800 -0.093 0.000 0.911 136 D HN 0.219 8.589 8.370 0.000 0.000 0.528 137 T N -2.932 111.607 114.554 -0.025 0.000 3.107 137 T HA 0.055 4.406 4.350 0.001 0.000 0.249 137 T C 0.720 175.477 174.700 0.095 0.000 1.096 137 T CA -0.282 61.860 62.100 0.069 0.000 1.012 137 T CB -0.736 68.213 68.868 0.134 0.000 0.977 137 T HN -0.089 8.151 8.240 0.000 0.000 0.527 138 T N 5.468 120.056 114.554 0.057 0.000 2.784 138 T HA 0.274 4.625 4.350 0.001 0.000 0.291 138 T C -2.444 172.308 174.700 0.086 0.000 0.942 138 T CA -0.944 61.225 62.100 0.115 0.000 1.161 138 T CB 0.580 69.508 68.868 0.100 0.000 0.885 138 T HN 0.262 8.502 8.240 0.000 0.000 0.534 139 P HA 0.180 4.600 4.420 0.000 0.000 0.269 139 P C -0.078 177.258 177.300 0.061 0.000 1.209 139 P CA -0.410 62.735 63.100 0.075 0.000 0.776 139 P CB 0.599 32.347 31.700 0.079 0.000 0.876 140 D N 1.278 121.703 120.400 0.042 0.000 2.360 140 D HA 0.108 4.748 4.640 0.001 0.000 0.242 140 D C 0.468 176.791 176.300 0.039 0.000 1.184 140 D CA 0.167 54.190 54.000 0.037 0.000 0.930 140 D CB 0.345 41.161 40.800 0.027 0.000 1.161 140 D HN 0.284 8.654 8.370 0.000 0.000 0.447 141 N N -0.536 118.187 118.700 0.038 0.000 2.399 141 N HA 0.351 5.092 4.740 0.001 0.000 0.250 141 N C 1.176 176.707 175.510 0.034 0.000 1.272 141 N CA 0.363 53.434 53.050 0.034 0.000 0.928 141 N CB 0.778 39.286 38.487 0.035 0.000 1.158 141 N HN 0.629 9.009 8.380 0.000 0.000 0.463 142 G N -0.266 108.554 108.800 0.034 0.000 2.144 142 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 142 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 142 G C 0.792 175.733 174.900 0.068 0.000 0.988 142 G CA -0.182 44.948 45.100 0.050 0.000 0.659 142 G HN 0.545 8.835 8.290 0.000 0.000 0.522 143 R N -0.726 119.805 120.500 0.051 0.000 2.312 143 R HA 0.343 4.684 4.340 0.001 0.000 0.205 143 R C 0.842 177.229 176.300 0.144 0.000 0.904 143 R CA 0.065 56.212 56.100 0.078 0.000 1.052 143 R CB 0.233 30.552 30.300 0.031 0.000 1.014 143 R HN 0.397 8.667 8.270 0.000 0.000 0.503 144 L N 2.478 123.724 121.223 0.037 0.000 2.343 144 L HA 0.358 4.698 4.340 0.001 0.000 0.275 144 L C -2.036 174.795 176.870 -0.064 0.000 1.056 144 L CA -2.279 52.519 54.840 -0.070 0.000 0.804 144 L CB 0.875 42.722 42.059 -0.355 0.000 1.203 144 L HN -0.149 8.081 8.230 0.000 0.000 0.440 145 P HA 0.144 4.564 4.420 0.000 0.000 0.274 145 P C -1.242 176.041 177.300 -0.030 0.000 1.231 145 P CA -0.452 62.443 63.100 -0.342 0.000 0.790 145 P CB 0.714 31.935 31.700 -0.798 0.000 0.951 146 D N 0.408 120.828 120.400 0.034 0.000 2.312 146 D HA 0.283 4.924 4.640 0.001 0.000 0.248 146 D C 0.926 177.194 176.300 -0.053 0.000 1.086 146 D CA -0.353 53.626 54.000 -0.036 0.000 0.948 146 D CB 1.304 42.018 40.800 -0.143 0.000 1.162 146 D HN 0.337 8.707 8.370 0.000 0.000 0.446 147 A N 0.947 123.765 122.820 -0.004 0.000 2.195 147 A HA -0.038 4.283 4.320 0.001 0.000 0.210 147 A C 0.606 178.168 177.584 -0.036 0.000 1.165 147 A CA 0.148 52.161 52.037 -0.040 0.000 0.806 147 A CB 0.066 18.972 19.000 -0.157 0.000 0.847 147 A HN 0.476 8.626 8.150 0.000 0.000 0.482 148 D N 0.098 120.494 120.400 -0.007 0.000 3.072 148 D HA 0.208 4.849 4.640 0.001 0.000 0.250 148 D C 0.146 176.419 176.300 -0.045 0.000 1.304 148 D CA -0.045 53.973 54.000 0.030 0.000 0.861 148 D CB 0.169 41.007 40.800 0.062 0.000 1.062 148 D HN 0.114 8.484 8.370 0.000 0.000 0.481 149 K N 0.268 120.614 120.400 -0.089 0.000 2.149 149 K HA 0.392 4.713 4.320 0.001 0.000 0.241 149 K C -0.131 176.516 176.600 0.079 0.000 1.083 149 K CA -0.583 55.644 56.287 -0.099 0.000 0.885 149 K CB 0.872 33.085 32.500 -0.479 0.000 1.374 149 K HN 0.160 8.410 8.250 0.000 0.000 0.511 150 D N -1.523 118.970 120.400 0.156 0.000 2.621 150 D HA 0.384 5.025 4.640 0.001 0.000 0.255 150 D C 0.782 177.256 176.300 0.290 0.000 1.122 150 D CA -0.579 53.545 54.000 0.207 0.000 1.096 150 D CB 0.356 41.261 40.800 0.175 0.000 1.282 150 D HN 0.351 8.721 8.370 0.000 0.000 0.619 151 A N -0.201 122.773 122.820 0.257 0.000 1.948 151 A HA -0.045 4.276 4.320 0.001 0.000 0.220 151 A C 2.026 179.791 177.584 0.301 0.000 1.177 151 A CA 2.529 54.764 52.037 0.329 0.000 0.636 151 A CB -1.603 17.573 19.000 0.293 0.000 0.815 151 A HN 0.682 8.832 8.150 0.000 0.000 0.449 152 G N -1.894 107.041 108.800 0.225 0.000 2.402 152 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 152 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 152 G C 1.524 176.562 174.900 0.229 0.000 1.162 152 G CA 1.192 46.403 45.100 0.184 0.000 0.777 152 G HN 0.615 8.905 8.290 0.000 0.000 0.539 153 Y N 1.411 121.813 120.300 0.170 0.000 2.097 153 Y HA -0.180 4.371 4.550 0.001 0.000 0.282 153 Y C 2.823 178.883 175.900 0.266 0.000 1.152 153 Y CA 1.903 60.114 58.100 0.185 0.000 1.136 153 Y CB -0.482 38.068 38.460 0.149 0.000 0.975 153 Y HN 0.026 8.306 8.280 0.000 0.000 0.498 154 V N 1.234 121.363 119.914 0.360 0.000 2.332 154 V HA -0.349 3.772 4.120 0.001 0.000 0.248 154 V C 2.584 178.956 176.094 0.463 0.000 1.055 154 V CA 2.373 64.916 62.300 0.406 0.000 1.038 154 V CB -0.813 31.283 31.823 0.455 0.000 0.651 154 V HN 0.404 8.594 8.190 0.000 0.000 0.450 155 R N -0.396 120.332 120.500 0.379 0.000 2.073 155 R HA -0.168 4.173 4.340 0.001 0.000 0.234 155 R C 2.452 178.881 176.300 0.216 0.000 1.134 155 R CA 2.158 58.448 56.100 0.318 0.000 0.952 155 R CB -0.527 29.877 30.300 0.173 0.000 0.850 155 R HN 0.495 8.765 8.270 0.000 0.000 0.433 156 T N 0.619 115.248 114.554 0.124 0.000 2.708 156 T HA -0.166 4.185 4.350 0.001 0.000 0.266 156 T C 1.318 176.014 174.700 -0.007 0.000 1.037 156 T CA 1.569 63.696 62.100 0.044 0.000 1.146 156 T CB -0.358 68.520 68.868 0.016 0.000 0.865 156 T HN 0.292 8.532 8.240 0.000 0.000 0.435 157 F N 1.015 120.837 119.950 -0.215 0.000 2.069 157 F HA -0.080 4.448 4.527 0.001 0.000 0.298 157 F C 1.693 177.388 175.800 -0.176 0.000 1.113 157 F CA 1.302 59.126 58.000 -0.293 0.000 1.214 157 F CB -0.504 38.175 39.000 -0.535 0.000 0.978 157 F HN 0.103 8.403 8.300 0.000 0.000 0.474 158 F N 0.488 120.479 119.950 0.068 0.000 2.408 158 F HA -0.156 4.372 4.527 0.001 0.000 0.300 158 F C 2.444 178.222 175.800 -0.038 0.000 1.090 158 F CA 1.028 59.057 58.000 0.048 0.000 1.427 158 F CB -0.656 38.478 39.000 0.223 0.000 1.070 158 F HN 0.077 8.377 8.300 0.000 0.000 0.549 159 Q N 0.088 119.940 119.800 0.088 0.000 2.167 159 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 159 Q C 2.346 178.298 176.000 -0.080 0.000 0.970 159 Q CA 0.874 56.699 55.803 0.036 0.000 0.855 159 Q CB -0.391 28.367 28.738 0.034 0.000 0.911 159 Q HN 0.360 8.630 8.270 0.000 0.000 0.438 160 R N 0.113 120.480 120.500 -0.223 0.000 2.241 160 R HA -0.044 4.297 4.340 0.001 0.000 0.224 160 R C 1.127 177.262 176.300 -0.275 0.000 1.101 160 R CA 0.634 56.534 56.100 -0.333 0.000 0.995 160 R CB 0.099 30.143 30.300 -0.427 0.000 0.870 160 R HN 0.203 8.473 8.270 0.000 0.000 0.463 161 L N 0.106 121.280 121.223 -0.082 0.000 2.818 161 L HA 0.192 4.532 4.340 0.001 0.000 0.243 161 L C -0.080 176.974 176.870 0.306 0.000 1.185 161 L CA -0.318 54.661 54.840 0.231 0.000 0.988 161 L CB 0.137 42.359 42.059 0.271 0.000 1.292 161 L HN 0.134 8.364 8.230 0.000 0.000 0.519 162 N N 0.512 119.314 118.700 0.170 0.000 2.747 162 N HA -0.163 4.578 4.740 0.001 0.000 0.249 162 N C -0.360 175.246 175.510 0.159 0.000 1.107 162 N CA 0.863 54.010 53.050 0.162 0.000 0.707 162 N CB -0.392 38.233 38.487 0.229 0.000 1.054 162 N HN 0.132 8.512 8.380 0.000 0.000 0.555 163 M N 0.400 120.118 119.600 0.196 0.000 2.336 163 M HA 0.324 4.804 4.480 0.001 0.000 0.342 163 M C 0.828 177.213 176.300 0.141 0.000 1.128 163 M CA -0.685 54.718 55.300 0.170 0.000 1.016 163 M CB 1.347 34.090 32.600 0.239 0.000 1.665 163 M HN 0.264 8.554 8.290 0.000 0.000 0.445 164 N N 1.491 120.250 118.700 0.098 0.000 2.443 164 N HA 0.172 4.913 4.740 0.001 0.000 0.294 164 N C 0.166 175.746 175.510 0.117 0.000 1.289 164 N CA -0.187 52.921 53.050 0.097 0.000 0.966 164 N CB 0.284 38.814 38.487 0.072 0.000 1.122 164 N HN 0.373 8.753 8.380 0.000 0.000 0.569 165 D N -0.795 119.690 120.400 0.142 0.000 2.117 165 D HA -0.146 4.494 4.640 0.001 0.000 0.197 165 D C 1.821 178.234 176.300 0.189 0.000 0.987 165 D CA 1.239 55.390 54.000 0.252 0.000 0.829 165 D CB -0.219 40.693 40.800 0.186 0.000 0.961 165 D HN 0.676 9.046 8.370 0.000 0.000 0.460 166 R N 1.151 121.724 120.500 0.122 0.000 2.081 166 R HA -0.128 4.213 4.340 0.001 0.000 0.235 166 R C 1.789 178.166 176.300 0.129 0.000 1.131 166 R CA 1.391 57.563 56.100 0.121 0.000 0.960 166 R CB -0.026 30.334 30.300 0.101 0.000 0.856 166 R HN 0.167 8.437 8.270 0.000 0.000 0.436 167 E N 0.092 120.334 120.200 0.069 0.000 2.072 167 E HA -0.138 4.213 4.350 0.001 0.000 0.191 167 E C 2.084 178.624 176.600 -0.100 0.000 0.985 167 E CA 1.417 57.824 56.400 0.013 0.000 0.801 167 E CB -0.003 29.701 29.700 0.006 0.000 0.750 167 E HN 0.134 8.494 8.360 0.000 0.000 0.452 168 V N 1.108 120.909 119.914 -0.187 0.000 2.255 168 V HA -0.262 3.859 4.120 0.001 0.000 0.247 168 V C 2.360 178.256 176.094 -0.330 0.000 1.051 168 V CA 1.562 63.572 62.300 -0.484 0.000 1.018 168 V CB -0.432 31.140 31.823 -0.419 0.000 0.641 168 V HN 0.144 8.334 8.190 0.000 0.000 0.445 169 V N 0.265 120.094 119.914 -0.143 0.000 2.332 169 V HA -0.280 3.841 4.120 0.001 0.000 0.248 169 V C 2.688 178.952 176.094 0.283 0.000 1.055 169 V CA 2.092 64.409 62.300 0.029 0.000 1.038 169 V CB -1.248 30.624 31.823 0.081 0.000 0.651 169 V HN 0.570 8.760 8.190 0.000 0.000 0.450 170 A N -0.301 122.724 122.820 0.341 0.000 1.877 170 A HA -0.157 4.164 4.320 0.001 0.000 0.216 170 A C 2.227 180.087 177.584 0.459 0.000 1.186 170 A CA 1.813 54.122 52.037 0.454 0.000 0.620 170 A CB -0.575 18.607 19.000 0.304 0.000 0.822 170 A HN 0.494 8.644 8.150 0.000 0.000 0.443 171 L N -1.863 119.429 121.223 0.114 0.000 2.131 171 L HA -0.155 4.186 4.340 0.001 0.000 0.210 171 L C 2.663 179.469 176.870 -0.108 0.000 1.092 171 L CA 1.431 56.273 54.840 0.004 0.000 0.759 171 L CB -0.317 41.617 42.059 -0.209 0.000 0.903 171 L HN 0.416 8.646 8.230 0.000 0.000 0.435 172 M N -0.187 119.246 119.600 -0.278 0.000 2.476 172 M HA -0.019 4.462 4.480 0.001 0.000 0.262 172 M C 1.823 177.520 176.300 -1.005 0.000 1.079 172 M CA 0.933 55.855 55.300 -0.629 0.000 1.104 172 M CB -0.395 31.910 32.600 -0.491 0.000 1.409 172 M HN 0.113 8.403 8.290 0.000 0.000 0.467 173 G N -0.960 107.488 108.800 -0.586 0.000 2.708 173 G HA2 0.041 4.002 3.960 0.001 0.000 0.210 173 G HA3 0.041 4.002 3.960 0.001 0.000 0.210 173 G C 1.326 175.819 174.900 -0.678 0.000 1.141 173 G CA 0.655 45.201 45.100 -0.922 0.000 0.788 173 G HN 0.580 8.870 8.290 0.000 0.000 0.531 174 A N -0.423 122.117 122.820 -0.467 0.000 2.169 174 A HA 0.134 4.454 4.320 0.001 0.000 0.212 174 A C 1.689 179.117 177.584 -0.259 0.000 1.153 174 A CA 0.438 52.282 52.037 -0.322 0.000 0.756 174 A CB -0.514 18.445 19.000 -0.069 0.000 0.813 174 A HN 0.581 8.731 8.150 0.000 0.000 0.471 175 H N -0.972 117.723 119.070 -0.626 0.000 2.561 175 H HA 0.053 4.610 4.556 0.001 0.000 0.278 175 H C 2.200 177.374 175.328 -0.256 0.000 1.014 175 H CA 0.272 56.042 56.048 -0.462 0.000 1.211 175 H CB 0.250 29.691 29.762 -0.534 0.000 1.365 175 H HN 0.596 8.876 8.280 0.000 0.000 0.594 176 A N 0.884 123.576 122.820 -0.213 0.000 2.014 176 A HA 0.013 4.334 4.320 0.001 0.000 0.218 176 A C 1.055 178.546 177.584 -0.154 0.000 1.163 176 A CA 0.260 52.205 52.037 -0.154 0.000 0.652 176 A CB -0.160 18.684 19.000 -0.259 0.000 0.808 176 A HN 0.172 8.322 8.150 0.000 0.000 0.449 177 L N -0.822 120.306 121.223 -0.158 0.000 2.395 177 L HA 0.499 4.839 4.340 0.001 0.000 0.269 177 L C 1.513 178.347 176.870 -0.060 0.000 1.133 177 L CA 0.177 54.961 54.840 -0.093 0.000 0.812 177 L CB 0.182 42.205 42.059 -0.060 0.000 1.125 177 L HN 0.581 8.811 8.230 0.000 0.000 0.452 178 G N 2.553 111.331 108.800 -0.037 0.000 2.582 178 G HA2 -0.291 3.669 3.960 0.001 0.000 0.288 178 G HA3 -0.291 3.669 3.960 0.001 0.000 0.288 178 G C -0.400 174.444 174.900 -0.093 0.000 1.247 178 G CA 0.655 45.735 45.100 -0.034 0.000 0.972 178 G HN 1.060 9.350 8.290 0.000 0.000 0.557 179 K N -2.288 118.024 120.400 -0.146 0.000 2.735 179 K HA 0.593 4.914 4.320 0.001 0.000 0.295 179 K C -0.466 175.921 176.600 -0.354 0.000 1.052 179 K CA -0.162 55.982 56.287 -0.240 0.000 0.853 179 K CB 0.526 32.861 32.500 -0.275 0.000 1.535 179 K HN 1.405 9.655 8.250 0.000 0.000 0.383 180 T N -0.868 113.513 114.554 -0.288 0.000 2.922 180 T HA 0.487 4.838 4.350 0.001 0.000 0.285 180 T C -0.718 173.808 174.700 -0.290 0.000 1.005 180 T CA -0.415 61.590 62.100 -0.158 0.000 1.061 180 T CB 0.495 69.362 68.868 -0.001 0.000 1.007 180 T HN 0.598 8.838 8.240 0.000 0.000 0.502 181 H N 1.199 120.294 119.070 0.041 0.000 2.744 181 H HA 0.409 4.966 4.556 0.001 0.000 0.339 181 H C 0.657 176.001 175.328 0.028 0.000 1.004 181 H CA -0.870 55.189 56.048 0.019 0.000 1.257 181 H CB 1.536 31.297 29.762 -0.002 0.000 1.552 181 H HN 0.488 8.768 8.280 0.000 0.000 0.522 182 L N 1.916 123.205 121.223 0.110 0.000 2.030 182 L HA -0.294 4.046 4.340 0.001 0.000 0.222 182 L C 1.881 178.777 176.870 0.043 0.000 1.082 182 L CA 1.851 56.721 54.840 0.050 0.000 0.785 182 L CB -0.090 41.977 42.059 0.014 0.000 0.895 182 L HN 0.543 8.773 8.230 0.000 0.000 0.439 183 K N -0.621 119.813 120.400 0.057 0.000 2.147 183 K HA -0.098 4.223 4.320 0.001 0.000 0.205 183 K C 1.891 178.513 176.600 0.036 0.000 1.049 183 K CA 1.222 57.530 56.287 0.034 0.000 0.936 183 K CB -0.625 31.891 32.500 0.026 0.000 0.722 183 K HN 0.456 8.706 8.250 0.000 0.000 0.446 184 N N 0.325 119.065 118.700 0.066 0.000 2.182 184 N HA -0.075 4.666 4.740 0.001 0.000 0.186 184 N C 1.674 177.236 175.510 0.086 0.000 1.036 184 N CA 1.753 54.841 53.050 0.063 0.000 0.850 184 N CB -0.127 38.401 38.487 0.068 0.000 1.010 184 N HN 0.223 8.603 8.380 0.000 0.000 0.432 185 S N -1.898 113.879 115.700 0.129 0.000 2.603 185 S HA 0.377 4.847 4.470 0.001 0.000 0.232 185 S C 1.174 175.824 174.600 0.084 0.000 1.016 185 S CA 0.390 58.691 58.200 0.167 0.000 0.976 185 S CB 0.845 64.215 63.200 0.283 0.000 0.921 185 S HN 0.427 8.737 8.310 0.000 0.000 0.516 186 G N 0.369 109.151 108.800 -0.029 0.000 2.136 186 G HA2 -0.235 3.726 3.960 0.001 0.000 0.242 186 G HA3 -0.235 3.726 3.960 0.001 0.000 0.242 186 G C -0.312 174.282 174.900 -0.510 0.000 0.989 186 G CA 0.362 45.319 45.100 -0.238 0.000 0.682 186 G HN 0.577 8.867 8.290 0.000 0.000 0.522 187 Y N -0.860 119.448 120.300 0.014 0.000 2.512 187 Y HA 0.719 5.269 4.550 0.001 0.000 0.348 187 Y C 0.034 175.927 175.900 -0.011 0.000 0.990 187 Y CA -1.207 56.893 58.100 0.000 0.000 1.033 187 Y CB 2.355 40.816 38.460 0.001 0.000 1.259 187 Y HN 0.151 8.431 8.280 0.000 0.000 0.461 188 E N 0.854 121.137 120.200 0.138 0.000 2.304 188 E HA 0.704 5.055 4.350 0.001 0.000 0.277 188 E C -0.650 175.973 176.600 0.038 0.000 0.898 188 E CA -0.198 56.231 56.400 0.048 0.000 0.764 188 E CB 1.969 31.683 29.700 0.024 0.000 1.216 188 E HN 0.947 9.307 8.360 0.000 0.000 0.419 189 G N 3.478 112.267 108.800 -0.018 0.000 2.406 189 G HA2 0.095 4.056 3.960 0.001 0.000 0.680 189 G HA3 0.095 4.056 3.960 0.001 0.000 0.680 189 G C -3.050 171.836 174.900 -0.022 0.000 1.338 189 G CA -0.497 44.605 45.100 0.004 0.000 0.941 189 G HN 0.481 8.771 8.290 0.000 0.000 0.633 190 P HA 0.483 4.903 4.420 0.000 0.000 0.281 190 P C 0.749 178.083 177.300 0.058 0.000 1.281 190 P CA 0.389 63.489 63.100 0.000 0.000 0.811 190 P CB 1.525 33.248 31.700 0.037 0.000 1.154 191 G N -1.600 107.183 108.800 -0.028 0.000 3.159 191 G HA2 0.500 4.461 3.960 0.001 0.000 0.232 191 G HA3 0.500 4.461 3.960 0.001 0.000 0.232 191 G C 0.441 175.128 174.900 -0.354 0.000 1.116 191 G CA 0.191 45.271 45.100 -0.033 0.000 0.767 191 G HN 0.850 9.140 8.290 0.000 0.000 0.547 192 G N -1.804 106.630 108.800 -0.609 0.000 2.427 192 G HA2 0.519 4.479 3.960 0.001 0.000 0.306 192 G HA3 0.519 4.479 3.960 0.001 0.000 0.306 192 G C 0.492 175.080 174.900 -0.521 0.000 1.280 192 G CA 0.154 44.573 45.100 -1.136 0.000 0.837 192 G HN 0.518 8.808 8.290 0.000 0.000 0.482 193 A N -0.723 121.924 122.820 -0.287 0.000 1.903 193 A HA 0.588 4.908 4.320 0.001 0.000 0.213 193 A C 1.849 179.421 177.584 -0.021 0.000 1.185 193 A CA 2.107 54.136 52.037 -0.014 0.000 0.628 193 A CB -0.537 18.503 19.000 0.066 0.000 0.830 193 A HN 2.028 10.178 8.150 0.000 0.000 0.446 194 A N 1.258 124.048 122.820 -0.049 0.000 3.078 194 A HA 0.353 4.674 4.320 0.001 0.000 0.279 194 A C 0.466 178.023 177.584 -0.044 0.000 1.594 194 A CA 0.005 52.028 52.037 -0.025 0.000 1.301 194 A CB -1.469 17.523 19.000 -0.014 0.000 1.162 194 A HN 0.738 8.888 8.150 0.000 0.000 0.585 195 N N 0.370 119.050 118.700 -0.033 0.000 2.370 195 N HA -0.049 4.692 4.740 0.001 0.000 0.198 195 N C 0.390 175.889 175.510 -0.019 0.000 1.156 195 N CA 0.387 53.411 53.050 -0.044 0.000 0.839 195 N CB 0.094 38.547 38.487 -0.055 0.000 0.989 195 N HN 0.475 8.855 8.380 0.000 0.000 0.468 196 N N -0.453 118.250 118.700 0.005 0.000 2.232 196 N HA 0.082 4.823 4.740 0.001 0.000 0.240 196 N C -1.284 174.255 175.510 0.048 0.000 1.307 196 N CA -0.325 52.743 53.050 0.029 0.000 0.859 196 N CB 0.518 39.030 38.487 0.042 0.000 1.260 196 N HN -0.015 8.365 8.380 0.000 0.000 0.501 197 V N 0.816 120.758 119.914 0.046 0.000 2.789 197 V HA 0.477 4.598 4.120 0.001 0.000 0.311 197 V C -1.066 175.081 176.094 0.089 0.000 1.073 197 V CA -0.981 61.370 62.300 0.086 0.000 0.921 197 V CB 1.994 33.867 31.823 0.083 0.000 1.009 197 V HN 0.109 8.299 8.190 0.000 0.000 0.426 198 F N 4.301 124.246 119.950 -0.009 0.000 2.413 198 F HA 0.598 5.126 4.527 0.001 0.000 0.359 198 F C 0.653 176.574 175.800 0.201 0.000 1.122 198 F CA 0.386 58.368 58.000 -0.030 0.000 1.160 198 F CB 0.707 39.559 39.000 -0.246 0.000 1.146 198 F HN 0.758 9.058 8.300 0.000 0.000 0.514 199 T N 0.667 115.239 114.554 0.030 0.000 2.754 199 T HA 0.248 4.598 4.350 0.001 0.000 0.296 199 T C 0.143 174.939 174.700 0.161 0.000 1.205 199 T CA -0.805 61.443 62.100 0.247 0.000 1.009 199 T CB 1.224 70.149 68.868 0.096 0.000 1.368 199 T HN 0.591 8.831 8.240 0.000 0.000 0.509 200 N N -0.641 118.156 118.700 0.162 0.000 2.362 200 N HA 0.064 4.805 4.740 0.001 0.000 0.211 200 N C 1.147 176.645 175.510 -0.020 0.000 1.170 200 N CA -0.353 52.718 53.050 0.035 0.000 0.828 200 N CB 0.177 38.739 38.487 0.124 0.000 1.034 200 N HN 0.708 9.088 8.380 0.000 0.000 0.475 201 E N 0.802 120.964 120.200 -0.063 0.000 2.130 201 E HA -0.270 4.081 4.350 0.001 0.000 0.196 201 E C 1.206 177.738 176.600 -0.113 0.000 0.998 201 E CA 1.132 57.485 56.400 -0.078 0.000 0.806 201 E CB -0.137 29.502 29.700 -0.102 0.000 0.738 201 E HN 0.578 8.938 8.360 0.000 0.000 0.459 202 F N 0.304 120.005 119.950 -0.416 0.000 2.091 202 F HA -0.299 4.229 4.527 0.001 0.000 0.299 202 F C 1.662 177.200 175.800 -0.435 0.000 1.103 202 F CA 1.807 59.499 58.000 -0.512 0.000 1.228 202 F CB -0.415 38.125 39.000 -0.767 0.000 0.984 202 F HN 0.081 8.381 8.300 0.000 0.000 0.477 203 Y N 0.310 120.557 120.300 -0.088 0.000 2.181 203 Y HA -0.182 4.369 4.550 0.001 0.000 0.288 203 Y C 2.372 178.197 175.900 -0.125 0.000 1.146 203 Y CA 1.504 59.518 58.100 -0.143 0.000 1.164 203 Y CB -1.178 37.246 38.460 -0.059 0.000 0.982 203 Y HN 0.057 8.337 8.280 0.000 0.000 0.515 204 L N -0.159 121.092 121.223 0.047 0.000 2.012 204 L HA -0.267 4.074 4.340 0.001 0.000 0.210 204 L C 2.093 178.981 176.870 0.031 0.000 1.073 204 L CA 1.480 56.340 54.840 0.032 0.000 0.748 204 L CB -0.615 41.459 42.059 0.026 0.000 0.891 204 L HN 0.229 8.459 8.230 0.000 0.000 0.431 205 N N 0.064 118.771 118.700 0.012 0.000 2.120 205 N HA -0.144 4.597 4.740 0.001 0.000 0.188 205 N C 1.938 177.641 175.510 0.322 0.000 1.024 205 N CA 1.181 54.314 53.050 0.138 0.000 0.852 205 N CB -0.404 38.159 38.487 0.128 0.000 1.003 205 N HN 0.239 8.619 8.380 0.000 0.000 0.424 206 L N 0.370 121.620 121.223 0.045 0.000 2.046 206 L HA -0.107 4.234 4.340 0.001 0.000 0.208 206 L C 2.078 179.045 176.870 0.162 0.000 1.077 206 L CA 0.878 55.726 54.840 0.012 0.000 0.747 206 L CB -0.299 41.534 42.059 -0.376 0.000 0.896 206 L HN 0.161 8.391 8.230 0.000 0.000 0.432 207 L N -0.860 120.403 121.223 0.068 0.000 2.072 207 L HA -0.158 4.183 4.340 0.001 0.000 0.205 207 L C 1.816 178.739 176.870 0.088 0.000 1.079 207 L CA 1.523 56.399 54.840 0.061 0.000 0.752 207 L CB -0.466 41.607 42.059 0.022 0.000 0.906 207 L HN 0.354 8.584 8.230 0.000 0.000 0.436 208 N N -1.373 117.376 118.700 0.081 0.000 2.424 208 N HA -0.013 4.728 4.740 0.001 0.000 0.178 208 N C 0.353 175.840 175.510 -0.038 0.000 1.060 208 N CA 0.012 53.079 53.050 0.028 0.000 0.901 208 N CB 0.410 38.907 38.487 0.015 0.000 0.979 208 N HN 0.258 8.638 8.380 0.000 0.000 0.451 209 E N 0.986 121.126 120.200 -0.101 0.000 2.280 209 E HA 0.067 4.417 4.350 0.001 0.000 0.261 209 E C -0.838 175.492 176.600 -0.451 0.000 1.088 209 E CA -0.152 55.987 56.400 -0.435 0.000 0.915 209 E CB 0.940 30.049 29.700 -0.986 0.000 1.141 209 E HN 0.040 8.400 8.360 0.000 0.000 0.433 210 D N 0.788 120.904 120.400 -0.474 0.000 2.477 210 D HA 0.169 4.810 4.640 0.001 0.000 0.239 210 D C -1.273 174.882 176.300 -0.242 0.000 1.102 210 D CA -0.472 53.394 54.000 -0.224 0.000 0.901 210 D CB -0.068 40.656 40.800 -0.128 0.000 1.026 210 D HN 0.177 8.547 8.370 0.000 0.000 0.515 211 W N 3.833 125.209 121.300 0.127 0.000 2.272 211 W HA 0.405 5.066 4.660 0.001 0.000 0.318 211 W C 0.533 177.210 176.519 0.263 0.000 1.255 211 W CA -0.780 56.681 57.345 0.192 0.000 1.200 211 W CB 0.992 30.571 29.460 0.197 0.000 1.170 211 W HN -0.090 8.090 8.180 0.000 0.000 0.549 212 K N 3.489 124.160 120.400 0.452 0.000 2.378 212 K HA 0.403 4.723 4.320 0.001 0.000 0.252 212 K C -1.275 175.273 176.600 -0.086 0.000 0.931 212 K CA -1.402 55.007 56.287 0.203 0.000 0.794 212 K CB 2.520 35.063 32.500 0.072 0.000 1.181 212 K HN 0.395 8.645 8.250 0.000 0.000 0.425 213 L N 2.852 123.780 121.223 -0.493 0.000 2.319 213 L HA 0.208 4.548 4.340 0.001 0.000 0.280 213 L C -0.375 176.222 176.870 -0.455 0.000 1.099 213 L CA 0.867 55.134 54.840 -0.955 0.000 0.828 213 L CB 0.231 41.467 42.059 -1.371 0.000 1.150 213 L HN 0.591 8.821 8.230 0.000 0.000 0.442 214 E N 3.547 123.526 120.200 -0.369 0.000 2.449 214 E HA 0.453 4.803 4.350 0.001 0.000 0.278 214 E C -1.354 175.142 176.600 -0.173 0.000 0.992 214 E CA -1.176 55.100 56.400 -0.206 0.000 0.807 214 E CB 1.615 31.243 29.700 -0.119 0.000 1.350 214 E HN 0.396 8.756 8.360 0.000 0.000 0.462 215 K N 1.051 121.378 120.400 -0.121 0.000 2.098 215 K HA 0.303 4.623 4.320 0.001 0.000 0.258 215 K C -0.265 176.288 176.600 -0.078 0.000 0.973 215 K CA -0.632 55.596 56.287 -0.100 0.000 0.898 215 K CB 0.730 33.178 32.500 -0.087 0.000 1.057 215 K HN 0.463 8.713 8.250 0.000 0.000 0.447 216 N N -0.380 118.271 118.700 -0.082 0.000 2.671 216 N HA 0.142 4.883 4.740 0.001 0.000 0.303 216 N C -0.117 175.348 175.510 -0.074 0.000 1.277 216 N CA -0.601 52.407 53.050 -0.069 0.000 0.933 216 N CB 0.374 38.823 38.487 -0.064 0.000 1.190 216 N HN 0.338 8.718 8.380 0.000 0.000 0.600 217 D N -0.859 119.504 120.400 -0.061 0.000 2.351 217 D HA -0.072 4.569 4.640 0.001 0.000 0.216 217 D C 0.877 177.136 176.300 -0.069 0.000 0.968 217 D CA 1.113 55.080 54.000 -0.055 0.000 0.899 217 D CB -0.266 40.511 40.800 -0.039 0.000 0.907 217 D HN 0.678 9.048 8.370 0.000 0.000 0.514 218 A N 0.368 123.127 122.820 -0.102 0.000 2.308 218 A HA 0.070 4.391 4.320 0.001 0.000 0.217 218 A C 0.875 178.384 177.584 -0.125 0.000 1.216 218 A CA 0.166 52.131 52.037 -0.119 0.000 0.864 218 A CB -0.229 18.673 19.000 -0.164 0.000 0.902 218 A HN 0.153 8.303 8.150 0.000 0.000 0.499 219 N N -0.578 118.054 118.700 -0.113 0.000 2.815 219 N HA -0.126 4.614 4.740 0.001 0.000 0.249 219 N C -1.142 174.298 175.510 -0.116 0.000 1.114 219 N CA 0.867 53.858 53.050 -0.098 0.000 0.717 219 N CB -1.608 36.834 38.487 -0.074 0.000 1.074 219 N HN 0.535 8.915 8.380 0.000 0.000 0.555 220 N N 0.570 119.171 118.700 -0.165 0.000 2.362 220 N HA 0.307 5.048 4.740 0.001 0.000 0.299 220 N C -0.706 174.743 175.510 -0.101 0.000 1.170 220 N CA -0.398 52.548 53.050 -0.174 0.000 0.825 220 N CB 1.022 39.249 38.487 -0.433 0.000 1.299 220 N HN 0.213 8.593 8.380 0.000 0.000 0.502 221 E N 0.856 121.040 120.200 -0.026 0.000 2.277 221 E HA 0.259 4.610 4.350 0.001 0.000 0.274 221 E C -0.332 176.293 176.600 0.043 0.000 1.022 221 E CA -0.450 55.916 56.400 -0.057 0.000 0.853 221 E CB 1.326 30.956 29.700 -0.118 0.000 1.086 221 E HN 0.478 8.838 8.360 0.000 0.000 0.397 222 Q N 1.087 120.832 119.800 -0.091 0.000 2.482 222 Q HA 0.382 4.722 4.340 0.001 0.000 0.286 222 Q C -1.564 174.289 176.000 -0.245 0.000 1.007 222 Q CA -1.024 54.766 55.803 -0.022 0.000 0.801 222 Q CB 0.971 29.818 28.738 0.182 0.000 1.455 222 Q HN 0.418 8.688 8.270 0.000 0.000 0.398 223 W N 1.526 122.795 121.300 -0.052 0.000 2.335 223 W HA 0.432 5.092 4.660 0.001 0.000 0.307 223 W C -0.794 175.849 176.519 0.207 0.000 1.117 223 W CA 0.138 57.452 57.345 -0.053 0.000 1.228 223 W CB 1.260 30.495 29.460 -0.375 0.000 1.240 223 W HN 0.445 8.625 8.180 0.000 0.000 0.468 224 D N 1.668 122.330 120.400 0.437 0.000 2.362 224 D HA 0.343 4.984 4.640 0.001 0.000 0.247 224 D C -0.357 176.126 176.300 0.304 0.000 1.050 224 D CA -0.438 53.786 54.000 0.373 0.000 0.839 224 D CB 2.046 42.930 40.800 0.140 0.000 1.283 224 D HN 0.205 8.575 8.370 0.000 0.000 0.477 225 S N -0.274 115.477 115.700 0.085 0.000 2.621 225 S HA 0.335 4.806 4.470 0.001 0.000 0.302 225 S C 1.156 175.609 174.600 -0.244 0.000 1.093 225 S CA -0.547 57.472 58.200 -0.302 0.000 1.017 225 S CB 2.035 64.698 63.200 -0.894 0.000 1.077 225 S HN 0.247 8.557 8.310 0.000 0.000 0.517 226 K N 1.285 121.521 120.400 -0.275 0.000 2.147 226 K HA -0.011 4.309 4.320 0.001 0.000 0.205 226 K C 1.808 178.233 176.600 -0.291 0.000 1.049 226 K CA 1.682 57.834 56.287 -0.225 0.000 0.936 226 K CB -1.899 30.495 32.500 -0.178 0.000 0.722 226 K HN 0.649 8.899 8.250 0.000 0.000 0.446 227 S N 0.113 115.540 115.700 -0.455 0.000 2.547 227 S HA 0.218 4.689 4.470 0.001 0.000 0.235 227 S C 1.539 175.737 174.600 -0.670 0.000 0.980 227 S CA 0.762 58.584 58.200 -0.631 0.000 0.941 227 S CB -0.434 62.153 63.200 -1.022 0.000 0.763 227 S HN 1.104 9.414 8.310 0.000 0.000 0.532 228 G N 0.095 108.617 108.800 -0.463 0.000 2.131 228 G HA2 -0.220 3.741 3.960 0.001 0.000 0.223 228 G HA3 -0.220 3.741 3.960 0.001 0.000 0.223 228 G C -0.213 174.631 174.900 -0.094 0.000 0.990 228 G CA -0.262 44.690 45.100 -0.247 0.000 0.671 228 G HN 0.409 8.699 8.290 0.000 0.000 0.521 229 Y N -0.361 119.950 120.300 0.018 0.000 2.458 229 Y HA 0.854 5.405 4.550 0.001 0.000 0.322 229 Y C 0.594 176.677 175.900 0.305 0.000 1.259 229 Y CA -1.252 56.925 58.100 0.128 0.000 1.302 229 Y CB 1.107 39.664 38.460 0.162 0.000 1.314 229 Y HN 0.413 8.693 8.280 0.000 0.000 0.509 230 M N 0.820 120.737 119.600 0.528 0.000 2.658 230 M HA 0.831 5.312 4.480 0.001 0.000 0.295 230 M C -1.638 174.783 176.300 0.201 0.000 1.248 230 M CA -0.891 54.656 55.300 0.413 0.000 0.843 230 M CB 2.357 35.092 32.600 0.225 0.000 1.749 230 M HN 0.326 8.616 8.290 0.000 0.000 0.464 231 M N 2.213 121.818 119.600 0.009 0.000 2.378 231 M HA 0.549 5.030 4.480 0.001 0.000 0.289 231 M C -1.406 174.878 176.300 -0.026 0.000 1.136 231 M CA -0.413 54.779 55.300 -0.181 0.000 0.917 231 M CB 2.196 34.421 32.600 -0.625 0.000 1.669 231 M HN 0.927 9.217 8.290 0.000 0.000 0.461 232 L N 3.194 124.386 121.223 -0.051 0.000 2.468 232 L HA 0.287 4.628 4.340 0.001 0.000 0.254 232 L C -1.241 175.681 176.870 0.087 0.000 1.171 232 L CA -1.439 53.344 54.840 -0.093 0.000 0.809 232 L CB 0.196 42.126 42.059 -0.215 0.000 1.155 232 L HN 0.448 8.678 8.230 0.000 0.000 0.473 233 P HA -0.170 4.250 4.420 0.000 0.000 0.215 233 P C 1.481 178.884 177.300 0.172 0.000 1.157 233 P CA 1.667 64.932 63.100 0.276 0.000 0.874 233 P CB -0.155 31.681 31.700 0.226 0.000 0.790 234 T N -3.404 111.212 114.554 0.104 0.000 2.833 234 T HA -0.159 4.191 4.350 0.001 0.000 0.269 234 T C 1.402 176.159 174.700 0.095 0.000 1.054 234 T CA 1.461 63.631 62.100 0.116 0.000 1.135 234 T CB -0.977 67.968 68.868 0.128 0.000 0.869 234 T HN 0.068 8.308 8.240 0.000 0.000 0.466 235 D N 0.023 120.477 120.400 0.092 0.000 2.137 235 D HA -0.012 4.629 4.640 0.001 0.000 0.202 235 D C 1.755 178.004 176.300 -0.085 0.000 0.970 235 D CA 0.848 54.907 54.000 0.097 0.000 0.837 235 D CB -0.516 40.377 40.800 0.156 0.000 0.981 235 D HN 0.403 8.773 8.370 0.000 0.000 0.475 236 Y N 2.281 122.401 120.300 -0.301 0.000 2.207 236 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 236 Y C 2.546 178.257 175.900 -0.314 0.000 1.156 236 Y CA 1.688 59.472 58.100 -0.526 0.000 1.182 236 Y CB -0.439 37.452 38.460 -0.947 0.000 0.979 236 Y HN -0.039 8.241 8.280 0.000 0.000 0.521 237 S N -0.132 115.518 115.700 -0.082 0.000 2.420 237 S HA -0.226 4.245 4.470 0.001 0.000 0.237 237 S C 1.887 176.468 174.600 -0.032 0.000 1.023 237 S CA 1.583 59.771 58.200 -0.020 0.000 0.991 237 S CB -1.019 62.254 63.200 0.121 0.000 0.792 237 S HN 0.555 8.865 8.310 0.000 0.000 0.488 238 L N 0.956 122.120 121.223 -0.097 0.000 2.456 238 L HA 0.069 4.410 4.340 0.001 0.000 0.224 238 L C 2.145 178.954 176.870 -0.103 0.000 1.148 238 L CA 1.159 55.957 54.840 -0.070 0.000 0.825 238 L CB -0.711 41.281 42.059 -0.112 0.000 0.937 238 L HN 0.582 8.812 8.230 0.000 0.000 0.450 239 I N -4.979 115.410 120.570 -0.302 0.000 4.018 239 I HA 0.026 4.197 4.170 0.001 0.000 0.337 239 I C 1.779 177.725 176.117 -0.285 0.000 1.327 239 I CA 0.124 61.230 61.300 -0.324 0.000 1.100 239 I CB -0.010 37.720 38.000 -0.450 0.000 1.025 239 I HN 0.129 8.339 8.210 0.000 0.000 0.396 240 Q N 1.242 120.896 119.800 -0.243 0.000 2.302 240 Q HA 0.094 4.435 4.340 0.001 0.000 0.202 240 Q C 0.497 176.467 176.000 -0.050 0.000 0.936 240 Q CA 0.520 56.236 55.803 -0.144 0.000 0.886 240 Q CB 0.342 29.021 28.738 -0.099 0.000 0.986 240 Q HN 0.497 8.767 8.270 0.000 0.000 0.487 241 D N 0.410 120.810 120.400 0.000 0.000 2.225 241 D HA 0.073 4.714 4.640 0.001 0.000 0.248 241 D C -1.979 174.306 176.300 -0.025 0.000 1.096 241 D CA -2.205 51.787 54.000 -0.014 0.000 0.863 241 D CB 1.835 42.628 40.800 -0.012 0.000 1.156 241 D HN -0.156 8.214 8.370 0.000 0.000 0.450 242 P HA -0.069 4.351 4.420 0.000 0.000 0.217 242 P C 0.877 178.145 177.300 -0.054 0.000 1.150 242 P CA 1.199 64.269 63.100 -0.050 0.000 0.832 242 P CB 0.482 32.151 31.700 -0.052 0.000 0.787 243 K N -1.739 118.602 120.400 -0.099 0.000 2.062 243 K HA -0.102 4.219 4.320 0.001 0.000 0.205 243 K C 2.211 178.813 176.600 0.003 0.000 1.051 243 K CA 1.101 57.331 56.287 -0.094 0.000 0.941 243 K CB -0.622 31.770 32.500 -0.180 0.000 0.719 243 K HN 0.041 8.291 8.250 0.000 0.000 0.440 244 Y N 0.908 121.183 120.300 -0.042 0.000 2.145 244 Y HA -0.170 4.381 4.550 0.001 0.000 0.286 244 Y C 2.111 177.968 175.900 -0.072 0.000 1.145 244 Y CA 0.546 58.620 58.100 -0.044 0.000 1.148 244 Y CB -0.867 37.579 38.460 -0.024 0.000 0.981 244 Y HN 0.004 8.284 8.280 0.000 0.000 0.507 245 L N 0.172 121.449 121.223 0.089 0.000 2.081 245 L HA -0.241 4.099 4.340 0.001 0.000 0.212 245 L C 2.206 179.048 176.870 -0.046 0.000 1.080 245 L CA 2.437 57.272 54.840 -0.009 0.000 0.754 245 L CB -0.933 41.100 42.059 -0.044 0.000 0.893 245 L HN 0.183 8.413 8.230 0.000 0.000 0.433 246 S N -0.826 114.845 115.700 -0.049 0.000 2.428 246 S HA -0.041 4.429 4.470 0.001 0.000 0.230 246 S C 1.927 176.435 174.600 -0.153 0.000 1.014 246 S CA 1.347 59.496 58.200 -0.086 0.000 0.957 246 S CB -0.732 62.423 63.200 -0.075 0.000 0.784 246 S HN 0.563 8.873 8.310 0.000 0.000 0.499 247 I N 1.294 121.765 120.570 -0.164 0.000 2.406 247 I HA -0.062 4.109 4.170 0.001 0.000 0.249 247 I C 2.295 178.127 176.117 -0.475 0.000 1.122 247 I CA 0.477 61.563 61.300 -0.357 0.000 1.431 247 I CB -0.513 37.325 38.000 -0.270 0.000 1.087 247 I HN 0.121 8.331 8.210 0.000 0.000 0.424 248 V N 1.473 121.258 119.914 -0.215 0.000 2.282 248 V HA -0.329 3.791 4.120 0.001 0.000 0.249 248 V C 2.492 178.476 176.094 -0.184 0.000 1.057 248 V CA 1.967 64.192 62.300 -0.126 0.000 1.032 248 V CB -0.743 31.094 31.823 0.024 0.000 0.645 248 V HN 0.416 8.606 8.190 0.000 0.000 0.447 249 K N -0.341 119.968 120.400 -0.151 0.000 2.063 249 K HA -0.270 4.051 4.320 0.001 0.000 0.208 249 K C 2.190 178.700 176.600 -0.150 0.000 1.048 249 K CA 1.854 58.071 56.287 -0.117 0.000 0.928 249 K CB -0.252 32.193 32.500 -0.092 0.000 0.713 249 K HN 0.547 8.797 8.250 0.000 0.000 0.442 250 E N 0.051 120.096 120.200 -0.259 0.000 2.085 250 E HA -0.196 4.154 4.350 0.001 0.000 0.194 250 E C 1.761 178.276 176.600 -0.140 0.000 0.994 250 E CA 1.218 57.469 56.400 -0.248 0.000 0.801 250 E CB 0.035 29.488 29.700 -0.411 0.000 0.743 250 E HN 0.304 8.664 8.360 0.000 0.000 0.453 251 Y N -0.278 119.854 120.300 -0.280 0.000 2.314 251 Y HA 0.026 4.577 4.550 0.001 0.000 0.293 251 Y C 2.198 177.969 175.900 -0.215 0.000 1.129 251 Y CA 0.646 58.505 58.100 -0.401 0.000 1.201 251 Y CB -0.947 36.806 38.460 -1.177 0.000 0.999 251 Y HN 0.103 8.383 8.280 0.000 0.000 0.541 252 A N 0.187 123.011 122.820 0.006 0.000 1.972 252 A HA -0.163 4.158 4.320 0.001 0.000 0.219 252 A C 2.021 179.629 177.584 0.040 0.000 1.169 252 A CA 1.662 53.742 52.037 0.072 0.000 0.635 252 A CB -0.520 18.515 19.000 0.059 0.000 0.810 252 A HN 0.448 8.598 8.150 0.000 0.000 0.446 253 N N -0.770 117.941 118.700 0.018 0.000 2.392 253 N HA -0.019 4.722 4.740 0.001 0.000 0.177 253 N C -0.686 174.841 175.510 0.028 0.000 1.066 253 N CA 0.626 53.685 53.050 0.015 0.000 0.895 253 N CB 0.384 38.868 38.487 -0.005 0.000 0.988 253 N HN 0.420 8.800 8.380 0.000 0.000 0.457 254 D N 0.117 120.554 120.400 0.061 0.000 2.319 254 D HA 0.059 4.700 4.640 0.001 0.000 0.237 254 D C 0.530 176.891 176.300 0.101 0.000 1.353 254 D CA -0.295 53.745 54.000 0.067 0.000 0.992 254 D CB 0.960 41.803 40.800 0.072 0.000 1.368 254 D HN -0.146 8.224 8.370 0.000 0.000 0.564 255 Q N 2.068 121.877 119.800 0.014 0.000 2.181 255 Q HA -0.187 4.154 4.340 0.001 0.000 0.205 255 Q C 0.435 176.326 176.000 -0.182 0.000 0.980 255 Q CA 1.835 57.590 55.803 -0.080 0.000 0.862 255 Q CB 0.326 28.916 28.738 -0.246 0.000 0.905 255 Q HN 0.476 8.746 8.270 0.000 0.000 0.429 256 D N -0.331 120.003 120.400 -0.109 0.000 2.097 256 D HA -0.153 4.488 4.640 0.001 0.000 0.197 256 D C 1.684 178.033 176.300 0.081 0.000 0.984 256 D CA 1.034 55.006 54.000 -0.048 0.000 0.826 256 D CB 0.047 40.846 40.800 -0.003 0.000 0.973 256 D HN -0.020 8.350 8.370 0.000 0.000 0.460 257 K N 0.235 120.714 120.400 0.131 0.000 2.032 257 K HA -0.149 4.171 4.320 0.001 0.000 0.209 257 K C 1.862 178.592 176.600 0.217 0.000 1.048 257 K CA 0.965 57.376 56.287 0.207 0.000 0.927 257 K CB -0.927 31.734 32.500 0.269 0.000 0.712 257 K HN 0.163 8.413 8.250 0.000 0.000 0.441 258 F N 0.374 120.305 119.950 -0.033 0.000 2.126 258 F HA -0.174 4.354 4.527 0.001 0.000 0.299 258 F C 1.761 177.607 175.800 0.076 0.000 1.096 258 F CA 1.342 59.097 58.000 -0.408 0.000 1.255 258 F CB -0.602 38.206 39.000 -0.321 0.000 0.997 258 F HN -0.020 8.280 8.300 0.000 0.000 0.479 259 F N 1.142 120.904 119.950 -0.314 0.000 2.134 259 F HA -0.129 4.399 4.527 0.001 0.000 0.299 259 F C 2.408 178.098 175.800 -0.184 0.000 1.097 259 F CA 1.472 59.261 58.000 -0.351 0.000 1.264 259 F CB -1.268 37.651 39.000 -0.135 0.000 1.001 259 F HN -0.002 8.298 8.300 0.000 0.000 0.479 260 K N -0.040 120.425 120.400 0.108 0.000 2.026 260 K HA -0.170 4.151 4.320 0.001 0.000 0.208 260 K C 1.697 178.328 176.600 0.051 0.000 1.048 260 K CA 1.725 58.057 56.287 0.074 0.000 0.929 260 K CB -0.293 32.259 32.500 0.086 0.000 0.713 260 K HN 0.083 8.333 8.250 0.000 0.000 0.439 261 D N 0.161 120.598 120.400 0.062 0.000 2.144 261 D HA -0.152 4.489 4.640 0.001 0.000 0.199 261 D C 1.569 177.887 176.300 0.030 0.000 0.984 261 D CA 0.803 54.849 54.000 0.078 0.000 0.834 261 D CB -0.195 40.722 40.800 0.195 0.000 0.955 261 D HN 0.087 8.457 8.370 0.000 0.000 0.465 262 F N 1.006 120.838 119.950 -0.197 0.000 2.146 262 F HA -0.190 4.338 4.527 0.001 0.000 0.298 262 F C 2.506 178.252 175.800 -0.089 0.000 1.096 262 F CA 1.348 59.228 58.000 -0.199 0.000 1.275 262 F CB -0.219 38.471 39.000 -0.517 0.000 1.008 262 F HN -0.135 8.165 8.300 0.000 0.000 0.480 263 S N 0.053 115.777 115.700 0.039 0.000 2.353 263 S HA -0.252 4.219 4.470 0.001 0.000 0.222 263 S C 2.164 176.751 174.600 -0.021 0.000 1.035 263 S CA 1.851 60.070 58.200 0.032 0.000 1.025 263 S CB -0.373 62.841 63.200 0.023 0.000 0.902 263 S HN 0.459 8.769 8.310 0.000 0.000 0.440 264 K N 0.534 120.918 120.400 -0.027 0.000 2.057 264 K HA 0.055 4.375 4.320 0.001 0.000 0.207 264 K C 2.366 178.931 176.600 -0.058 0.000 1.049 264 K CA 1.154 57.422 56.287 -0.032 0.000 0.931 264 K CB -0.389 32.105 32.500 -0.011 0.000 0.714 264 K HN 0.442 8.692 8.250 0.000 0.000 0.440 265 A N 0.416 123.181 122.820 -0.092 0.000 1.969 265 A HA -0.150 4.170 4.320 0.001 0.000 0.218 265 A C 1.922 179.435 177.584 -0.118 0.000 1.169 265 A CA 1.013 52.988 52.037 -0.104 0.000 0.635 265 A CB -0.537 18.400 19.000 -0.104 0.000 0.810 265 A HN 0.307 8.457 8.150 0.000 0.000 0.445 266 F N 0.631 120.315 119.950 -0.443 0.000 2.146 266 F HA -0.067 4.460 4.527 0.001 0.000 0.298 266 F C 2.188 177.910 175.800 -0.130 0.000 1.096 266 F CA 1.723 59.490 58.000 -0.388 0.000 1.275 266 F CB -0.383 38.232 39.000 -0.641 0.000 1.008 266 F HN 0.448 8.748 8.300 0.000 0.000 0.480 267 E N 0.406 120.538 120.200 -0.113 0.000 2.038 267 E HA -0.315 4.035 4.350 0.001 0.000 0.195 267 E C 2.374 178.887 176.600 -0.145 0.000 1.000 267 E CA 1.713 58.035 56.400 -0.129 0.000 0.803 267 E CB -0.307 29.350 29.700 -0.071 0.000 0.750 267 E HN 0.413 8.773 8.360 0.000 0.000 0.448 268 K N 0.442 120.778 120.400 -0.108 0.000 2.063 268 K HA -0.221 4.100 4.320 0.001 0.000 0.208 268 K C 2.331 178.863 176.600 -0.113 0.000 1.048 268 K CA 1.533 57.763 56.287 -0.095 0.000 0.928 268 K CB -0.321 32.146 32.500 -0.055 0.000 0.713 268 K HN 0.211 8.461 8.250 0.000 0.000 0.442 269 L N 1.426 122.594 121.223 -0.092 0.000 2.042 269 L HA -0.133 4.208 4.340 0.001 0.000 0.210 269 L C 1.957 178.758 176.870 -0.115 0.000 1.076 269 L CA 1.592 56.406 54.840 -0.043 0.000 0.749 269 L CB -0.200 41.879 42.059 0.033 0.000 0.893 269 L HN 0.264 8.494 8.230 0.000 0.000 0.432 270 L N -1.141 119.962 121.223 -0.201 0.000 2.313 270 L HA -0.053 4.288 4.340 0.001 0.000 0.214 270 L C 2.039 178.838 176.870 -0.118 0.000 1.119 270 L CA 0.722 55.464 54.840 -0.165 0.000 0.809 270 L CB -0.383 41.552 42.059 -0.206 0.000 0.933 270 L HN 0.343 8.573 8.230 0.000 0.000 0.449 271 E N -0.749 119.371 120.200 -0.133 0.000 2.472 271 E HA 0.031 4.381 4.350 0.001 0.000 0.196 271 E C 0.056 176.527 176.600 -0.214 0.000 1.033 271 E CA -0.362 55.995 56.400 -0.071 0.000 0.886 271 E CB 0.298 30.002 29.700 0.006 0.000 0.944 271 E HN 0.328 8.688 8.360 0.000 0.000 0.492 272 N N 0.832 119.298 118.700 -0.391 0.000 2.357 272 N HA -0.027 4.714 4.740 0.001 0.000 0.257 272 N C 0.834 175.677 175.510 -1.112 0.000 1.250 272 N CA 1.354 53.891 53.050 -0.855 0.000 0.862 272 N CB 0.902 38.680 38.487 -1.181 0.000 1.066 272 N HN 0.320 8.700 8.380 0.000 0.000 0.468 273 G N 1.369 109.549 108.800 -1.034 0.000 2.143 273 G HA2 -0.257 3.704 3.960 0.001 0.000 0.249 273 G HA3 -0.257 3.704 3.960 0.001 0.000 0.249 273 G C -0.010 174.774 174.900 -0.193 0.000 0.981 273 G CA 0.008 44.882 45.100 -0.378 0.000 0.665 273 G HN 0.548 8.838 8.290 0.000 0.000 0.528 274 I N 0.864 121.245 120.570 -0.316 0.000 2.474 274 I HA 0.450 4.621 4.170 0.001 0.000 0.294 274 I C 0.006 175.786 176.117 -0.562 0.000 1.005 274 I CA -0.809 60.230 61.300 -0.435 0.000 1.113 274 I CB 2.290 39.975 38.000 -0.525 0.000 1.289 274 I HN -0.028 8.182 8.210 0.000 0.000 0.436 275 T N 5.758 119.987 114.554 -0.541 0.000 2.749 275 T HA 0.471 4.822 4.350 0.001 0.000 0.287 275 T C -0.601 173.787 174.700 -0.519 0.000 0.970 275 T CA -0.191 61.667 62.100 -0.405 0.000 0.980 275 T CB 0.153 68.889 68.868 -0.221 0.000 0.924 275 T HN 0.098 8.338 8.240 0.000 0.000 0.456 276 F N 4.768 124.678 119.950 -0.066 0.000 2.361 276 F HA 0.393 4.921 4.527 0.001 0.000 0.364 276 F C -1.724 174.042 175.800 -0.057 0.000 1.120 276 F CA -2.643 55.315 58.000 -0.071 0.000 1.102 276 F CB 0.506 39.440 39.000 -0.110 0.000 1.183 276 F HN 0.344 8.644 8.300 0.000 0.000 0.476 277 P HA 0.054 4.474 4.420 0.000 0.000 0.269 277 P C 0.920 178.256 177.300 0.059 0.000 1.215 277 P CA -0.359 62.777 63.100 0.059 0.000 0.780 277 P CB 0.677 32.405 31.700 0.046 0.000 0.898 278 K N 0.981 121.399 120.400 0.030 0.000 2.160 278 K HA -0.186 4.134 4.320 0.001 0.000 0.206 278 K C 0.923 177.527 176.600 0.006 0.000 1.047 278 K CA 2.148 58.443 56.287 0.012 0.000 0.930 278 K CB -1.523 30.980 32.500 0.005 0.000 0.720 278 K HN 0.722 8.972 8.250 0.000 0.000 0.450 279 D N -0.163 120.246 120.400 0.015 0.000 2.339 279 D HA 0.196 4.837 4.640 0.001 0.000 0.217 279 D C 0.708 177.016 176.300 0.013 0.000 1.050 279 D CA 0.415 54.422 54.000 0.012 0.000 0.856 279 D CB -0.190 40.621 40.800 0.019 0.000 0.922 279 D HN 0.588 8.958 8.370 0.000 0.000 0.518 280 A N 1.906 124.736 122.820 0.017 0.000 2.448 280 A HA 0.380 4.700 4.320 0.001 0.000 0.239 280 A C -1.964 175.582 177.584 -0.064 0.000 1.080 280 A CA -0.746 51.294 52.037 0.004 0.000 0.779 280 A CB -0.296 18.736 19.000 0.053 0.000 1.026 280 A HN 0.128 8.278 8.150 0.000 0.000 0.499 281 P HA 0.263 4.683 4.420 0.000 0.000 0.276 281 P C -0.061 177.069 177.300 -0.285 0.000 1.252 281 P CA -0.405 62.619 63.100 -0.127 0.000 0.802 281 P CB 0.550 32.203 31.700 -0.078 0.000 1.035 282 S N 1.477 117.033 115.700 -0.240 0.000 2.580 282 S HA 0.206 4.677 4.470 0.001 0.000 0.266 282 S C -2.042 172.266 174.600 -0.486 0.000 1.354 282 S CA -0.454 57.568 58.200 -0.295 0.000 1.008 282 S CB -0.964 62.125 63.200 -0.185 0.000 0.898 282 S HN 0.429 8.739 8.310 0.000 0.000 0.555 283 P HA 0.254 4.674 4.420 0.000 0.000 0.271 283 P C -0.825 176.268 177.300 -0.346 0.000 1.218 283 P CA -0.161 62.627 63.100 -0.520 0.000 0.780 283 P CB 0.225 31.698 31.700 -0.380 0.000 0.901 284 F N 1.361 121.175 119.950 -0.225 0.000 2.377 284 F HA 0.441 4.969 4.527 0.001 0.000 0.328 284 F C 0.867 176.395 175.800 -0.453 0.000 1.094 284 F CA -0.812 56.986 58.000 -0.336 0.000 1.093 284 F CB 0.364 39.141 39.000 -0.371 0.000 1.214 284 F HN 0.082 8.382 8.300 0.000 0.000 0.518 285 I N 3.530 123.952 120.570 -0.246 0.000 2.437 285 I HA 0.222 4.393 4.170 0.001 0.000 0.279 285 I C -1.019 174.966 176.117 -0.220 0.000 1.028 285 I CA -0.494 60.675 61.300 -0.219 0.000 1.142 285 I CB 0.621 38.552 38.000 -0.115 0.000 1.266 285 I HN 0.265 8.475 8.210 0.000 0.000 0.461 286 F N 4.959 124.941 119.950 0.054 0.000 2.418 286 F HA 0.326 4.853 4.527 0.001 0.000 0.341 286 F C 0.944 176.565 175.800 -0.298 0.000 1.120 286 F CA -0.445 57.429 58.000 -0.210 0.000 1.232 286 F CB 0.445 39.017 39.000 -0.713 0.000 1.175 286 F HN 0.242 8.542 8.300 0.000 0.000 0.569 287 K N 0.944 121.287 120.400 -0.094 0.000 2.185 287 K HA 0.329 4.649 4.320 0.001 0.000 0.271 287 K C 0.227 176.742 176.600 -0.142 0.000 1.013 287 K CA -0.612 55.632 56.287 -0.071 0.000 0.943 287 K CB 0.915 33.414 32.500 -0.001 0.000 0.998 287 K HN 0.767 9.017 8.250 0.000 0.000 0.468 288 T N -1.089 113.481 114.554 0.027 0.000 2.788 288 T HA 0.169 4.520 4.350 0.001 0.000 0.280 288 T C 1.622 176.422 174.700 0.166 0.000 0.984 288 T CA -0.745 61.462 62.100 0.180 0.000 0.972 288 T CB 0.472 69.430 68.868 0.150 0.000 1.039 288 T HN 0.444 8.684 8.240 0.000 0.000 0.530 289 L N -0.002 121.343 121.223 0.203 0.000 2.042 289 L HA -0.122 4.218 4.340 0.001 0.000 0.210 289 L C 3.062 179.984 176.870 0.086 0.000 1.076 289 L CA 2.003 56.920 54.840 0.129 0.000 0.749 289 L CB -0.640 41.480 42.059 0.103 0.000 0.893 289 L HN 0.904 9.134 8.230 0.000 0.000 0.432 290 E N 0.502 120.752 120.200 0.083 0.000 2.118 290 E HA -0.257 4.093 4.350 0.001 0.000 0.195 290 E C 1.844 178.477 176.600 0.055 0.000 0.992 290 E CA 1.370 57.809 56.400 0.064 0.000 0.804 290 E CB 0.085 29.823 29.700 0.063 0.000 0.741 290 E HN 0.524 8.884 8.360 0.000 0.000 0.458 291 E N -0.232 120.001 120.200 0.056 0.000 2.347 291 E HA -0.128 4.222 4.350 0.001 0.000 0.196 291 E C 1.523 178.147 176.600 0.040 0.000 1.008 291 E CA 0.556 56.983 56.400 0.044 0.000 0.852 291 E CB 0.166 29.890 29.700 0.040 0.000 0.783 291 E HN 0.350 8.710 8.360 0.000 0.000 0.505 292 Q N -0.683 119.144 119.800 0.045 0.000 2.282 292 Q HA 0.140 4.481 4.340 0.001 0.000 0.206 292 Q C 0.675 176.698 176.000 0.037 0.000 0.878 292 Q CA 0.262 56.089 55.803 0.039 0.000 0.944 292 Q CB 1.149 29.912 28.738 0.041 0.000 1.100 292 Q HN 0.303 8.573 8.270 0.000 0.000 0.509 293 G N 1.138 109.961 108.800 0.039 0.000 2.249 293 G HA2 -0.252 3.709 3.960 0.001 0.000 0.273 293 G HA3 -0.252 3.709 3.960 0.001 0.000 0.273 293 G C -0.289 174.632 174.900 0.036 0.000 1.036 293 G CA 0.106 45.227 45.100 0.035 0.000 0.824 293 G HN 0.126 8.416 8.290 0.000 0.000 0.504 294 L N 0.000 121.248 121.223 0.042 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.864 54.840 0.040 0.000 0.813 294 L CB 0.000 42.087 42.059 0.046 0.000 0.961 294 L HN 0.000 8.230 8.230 0.000 0.000 0.502