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 2kwi_1_A DATA FIRST_RESID 8 DATA SEQUENCE GQSSLALHKV IMVGSGGVGK SALTLQFMYD EFVEDYEPTK ADSYRKKVVL DATA SEQUENCE DGEEVQIDIL DTAGLEDYAA IRDNYFRSGE GFLLVFSITE HESFTATAEF DATA SEQUENCE REQILRVKAE EDKIPLLVVG NKSDLEERRQ VPVEEARSKA EEWGVQYVET DATA SEQUENCE SAKTRANVDK VFFDLMREIR TKKMSENK 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 8 G C 0.000 174.902 174.900 0.004 0.000 0.946 8 G CA 0.000 45.102 45.100 0.003 0.000 0.502 9 Q N 0.609 120.409 119.800 0.001 0.000 2.118 9 Q HA 0.272 4.614 4.340 0.003 0.000 0.219 9 Q C 0.744 176.736 176.000 -0.013 0.000 0.794 9 Q CA -0.260 55.542 55.803 -0.000 0.000 1.035 9 Q CB 1.337 30.079 28.738 0.007 0.000 1.177 9 Q HN 0.318 8.588 8.270 -0.000 0.000 0.478 10 S N 2.326 118.017 115.700 -0.015 0.000 2.447 10 S HA -0.111 4.344 4.470 -0.026 0.000 0.233 10 S C 0.401 174.977 174.600 -0.041 0.000 1.006 10 S CA 2.065 60.251 58.200 -0.024 0.000 0.957 10 S CB -0.146 63.044 63.200 -0.016 0.000 0.773 10 S HN 0.057 8.361 8.310 -0.009 0.000 0.507 11 S N -0.660 115.020 115.700 -0.035 0.000 2.593 11 S HA 0.016 4.455 4.470 -0.052 0.000 0.217 11 S C -0.221 174.336 174.600 -0.071 0.000 0.966 11 S CA 1.320 59.493 58.200 -0.044 0.000 0.914 11 S CB 0.232 63.421 63.200 -0.018 0.000 0.776 11 S HN -0.166 8.099 8.310 -0.021 0.032 0.523 12 L N -1.428 119.748 121.223 -0.078 0.000 2.537 12 L HA 0.154 4.448 4.340 -0.077 0.000 0.224 12 L C -0.291 176.444 176.870 -0.224 0.000 1.065 12 L CA 0.307 55.094 54.840 -0.089 0.000 0.860 12 L CB 1.068 43.129 42.059 0.003 0.000 1.086 12 L HN -0.349 7.627 8.230 -0.058 0.219 0.482 13 A N -2.196 120.523 122.820 -0.169 0.000 2.238 13 A HA -0.001 4.257 4.320 -0.105 0.000 0.208 13 A C -1.556 175.882 177.584 -0.244 0.000 1.177 13 A CA 0.637 52.584 52.037 -0.151 0.000 0.804 13 A CB 0.807 19.776 19.000 -0.051 0.000 0.823 13 A HN -0.767 7.317 8.150 -0.110 0.000 0.482 14 L N -2.749 118.254 121.223 -0.367 0.000 2.349 14 L HA 0.855 5.264 4.340 -0.177 -0.176 0.278 14 L C -1.375 175.253 176.870 -0.404 0.000 0.996 14 L CA -1.005 53.671 54.840 -0.274 0.000 0.825 14 L CB 2.322 44.308 42.059 -0.121 0.000 1.243 14 L HN -0.729 7.178 8.230 -0.374 0.099 0.412 15 H N 6.144 125.234 119.070 0.034 0.000 2.538 15 H HA 0.360 4.926 4.556 0.016 0.000 0.353 15 H C -1.461 173.872 175.328 0.009 0.000 1.109 15 H CA -1.407 54.655 56.048 0.024 0.000 1.192 15 H CB 3.807 33.593 29.762 0.040 0.000 1.555 15 H HN 0.808 9.084 8.280 -0.008 0.000 0.518 16 K N 4.476 124.935 120.400 0.098 0.000 2.394 16 K HA 0.487 4.984 4.320 0.036 -0.155 0.260 16 K C -1.968 174.592 176.600 -0.066 0.000 0.967 16 K CA -1.155 55.142 56.287 0.016 0.000 0.855 16 K CB 1.260 33.754 32.500 -0.010 0.000 1.101 16 K HN 0.539 8.852 8.250 0.105 0.000 0.433 17 V N 5.386 125.261 119.914 -0.066 0.000 2.483 17 V HA 0.650 4.830 4.120 -0.252 -0.211 0.297 17 V C -1.438 174.576 176.094 -0.133 0.000 1.027 17 V CA -1.486 60.728 62.300 -0.143 0.000 0.855 17 V CB 2.181 33.951 31.823 -0.088 0.000 0.995 17 V HN 0.474 8.658 8.190 -0.010 0.000 0.424 18 I N 6.768 127.194 120.570 -0.240 0.000 2.377 18 I HA 0.257 4.422 4.170 -0.009 0.000 0.293 18 I C -1.585 174.551 176.117 0.033 0.000 0.987 18 I CA -0.981 60.284 61.300 -0.058 0.000 1.185 18 I CB 2.316 40.355 38.000 0.065 0.000 1.341 18 I HN 0.457 8.384 8.210 -0.471 0.000 0.455 19 M N 8.118 127.746 119.600 0.046 0.000 2.114 19 M HA 0.618 5.268 4.480 0.019 -0.159 0.332 19 M C -1.812 174.511 176.300 0.037 0.000 1.014 19 M CA -1.124 54.191 55.300 0.025 0.000 0.956 19 M CB 1.930 34.524 32.600 -0.011 0.000 1.551 19 M HN -0.186 8.128 8.290 0.042 0.000 0.427 20 V N 0.377 120.298 119.914 0.012 0.000 3.019 20 V HA 0.652 4.729 4.120 -0.072 0.000 0.317 20 V C -2.239 173.721 176.094 -0.224 0.000 1.094 20 V CA -3.132 59.101 62.300 -0.112 0.000 1.000 20 V CB 3.051 34.773 31.823 -0.169 0.000 1.060 20 V HN 0.445 8.650 8.190 0.025 0.000 0.443 21 G N 0.435 109.025 108.800 -0.350 0.000 2.634 21 G HA2 0.144 4.110 3.960 -0.148 0.000 0.309 21 G HA3 0.144 4.083 3.960 -0.034 0.000 0.309 21 G C -1.654 173.176 174.900 -0.117 0.000 1.299 21 G CA 0.237 45.219 45.100 -0.196 0.000 0.798 21 G HN -0.078 7.990 8.290 -0.371 0.000 0.490 22 S N 0.453 116.256 115.700 0.172 0.000 2.575 22 S HA 0.232 4.964 4.470 0.438 0.000 0.215 22 S C 0.747 175.443 174.600 0.159 0.000 0.966 22 S CA -0.201 58.169 58.200 0.283 0.000 0.911 22 S CB 0.272 63.651 63.200 0.298 0.000 0.780 22 S HN 0.435 8.854 8.310 0.182 0.000 0.514 23 G N -0.892 107.963 108.800 0.092 0.000 4.020 23 G HA2 -0.036 3.954 3.960 0.049 0.000 0.195 23 G HA3 -0.036 3.970 3.960 0.076 0.000 0.195 23 G C -0.979 173.947 174.900 0.043 0.000 1.819 23 G CA 0.079 45.217 45.100 0.064 0.000 1.109 23 G HN -0.090 8.147 8.290 0.065 0.091 0.385 24 G N 0.266 109.101 108.800 0.059 0.000 2.508 24 G HA2 0.388 4.365 3.960 0.027 0.000 0.217 24 G HA3 0.388 4.376 3.960 0.046 0.000 0.217 24 G C 0.404 175.338 174.900 0.057 0.000 2.004 24 G CA -0.442 44.686 45.100 0.046 0.000 0.750 24 G HN 0.034 8.372 8.290 0.080 0.000 0.730 25 V N -2.038 117.920 119.914 0.073 0.000 0.481 25 V HA -0.369 3.803 4.120 0.088 0.000 0.092 25 V C -0.093 176.034 176.094 0.055 0.000 2.400 25 V CA 1.848 64.195 62.300 0.079 0.000 3.646 25 V CB -0.601 31.284 31.823 0.103 0.000 0.927 25 V HN 0.386 8.620 8.190 0.075 0.000 0.973 26 G N -3.680 105.146 108.800 0.043 0.000 2.363 26 G HA2 -0.049 3.925 3.960 0.025 0.000 0.213 26 G HA3 -0.049 3.936 3.960 0.042 0.000 0.213 26 G C -1.187 173.734 174.900 0.035 0.000 1.028 26 G CA -0.318 44.803 45.100 0.035 0.000 0.822 26 G HN 0.085 8.290 8.290 0.043 0.111 0.536 27 K N -1.470 118.950 120.400 0.034 0.000 2.522 27 K HA 0.124 4.470 4.320 0.043 0.000 0.194 27 K C -0.524 176.109 176.600 0.056 0.000 1.026 27 K CA 0.823 57.133 56.287 0.038 0.000 1.119 27 K CB -0.334 32.179 32.500 0.021 0.000 0.856 27 K HN -0.552 7.717 8.250 0.031 0.000 0.513 28 S N -1.954 113.774 115.700 0.046 0.000 2.527 28 S HA 0.100 4.623 4.470 0.089 0.000 0.227 28 S C 1.075 175.707 174.600 0.055 0.000 1.059 28 S CA 2.008 60.245 58.200 0.062 0.000 0.919 28 S CB 0.486 63.712 63.200 0.044 0.000 0.805 28 S HN -0.255 7.972 8.310 0.030 0.101 0.500 29 A N 3.521 126.345 122.820 0.007 0.000 1.897 29 A HA -0.196 4.057 4.320 -0.112 0.000 0.215 29 A C 1.533 179.148 177.584 0.051 0.000 1.181 29 A CA 2.969 54.977 52.037 -0.049 0.000 0.620 29 A CB -0.636 18.291 19.000 -0.121 0.000 0.821 29 A HN -0.647 7.507 8.150 0.007 0.000 0.443 30 L N -2.778 118.516 121.223 0.118 0.000 2.079 30 L HA -0.464 3.992 4.340 0.194 0.000 0.210 30 L C 2.054 179.073 176.870 0.248 0.000 1.081 30 L CA 3.378 58.347 54.840 0.216 0.000 0.752 30 L CB -0.568 41.644 42.059 0.255 0.000 0.896 30 L HN -0.643 7.646 8.230 0.099 0.000 0.433 31 T N 0.464 115.165 114.554 0.245 0.000 2.737 31 T HA -0.398 4.058 4.350 0.177 0.000 0.265 31 T C 1.768 176.529 174.700 0.101 0.000 1.038 31 T CA 4.135 66.354 62.100 0.198 0.000 1.144 31 T CB -0.541 68.463 68.868 0.225 0.000 0.866 31 T HN -0.532 7.825 8.240 0.215 0.012 0.434 32 L N -0.168 121.115 121.223 0.100 0.000 2.083 32 L HA -0.337 4.127 4.340 0.206 0.000 0.209 32 L C 2.123 179.050 176.870 0.095 0.000 1.083 32 L CA 3.659 58.559 54.840 0.099 0.000 0.752 32 L CB -0.825 41.208 42.059 -0.044 0.000 0.899 32 L HN -0.679 7.607 8.230 0.094 0.000 0.433 33 Q N -0.285 119.559 119.800 0.073 0.000 2.061 33 Q HA -0.322 4.068 4.340 0.083 0.000 0.204 33 Q C 3.102 179.120 176.000 0.031 0.000 0.984 33 Q CA 2.857 58.708 55.803 0.080 0.000 0.846 33 Q CB -0.285 28.526 28.738 0.122 0.000 0.902 33 Q HN 0.172 8.479 8.270 0.075 0.009 0.421 34 F N -1.624 118.187 119.950 -0.232 0.000 2.604 34 F HA -0.127 4.212 4.527 -0.314 0.000 0.298 34 F C 0.515 176.108 175.800 -0.346 0.000 1.131 34 F CA 2.151 59.894 58.000 -0.427 0.000 1.457 34 F CB 0.218 38.574 39.000 -1.072 0.000 1.095 34 F HN -0.219 8.104 8.300 0.039 0.000 0.574 35 M N -3.278 116.150 119.600 -0.287 0.000 2.858 35 M HA -0.102 4.032 4.480 -0.576 0.000 0.255 35 M C 1.226 177.246 176.300 -0.467 0.000 1.336 35 M CA 3.240 58.284 55.300 -0.427 0.000 1.220 35 M CB 2.092 34.496 32.600 -0.326 0.000 1.252 35 M HN -0.862 7.184 8.290 -0.099 0.185 0.538 36 Y N -3.628 116.558 120.300 -0.189 0.000 2.430 36 Y HA -0.090 4.361 4.550 -0.165 0.000 0.248 36 Y C -0.230 175.601 175.900 -0.115 0.000 1.108 36 Y CA 1.136 59.140 58.100 -0.160 0.000 1.264 36 Y CB 1.191 39.548 38.460 -0.172 0.000 1.172 36 Y HN 0.488 8.703 8.280 0.086 0.117 0.520 37 D N -4.248 116.173 120.400 0.036 0.000 3.012 37 D HA -0.360 4.422 4.640 0.035 -0.121 0.222 37 D C -1.517 174.823 176.300 0.067 0.000 1.167 37 D CA 2.073 56.093 54.000 0.034 0.000 0.854 37 D CB -1.578 39.224 40.800 0.004 0.000 1.107 37 D HN -0.184 8.101 8.370 0.004 0.088 0.421 38 E N -2.771 117.477 120.200 0.081 0.000 2.227 38 E HA 0.188 4.586 4.350 0.080 0.000 0.268 38 E C -1.463 175.191 176.600 0.090 0.000 0.907 38 E CA -1.593 54.845 56.400 0.064 0.000 0.786 38 E CB 2.405 32.096 29.700 -0.015 0.000 1.191 38 E HN -0.837 7.548 8.360 0.100 0.035 0.411 39 F N 3.044 122.979 119.950 -0.026 0.000 2.399 39 F HA 0.110 4.636 4.527 -0.001 0.000 0.342 39 F C -0.161 175.619 175.800 -0.033 0.000 1.106 39 F CA -0.127 57.864 58.000 -0.016 0.000 1.196 39 F CB 1.552 40.549 39.000 -0.005 0.000 1.163 39 F HN 0.214 8.656 8.300 0.236 0.000 0.547 40 V N 8.054 127.535 119.914 -0.721 0.000 2.400 40 V HA -0.253 3.703 4.120 -0.273 0.000 0.263 40 V C -0.137 175.786 176.094 -0.285 0.000 1.026 40 V CA 1.489 63.518 62.300 -0.451 0.000 1.077 40 V CB -0.431 31.142 31.823 -0.417 0.000 1.054 40 V HN 0.245 7.708 8.190 -1.213 0.000 0.477 41 E N 8.189 128.345 120.200 -0.072 0.000 2.016 41 E HA -0.182 4.235 4.350 0.112 0.000 0.190 41 E C -0.203 176.404 176.600 0.012 0.000 0.985 41 E CA 2.015 58.433 56.400 0.029 0.000 0.802 41 E CB 0.574 30.292 29.700 0.030 0.000 0.762 41 E HN 0.133 8.442 8.360 -0.086 0.000 0.448 42 D N -2.765 117.641 120.400 0.010 0.000 2.365 42 D HA 0.049 4.702 4.640 0.021 0.000 0.235 42 D C -1.778 174.586 176.300 0.107 0.000 1.368 42 D CA 0.365 54.385 54.000 0.034 0.000 1.001 42 D CB 0.304 41.121 40.800 0.027 0.000 1.364 42 D HN -0.252 8.116 8.370 -0.003 0.000 0.577 43 Y N 3.340 123.589 120.300 -0.085 0.000 2.475 43 Y HA 0.165 4.672 4.550 -0.070 0.000 0.343 43 Y C -1.067 174.794 175.900 -0.065 0.000 1.068 43 Y CA -0.134 57.917 58.100 -0.081 0.000 1.307 43 Y CB 1.351 39.746 38.460 -0.108 0.000 1.097 43 Y HN -0.222 8.106 8.280 0.080 0.000 0.530 44 E N 8.519 128.577 120.200 -0.237 0.000 2.014 44 E HA -0.111 4.154 4.350 -0.141 0.000 0.190 44 E C -0.677 175.727 176.600 -0.326 0.000 0.980 44 E CA 1.190 57.460 56.400 -0.216 0.000 0.807 44 E CB -0.916 28.697 29.700 -0.146 0.000 0.770 44 E HN 0.341 8.582 8.360 -0.197 0.000 0.451 45 P HA -0.289 3.975 4.420 -0.260 0.000 0.230 45 P C -0.668 176.454 177.300 -0.296 0.000 0.853 45 P CA 1.564 64.450 63.100 -0.356 0.000 1.096 45 P CB -0.137 31.306 31.700 -0.429 0.000 0.677 46 T N -9.059 105.324 114.554 -0.285 0.000 3.799 46 T HA -0.457 4.093 4.350 -0.100 -0.259 0.358 46 T C -0.356 174.246 174.700 -0.163 0.000 0.759 46 T CA 1.149 63.157 62.100 -0.153 0.000 1.869 46 T CB -1.091 67.728 68.868 -0.082 0.000 1.837 46 T HN 0.115 8.142 8.240 -0.355 0.000 0.762 47 K N -2.463 117.815 120.400 -0.204 0.000 2.029 47 K HA -0.137 4.041 4.320 -0.238 0.000 0.205 47 K C 0.957 177.413 176.600 -0.240 0.000 1.042 47 K CA 2.308 58.446 56.287 -0.249 0.000 0.949 47 K CB 0.122 32.424 32.500 -0.330 0.000 0.740 47 K HN -0.275 7.821 8.250 -0.210 0.028 0.442 48 A N -4.681 118.009 122.820 -0.218 0.000 2.498 48 A HA 0.114 4.258 4.320 -0.294 0.000 0.238 48 A C -1.351 176.122 177.584 -0.185 0.000 1.225 48 A CA -0.295 51.606 52.037 -0.228 0.000 0.978 48 A CB 0.288 19.178 19.000 -0.184 0.000 1.142 48 A HN -0.348 7.681 8.150 -0.203 0.000 0.552 49 D N -0.132 120.176 120.400 -0.154 0.000 2.358 49 D HA -0.056 4.484 4.640 -0.167 0.000 0.258 49 D C -1.423 174.828 176.300 -0.081 0.000 1.223 49 D CA 1.182 55.104 54.000 -0.131 0.000 0.886 49 D CB 0.176 40.918 40.800 -0.096 0.000 1.120 49 D HN -0.277 8.070 8.370 -0.162 -0.075 0.482 50 S N 3.871 119.479 115.700 -0.152 0.000 2.570 50 S HA 0.178 4.728 4.470 0.134 0.000 0.270 50 S C -1.342 173.143 174.600 -0.191 0.000 1.149 50 S CA -0.246 57.930 58.200 -0.040 0.000 0.837 50 S CB 2.995 66.183 63.200 -0.019 0.000 1.124 50 S HN 0.022 8.176 8.310 -0.261 0.000 0.465 51 Y N 1.034 121.384 120.300 0.082 0.000 2.598 51 Y HA 0.252 4.834 4.550 0.054 0.000 0.340 51 Y C -0.920 175.005 175.900 0.042 0.000 1.038 51 Y CA -0.729 57.409 58.100 0.064 0.000 1.100 51 Y CB 3.069 41.578 38.460 0.083 0.000 1.281 51 Y HN 0.206 8.673 8.280 0.311 0.000 0.488 52 R N -0.197 120.415 120.500 0.186 0.000 2.474 52 R HA 0.401 4.906 4.340 0.108 -0.101 0.295 52 R C -0.613 175.715 176.300 0.047 0.000 0.980 52 R CA -1.125 55.037 56.100 0.103 0.000 0.934 52 R CB 1.496 31.840 30.300 0.073 0.000 1.101 52 R HN 0.223 8.627 8.270 0.223 0.000 0.469 53 K N 3.266 123.679 120.400 0.021 0.000 2.235 53 K HA 0.183 4.414 4.320 -0.149 0.000 0.266 53 K C -1.565 175.000 176.600 -0.059 0.000 0.980 53 K CA -1.678 54.558 56.287 -0.085 0.000 0.849 53 K CB 1.870 34.278 32.500 -0.154 0.000 1.098 53 K HN 0.043 8.334 8.250 0.069 0.000 0.445 54 K N 8.580 128.920 120.400 -0.100 0.000 2.285 54 K HA 0.200 4.650 4.320 -0.009 -0.136 0.286 54 K C -0.631 175.925 176.600 -0.072 0.000 1.072 54 K CA -0.537 55.715 56.287 -0.057 0.000 0.913 54 K CB 0.308 32.773 32.500 -0.059 0.000 1.067 54 K HN 0.353 8.516 8.250 -0.145 0.000 0.479 55 V N 2.033 121.951 119.914 0.007 0.000 2.823 55 V HA 0.428 4.548 4.120 0.000 0.000 0.312 55 V C -2.082 174.071 176.094 0.098 0.000 1.072 55 V CA -2.171 60.164 62.300 0.059 0.000 0.937 55 V CB 3.180 35.113 31.823 0.184 0.000 1.013 55 V HN 0.693 8.912 8.190 0.049 0.000 0.430 56 V N 4.675 124.638 119.914 0.082 0.000 2.350 56 V HA 0.735 5.124 4.120 0.074 -0.225 0.285 56 V C -1.249 174.881 176.094 0.059 0.000 1.014 56 V CA -2.204 60.134 62.300 0.063 0.000 0.831 56 V CB 1.372 33.210 31.823 0.025 0.000 1.000 56 V HN 0.279 8.511 8.190 0.070 0.000 0.433 57 L N 9.424 130.689 121.223 0.071 0.000 2.272 57 L HA 0.228 4.561 4.340 -0.010 0.000 0.284 57 L C -0.267 176.613 176.870 0.015 0.000 1.045 57 L CA -0.798 54.062 54.840 0.033 0.000 0.842 57 L CB -0.386 41.713 42.059 0.066 0.000 1.224 57 L HN 0.289 8.573 8.230 0.090 0.000 0.430 58 D N 4.554 124.950 120.400 -0.008 0.000 3.059 58 D HA -0.337 4.294 4.640 -0.016 0.000 0.220 58 D C 0.093 176.395 176.300 0.003 0.000 1.169 58 D CA 1.526 55.521 54.000 -0.008 0.000 0.902 58 D CB -0.184 40.611 40.800 -0.009 0.000 1.116 58 D HN 0.754 9.112 8.370 -0.020 0.000 0.417 59 G N -3.928 104.878 108.800 0.009 0.000 3.006 59 G HA2 -0.305 3.658 3.960 0.005 0.000 0.195 59 G HA3 -0.305 3.660 3.960 0.008 0.000 0.195 59 G C -1.365 173.545 174.900 0.016 0.000 1.034 59 G CA -0.177 44.929 45.100 0.010 0.000 0.807 59 G HN -0.142 8.091 8.290 0.012 0.064 0.469 60 E N 2.700 122.916 120.200 0.027 0.000 2.174 60 E HA 0.156 4.520 4.350 0.023 0.000 0.282 60 E C -1.062 175.564 176.600 0.043 0.000 0.992 60 E CA -1.507 54.913 56.400 0.033 0.000 0.803 60 E CB 0.783 30.507 29.700 0.040 0.000 1.090 60 E HN -0.539 7.840 8.360 0.031 0.000 0.396 61 E N 5.071 125.291 120.200 0.032 0.000 2.104 61 E HA -0.013 4.492 4.350 0.043 -0.130 0.278 61 E C -0.581 176.047 176.600 0.047 0.000 1.127 61 E CA 0.132 56.554 56.400 0.035 0.000 0.897 61 E CB 0.035 29.745 29.700 0.017 0.000 1.043 61 E HN 0.321 8.694 8.360 0.023 0.000 0.410 62 V N 4.823 124.785 119.914 0.080 0.000 2.547 62 V HA 0.165 4.421 4.120 0.062 -0.099 0.299 62 V C -1.353 174.806 176.094 0.108 0.000 1.040 62 V CA -1.590 60.774 62.300 0.107 0.000 0.913 62 V CB 1.998 33.945 31.823 0.207 0.000 0.992 62 V HN 1.014 9.144 8.190 0.092 0.115 0.449 63 Q N 4.361 124.210 119.800 0.083 0.000 2.333 63 Q HA 0.597 5.139 4.340 0.080 -0.154 0.265 63 Q C -1.598 174.479 176.000 0.128 0.000 0.989 63 Q CA -1.461 54.391 55.803 0.080 0.000 0.842 63 Q CB 2.980 31.741 28.738 0.037 0.000 1.262 63 Q HN 0.436 8.730 8.270 0.040 0.000 0.451 64 I N 5.513 126.179 120.570 0.160 0.000 2.339 64 I HA 0.332 4.788 4.170 0.227 -0.150 0.290 64 I C -2.810 173.388 176.117 0.135 0.000 0.994 64 I CA -1.967 59.449 61.300 0.193 0.000 1.191 64 I CB 2.981 41.118 38.000 0.228 0.000 1.343 64 I HN -0.017 8.273 8.210 0.133 0.000 0.458 65 D N 10.056 130.522 120.400 0.111 0.000 2.359 65 D HA 0.338 5.026 4.640 0.079 0.000 0.230 65 D C -2.067 174.280 176.300 0.078 0.000 1.118 65 D CA -1.537 52.512 54.000 0.080 0.000 0.844 65 D CB 0.890 41.724 40.800 0.058 0.000 1.059 65 D HN 0.816 9.144 8.370 0.119 0.114 0.493 66 I N 3.519 124.143 120.570 0.089 0.000 2.493 66 I HA 0.736 5.159 4.170 0.075 -0.208 0.298 66 I C -0.447 175.701 176.117 0.052 0.000 0.998 66 I CA -2.927 58.429 61.300 0.093 0.000 1.137 66 I CB 1.838 39.936 38.000 0.163 0.000 1.310 66 I HN 0.081 8.347 8.210 0.093 0.000 0.445 67 L N 5.061 126.299 121.223 0.025 0.000 2.404 67 L HA 0.193 4.509 4.340 -0.040 0.000 0.272 67 L C -2.115 174.741 176.870 -0.023 0.000 0.980 67 L CA -1.000 53.822 54.840 -0.031 0.000 0.836 67 L CB 3.614 45.621 42.059 -0.087 0.000 1.238 67 L HN -0.011 8.235 8.230 0.028 0.000 0.408 68 D N 4.450 124.836 120.400 -0.023 0.000 2.468 68 D HA 0.218 4.856 4.640 -0.004 0.000 0.218 68 D C -0.631 175.618 176.300 -0.086 0.000 1.155 68 D CA -1.427 52.560 54.000 -0.021 0.000 0.924 68 D CB 0.045 40.856 40.800 0.019 0.000 1.029 68 D HN 0.217 8.575 8.370 -0.019 0.000 0.515 69 T N 0.728 115.224 114.554 -0.097 0.000 2.889 69 T HA 0.141 4.481 4.350 -0.220 -0.123 0.291 69 T C -0.081 174.550 174.700 -0.116 0.000 0.995 69 T CA -1.185 60.822 62.100 -0.156 0.000 1.092 69 T CB 1.690 70.455 68.868 -0.171 0.000 0.954 69 T HN -0.719 7.487 8.240 -0.056 0.000 0.506 70 A N 3.340 126.081 122.820 -0.132 0.000 2.488 70 A HA -0.015 4.257 4.320 -0.080 0.000 0.249 70 A C -1.375 176.191 177.584 -0.030 0.000 1.083 70 A CA 0.971 52.956 52.037 -0.087 0.000 0.768 70 A CB 0.423 19.345 19.000 -0.130 0.000 1.017 70 A HN -0.183 7.863 8.150 -0.175 0.000 0.496 71 G N 1.722 110.521 108.800 -0.002 0.000 2.954 71 G HA2 0.424 4.404 3.960 0.033 0.000 0.290 71 G HA3 0.424 4.391 3.960 0.012 0.000 0.290 71 G C -1.432 173.511 174.900 0.070 0.000 1.574 71 G CA -0.214 44.904 45.100 0.029 0.000 1.088 71 G HN 0.052 8.338 8.290 -0.006 0.000 0.557 72 L N 0.303 121.579 121.223 0.089 0.000 2.437 72 L HA 0.491 4.890 4.340 0.099 0.000 0.188 72 L C -0.540 176.381 176.870 0.085 0.000 1.123 72 L CA 0.951 55.847 54.840 0.093 0.000 0.981 72 L CB 0.536 42.651 42.059 0.093 0.000 1.935 72 L HN -0.197 8.087 8.230 0.090 0.000 0.494 73 E N -2.695 117.550 120.200 0.076 0.000 1.686 73 E HA -0.134 4.244 4.350 0.048 0.000 0.242 73 E C 0.753 177.361 176.600 0.015 0.000 1.064 73 E CA 0.789 57.216 56.400 0.045 0.000 1.555 73 E CB -0.331 29.390 29.700 0.036 0.000 4.074 73 E HN -0.177 8.239 8.360 0.093 0.000 0.884 74 D N 0.679 121.082 120.400 0.004 0.000 2.106 74 D HA -0.185 4.371 4.640 -0.139 0.000 0.194 74 D C 1.672 177.866 176.300 -0.177 0.000 0.988 74 D CA 2.552 56.478 54.000 -0.123 0.000 0.845 74 D CB -0.023 40.673 40.800 -0.173 0.000 0.990 74 D HN 0.086 8.481 8.370 0.042 0.000 0.448 75 Y N 0.127 120.422 120.300 -0.008 0.000 3.040 75 Y HA -0.077 4.469 4.550 -0.006 0.000 0.392 75 Y C -0.125 175.762 175.900 -0.021 0.000 1.105 75 Y CA -1.129 56.962 58.100 -0.014 0.000 1.950 75 Y CB -2.101 36.344 38.460 -0.025 0.000 2.014 75 Y HN -0.061 8.374 8.280 0.257 0.000 0.433 76 A N 1.397 124.247 122.820 0.050 0.000 2.121 76 A HA -0.196 4.131 4.320 0.011 0.000 0.218 76 A C 0.263 177.856 177.584 0.015 0.000 1.154 76 A CA 2.123 54.171 52.037 0.018 0.000 0.679 76 A CB -0.179 18.823 19.000 0.004 0.000 0.795 76 A HN 0.277 8.321 8.150 -0.003 0.104 0.458 77 A N -3.959 118.894 122.820 0.056 0.000 2.168 77 A HA -0.130 4.216 4.320 0.045 0.000 0.215 77 A C 0.696 178.418 177.584 0.231 0.000 1.152 77 A CA 2.005 54.097 52.037 0.091 0.000 0.716 77 A CB -0.718 18.331 19.000 0.082 0.000 0.794 77 A HN 0.189 8.323 8.150 0.052 0.048 0.465 78 I N -4.702 115.972 120.570 0.174 0.000 3.339 78 I HA -0.126 4.203 4.170 0.265 0.000 0.285 78 I C 0.255 176.326 176.117 -0.076 0.000 1.201 78 I CA 1.173 62.521 61.300 0.081 0.000 1.434 78 I CB 0.547 38.503 38.000 -0.074 0.000 1.152 78 I HN -0.568 7.529 8.210 0.122 0.186 0.443 79 R N -0.756 119.655 120.500 -0.148 0.000 2.041 79 R HA -0.172 3.930 4.340 -0.397 0.000 0.221 79 R C 1.165 176.877 176.300 -0.980 0.000 1.196 79 R CA 3.003 58.851 56.100 -0.421 0.000 0.969 79 R CB 0.948 31.101 30.300 -0.245 0.000 0.858 79 R HN -0.805 7.340 8.270 -0.067 0.085 0.444 80 D N -2.249 117.794 120.400 -0.595 0.000 2.103 80 D HA -0.171 3.907 4.640 -0.937 0.000 0.199 80 D C 2.303 178.466 176.300 -0.228 0.000 0.978 80 D CA 3.513 57.218 54.000 -0.492 0.000 0.829 80 D CB 0.018 40.777 40.800 -0.069 0.000 0.981 80 D HN -0.228 7.971 8.370 -0.285 0.000 0.464 81 N N -0.341 118.298 118.700 -0.102 0.000 2.459 81 N HA -0.175 4.552 4.740 -0.022 0.000 0.181 81 N C 1.068 176.536 175.510 -0.071 0.000 1.046 81 N CA 2.225 55.247 53.050 -0.046 0.000 0.904 81 N CB 0.098 38.558 38.487 -0.044 0.000 0.964 81 N HN -0.267 8.060 8.380 -0.088 0.000 0.444 82 Y N -3.564 116.660 120.300 -0.126 0.000 2.482 82 Y HA -0.069 4.484 4.550 0.005 0.000 0.270 82 Y C 0.892 176.864 175.900 0.120 0.000 1.152 82 Y CA 1.294 59.374 58.100 -0.033 0.000 1.292 82 Y CB -0.074 38.347 38.460 -0.064 0.000 1.070 82 Y HN -0.738 7.517 8.280 0.034 0.045 0.528 83 F N -0.383 119.720 119.950 0.254 0.000 2.333 83 F HA -0.312 4.491 4.527 0.461 0.000 0.300 83 F C 1.988 177.951 175.800 0.273 0.000 1.083 83 F CA 1.453 59.642 58.000 0.315 0.000 1.395 83 F CB -0.777 38.345 39.000 0.203 0.000 1.056 83 F HN -0.387 7.780 8.300 0.079 0.181 0.529 84 R N -0.710 119.984 120.500 0.323 0.000 2.080 84 R HA -0.321 4.141 4.340 0.203 0.000 0.236 84 R C 1.619 178.021 176.300 0.170 0.000 1.137 84 R CA 2.707 58.925 56.100 0.197 0.000 0.943 84 R CB -0.327 30.030 30.300 0.095 0.000 0.846 84 R HN 0.001 8.371 8.270 0.253 0.051 0.431 85 S N -1.355 114.427 115.700 0.136 0.000 2.667 85 S HA 0.048 4.561 4.470 0.072 0.000 0.251 85 S C -1.119 173.527 174.600 0.076 0.000 1.075 85 S CA 0.033 58.285 58.200 0.087 0.000 1.130 85 S CB -0.353 62.879 63.200 0.054 0.000 0.795 85 S HN -0.420 7.972 8.310 0.138 0.000 0.462 86 G N 0.370 109.220 108.800 0.082 0.000 2.626 86 G HA2 0.279 4.182 3.960 -0.095 0.000 0.304 86 G HA3 0.279 4.101 3.960 -0.230 0.000 0.304 86 G C -1.066 173.731 174.900 -0.172 0.000 1.385 86 G CA -0.836 44.200 45.100 -0.107 0.000 0.957 86 G HN -0.670 7.619 8.290 0.171 0.103 0.504 87 E N 6.804 126.915 120.200 -0.147 0.000 1.999 87 E HA -0.266 4.094 4.350 0.016 0.000 0.194 87 E C 0.425 176.938 176.600 -0.146 0.000 0.995 87 E CA 2.315 58.674 56.400 -0.069 0.000 0.825 87 E CB 0.656 30.350 29.700 -0.011 0.000 0.777 87 E HN 0.515 8.806 8.360 -0.116 0.000 0.459 88 G N -4.403 104.252 108.800 -0.242 0.000 2.434 88 G HA2 0.445 4.569 3.960 0.014 0.000 0.330 88 G HA3 0.445 4.344 3.960 -0.103 0.000 0.330 88 G C -2.385 172.243 174.900 -0.454 0.000 1.155 88 G CA -0.836 44.157 45.100 -0.179 0.000 0.917 88 G HN -0.392 7.766 8.290 -0.219 0.000 0.493 89 F N -1.493 118.439 119.950 -0.030 0.000 2.556 89 F HA 0.728 5.420 4.527 -0.028 -0.182 0.314 89 F C -1.244 174.530 175.800 -0.044 0.000 1.106 89 F CA -1.471 56.505 58.000 -0.041 0.000 0.911 89 F CB 4.597 43.551 39.000 -0.077 0.000 1.190 89 F HN 0.557 8.982 8.300 0.209 0.000 0.448 90 L N 1.588 122.863 121.223 0.088 0.000 2.276 90 L HA 0.609 5.180 4.340 0.025 -0.216 0.286 90 L C -0.955 175.958 176.870 0.072 0.000 1.024 90 L CA -1.253 53.594 54.840 0.013 0.000 0.826 90 L CB 1.189 43.157 42.059 -0.151 0.000 1.211 90 L HN 0.904 9.177 8.230 0.072 0.000 0.422 91 L N 5.131 126.438 121.223 0.140 0.000 2.295 91 L HA 0.198 4.614 4.340 0.127 0.000 0.288 91 L C -0.980 176.040 176.870 0.250 0.000 1.079 91 L CA -0.391 54.572 54.840 0.205 0.000 0.830 91 L CB -0.408 41.846 42.059 0.326 0.000 1.200 91 L HN 0.657 8.981 8.230 0.156 0.000 0.438 92 V N 5.271 125.295 119.914 0.183 0.000 2.357 92 V HA 0.840 5.306 4.120 0.148 -0.257 0.284 92 V C -0.922 175.350 176.094 0.296 0.000 1.018 92 V CA -1.040 61.360 62.300 0.167 0.000 0.841 92 V CB 0.751 32.601 31.823 0.045 0.000 0.991 92 V HN 0.225 8.476 8.190 0.101 0.000 0.437 93 F N 4.614 124.651 119.950 0.144 0.000 2.675 93 F HA 0.551 5.168 4.527 0.151 0.000 0.324 93 F C -2.939 172.954 175.800 0.154 0.000 1.106 93 F CA -2.723 55.380 58.000 0.173 0.000 0.970 93 F CB 3.029 42.173 39.000 0.240 0.000 1.385 93 F HN 0.408 8.797 8.300 0.149 0.000 0.489 94 S N -1.466 114.291 115.700 0.095 0.000 2.536 94 S HA 0.611 5.083 4.470 -0.236 -0.143 0.298 94 S C 1.265 175.923 174.600 0.096 0.000 1.083 94 S CA -3.539 54.635 58.200 -0.043 0.000 0.995 94 S CB 2.574 65.802 63.200 0.048 0.000 1.058 94 S HN 0.009 8.550 8.310 0.385 0.000 0.488 95 I N 2.099 122.673 120.570 0.006 0.000 3.550 95 I HA 0.035 4.351 4.170 0.243 0.000 0.295 95 I C 0.110 176.294 176.117 0.112 0.000 1.291 95 I CA 0.548 61.910 61.300 0.105 0.000 1.298 95 I CB -1.707 36.318 38.000 0.041 0.000 1.026 95 I HN 0.548 8.717 8.210 -0.070 0.000 0.491 96 T N -4.769 109.852 114.554 0.111 0.000 3.067 96 T HA 0.022 4.565 4.350 0.081 -0.144 0.257 96 T C 0.265 175.049 174.700 0.141 0.000 1.105 96 T CA 0.278 62.440 62.100 0.102 0.000 1.104 96 T CB 0.486 69.401 68.868 0.078 0.000 0.925 96 T HN -0.065 8.149 8.240 0.104 0.089 0.498 97 E N 2.091 122.412 120.200 0.202 0.000 2.102 97 E HA 0.222 4.684 4.350 0.187 0.000 0.263 97 E C -1.506 175.263 176.600 0.282 0.000 0.894 97 E CA -1.368 55.168 56.400 0.227 0.000 0.746 97 E CB 0.458 30.298 29.700 0.233 0.000 1.129 97 E HN -0.430 7.905 8.360 0.231 0.163 0.416 98 H N 6.823 125.979 119.070 0.142 0.000 2.495 98 H HA -0.265 4.382 4.556 0.153 0.000 0.287 98 H C 0.962 176.390 175.328 0.167 0.000 1.033 98 H CA 3.832 59.964 56.048 0.140 0.000 1.307 98 H CB 0.866 30.669 29.762 0.069 0.000 1.401 98 H HN 0.533 8.983 8.280 0.284 0.000 0.555 99 E N -0.417 119.870 120.200 0.145 0.000 2.047 99 E HA -0.351 4.017 4.350 0.031 0.000 0.191 99 E C 1.676 178.276 176.600 -0.001 0.000 0.987 99 E CA 3.432 59.869 56.400 0.062 0.000 0.799 99 E CB -0.327 29.431 29.700 0.097 0.000 0.752 99 E HN 0.369 8.817 8.360 0.203 0.034 0.449 100 S N -2.763 112.993 115.700 0.093 0.000 2.453 100 S HA -0.226 4.293 4.470 0.082 0.000 0.231 100 S C 1.301 175.826 174.600 -0.125 0.000 1.005 100 S CA 2.463 60.730 58.200 0.111 0.000 0.949 100 S CB -0.290 63.097 63.200 0.312 0.000 0.774 100 S HN -0.047 8.361 8.310 0.163 0.000 0.510 101 F N 4.195 123.909 119.950 -0.393 0.000 2.102 101 F HA -0.237 3.414 4.527 -1.459 0.000 0.298 101 F C 0.863 176.332 175.800 -0.552 0.000 1.105 101 F CA 3.337 60.868 58.000 -0.780 0.000 1.239 101 F CB 0.258 38.919 39.000 -0.566 0.000 0.991 101 F HN -0.749 7.494 8.300 0.075 0.102 0.474 102 T N 1.508 115.764 114.554 -0.496 0.000 2.867 102 T HA -0.392 3.602 4.350 -0.593 0.000 0.268 102 T C 1.616 176.045 174.700 -0.452 0.000 1.057 102 T CA 4.448 66.264 62.100 -0.474 0.000 1.136 102 T CB -0.256 68.449 68.868 -0.273 0.000 0.874 102 T HN -0.162 7.895 8.240 -0.305 0.000 0.466 103 A N 0.566 123.110 122.820 -0.460 0.000 2.119 103 A HA -0.136 3.831 4.320 -0.589 0.000 0.217 103 A C 0.812 177.773 177.584 -1.038 0.000 1.153 103 A CA 2.131 53.748 52.037 -0.699 0.000 0.692 103 A CB -0.871 17.742 19.000 -0.646 0.000 0.799 103 A HN -0.080 7.726 8.150 -0.367 0.124 0.458 104 T N -2.172 112.034 114.554 -0.580 0.000 2.759 104 T HA -0.442 4.001 4.350 0.154 0.000 0.269 104 T C 1.598 176.232 174.700 -0.110 0.000 1.042 104 T CA 3.930 65.924 62.100 -0.177 0.000 1.140 104 T CB -0.299 68.505 68.868 -0.106 0.000 0.864 104 T HN -0.486 7.253 8.240 -0.556 0.167 0.455 105 A N 0.459 123.168 122.820 -0.185 0.000 1.930 105 A HA -0.223 3.957 4.320 -0.234 0.000 0.217 105 A C 1.918 179.337 177.584 -0.275 0.000 1.175 105 A CA 2.881 54.801 52.037 -0.195 0.000 0.627 105 A CB -0.900 18.014 19.000 -0.144 0.000 0.815 105 A HN -0.501 7.473 8.150 -0.279 0.009 0.443 106 E N -0.330 119.654 120.200 -0.360 0.000 2.047 106 E HA -0.269 3.950 4.350 -0.218 0.000 0.191 106 E C 2.331 178.810 176.600 -0.202 0.000 0.987 106 E CA 2.614 58.827 56.400 -0.312 0.000 0.799 106 E CB -0.339 29.126 29.700 -0.393 0.000 0.752 106 E HN -0.349 7.626 8.360 -0.452 0.114 0.449 107 F N -1.411 118.480 119.950 -0.097 0.000 2.126 107 F HA -0.357 4.136 4.527 -0.057 0.000 0.299 107 F C 2.210 177.845 175.800 -0.276 0.000 1.096 107 F CA 2.838 60.767 58.000 -0.118 0.000 1.255 107 F CB -0.936 38.026 39.000 -0.063 0.000 0.997 107 F HN 0.095 7.927 8.300 -0.780 0.000 0.479 108 R N -0.464 119.958 120.500 -0.131 0.000 2.080 108 R HA -0.467 3.651 4.340 -0.369 0.000 0.236 108 R C 2.207 178.305 176.300 -0.337 0.000 1.137 108 R CA 3.894 59.793 56.100 -0.333 0.000 0.943 108 R CB -0.244 29.737 30.300 -0.531 0.000 0.846 108 R HN 0.077 8.288 8.270 -0.100 0.000 0.431 109 E N -1.580 118.461 120.200 -0.265 0.000 2.150 109 E HA -0.361 3.851 4.350 -0.231 0.000 0.193 109 E C 2.271 178.776 176.600 -0.158 0.000 0.985 109 E CA 2.849 59.123 56.400 -0.210 0.000 0.814 109 E CB -0.302 29.295 29.700 -0.172 0.000 0.752 109 E HN -0.154 8.054 8.360 -0.252 0.000 0.466 110 Q N -0.534 119.196 119.800 -0.116 0.000 2.096 110 Q HA -0.303 4.047 4.340 0.016 0.000 0.204 110 Q C 2.678 178.603 176.000 -0.126 0.000 0.982 110 Q CA 2.907 58.696 55.803 -0.024 0.000 0.850 110 Q CB -0.447 28.378 28.738 0.144 0.000 0.901 110 Q HN -0.017 8.116 8.270 -0.108 0.073 0.422 111 I N -0.419 119.897 120.570 -0.423 0.000 2.252 111 I HA -0.539 3.226 4.170 -0.676 0.000 0.245 111 I C 1.644 177.562 176.117 -0.330 0.000 1.102 111 I CA 3.910 64.826 61.300 -0.640 0.000 1.385 111 I CB -0.131 37.206 38.000 -1.105 0.000 1.064 111 I HN -0.169 7.695 8.210 -0.437 0.084 0.414 112 L N -0.513 120.546 121.223 -0.273 0.000 2.131 112 L HA -0.182 4.229 4.340 -0.172 -0.175 0.210 112 L C 2.560 179.366 176.870 -0.106 0.000 1.092 112 L CA 2.719 57.451 54.840 -0.180 0.000 0.759 112 L CB -1.021 40.927 42.059 -0.185 0.000 0.903 112 L HN -0.177 7.794 8.230 -0.308 0.075 0.435 113 R N -2.654 117.796 120.500 -0.084 0.000 2.189 113 R HA -0.206 4.110 4.340 -0.040 0.000 0.218 113 R C 0.976 177.274 176.300 -0.004 0.000 1.074 113 R CA 2.235 58.314 56.100 -0.035 0.000 0.991 113 R CB 0.517 30.808 30.300 -0.016 0.000 0.883 113 R HN 0.012 8.102 8.270 -0.105 0.118 0.457 114 V N -8.019 111.900 119.914 0.008 0.000 3.635 114 V HA 0.211 4.358 4.120 0.045 0.000 0.266 114 V C -0.391 175.728 176.094 0.040 0.000 1.316 114 V CA 0.256 62.587 62.300 0.052 0.000 1.060 114 V CB 1.660 33.565 31.823 0.137 0.000 0.820 114 V HN -0.606 7.412 8.190 -0.025 0.157 0.447 115 K N 0.598 120.998 120.400 -0.000 0.000 2.578 115 K HA 0.293 4.630 4.320 0.028 0.000 0.250 115 K C -2.016 174.569 176.600 -0.024 0.000 0.955 115 K CA -0.540 55.752 56.287 0.008 0.000 0.825 115 K CB 1.934 34.455 32.500 0.036 0.000 1.151 115 K HN -0.128 7.997 8.250 -0.041 0.100 0.432 116 A N 3.889 126.701 122.820 -0.012 0.000 1.998 116 A HA 0.217 4.517 4.320 -0.034 0.000 0.180 116 A C 0.214 177.792 177.584 -0.010 0.000 1.858 116 A CA 1.664 53.687 52.037 -0.023 0.000 1.403 116 A CB 0.813 19.793 19.000 -0.033 0.000 1.550 116 A HN 0.490 8.642 8.150 0.002 0.000 0.385 117 E N -0.614 119.586 120.200 -0.001 0.000 2.479 117 E HA 0.041 4.390 4.350 -0.002 0.000 0.193 117 E C -0.520 176.085 176.600 0.009 0.000 1.049 117 E CA -0.055 56.346 56.400 0.002 0.000 0.870 117 E CB 0.190 29.892 29.700 0.003 0.000 0.944 117 E HN 0.341 8.703 8.360 0.002 0.000 0.492 118 E N -0.079 120.130 120.200 0.015 0.000 3.188 118 E HA 0.043 4.406 4.350 0.021 0.000 0.262 118 E C -0.462 176.150 176.600 0.021 0.000 1.341 118 E CA -0.668 55.746 56.400 0.023 0.000 1.140 118 E CB 0.506 30.228 29.700 0.037 0.000 1.306 118 E HN -0.584 7.705 8.360 0.014 0.079 0.694 119 D N -0.472 119.943 120.400 0.026 0.000 2.087 119 D HA -0.161 4.490 4.640 0.019 0.000 0.210 119 D C 0.160 176.475 176.300 0.025 0.000 0.973 119 D CA 1.949 55.964 54.000 0.025 0.000 0.882 119 D CB 0.258 41.075 40.800 0.028 0.000 1.019 119 D HN 0.292 8.680 8.370 0.031 0.000 0.450 120 K N -2.419 118.002 120.400 0.035 0.000 2.523 120 K HA 0.270 4.604 4.320 0.024 0.000 0.257 120 K C -1.574 175.059 176.600 0.055 0.000 0.932 120 K CA -0.963 55.345 56.287 0.035 0.000 0.812 120 K CB 3.235 35.756 32.500 0.034 0.000 1.326 120 K HN 0.096 8.371 8.250 0.042 0.000 0.433 121 I N 2.975 123.576 120.570 0.053 0.000 2.307 121 I HA 0.363 4.619 4.170 0.142 0.000 0.287 121 I C -1.869 174.309 176.117 0.101 0.000 1.054 121 I CA -3.075 58.283 61.300 0.096 0.000 1.218 121 I CB 0.394 38.423 38.000 0.048 0.000 1.398 121 I HN 0.173 8.400 8.210 0.028 0.000 0.475 122 P HA 0.115 4.587 4.420 0.087 0.000 0.276 122 P C -1.541 175.847 177.300 0.146 0.000 1.253 122 P CA -0.490 62.673 63.100 0.104 0.000 0.766 122 P CB 0.291 32.033 31.700 0.069 0.000 0.845 123 L N 3.578 124.881 121.223 0.134 0.000 2.333 123 L HA 0.558 5.167 4.340 0.195 -0.152 0.280 123 L C -1.518 175.448 176.870 0.159 0.000 1.004 123 L CA -1.122 53.818 54.840 0.167 0.000 0.820 123 L CB 3.120 45.279 42.059 0.168 0.000 1.247 123 L HN 0.158 8.458 8.230 0.117 0.000 0.416 124 L N 4.401 125.707 121.223 0.138 0.000 2.404 124 L HA 0.539 4.955 4.340 0.127 0.000 0.272 124 L C -2.338 174.610 176.870 0.130 0.000 0.980 124 L CA -1.458 53.444 54.840 0.103 0.000 0.836 124 L CB 3.825 45.890 42.059 0.010 0.000 1.238 124 L HN 0.618 8.932 8.230 0.140 0.000 0.408 125 V N 8.442 128.473 119.914 0.195 0.000 2.406 125 V HA 0.136 4.575 4.120 0.288 -0.146 0.272 125 V C -1.158 175.013 176.094 0.129 0.000 1.043 125 V CA -0.020 62.452 62.300 0.285 0.000 0.915 125 V CB 0.223 32.318 31.823 0.454 0.000 0.988 125 V HN -0.103 8.207 8.190 0.201 0.000 0.466 126 V N 8.163 128.114 119.914 0.061 0.000 2.384 126 V HA 0.322 4.389 4.120 -0.290 -0.120 0.287 126 V C -1.056 174.897 176.094 -0.235 0.000 1.020 126 V CA -1.526 60.681 62.300 -0.155 0.000 0.850 126 V CB 1.725 33.465 31.823 -0.138 0.000 0.987 126 V HN 1.042 9.205 8.190 0.163 0.125 0.436 127 G N 6.197 114.697 108.800 -0.500 0.000 2.329 127 G HA2 0.221 3.945 3.960 -0.690 0.000 0.309 127 G HA3 0.221 3.863 3.960 -0.529 0.000 0.309 127 G C -2.707 172.005 174.900 -0.314 0.000 1.110 127 G CA -1.256 43.535 45.100 -0.515 0.000 0.923 127 G HN 0.708 8.588 8.290 -0.682 0.000 0.430 128 N N 5.115 123.670 118.700 -0.242 0.000 2.472 128 N HA 0.383 5.234 4.740 -0.101 -0.171 0.289 128 N C 0.105 175.566 175.510 -0.081 0.000 1.156 128 N CA -1.651 51.330 53.050 -0.115 0.000 0.940 128 N CB 2.929 41.384 38.487 -0.053 0.000 1.200 128 N HN 0.378 8.576 8.380 -0.303 0.000 0.511 129 K N -0.132 120.250 120.400 -0.031 0.000 3.235 129 K HA -0.342 4.205 4.320 0.014 -0.219 0.273 129 K C 0.008 176.598 176.600 -0.017 0.000 1.183 129 K CA 1.148 57.432 56.287 -0.006 0.000 0.807 129 K CB -2.936 29.569 32.500 0.008 0.000 1.297 129 K HN 0.244 8.483 8.250 -0.018 0.000 0.508 130 S N -1.371 114.313 115.700 -0.027 0.000 2.803 130 S HA -0.174 4.285 4.470 -0.019 0.000 0.226 130 S C -0.067 174.528 174.600 -0.007 0.000 0.962 130 S CA 2.568 60.756 58.200 -0.021 0.000 0.968 130 S CB -0.194 62.989 63.200 -0.029 0.000 0.786 130 S HN -0.367 7.922 8.310 -0.034 0.000 0.527 131 D N -1.680 118.719 120.400 -0.002 0.000 2.369 131 D HA 0.049 4.688 4.640 -0.002 0.000 0.211 131 D C 0.804 177.106 176.300 0.004 0.000 1.077 131 D CA 0.211 54.211 54.000 0.001 0.000 0.842 131 D CB -0.068 40.733 40.800 0.002 0.000 0.947 131 D HN -0.142 8.074 8.370 0.000 0.154 0.509 132 L N -3.743 117.484 121.223 0.007 0.000 2.102 132 L HA 0.101 4.448 4.340 0.012 0.000 0.202 132 L C 1.009 177.884 176.870 0.008 0.000 1.076 132 L CA 1.233 56.079 54.840 0.011 0.000 0.761 132 L CB 0.224 42.293 42.059 0.017 0.000 0.921 132 L HN -0.558 7.623 8.230 0.005 0.052 0.444 133 E N -1.910 118.293 120.200 0.006 0.000 4.072 133 E HA -0.663 3.689 4.350 0.004 0.000 0.199 133 E C 1.439 178.042 176.600 0.005 0.000 1.247 133 E CA 2.734 59.136 56.400 0.005 0.000 2.229 133 E CB -1.537 28.164 29.700 0.003 0.000 1.859 133 E HN 0.271 8.634 8.360 0.005 0.000 0.321 134 E N -1.278 118.925 120.200 0.005 0.000 2.358 134 E HA -0.130 4.221 4.350 0.002 0.000 0.195 134 E C 0.638 177.242 176.600 0.007 0.000 1.010 134 E CA 1.534 57.937 56.400 0.004 0.000 0.856 134 E CB -0.008 29.694 29.700 0.003 0.000 0.795 134 E HN 0.014 8.334 8.360 0.005 0.042 0.504 135 R N -1.717 118.790 120.500 0.012 0.000 2.319 135 R HA -0.004 4.345 4.340 0.016 0.000 0.204 135 R C -0.166 176.147 176.300 0.021 0.000 0.954 135 R CA -0.547 55.563 56.100 0.018 0.000 1.066 135 R CB -0.111 30.203 30.300 0.023 0.000 0.991 135 R HN -0.816 7.414 8.270 0.012 0.047 0.486 136 R N 0.153 120.662 120.500 0.015 0.000 2.446 136 R HA -0.335 4.162 4.340 0.027 -0.141 0.314 136 R C 0.403 176.710 176.300 0.013 0.000 1.003 136 R CA 1.513 57.623 56.100 0.016 0.000 1.018 136 R CB -0.283 30.020 30.300 0.004 0.000 0.945 136 R HN -0.780 7.383 8.270 0.010 0.113 0.419 137 Q N 5.821 125.640 119.800 0.031 0.000 2.350 137 Q HA 0.183 4.522 4.340 -0.001 0.000 0.225 137 Q C 0.028 176.038 176.000 0.017 0.000 0.878 137 Q CA -0.014 55.804 55.803 0.025 0.000 0.935 137 Q CB 1.784 30.558 28.738 0.059 0.000 1.099 137 Q HN 0.839 9.025 8.270 0.051 0.115 0.527 138 V N 1.671 121.597 119.914 0.019 0.000 2.483 138 V HA 0.434 4.518 4.120 -0.060 0.000 0.297 138 V C -3.132 172.886 176.094 -0.126 0.000 1.027 138 V CA -4.063 58.197 62.300 -0.067 0.000 0.855 138 V CB 2.602 34.340 31.823 -0.142 0.000 0.995 138 V HN -0.412 7.800 8.190 0.036 0.000 0.424 139 P HA 0.123 4.499 4.420 -0.073 0.000 0.267 139 P C 0.705 177.913 177.300 -0.154 0.000 1.205 139 P CA -0.714 62.314 63.100 -0.120 0.000 0.765 139 P CB 1.101 32.737 31.700 -0.106 0.000 0.828 140 V N 5.546 125.414 119.914 -0.078 0.000 2.720 140 V HA -0.536 3.520 4.120 -0.107 0.000 0.256 140 V C 1.910 177.941 176.094 -0.107 0.000 1.082 140 V CA 3.692 65.952 62.300 -0.066 0.000 1.101 140 V CB 0.067 31.921 31.823 0.052 0.000 0.693 140 V HN 0.264 8.429 8.190 -0.042 0.000 0.479 141 E N 0.037 120.188 120.200 -0.082 0.000 2.058 141 E HA -0.349 3.973 4.350 -0.047 0.000 0.194 141 E C 1.902 178.448 176.600 -0.091 0.000 0.997 141 E CA 3.737 60.097 56.400 -0.068 0.000 0.801 141 E CB -0.320 29.350 29.700 -0.050 0.000 0.746 141 E HN 0.644 8.916 8.360 -0.072 0.045 0.450 142 E N -2.184 117.946 120.200 -0.118 0.000 2.230 142 E HA -0.140 4.176 4.350 -0.056 0.000 0.192 142 E C 2.095 178.647 176.600 -0.081 0.000 0.987 142 E CA 1.902 58.252 56.400 -0.084 0.000 0.841 142 E CB -0.429 29.233 29.700 -0.063 0.000 0.783 142 E HN -0.588 7.687 8.360 -0.143 0.000 0.481 143 A N 0.906 123.609 122.820 -0.195 0.000 1.902 143 A HA -0.352 4.069 4.320 0.169 0.000 0.217 143 A C 2.172 179.453 177.584 -0.504 0.000 1.181 143 A CA 3.142 55.025 52.037 -0.258 0.000 0.623 143 A CB -0.497 18.230 19.000 -0.455 0.000 0.818 143 A HN -0.516 7.401 8.150 -0.253 0.081 0.443 144 R N -2.939 117.329 120.500 -0.386 0.000 2.115 144 R HA -0.282 3.947 4.340 -0.184 0.000 0.226 144 R C 2.399 178.617 176.300 -0.137 0.000 1.100 144 R CA 3.077 59.059 56.100 -0.195 0.000 0.980 144 R CB -0.196 30.077 30.300 -0.044 0.000 0.875 144 R HN 0.585 8.562 8.270 -0.302 0.112 0.445 145 S N -0.369 115.252 115.700 -0.130 0.000 2.382 145 S HA -0.240 4.186 4.470 -0.072 0.000 0.228 145 S C 1.832 176.330 174.600 -0.170 0.000 1.027 145 S CA 3.428 61.566 58.200 -0.102 0.000 0.991 145 S CB -0.347 62.814 63.200 -0.065 0.000 0.823 145 S HN -0.360 7.780 8.310 -0.131 0.092 0.469 146 K N 0.210 120.444 120.400 -0.276 0.000 2.097 146 K HA -0.235 3.774 4.320 -0.519 0.000 0.205 146 K C 2.055 178.244 176.600 -0.684 0.000 1.050 146 K CA 2.252 58.193 56.287 -0.578 0.000 0.938 146 K CB -0.518 31.534 32.500 -0.747 0.000 0.718 146 K HN -0.059 7.856 8.250 -0.227 0.199 0.442 147 A N -0.706 121.884 122.820 -0.382 0.000 1.883 147 A HA -0.315 3.899 4.320 -0.178 0.000 0.217 147 A C 1.464 179.006 177.584 -0.070 0.000 1.186 147 A CA 3.502 55.439 52.037 -0.167 0.000 0.624 147 A CB -0.897 18.103 19.000 0.001 0.000 0.822 147 A HN -0.383 7.485 8.150 -0.326 0.086 0.444 148 E N -1.311 118.849 120.200 -0.068 0.000 2.106 148 E HA -0.365 3.996 4.350 0.020 0.000 0.192 148 E C 2.063 178.672 176.600 0.014 0.000 0.984 148 E CA 2.613 59.006 56.400 -0.011 0.000 0.806 148 E CB -0.082 29.609 29.700 -0.014 0.000 0.750 148 E HN -0.392 7.840 8.360 -0.096 0.071 0.458 149 E N -0.355 119.824 120.200 -0.035 0.000 2.110 149 E HA -0.232 4.166 4.350 0.079 0.000 0.193 149 E C 1.757 178.536 176.600 0.297 0.000 0.988 149 E CA 2.466 58.908 56.400 0.071 0.000 0.804 149 E CB 0.097 29.793 29.700 -0.006 0.000 0.745 149 E HN -0.032 8.044 8.360 -0.131 0.206 0.458 150 W N -4.412 116.885 121.300 -0.006 0.000 3.211 150 W HA 0.099 4.749 4.660 -0.018 0.000 0.292 150 W C 0.331 176.853 176.519 0.006 0.000 1.268 150 W CA -1.560 55.780 57.345 -0.008 0.000 1.702 150 W CB 0.460 29.913 29.460 -0.013 0.000 1.092 150 W HN -0.374 7.728 8.180 0.048 0.108 0.643 151 G N -0.807 108.115 108.800 0.203 0.000 2.198 151 G HA2 -0.367 3.650 3.960 0.095 0.000 0.257 151 G HA3 -0.367 3.662 3.960 0.116 0.000 0.257 151 G C -0.766 174.211 174.900 0.128 0.000 1.042 151 G CA 0.648 45.826 45.100 0.129 0.000 0.791 151 G HN -0.520 7.685 8.290 0.166 0.184 0.502 152 V N -6.147 113.854 119.914 0.146 0.000 3.184 152 V HA 0.455 4.646 4.120 0.118 0.000 0.308 152 V C -1.832 174.326 176.094 0.106 0.000 1.243 152 V CA -3.127 59.256 62.300 0.138 0.000 1.058 152 V CB 2.347 34.292 31.823 0.202 0.000 1.183 152 V HN -0.224 7.951 8.190 0.145 0.102 0.471 153 Q N -2.453 117.412 119.800 0.108 0.000 2.301 153 Q HA 0.306 4.707 4.340 0.102 0.000 0.267 153 Q C -2.002 174.091 176.000 0.155 0.000 1.035 153 Q CA -1.733 54.133 55.803 0.104 0.000 0.856 153 Q CB 2.694 31.471 28.738 0.066 0.000 1.337 153 Q HN 0.241 8.578 8.270 0.112 0.000 0.450 154 Y N 2.962 123.270 120.300 0.013 0.000 2.331 154 Y HA 0.641 5.395 4.550 0.030 -0.186 0.334 154 Y C -0.989 174.916 175.900 0.008 0.000 0.960 154 Y CA -1.149 56.962 58.100 0.018 0.000 1.130 154 Y CB 1.441 39.913 38.460 0.020 0.000 1.164 154 Y HN 0.139 8.538 8.280 0.198 0.000 0.458 155 V N 8.489 128.106 119.914 -0.494 0.000 2.540 155 V HA 0.269 4.253 4.120 -0.226 0.000 0.302 155 V C -1.502 174.274 176.094 -0.532 0.000 1.035 155 V CA -1.602 60.477 62.300 -0.368 0.000 0.873 155 V CB 3.177 34.883 31.823 -0.194 0.000 0.992 155 V HN 0.183 8.025 8.190 -0.581 0.000 0.428 156 E N 6.701 126.703 120.200 -0.330 0.000 2.259 156 E HA 0.260 4.530 4.350 -0.356 -0.133 0.281 156 E C -0.847 175.659 176.600 -0.155 0.000 1.027 156 E CA 0.122 56.372 56.400 -0.251 0.000 0.838 156 E CB 1.136 30.765 29.700 -0.119 0.000 1.066 156 E HN 0.450 8.683 8.360 -0.211 0.000 0.401 157 T N 1.491 115.959 114.554 -0.142 0.000 2.838 157 T HA 0.637 5.123 4.350 -0.046 -0.163 0.292 157 T C -1.625 173.052 174.700 -0.038 0.000 1.113 157 T CA -2.097 59.960 62.100 -0.072 0.000 1.008 157 T CB 3.487 72.314 68.868 -0.069 0.000 1.259 157 T HN 0.953 8.989 8.240 -0.178 0.098 0.520 158 S N -1.076 114.629 115.700 0.007 0.000 2.560 158 S HA 0.587 5.362 4.470 0.034 -0.284 0.283 158 S C -1.302 173.347 174.600 0.083 0.000 1.141 158 S CA -1.165 57.057 58.200 0.036 0.000 0.902 158 S CB 1.813 65.028 63.200 0.024 0.000 1.104 158 S HN -0.348 7.975 8.310 0.021 0.000 0.454 159 A N 7.224 130.124 122.820 0.135 0.000 2.218 159 A HA 0.010 4.440 4.320 0.183 0.000 0.209 159 A C -0.339 177.406 177.584 0.268 0.000 1.168 159 A CA 1.136 53.304 52.037 0.219 0.000 0.804 159 A CB -0.102 19.044 19.000 0.245 0.000 0.834 159 A HN 0.636 8.984 8.150 0.127 -0.121 0.482 160 K N -2.902 117.589 120.400 0.152 0.000 2.021 160 K HA -0.069 4.172 4.320 -0.133 0.000 0.205 160 K C 1.657 178.230 176.600 -0.045 0.000 1.047 160 K CA 2.359 58.646 56.287 -0.001 0.000 0.943 160 K CB 0.323 32.824 32.500 0.002 0.000 0.725 160 K HN -0.498 7.766 8.250 0.130 0.065 0.439 161 T N -4.042 110.511 114.554 -0.001 0.000 3.067 161 T HA -0.028 4.305 4.350 -0.028 0.000 0.257 161 T C 0.201 174.912 174.700 0.018 0.000 1.105 161 T CA 0.321 62.417 62.100 -0.006 0.000 1.104 161 T CB 0.644 69.511 68.868 -0.002 0.000 0.925 161 T HN -0.764 7.488 8.240 0.021 0.000 0.498 162 R N -1.542 118.987 120.500 0.049 0.000 3.076 162 R HA -0.477 4.016 4.340 0.097 -0.094 0.261 162 R C -1.931 174.405 176.300 0.060 0.000 0.930 162 R CA 0.873 57.016 56.100 0.072 0.000 0.649 162 R CB -2.930 27.413 30.300 0.071 0.000 1.350 162 R HN -0.462 7.803 8.270 0.060 0.041 0.453 163 A N -1.014 121.838 122.820 0.053 0.000 2.374 163 A HA 0.332 4.681 4.320 0.049 0.000 0.305 163 A C -1.236 176.373 177.584 0.042 0.000 1.053 163 A CA -1.385 50.677 52.037 0.042 0.000 0.726 163 A CB 2.850 21.863 19.000 0.021 0.000 1.229 163 A HN -0.428 7.755 8.150 0.054 0.000 0.431 164 N N 0.152 118.884 118.700 0.053 0.000 2.800 164 N HA -0.359 4.420 4.740 0.064 0.000 0.250 164 N C 0.501 176.055 175.510 0.072 0.000 1.078 164 N CA 1.696 54.775 53.050 0.048 0.000 0.804 164 N CB -1.190 37.297 38.487 -0.000 0.000 1.135 164 N HN 0.622 9.039 8.380 0.061 0.000 0.565 165 V N -1.218 118.768 119.914 0.119 0.000 2.379 165 V HA -0.363 3.855 4.120 0.163 0.000 0.245 165 V C 1.012 177.256 176.094 0.249 0.000 1.044 165 V CA 3.786 66.198 62.300 0.187 0.000 1.036 165 V CB -0.433 31.512 31.823 0.202 0.000 0.664 165 V HN 0.117 8.319 8.190 0.114 0.057 0.453 166 D N -0.725 119.830 120.400 0.258 0.000 2.097 166 D HA -0.232 4.600 4.640 0.320 0.000 0.195 166 D C 2.134 178.633 176.300 0.332 0.000 0.989 166 D CA 3.815 58.034 54.000 0.365 0.000 0.827 166 D CB -0.718 40.385 40.800 0.504 0.000 0.966 166 D HN 0.056 8.564 8.370 0.230 0.000 0.456 167 K N -0.700 119.842 120.400 0.237 0.000 2.001 167 K HA -0.254 4.205 4.320 0.232 0.000 0.214 167 K C 2.130 178.776 176.600 0.076 0.000 1.050 167 K CA 2.941 59.328 56.287 0.167 0.000 0.934 167 K CB -0.306 32.245 32.500 0.085 0.000 0.718 167 K HN -0.169 8.200 8.250 0.198 0.000 0.443 168 V N -4.435 115.466 119.914 -0.021 0.000 2.469 168 V HA -0.336 3.711 4.120 -0.122 0.000 0.251 168 V C 1.845 177.757 176.094 -0.302 0.000 1.064 168 V CA 3.717 65.916 62.300 -0.168 0.000 1.066 168 V CB -0.801 30.866 31.823 -0.259 0.000 0.667 168 V HN -0.590 7.603 8.190 0.006 0.000 0.461 169 F N -0.159 119.550 119.950 -0.402 0.000 2.098 169 F HA -0.282 3.938 4.527 -0.512 0.000 0.294 169 F C 1.614 177.125 175.800 -0.483 0.000 1.107 169 F CA 4.541 62.138 58.000 -0.671 0.000 1.234 169 F CB 0.143 38.189 39.000 -1.589 0.000 1.002 169 F HN -0.993 7.242 8.300 -0.078 0.018 0.472 170 F N -1.507 118.419 119.950 -0.040 0.000 2.146 170 F HA -0.417 4.106 4.527 -0.007 0.000 0.298 170 F C 1.981 177.747 175.800 -0.057 0.000 1.096 170 F CA 3.643 61.637 58.000 -0.010 0.000 1.275 170 F CB -0.588 38.446 39.000 0.056 0.000 1.008 170 F HN 0.198 8.452 8.300 -0.077 0.000 0.480 171 D N -0.830 119.649 120.400 0.132 0.000 2.104 171 D HA -0.314 4.369 4.640 0.072 0.000 0.194 171 D C 2.328 178.627 176.300 -0.002 0.000 0.994 171 D CA 3.484 57.517 54.000 0.054 0.000 0.830 171 D CB -0.019 40.798 40.800 0.029 0.000 0.959 171 D HN 0.321 8.667 8.370 0.138 0.107 0.452 172 L N -1.210 119.980 121.223 -0.056 0.000 2.093 172 L HA -0.210 4.108 4.340 -0.037 0.000 0.208 172 L C 1.577 178.392 176.870 -0.093 0.000 1.085 172 L CA 2.835 57.630 54.840 -0.074 0.000 0.755 172 L CB 0.056 42.040 42.059 -0.125 0.000 0.904 172 L HN -0.838 7.342 8.230 -0.083 0.000 0.435 173 M N -3.435 116.068 119.600 -0.162 0.000 2.296 173 M HA -0.304 3.992 4.480 -0.306 0.000 0.265 173 M C 1.734 177.850 176.300 -0.306 0.000 1.064 173 M CA 3.132 58.209 55.300 -0.372 0.000 1.109 173 M CB -0.301 31.932 32.600 -0.611 0.000 1.396 173 M HN -0.559 7.647 8.290 -0.140 0.000 0.430 174 R N -1.680 118.759 120.500 -0.103 0.000 2.092 174 R HA -0.272 4.079 4.340 0.019 0.000 0.231 174 R C 2.684 179.002 176.300 0.029 0.000 1.119 174 R CA 2.182 58.281 56.100 -0.002 0.000 0.970 174 R CB -0.769 29.551 30.300 0.033 0.000 0.864 174 R HN -0.160 7.959 8.270 -0.062 0.114 0.440 175 E N -0.270 119.941 120.200 0.017 0.000 2.118 175 E HA -0.242 4.132 4.350 0.041 0.000 0.195 175 E C 2.341 178.973 176.600 0.054 0.000 0.992 175 E CA 2.784 59.205 56.400 0.035 0.000 0.804 175 E CB -0.297 29.421 29.700 0.030 0.000 0.741 175 E HN -0.820 7.461 8.360 -0.002 0.077 0.458 176 I N -1.940 118.666 120.570 0.061 0.000 2.335 176 I HA -0.478 3.743 4.170 0.086 0.000 0.251 176 I C 1.704 177.901 176.117 0.134 0.000 1.129 176 I CA 4.002 65.370 61.300 0.114 0.000 1.402 176 I CB -0.468 37.657 38.000 0.209 0.000 1.069 176 I HN -0.544 7.569 8.210 0.023 0.112 0.424 177 R N -1.197 119.394 120.500 0.150 0.000 2.075 177 R HA -0.284 4.133 4.340 0.128 0.000 0.232 177 R C 2.227 178.574 176.300 0.078 0.000 1.126 177 R CA 4.299 60.475 56.100 0.127 0.000 0.963 177 R CB -0.509 29.872 30.300 0.135 0.000 0.858 177 R HN -0.526 7.695 8.270 0.143 0.135 0.435 178 T N 0.380 114.975 114.554 0.067 0.000 2.788 178 T HA -0.275 4.103 4.350 0.046 0.000 0.268 178 T C 1.701 176.429 174.700 0.047 0.000 1.044 178 T CA 4.489 66.619 62.100 0.051 0.000 1.139 178 T CB -0.877 68.018 68.868 0.045 0.000 0.867 178 T HN -0.652 7.548 8.240 0.070 0.082 0.454 179 K N 0.426 120.858 120.400 0.053 0.000 2.097 179 K HA -0.280 4.065 4.320 0.042 0.000 0.205 179 K C 2.230 178.856 176.600 0.043 0.000 1.050 179 K CA 2.625 58.941 56.287 0.048 0.000 0.938 179 K CB -0.523 32.009 32.500 0.054 0.000 0.718 179 K HN -0.290 7.908 8.250 0.060 0.088 0.442 180 K N -2.500 117.929 120.400 0.048 0.000 2.288 180 K HA -0.204 4.135 4.320 0.033 0.000 0.201 180 K C 1.386 178.005 176.600 0.031 0.000 1.048 180 K CA 1.267 57.577 56.287 0.037 0.000 0.956 180 K CB -0.178 32.344 32.500 0.037 0.000 0.746 180 K HN -0.136 8.068 8.250 0.060 0.082 0.461 181 M N -4.109 115.511 119.600 0.034 0.000 2.447 181 M HA -0.080 4.414 4.480 0.024 0.000 0.264 181 M C -0.084 176.231 176.300 0.025 0.000 1.095 181 M CA 1.646 56.963 55.300 0.028 0.000 1.125 181 M CB 1.005 33.623 32.600 0.031 0.000 1.389 181 M HN -0.290 7.904 8.290 0.041 0.121 0.459 182 S N -3.466 112.250 115.700 0.027 0.000 3.795 182 S HA -0.379 4.106 4.470 0.025 0.000 0.682 182 S C -0.884 173.729 174.600 0.022 0.000 1.792 182 S CA 1.596 59.810 58.200 0.023 0.000 1.892 182 S CB -0.721 62.490 63.200 0.019 0.000 0.343 182 S HN -0.519 7.650 8.310 0.031 0.160 1.341 183 E N 1.900 122.112 120.200 0.019 0.000 2.175 183 E HA 0.011 4.372 4.350 0.019 0.000 0.193 183 E C -0.495 176.114 176.600 0.015 0.000 0.962 183 E CA 0.391 56.801 56.400 0.017 0.000 0.981 183 E CB 1.258 30.968 29.700 0.017 0.000 1.093 183 E HN 0.357 8.728 8.360 0.018 0.000 0.483 184 N N 1.161 119.869 118.700 0.013 0.000 2.714 184 N HA -0.214 4.532 4.740 0.010 0.000 0.253 184 N C -1.605 173.912 175.510 0.010 0.000 1.024 184 N CA 0.807 53.863 53.050 0.011 0.000 0.726 184 N CB -1.238 37.255 38.487 0.010 0.000 0.908 184 N HN 0.069 8.457 8.380 0.013 0.000 0.542 185 K N 0.000 120.406 120.400 0.010 0.000 2.780 185 K HA 0.000 4.326 4.320 0.009 0.000 0.191 185 K CA 0.000 56.293 56.287 0.010 0.000 0.838 185 K CB 0.000 32.507 32.500 0.011 0.000 1.064 185 K HN 0.000 8.256 8.250 0.011 0.000 0.543