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 1a66_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKDWQLPSHS GPYELRIEVQ PKSHHRARYE TEGSRGAVKA SAGGHPIVQL DATA SEQUENCE HGYLENEPLM LQLFIGTADD RLLRPHAFYQ VHRITGKTVS TTSHEAILSN DATA SEQUENCE TKVLEIPLLP ENSMRAVIDC AGILKLRNSD IELRKGETDI GRKNTRVRLV DATA SEQUENCE FRVHVPQPSG RTLSLQVASN PIECSQRS 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 1 M HA 0.000 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 2.265 122.685 120.400 0.034 0.000 2.557 2 K HA 0.214 4.561 4.320 0.045 0.000 0.257 2 K C -1.873 174.775 176.600 0.079 0.000 0.933 2 K CA 0.397 56.716 56.287 0.052 0.000 0.820 2 K CB 1.469 34.000 32.500 0.051 0.000 1.330 2 K HN -0.481 7.792 8.250 0.037 0.000 0.432 3 D N 5.295 125.760 120.400 0.108 0.000 2.405 3 D HA 0.132 4.826 4.640 0.091 0.000 0.264 3 D C -0.867 175.546 176.300 0.189 0.000 1.240 3 D CA -0.014 54.051 54.000 0.109 0.000 0.893 3 D CB -0.157 40.681 40.800 0.064 0.000 1.198 3 D HN 0.245 8.683 8.370 0.114 0.000 0.514 4 W N 3.110 124.405 121.300 -0.009 0.000 2.764 4 W HA 0.173 4.823 4.660 -0.017 0.000 0.427 4 W C -1.543 174.972 176.519 -0.007 0.000 0.896 4 W CA -0.456 56.882 57.345 -0.012 0.000 2.307 4 W CB 0.823 30.276 29.460 -0.012 0.000 1.192 4 W HN -0.106 8.233 8.180 0.265 0.000 0.731 5 Q N 3.117 122.827 119.800 -0.150 0.000 2.928 5 Q HA 0.056 4.194 4.340 -0.336 0.000 0.353 5 Q C -1.929 173.966 176.000 -0.175 0.000 0.870 5 Q CA 0.152 55.833 55.803 -0.204 0.000 0.963 5 Q CB -0.042 28.653 28.738 -0.071 0.000 1.419 5 Q HN -0.088 8.083 8.270 -0.043 0.073 0.396 6 L N -3.805 117.268 121.223 -0.250 0.000 2.664 6 L HA 0.326 4.574 4.340 -0.153 0.000 0.239 6 L C -2.394 174.325 176.870 -0.252 0.000 1.198 6 L CA -1.063 53.667 54.840 -0.184 0.000 0.976 6 L CB -0.666 41.328 42.059 -0.109 0.000 1.149 6 L HN -0.258 7.738 8.230 -0.389 0.000 0.614 7 P HA 0.278 4.474 4.420 -0.373 0.000 0.276 7 P C -0.202 176.674 177.300 -0.705 0.000 1.252 7 P CA -0.645 62.161 63.100 -0.491 0.000 0.802 7 P CB 1.590 32.978 31.700 -0.521 0.000 1.035 8 S N -0.515 114.814 115.700 -0.619 0.000 2.497 8 S HA -0.031 4.186 4.470 -0.423 0.000 0.218 8 S C -0.634 173.668 174.600 -0.496 0.000 1.023 8 S CA 0.282 58.191 58.200 -0.484 0.000 0.913 8 S CB 0.503 63.588 63.200 -0.193 0.000 0.800 8 S HN 0.198 8.248 8.310 -0.432 0.000 0.505 9 H N -2.090 116.965 119.070 -0.025 0.000 4.529 9 H HA -0.217 4.345 4.556 0.010 0.000 0.251 9 H C -0.861 174.472 175.328 0.008 0.000 0.542 9 H CA 0.632 56.676 56.048 -0.007 0.000 0.689 9 H CB -0.595 29.152 29.762 -0.024 0.000 0.952 9 H HN -0.360 7.621 8.280 -0.498 0.000 0.325 10 S N 2.665 118.457 115.700 0.153 0.000 2.359 10 S HA 0.200 4.711 4.470 0.069 0.000 0.148 10 S C -0.369 174.228 174.600 -0.006 0.000 1.610 10 S CA 0.038 58.293 58.200 0.091 0.000 1.274 10 S CB 1.265 64.552 63.200 0.144 0.000 1.380 10 S HN -0.099 8.318 8.310 0.179 0.000 0.380 11 G N 6.026 114.798 108.800 -0.047 0.000 2.556 11 G HA2 -0.354 3.532 3.960 -0.124 0.000 0.283 11 G HA3 -0.354 3.448 3.960 -0.264 0.000 0.283 11 G C -2.270 172.493 174.900 -0.229 0.000 1.177 11 G CA 0.777 45.772 45.100 -0.174 0.000 0.978 11 G HN 0.208 8.506 8.290 0.013 0.000 0.554 12 P HA 0.186 4.504 4.420 -0.170 0.000 0.249 12 P C -1.530 175.655 177.300 -0.191 0.000 1.229 12 P CA 0.590 63.480 63.100 -0.349 0.000 0.788 12 P CB 0.388 31.831 31.700 -0.428 0.000 1.072 13 Y N -1.519 118.800 120.300 0.031 0.000 2.496 13 Y HA 0.144 4.687 4.550 -0.012 0.000 0.331 13 Y C -1.817 174.136 175.900 0.089 0.000 1.140 13 Y CA -3.076 55.047 58.100 0.039 0.000 1.166 13 Y CB 2.097 40.596 38.460 0.066 0.000 1.249 13 Y HN -0.416 7.544 8.280 -0.407 0.075 0.479 14 E N -1.247 119.128 120.200 0.292 0.000 2.334 14 E HA 0.255 4.731 4.350 0.211 0.000 0.280 14 E C -2.072 174.655 176.600 0.212 0.000 0.899 14 E CA -0.972 55.573 56.400 0.242 0.000 0.813 14 E CB 3.433 33.293 29.700 0.266 0.000 1.318 14 E HN 0.214 8.626 8.360 0.279 0.115 0.399 15 L N 6.248 127.569 121.223 0.164 0.000 2.264 15 L HA 0.198 4.615 4.340 0.128 0.000 0.287 15 L C -1.145 175.792 176.870 0.112 0.000 1.039 15 L CA -0.264 54.651 54.840 0.126 0.000 0.829 15 L CB 0.767 42.887 42.059 0.102 0.000 1.211 15 L HN 0.377 8.699 8.230 0.155 0.000 0.427 16 R N 4.231 124.792 120.500 0.102 0.000 2.836 16 R HA 0.332 4.736 4.340 0.106 0.000 0.269 16 R C -1.769 174.515 176.300 -0.027 0.000 1.010 16 R CA -2.761 53.400 56.100 0.102 0.000 0.930 16 R CB 3.436 33.879 30.300 0.238 0.000 1.218 16 R HN -0.472 7.861 8.270 0.105 0.000 0.473 17 I N 1.203 121.692 120.570 -0.134 0.000 2.428 17 I HA -0.027 4.093 4.170 -0.231 -0.089 0.289 17 I C 0.136 176.140 176.117 -0.189 0.000 1.019 17 I CA 0.077 61.230 61.300 -0.246 0.000 1.351 17 I CB 0.930 38.687 38.000 -0.405 0.000 1.412 17 I HN 0.388 8.535 8.210 -0.105 0.000 0.513 18 E N 7.626 127.745 120.200 -0.135 0.000 2.726 18 E HA -0.120 4.177 4.350 -0.088 0.000 0.329 18 E C -0.693 175.830 176.600 -0.129 0.000 0.595 18 E CA -0.071 56.269 56.400 -0.100 0.000 1.965 18 E CB 0.525 30.194 29.700 -0.052 0.000 1.717 18 E HN -0.193 7.992 8.360 -0.123 0.101 0.531 19 V N 0.642 120.505 119.914 -0.085 0.000 2.540 19 V HA -0.164 3.903 4.120 -0.089 0.000 0.297 19 V C -0.578 175.452 176.094 -0.106 0.000 1.024 19 V CA 1.701 63.953 62.300 -0.079 0.000 1.105 19 V CB -0.031 31.776 31.823 -0.027 0.000 0.938 19 V HN -0.004 8.152 8.190 -0.057 0.000 0.482 20 Q N 6.585 126.302 119.800 -0.139 0.000 2.282 20 Q HA 0.345 4.599 4.340 -0.144 0.000 0.260 20 Q C -1.449 174.496 176.000 -0.092 0.000 0.964 20 Q CA -2.614 53.098 55.803 -0.151 0.000 0.880 20 Q CB 2.006 30.599 28.738 -0.241 0.000 1.286 20 Q HN 0.109 8.294 8.270 -0.142 0.000 0.445 21 P HA 0.168 4.736 4.420 -0.033 -0.168 0.289 21 P C -0.401 176.896 177.300 -0.004 0.000 1.299 21 P CA -0.992 62.100 63.100 -0.012 0.000 0.766 21 P CB 1.163 32.904 31.700 0.069 0.000 1.226 22 K N -2.059 118.372 120.400 0.052 0.000 2.090 22 K HA 0.188 4.537 4.320 0.049 0.000 0.250 22 K C 0.800 177.422 176.600 0.036 0.000 1.004 22 K CA -1.470 54.866 56.287 0.082 0.000 0.919 22 K CB 0.575 33.181 32.500 0.177 0.000 1.045 22 K HN 0.293 8.588 8.250 0.074 0.000 0.471 23 S N -2.099 113.536 115.700 -0.108 0.000 2.710 23 S HA -0.015 4.341 4.470 -0.190 0.000 0.224 23 S C -1.055 173.238 174.600 -0.513 0.000 0.948 23 S CA 0.659 58.669 58.200 -0.316 0.000 0.949 23 S CB 0.018 62.994 63.200 -0.374 0.000 0.778 23 S HN 0.375 8.648 8.310 -0.061 0.000 0.498 24 H N -0.575 118.539 119.070 0.073 0.000 2.500 24 H HA 0.369 5.119 4.556 0.072 -0.150 0.243 24 H C -0.985 174.412 175.328 0.114 0.000 1.318 24 H CA -1.893 54.200 56.048 0.076 0.000 1.077 24 H CB -0.830 28.957 29.762 0.042 0.000 1.748 24 H HN -0.373 7.862 8.280 0.097 0.103 0.556 25 H N 1.191 120.281 119.070 0.033 0.000 2.913 25 H HA -0.190 4.386 4.556 0.033 0.000 0.365 25 H C -0.330 175.043 175.328 0.074 0.000 1.155 25 H CA 2.519 58.587 56.048 0.032 0.000 1.417 25 H CB 0.867 30.617 29.762 -0.020 0.000 1.386 25 H HN -0.119 8.286 8.280 0.207 0.000 0.614 26 R N 3.004 123.525 120.500 0.035 0.000 2.287 26 R HA 0.188 4.603 4.340 0.125 0.000 0.316 26 R C -2.282 174.093 176.300 0.124 0.000 1.050 26 R CA -1.626 54.523 56.100 0.082 0.000 0.983 26 R CB 0.129 30.447 30.300 0.029 0.000 1.140 26 R HN 0.422 8.593 8.270 -0.165 0.000 0.528 27 A N 6.781 129.718 122.820 0.195 0.000 2.269 27 A HA 0.528 5.154 4.320 0.198 -0.188 0.302 27 A C -0.174 177.505 177.584 0.158 0.000 1.266 27 A CA -1.181 50.981 52.037 0.209 0.000 0.894 27 A CB 1.395 20.599 19.000 0.340 0.000 1.147 27 A HN -0.091 8.187 8.150 0.213 0.000 0.537 28 R N 3.897 124.483 120.500 0.143 0.000 2.879 28 R HA 0.181 4.705 4.340 0.307 0.000 0.219 28 R C -1.029 175.396 176.300 0.210 0.000 1.167 28 R CA -0.744 55.489 56.100 0.221 0.000 1.062 28 R CB 1.645 32.037 30.300 0.153 0.000 1.093 28 R HN -0.546 7.799 8.270 0.125 0.000 0.510 29 Y N -4.530 115.775 120.300 0.009 0.000 2.598 29 Y HA 0.246 4.780 4.550 -0.027 0.000 0.340 29 Y C 0.326 176.215 175.900 -0.018 0.000 1.038 29 Y CA -1.307 56.784 58.100 -0.015 0.000 1.100 29 Y CB 2.752 41.200 38.460 -0.019 0.000 1.281 29 Y HN -0.127 8.364 8.280 0.351 0.000 0.488 30 E N 0.195 120.436 120.200 0.068 0.000 2.204 30 E HA -0.259 4.102 4.350 0.018 0.000 0.194 30 E C 1.819 178.453 176.600 0.056 0.000 0.989 30 E CA 3.326 59.743 56.400 0.028 0.000 0.824 30 E CB -0.145 29.540 29.700 -0.025 0.000 0.756 30 E HN 0.601 8.967 8.360 0.010 0.000 0.477 31 T N -1.511 113.101 114.554 0.096 0.000 2.985 31 T HA -0.159 4.210 4.350 0.033 0.000 0.266 31 T C 0.401 175.132 174.700 0.051 0.000 1.076 31 T CA 1.885 64.020 62.100 0.058 0.000 1.135 31 T CB -0.510 68.387 68.868 0.048 0.000 0.890 31 T HN 0.057 8.368 8.240 0.161 0.026 0.480 32 E N 0.252 120.502 120.200 0.084 0.000 2.651 32 E HA 0.161 4.531 4.350 0.032 0.000 0.208 32 E C -0.145 176.497 176.600 0.069 0.000 0.997 32 E CA -1.521 54.914 56.400 0.057 0.000 1.020 32 E CB -0.725 28.999 29.700 0.041 0.000 1.052 32 E HN -0.722 7.617 8.360 0.148 0.110 0.465 33 G N 0.076 108.918 108.800 0.069 0.000 2.151 33 G HA2 -0.264 3.753 3.960 0.071 0.000 0.269 33 G HA3 -0.264 3.726 3.960 0.049 0.000 0.269 33 G C -0.535 174.393 174.900 0.047 0.000 1.069 33 G CA 1.423 46.559 45.100 0.059 0.000 1.080 33 G HN -0.637 7.625 8.290 0.067 0.068 0.405 34 S N 2.218 117.947 115.700 0.048 0.000 3.897 34 S HA 0.071 4.560 4.470 0.033 0.000 0.214 34 S C 0.147 174.768 174.600 0.036 0.000 1.102 34 S CA 0.315 58.537 58.200 0.036 0.000 1.116 34 S CB 1.372 64.589 63.200 0.030 0.000 1.288 34 S HN -0.175 8.170 8.310 0.058 0.000 0.458 35 R N 1.201 121.725 120.500 0.041 0.000 3.139 35 R HA 0.303 4.660 4.340 0.028 0.000 0.218 35 R C -0.702 175.624 176.300 0.044 0.000 1.637 35 R CA -0.666 55.455 56.100 0.035 0.000 0.971 35 R CB 1.326 31.643 30.300 0.029 0.000 2.211 35 R HN -0.117 8.182 8.270 0.048 0.000 0.535 36 G N -1.273 107.547 108.800 0.034 0.000 3.276 36 G HA2 -0.242 3.765 3.960 0.011 0.000 0.679 36 G HA3 -0.242 3.805 3.960 0.067 -0.047 0.679 36 G C -1.708 173.210 174.900 0.031 0.000 0.911 36 G CA -0.126 44.995 45.100 0.036 0.000 0.797 36 G HN -0.020 8.283 8.290 0.022 0.000 0.503 37 A N 1.846 124.656 122.820 -0.015 0.000 4.989 37 A HA 0.053 4.399 4.320 0.070 0.016 0.238 37 A C -2.416 175.130 177.584 -0.064 0.000 0.962 37 A CA -0.186 51.859 52.037 0.012 0.000 0.608 37 A CB 1.838 20.851 19.000 0.022 0.000 1.893 37 A HN -0.389 7.712 8.150 -0.080 0.000 0.923 38 V N 2.449 122.392 119.914 0.047 0.000 2.372 38 V HA 0.140 4.436 4.120 0.293 0.000 0.261 38 V C -0.762 175.351 176.094 0.032 0.000 1.055 38 V CA -0.978 61.407 62.300 0.141 0.000 0.930 38 V CB -0.150 31.823 31.823 0.249 0.000 1.031 38 V HN -0.012 8.221 8.190 0.071 0.000 0.479 39 K N 6.161 126.421 120.400 -0.235 0.000 2.580 39 K HA 0.269 4.356 4.320 -0.389 0.000 0.288 39 K C -2.875 173.584 176.600 -0.235 0.000 1.041 39 K CA -2.065 54.065 56.287 -0.261 0.000 0.855 39 K CB 2.002 34.391 32.500 -0.185 0.000 1.543 39 K HN -0.559 7.335 8.250 -0.595 0.000 0.388 40 A N -1.515 121.181 122.820 -0.206 0.000 2.569 40 A HA 0.402 4.702 4.320 -0.032 0.000 0.290 40 A C 0.099 177.639 177.584 -0.073 0.000 1.136 40 A CA -1.337 50.643 52.037 -0.096 0.000 0.710 40 A CB 2.314 21.256 19.000 -0.098 0.000 1.303 40 A HN -0.067 7.937 8.150 -0.243 0.000 0.413 41 S N -0.787 114.897 115.700 -0.026 0.000 2.400 41 S HA -0.385 4.062 4.470 -0.037 0.000 0.234 41 S C 0.827 175.399 174.600 -0.047 0.000 1.049 41 S CA 2.777 60.955 58.200 -0.036 0.000 1.039 41 S CB -0.337 62.842 63.200 -0.036 0.000 0.856 41 S HN 0.336 8.654 8.310 0.014 0.000 0.465 42 A N 1.149 123.937 122.820 -0.052 0.000 2.007 42 A HA 0.134 4.430 4.320 -0.041 0.000 0.200 42 A C -0.248 177.295 177.584 -0.068 0.000 2.019 42 A CA 0.414 52.422 52.037 -0.049 0.000 1.002 42 A CB 0.537 19.516 19.000 -0.036 0.000 1.213 42 A HN -0.411 7.693 8.150 -0.053 0.014 0.635 43 G N -2.784 105.966 108.800 -0.082 0.000 2.505 43 G HA2 0.008 3.848 3.960 -0.200 0.000 0.292 43 G HA3 0.008 3.932 3.960 -0.061 0.000 0.292 43 G C -1.251 173.578 174.900 -0.119 0.000 1.332 43 G CA 0.743 45.773 45.100 -0.117 0.000 1.286 43 G HN -0.521 7.728 8.290 -0.069 0.000 0.606 44 G N 1.557 110.227 108.800 -0.216 0.000 4.695 44 G HA2 -0.098 3.835 3.960 -0.046 0.000 0.229 44 G HA3 -0.098 3.809 3.960 -0.088 0.000 0.229 44 G C -2.168 172.656 174.900 -0.127 0.000 2.630 44 G CA -0.088 44.943 45.100 -0.115 0.000 0.626 44 G HN 0.018 8.054 8.290 -0.422 0.000 0.234 45 H N 0.612 119.685 119.070 0.004 0.000 3.016 45 H HA -0.079 4.502 4.556 0.041 0.000 0.345 45 H C -1.580 173.749 175.328 0.002 0.000 1.066 45 H CA -0.583 55.475 56.048 0.018 0.000 1.390 45 H CB 0.141 29.911 29.762 0.013 0.000 1.344 45 H HN -0.142 8.048 8.280 -0.150 0.000 0.605 46 P HA 0.238 4.890 4.420 -0.017 -0.242 0.275 46 P C -1.526 175.791 177.300 0.029 0.000 1.227 46 P CA -0.387 62.735 63.100 0.038 0.000 0.781 46 P CB 1.098 32.826 31.700 0.046 0.000 0.906 47 I N 0.471 121.019 120.570 -0.036 0.000 2.730 47 I HA 0.242 4.412 4.170 0.000 0.000 0.298 47 I C -1.025 175.036 176.117 -0.094 0.000 1.089 47 I CA -2.629 58.650 61.300 -0.034 0.000 1.041 47 I CB 3.720 41.704 38.000 -0.026 0.000 1.235 47 I HN 0.116 8.277 8.210 -0.081 0.000 0.423 48 V N 5.533 125.410 119.914 -0.060 0.000 2.447 48 V HA 0.154 4.171 4.120 -0.172 0.000 0.292 48 V C -1.941 174.140 176.094 -0.021 0.000 1.021 48 V CA -0.896 61.347 62.300 -0.094 0.000 0.850 48 V CB 1.847 33.630 31.823 -0.067 0.000 1.005 48 V HN 0.585 8.662 8.190 -0.015 0.105 0.426 49 Q N 4.757 124.548 119.800 -0.015 0.000 2.323 49 Q HA 0.485 4.972 4.340 0.035 -0.126 0.271 49 Q C -1.973 174.063 176.000 0.060 0.000 1.048 49 Q CA -1.937 53.884 55.803 0.030 0.000 0.792 49 Q CB 4.511 33.269 28.738 0.034 0.000 1.280 49 Q HN -0.315 7.932 8.270 -0.039 0.000 0.441 50 L N 4.279 125.547 121.223 0.074 0.000 2.275 50 L HA 0.183 4.589 4.340 0.109 0.000 0.288 50 L C -1.492 175.462 176.870 0.140 0.000 1.046 50 L CA -0.868 54.030 54.840 0.097 0.000 0.805 50 L CB 1.735 43.831 42.059 0.062 0.000 1.193 50 L HN 0.246 8.514 8.230 0.063 0.000 0.426 51 H N 6.027 125.143 119.070 0.075 0.000 2.645 51 H HA 0.257 4.852 4.556 0.065 0.000 0.257 51 H C -1.585 173.820 175.328 0.128 0.000 1.269 51 H CA -0.654 55.444 56.048 0.082 0.000 1.409 51 H CB 0.485 30.293 29.762 0.076 0.000 1.434 51 H HN 0.640 9.063 8.280 0.239 0.000 0.505 52 G N 5.134 113.831 108.800 -0.172 0.000 4.339 52 G HA2 -0.214 3.774 3.960 0.047 0.000 0.163 52 G HA3 -0.214 3.949 3.960 0.245 -0.056 0.163 52 G C -2.126 172.597 174.900 -0.296 0.000 1.118 52 G CA 0.902 46.008 45.100 0.010 0.000 1.022 52 G HN -0.220 7.980 8.290 -0.149 0.000 0.337 53 Y N 3.800 123.728 120.300 -0.622 0.000 2.781 53 Y HA -0.185 3.652 4.550 -1.189 0.000 0.365 53 Y C -0.799 174.886 175.900 -0.358 0.000 1.291 53 Y CA 1.365 59.039 58.100 -0.710 0.000 1.772 53 Y CB -0.662 37.524 38.460 -0.456 0.000 1.361 53 Y HN -0.132 8.053 8.280 -0.159 0.000 0.484 54 L N 4.980 125.909 121.223 -0.490 0.000 3.084 54 L HA 0.173 4.398 4.340 -0.191 0.000 0.238 54 L C -0.742 175.929 176.870 -0.331 0.000 1.327 54 L CA -0.689 53.982 54.840 -0.282 0.000 1.094 54 L CB -0.331 41.625 42.059 -0.172 0.000 1.477 54 L HN -0.136 7.740 8.230 -0.590 0.000 0.514 55 E N 0.646 120.530 120.200 -0.526 0.000 2.259 55 E HA 0.092 4.271 4.350 -0.286 0.000 0.257 55 E C -0.414 176.080 176.600 -0.177 0.000 0.998 55 E CA -1.338 54.818 56.400 -0.407 0.000 0.866 55 E CB 2.272 31.563 29.700 -0.682 0.000 1.220 55 E HN -0.460 7.383 8.360 -0.737 0.074 0.415 56 N N -0.541 118.101 118.700 -0.097 0.000 2.449 56 N HA -0.035 4.691 4.740 -0.022 0.000 0.191 56 N C -0.197 175.327 175.510 0.023 0.000 1.161 56 N CA 0.480 53.514 53.050 -0.027 0.000 0.863 56 N CB 0.372 38.845 38.487 -0.023 0.000 0.980 56 N HN 0.022 8.338 8.380 -0.108 0.000 0.458 57 E N -0.276 119.967 120.200 0.071 0.000 2.266 57 E HA 0.252 4.653 4.350 0.085 0.000 0.277 57 E C -1.678 175.034 176.600 0.187 0.000 1.018 57 E CA -3.062 53.427 56.400 0.148 0.000 0.840 57 E CB 0.748 30.586 29.700 0.230 0.000 1.082 57 E HN -0.334 7.948 8.360 0.027 0.094 0.395 58 P HA 0.072 4.525 4.420 0.053 0.000 0.275 58 P C -1.681 175.601 177.300 -0.031 0.000 1.266 58 P CA -0.479 62.645 63.100 0.040 0.000 0.793 58 P CB 0.910 32.620 31.700 0.017 0.000 1.074 59 L N -2.635 118.551 121.223 -0.062 0.000 2.469 59 L HA 0.457 4.683 4.340 -0.190 0.000 0.256 59 L C -1.840 174.988 176.870 -0.070 0.000 1.006 59 L CA -0.694 54.060 54.840 -0.142 0.000 0.832 59 L CB 4.373 46.296 42.059 -0.225 0.000 1.421 59 L HN -0.231 7.983 8.230 -0.027 0.000 0.410 60 M N 2.214 121.778 119.600 -0.060 0.000 2.197 60 M HA 0.317 4.785 4.480 -0.020 0.000 0.301 60 M C -2.947 173.353 176.300 0.001 0.000 0.987 60 M CA -1.600 53.687 55.300 -0.022 0.000 0.921 60 M CB 2.004 34.593 32.600 -0.018 0.000 1.569 60 M HN 0.371 8.612 8.290 -0.082 0.000 0.431 61 L N 4.635 125.869 121.223 0.019 0.000 2.325 61 L HA 0.379 4.752 4.340 0.055 0.000 0.279 61 L C -2.295 174.607 176.870 0.053 0.000 1.054 61 L CA -1.037 53.835 54.840 0.054 0.000 0.804 61 L CB 2.802 44.913 42.059 0.087 0.000 1.200 61 L HN 0.313 8.553 8.230 0.017 0.000 0.436 62 Q N 2.690 122.525 119.800 0.058 0.000 2.377 62 Q HA 0.556 5.060 4.340 0.017 -0.153 0.271 62 Q C -1.770 174.232 176.000 0.002 0.000 1.077 62 Q CA -1.848 53.973 55.803 0.029 0.000 0.820 62 Q CB 3.514 32.268 28.738 0.027 0.000 1.347 62 Q HN 0.352 8.667 8.270 0.075 0.000 0.444 63 L N 1.080 122.258 121.223 -0.074 0.000 2.322 63 L HA 0.308 4.442 4.340 -0.342 0.000 0.279 63 L C -1.811 174.983 176.870 -0.126 0.000 1.036 63 L CA -0.791 53.898 54.840 -0.250 0.000 0.807 63 L CB 3.178 44.998 42.059 -0.398 0.000 1.226 63 L HN 0.340 8.418 8.230 -0.054 0.119 0.433 64 F N 7.818 127.592 119.950 -0.294 0.000 2.553 64 F HA 0.285 4.710 4.527 -0.171 0.000 0.335 64 F C -2.718 172.935 175.800 -0.246 0.000 1.148 64 F CA -1.154 56.725 58.000 -0.202 0.000 0.963 64 F CB 3.059 41.984 39.000 -0.124 0.000 1.217 64 F HN 0.665 8.860 8.300 -0.176 0.000 0.441 65 I N 7.300 127.409 120.570 -0.767 0.000 2.385 65 I HA 0.283 4.202 4.170 -0.418 0.000 0.294 65 I C -1.218 174.469 176.117 -0.716 0.000 0.988 65 I CA -1.911 58.992 61.300 -0.662 0.000 1.265 65 I CB 2.063 39.570 38.000 -0.822 0.000 1.388 65 I HN -0.250 7.455 8.210 -0.841 0.000 0.480 66 G N 6.625 115.239 108.800 -0.310 0.000 2.733 66 G HA2 0.333 4.211 3.960 -0.137 0.000 0.289 66 G HA3 0.333 4.368 3.960 0.125 0.000 0.289 66 G C -1.630 173.266 174.900 -0.007 0.000 1.473 66 G CA -0.544 44.507 45.100 -0.082 0.000 1.123 66 G HN 0.692 8.846 8.290 -0.227 0.000 0.544 67 T N 3.785 118.368 114.554 0.048 0.000 2.848 67 T HA -0.364 4.043 4.350 0.096 0.000 0.340 67 T C 0.231 174.958 174.700 0.046 0.000 1.091 67 T CA 1.760 63.904 62.100 0.074 0.000 1.123 67 T CB 0.973 69.888 68.868 0.078 0.000 1.042 67 T HN 0.300 8.579 8.240 0.065 0.000 0.544 68 A N 6.311 129.155 122.820 0.040 0.000 2.990 68 A HA -0.036 4.300 4.320 0.027 0.000 0.282 68 A C -1.258 176.347 177.584 0.034 0.000 1.688 68 A CA -0.378 51.677 52.037 0.029 0.000 1.391 68 A CB -0.819 18.192 19.000 0.017 0.000 1.112 68 A HN 0.039 8.118 8.150 0.051 0.102 0.588 69 D N 2.183 122.605 120.400 0.036 0.000 2.496 69 D HA 0.062 4.721 4.640 0.032 0.000 0.283 69 D C 0.217 176.533 176.300 0.028 0.000 1.214 69 D CA -0.343 53.677 54.000 0.033 0.000 1.089 69 D CB 1.375 42.196 40.800 0.034 0.000 1.141 69 D HN -0.595 7.767 8.370 0.041 0.032 0.580 70 D N -0.133 120.281 120.400 0.024 0.000 2.397 70 D HA 0.015 4.667 4.640 0.020 0.000 0.262 70 D C 0.383 176.694 176.300 0.019 0.000 1.323 70 D CA 1.599 55.612 54.000 0.020 0.000 0.999 70 D CB 0.307 41.117 40.800 0.018 0.000 0.971 70 D HN 0.479 8.863 8.370 0.024 0.000 0.338 71 R N 0.035 120.545 120.500 0.016 0.000 2.009 71 R HA -0.034 4.313 4.340 0.011 0.000 0.213 71 R C -0.466 175.842 176.300 0.014 0.000 1.297 71 R CA 0.114 56.221 56.100 0.012 0.000 1.008 71 R CB 0.367 30.672 30.300 0.008 0.000 0.852 71 R HN -0.003 8.276 8.270 0.015 0.000 0.475 72 L N 1.642 122.873 121.223 0.014 0.000 2.455 72 L HA -0.010 4.337 4.340 0.011 0.000 0.272 72 L C -0.042 176.846 176.870 0.030 0.000 1.174 72 L CA -0.675 54.175 54.840 0.017 0.000 0.869 72 L CB 0.537 42.605 42.059 0.014 0.000 1.130 72 L HN -0.197 8.040 8.230 0.012 0.000 0.474 73 L N -2.055 119.195 121.223 0.044 0.000 2.476 73 L HA 0.114 4.492 4.340 0.062 0.000 0.255 73 L C -0.378 176.534 176.870 0.070 0.000 1.218 73 L CA 0.099 54.982 54.840 0.072 0.000 0.819 73 L CB 0.665 42.802 42.059 0.129 0.000 1.119 73 L HN -0.132 8.119 8.230 0.036 0.000 0.485 74 R N -1.129 119.412 120.500 0.067 0.000 2.923 74 R HA 0.477 4.841 4.340 0.041 0.000 0.252 74 R C -2.462 173.861 176.300 0.038 0.000 1.130 74 R CA -3.395 52.731 56.100 0.043 0.000 1.043 74 R CB 0.781 31.095 30.300 0.023 0.000 1.205 74 R HN 0.323 8.636 8.270 0.072 0.000 0.495 75 P HA 0.066 4.479 4.420 -0.010 0.000 0.276 75 P C -1.065 176.192 177.300 -0.071 0.000 1.253 75 P CA -0.362 62.719 63.100 -0.031 0.000 0.766 75 P CB 0.447 32.117 31.700 -0.049 0.000 0.845 76 H N 5.541 124.489 119.070 -0.204 0.000 3.134 76 H HA -0.454 3.996 4.556 -0.177 0.000 0.326 76 H C -1.122 173.975 175.328 -0.385 0.000 1.017 76 H CA 0.505 56.410 56.048 -0.239 0.000 1.359 76 H CB 1.799 31.408 29.762 -0.255 0.000 1.300 76 H HN 0.099 8.366 8.280 -0.022 0.000 0.596 77 A N 1.990 124.335 122.820 -0.791 0.000 2.099 77 A HA -0.095 3.623 4.320 -1.396 -0.235 0.206 77 A C -1.054 175.346 177.584 -1.973 0.000 1.464 77 A CA 1.690 52.941 52.037 -1.310 0.000 0.603 77 A CB 1.234 19.861 19.000 -0.621 0.000 1.056 77 A HN 0.182 8.106 8.150 -0.378 0.000 0.492 78 F N -9.258 110.295 119.950 -0.662 0.000 2.548 78 F HA 0.146 4.436 4.527 -0.396 0.000 0.379 78 F C -1.343 174.243 175.800 -0.355 0.000 1.380 78 F CA -2.048 55.680 58.000 -0.453 0.000 1.095 78 F CB -0.295 38.522 39.000 -0.305 0.000 1.270 78 F HN -0.083 7.796 8.300 -0.701 0.000 0.509 79 Y N 3.177 123.377 120.300 -0.166 0.000 2.758 79 Y HA -0.065 4.537 4.550 0.087 0.000 0.351 79 Y C -0.218 175.786 175.900 0.173 0.000 1.214 79 Y CA 0.823 59.006 58.100 0.138 0.000 1.983 79 Y CB -1.976 36.668 38.460 0.307 0.000 2.062 79 Y HN -0.753 7.139 8.280 -0.646 0.000 0.416 80 Q N 0.987 120.906 119.800 0.198 0.000 2.320 80 Q HA 0.314 4.760 4.340 0.177 0.000 0.268 80 Q C -1.355 174.716 176.000 0.118 0.000 1.023 80 Q CA -0.607 55.290 55.803 0.156 0.000 0.744 80 Q CB 1.345 30.150 28.738 0.113 0.000 1.246 80 Q HN 0.431 8.712 8.270 0.112 0.057 0.462 81 V N 2.320 122.315 119.914 0.135 0.000 3.204 81 V HA 0.126 4.311 4.120 0.108 0.000 0.298 81 V C -0.753 175.448 176.094 0.178 0.000 1.328 81 V CA -1.067 61.311 62.300 0.130 0.000 1.035 81 V CB 3.525 35.417 31.823 0.115 0.000 1.095 81 V HN 0.108 8.387 8.190 0.149 0.000 0.442 82 H N 3.747 122.837 119.070 0.033 0.000 2.683 82 H HA 0.280 4.847 4.556 0.019 0.000 0.276 82 H C -0.276 175.070 175.328 0.029 0.000 1.564 82 H CA 0.161 56.223 56.048 0.022 0.000 1.590 82 H CB 1.687 31.454 29.762 0.008 0.000 1.692 82 H HN 0.309 8.717 8.280 0.214 0.000 0.871 83 R N -2.354 118.017 120.500 -0.215 0.000 3.006 83 R HA 0.123 4.446 4.340 -0.028 0.000 0.261 83 R C -1.488 174.754 176.300 -0.098 0.000 1.113 83 R CA -1.283 54.744 56.100 -0.123 0.000 0.973 83 R CB 1.980 32.193 30.300 -0.145 0.000 1.341 83 R HN -0.035 7.866 8.270 -0.615 0.000 0.437 84 I N -0.554 119.980 120.570 -0.060 0.000 2.767 84 I HA 0.392 4.535 4.170 -0.044 0.000 0.281 84 I C -2.545 173.558 176.117 -0.024 0.000 1.532 84 I CA 0.600 61.881 61.300 -0.032 0.000 1.103 84 I CB 2.272 40.273 38.000 0.003 0.000 1.466 84 I HN 0.224 8.403 8.210 -0.053 0.000 0.421 85 T N 9.498 124.035 114.554 -0.029 0.000 3.880 85 T HA 0.065 4.406 4.350 -0.014 0.000 0.443 85 T C 0.034 174.716 174.700 -0.031 0.000 1.266 85 T CA -0.035 62.051 62.100 -0.024 0.000 1.080 85 T CB 1.711 70.566 68.868 -0.022 0.000 1.355 85 T HN 0.072 8.290 8.240 -0.036 0.000 0.440 86 G N 4.804 113.591 108.800 -0.023 0.000 2.596 86 G HA2 -0.320 3.628 3.960 -0.022 0.000 0.223 86 G HA3 -0.320 3.629 3.960 -0.019 0.000 0.223 86 G C -0.245 174.633 174.900 -0.037 0.000 1.120 86 G CA 1.922 47.008 45.100 -0.024 0.000 0.752 86 G HN 0.183 8.463 8.290 -0.016 0.000 0.596 87 K N -1.232 119.140 120.400 -0.046 0.000 2.574 87 K HA -0.119 4.161 4.320 -0.067 0.000 0.193 87 K C 0.474 177.016 176.600 -0.095 0.000 1.035 87 K CA 0.250 56.493 56.287 -0.073 0.000 0.982 87 K CB -0.184 32.266 32.500 -0.084 0.000 0.795 87 K HN -0.409 7.790 8.250 -0.038 0.028 0.491 88 T N 3.795 118.305 114.554 -0.074 0.000 4.313 88 T HA 0.060 4.589 4.350 -0.095 -0.235 0.272 88 T C -0.575 174.087 174.700 -0.064 0.000 1.298 88 T CA -1.713 60.339 62.100 -0.079 0.000 1.124 88 T CB -1.408 67.412 68.868 -0.080 0.000 1.352 88 T HN 0.394 8.381 8.240 -0.059 0.218 1.013 89 V N 7.982 127.856 119.914 -0.067 0.000 2.357 89 V HA -0.251 3.849 4.120 -0.034 0.000 0.239 89 V C 0.114 176.191 176.094 -0.029 0.000 1.168 89 V CA 0.067 62.341 62.300 -0.043 0.000 1.262 89 V CB -2.039 29.756 31.823 -0.047 0.000 1.314 89 V HN -0.008 8.148 8.190 -0.090 -0.020 0.486 90 S N 6.404 122.090 115.700 -0.022 0.000 3.456 90 S HA 0.043 4.508 4.470 -0.007 0.000 0.229 90 S C 0.420 175.027 174.600 0.013 0.000 1.416 90 S CA -0.206 57.989 58.200 -0.008 0.000 1.197 90 S CB -1.183 62.008 63.200 -0.016 0.000 1.201 90 S HN 0.114 8.392 8.310 -0.026 0.016 0.479 91 T N 4.185 118.747 114.554 0.014 0.000 2.821 91 T HA -0.142 4.222 4.350 0.023 0.000 0.267 91 T C 0.387 175.112 174.700 0.041 0.000 1.046 91 T CA 3.000 65.114 62.100 0.024 0.000 1.139 91 T CB 0.433 69.311 68.868 0.017 0.000 0.871 91 T HN -0.217 7.940 8.240 0.005 0.086 0.454 92 T N 1.212 115.795 114.554 0.048 0.000 3.176 92 T HA 0.250 4.651 4.350 0.084 0.000 0.337 92 T C -1.902 172.849 174.700 0.085 0.000 0.957 92 T CA -0.030 62.112 62.100 0.071 0.000 1.092 92 T CB 0.573 69.478 68.868 0.061 0.000 1.018 92 T HN -0.013 8.240 8.240 0.039 0.011 0.473 93 S N 4.166 119.932 115.700 0.111 0.000 2.535 93 S HA 0.143 4.679 4.470 0.111 0.000 0.272 93 S C -1.930 172.762 174.600 0.153 0.000 1.149 93 S CA -0.255 58.008 58.200 0.105 0.000 0.888 93 S CB 2.570 65.797 63.200 0.045 0.000 1.110 93 S HN -0.085 8.305 8.310 0.134 0.000 0.463 94 H N 0.755 119.847 119.070 0.037 0.000 3.042 94 H HA 0.284 4.870 4.556 0.051 0.000 0.346 94 H C -2.001 173.345 175.328 0.030 0.000 1.294 94 H CA 0.051 56.121 56.048 0.037 0.000 1.141 94 H CB 2.835 32.613 29.762 0.025 0.000 1.872 94 H HN 0.223 8.595 8.280 0.153 0.000 0.541 95 E N 0.278 120.539 120.200 0.102 0.000 2.336 95 E HA 0.405 4.890 4.350 0.062 -0.098 0.267 95 E C -2.444 174.211 176.600 0.092 0.000 0.906 95 E CA -1.668 54.778 56.400 0.076 0.000 0.781 95 E CB 3.416 33.145 29.700 0.049 0.000 1.261 95 E HN 0.001 8.369 8.360 0.014 0.000 0.436 96 A N 1.662 124.510 122.820 0.048 0.000 2.604 96 A HA 0.363 4.711 4.320 0.047 0.000 0.285 96 A C -1.706 175.885 177.584 0.011 0.000 1.095 96 A CA 0.176 52.234 52.037 0.036 0.000 0.842 96 A CB 1.995 21.014 19.000 0.032 0.000 1.385 96 A HN 0.689 8.855 8.150 0.027 0.000 0.404 97 I N 3.771 124.350 120.570 0.014 0.000 2.588 97 I HA -0.061 4.114 4.170 0.010 0.000 0.283 97 I C -0.391 175.726 176.117 -0.000 0.000 1.119 97 I CA 1.157 62.462 61.300 0.009 0.000 1.419 97 I CB 0.410 38.418 38.000 0.014 0.000 1.394 97 I HN 0.122 8.344 8.210 0.019 0.000 0.562 98 L N 7.188 128.405 121.223 -0.011 0.000 2.283 98 L HA 0.499 4.836 4.340 -0.005 0.000 0.259 98 L C -0.229 176.631 176.870 -0.016 0.000 1.027 98 L CA -1.701 53.130 54.840 -0.014 0.000 0.828 98 L CB 3.711 45.755 42.059 -0.025 0.000 1.380 98 L HN 0.742 8.964 8.230 -0.013 0.000 0.425 99 S N 2.765 118.458 115.700 -0.011 0.000 2.808 99 S HA -0.210 4.256 4.470 -0.007 0.000 0.342 99 S C -0.087 174.495 174.600 -0.030 0.000 1.154 99 S CA 2.249 60.442 58.200 -0.012 0.000 1.476 99 S CB -1.495 61.703 63.200 -0.003 0.000 1.290 99 S HN 0.360 8.667 8.310 -0.005 0.000 0.582 100 N N -0.967 117.703 118.700 -0.050 0.000 2.776 100 N HA -0.370 4.271 4.740 -0.164 0.000 0.249 100 N C -1.756 173.683 175.510 -0.117 0.000 1.111 100 N CA 1.495 54.475 53.050 -0.115 0.000 0.711 100 N CB -1.519 36.907 38.487 -0.102 0.000 1.065 100 N HN 0.100 8.460 8.380 -0.033 0.000 0.556 101 T N -1.793 112.715 114.554 -0.077 0.000 2.982 101 T HA 0.192 4.521 4.350 -0.036 0.000 0.321 101 T C -2.235 172.435 174.700 -0.051 0.000 1.229 101 T CA -0.042 62.010 62.100 -0.081 0.000 1.044 101 T CB 3.832 72.616 68.868 -0.141 0.000 1.184 101 T HN -0.353 7.740 8.240 -0.059 0.112 0.477 102 K N 6.253 126.625 120.400 -0.046 0.000 2.292 102 K HA 0.477 4.786 4.320 -0.018 0.000 0.257 102 K C -2.029 174.440 176.600 -0.218 0.000 0.940 102 K CA -1.824 54.433 56.287 -0.050 0.000 0.811 102 K CB 2.287 34.853 32.500 0.109 0.000 1.120 102 K HN 0.249 8.433 8.250 -0.111 0.000 0.428 103 V N 1.567 121.398 119.914 -0.138 0.000 3.040 103 V HA 0.471 4.536 4.120 -0.222 -0.078 0.312 103 V C -2.693 173.357 176.094 -0.074 0.000 1.115 103 V CA -3.656 58.558 62.300 -0.143 0.000 0.998 103 V CB 3.165 34.935 31.823 -0.087 0.000 1.042 103 V HN 0.544 8.689 8.190 -0.074 0.000 0.433 104 L N 0.669 121.847 121.223 -0.076 0.000 2.415 104 L HA 0.378 4.820 4.340 0.031 -0.083 0.268 104 L C -0.656 176.223 176.870 0.015 0.000 0.984 104 L CA -0.427 54.406 54.840 -0.013 0.000 0.853 104 L CB 2.242 44.278 42.059 -0.038 0.000 1.215 104 L HN -0.323 7.730 8.230 -0.113 0.109 0.419 105 E N 4.697 124.926 120.200 0.047 0.000 1.865 105 E HA 0.008 4.456 4.350 0.005 -0.096 0.269 105 E C -0.956 175.657 176.600 0.022 0.000 1.177 105 E CA 0.230 56.636 56.400 0.010 0.000 0.932 105 E CB -0.808 28.869 29.700 -0.039 0.000 1.066 105 E HN 0.288 8.695 8.360 0.078 0.000 0.405 106 I N -0.768 119.830 120.570 0.045 0.000 2.330 106 I HA 0.585 4.806 4.170 0.085 0.000 0.286 106 I C -2.429 173.707 176.117 0.033 0.000 1.025 106 I CA -3.910 57.431 61.300 0.067 0.000 1.197 106 I CB 0.521 38.581 38.000 0.101 0.000 1.358 106 I HN 0.265 8.501 8.210 0.044 0.000 0.467 107 P HA 0.071 4.484 4.420 -0.012 0.000 0.276 107 P C -1.428 175.880 177.300 0.014 0.000 1.244 107 P CA -0.957 62.138 63.100 -0.007 0.000 0.801 107 P CB 0.942 32.622 31.700 -0.034 0.000 1.006 108 L N 0.294 121.521 121.223 0.007 0.000 2.322 108 L HA 0.281 4.637 4.340 0.026 0.000 0.281 108 L C 0.237 177.116 176.870 0.014 0.000 1.014 108 L CA -0.850 53.999 54.840 0.016 0.000 0.815 108 L CB 1.521 43.587 42.059 0.012 0.000 1.247 108 L HN 0.512 8.637 8.230 -0.007 0.101 0.421 109 L N 4.133 125.369 121.223 0.021 0.000 2.475 109 L HA 0.056 4.406 4.340 0.017 0.000 0.250 109 L C -0.753 176.132 176.870 0.024 0.000 1.224 109 L CA -0.505 54.348 54.840 0.020 0.000 0.821 109 L CB -0.853 41.218 42.059 0.022 0.000 1.141 109 L HN 0.350 8.595 8.230 0.025 0.000 0.494 110 P HA -0.033 4.409 4.420 0.037 0.000 0.209 110 P C -0.042 177.272 177.300 0.023 0.000 1.203 110 P CA 1.371 64.487 63.100 0.027 0.000 0.916 110 P CB 0.378 32.090 31.700 0.021 0.000 0.763 111 E N -0.195 120.015 120.200 0.018 0.000 2.989 111 E HA 0.176 4.535 4.350 0.015 0.000 0.224 111 E C -1.184 175.426 176.600 0.017 0.000 1.175 111 E CA -0.279 56.130 56.400 0.015 0.000 1.300 111 E CB -1.595 28.111 29.700 0.010 0.000 1.422 111 E HN 0.285 8.655 8.360 0.016 0.000 0.439 112 N N 0.614 119.327 118.700 0.021 0.000 2.389 112 N HA 0.126 4.877 4.740 0.019 0.000 0.260 112 N C -0.566 174.958 175.510 0.024 0.000 1.191 112 N CA -0.034 53.029 53.050 0.021 0.000 0.885 112 N CB 0.604 39.104 38.487 0.022 0.000 1.162 112 N HN -0.248 8.092 8.380 0.023 0.054 0.512 113 S N -0.765 114.951 115.700 0.026 0.000 3.445 113 S HA -0.333 4.157 4.470 0.035 0.000 0.319 113 S C -0.949 173.674 174.600 0.040 0.000 1.209 113 S CA 0.883 59.103 58.200 0.033 0.000 0.934 113 S CB -0.529 62.689 63.200 0.030 0.000 0.999 113 S HN 0.080 8.321 8.310 0.023 0.083 0.582 114 M N -5.724 113.898 119.600 0.037 0.000 2.212 114 M HA -0.502 4.000 4.480 0.037 0.000 0.193 114 M C -1.889 174.435 176.300 0.041 0.000 0.493 114 M CA 0.979 56.304 55.300 0.041 0.000 0.427 114 M CB -2.716 29.914 32.600 0.050 0.000 1.120 114 M HN -0.085 8.177 8.290 0.033 0.047 0.929 115 R N -0.146 120.375 120.500 0.035 0.000 2.474 115 R HA 0.137 4.495 4.340 0.031 0.000 0.295 115 R C -2.098 174.222 176.300 0.033 0.000 0.980 115 R CA -0.475 55.644 56.100 0.031 0.000 0.934 115 R CB 3.023 33.338 30.300 0.025 0.000 1.101 115 R HN -0.776 7.513 8.270 0.032 0.000 0.469 116 A N 4.616 127.455 122.820 0.032 0.000 3.124 116 A HA 0.192 4.538 4.320 0.043 0.000 0.295 116 A C -2.402 175.204 177.584 0.037 0.000 1.199 116 A CA -0.404 51.659 52.037 0.043 0.000 0.845 116 A CB 1.004 20.041 19.000 0.061 0.000 1.381 116 A HN 0.393 8.559 8.150 0.026 0.000 0.537 117 V N 2.292 122.222 119.914 0.027 0.000 2.732 117 V HA -0.133 3.999 4.120 0.020 0.000 0.297 117 V C -1.074 175.039 176.094 0.032 0.000 1.060 117 V CA 0.493 62.805 62.300 0.021 0.000 1.038 117 V CB 1.316 33.141 31.823 0.003 0.000 1.003 117 V HN -0.043 8.161 8.190 0.023 0.000 0.481 118 I N 7.280 127.879 120.570 0.048 0.000 2.359 118 I HA 0.033 4.237 4.170 0.057 0.000 0.284 118 I C -1.498 174.654 176.117 0.059 0.000 1.018 118 I CA -0.607 60.733 61.300 0.067 0.000 1.173 118 I CB -0.051 38.015 38.000 0.110 0.000 1.326 118 I HN 0.518 8.758 8.210 0.050 0.000 0.462 119 D N 1.954 122.355 120.400 0.001 0.000 2.783 119 D HA 0.100 4.759 4.640 0.030 0.000 0.306 119 D C -0.450 175.815 176.300 -0.058 0.000 1.633 119 D CA 0.400 54.359 54.000 -0.068 0.000 0.796 119 D CB 0.588 41.215 40.800 -0.290 0.000 1.230 119 D HN 0.482 8.850 8.370 -0.003 0.000 0.441 120 C N -2.530 116.754 119.300 -0.027 0.000 3.365 120 C HA 0.362 4.773 4.460 -0.082 0.000 0.266 120 C C -1.617 173.331 174.990 -0.070 0.000 1.631 120 C CA -2.139 56.838 59.018 -0.068 0.000 1.789 120 C CB 0.652 28.342 27.740 -0.083 0.000 3.088 120 C HN -0.295 7.937 8.230 0.004 0.000 0.547 121 A N 0.837 123.658 122.820 0.001 0.000 2.343 121 A HA 0.252 4.564 4.320 -0.014 0.000 0.308 121 A C -0.822 176.809 177.584 0.078 0.000 1.092 121 A CA -0.843 51.210 52.037 0.026 0.000 0.751 121 A CB 2.092 21.123 19.000 0.051 0.000 1.203 121 A HN -0.725 7.446 8.150 0.036 0.000 0.452 122 G N 0.868 109.714 108.800 0.077 0.000 2.583 122 G HA2 0.222 4.219 3.960 0.109 0.000 0.280 122 G HA3 0.222 4.234 3.960 0.086 0.000 0.280 122 G C -1.684 173.321 174.900 0.174 0.000 1.376 122 G CA -1.483 43.683 45.100 0.110 0.000 1.043 122 G HN 0.057 8.380 8.290 0.056 0.000 0.538 123 I N -0.838 119.851 120.570 0.198 0.000 2.607 123 I HA 0.226 4.590 4.170 0.324 0.000 0.290 123 I C -2.033 174.244 176.117 0.266 0.000 1.129 123 I CA -1.034 60.443 61.300 0.296 0.000 1.042 123 I CB 3.411 41.633 38.000 0.370 0.000 1.242 123 I HN -0.321 7.979 8.210 0.151 0.000 0.421 124 L N 7.636 129.031 121.223 0.287 0.000 2.334 124 L HA 0.339 4.712 4.340 0.054 0.000 0.276 124 L C -1.973 174.817 176.870 -0.135 0.000 1.014 124 L CA -0.883 53.993 54.840 0.060 0.000 0.815 124 L CB 2.777 44.833 42.059 -0.005 0.000 1.268 124 L HN 0.206 8.699 8.230 0.438 0.000 0.428 125 K N 3.267 123.508 120.400 -0.265 0.000 2.205 125 K HA 0.081 4.182 4.320 -0.364 0.000 0.279 125 K C -1.337 174.881 176.600 -0.637 0.000 1.027 125 K CA -1.192 54.820 56.287 -0.458 0.000 0.932 125 K CB 1.591 33.785 32.500 -0.510 0.000 1.032 125 K HN 0.505 8.500 8.250 -0.235 0.114 0.466 126 L N 3.076 123.969 121.223 -0.549 0.000 2.312 126 L HA 0.076 4.182 4.340 -0.390 0.000 0.287 126 L C -0.363 176.333 176.870 -0.289 0.000 1.091 126 L CA -1.820 52.805 54.840 -0.359 0.000 0.846 126 L CB -1.583 40.418 42.059 -0.096 0.000 1.219 126 L HN 0.271 8.172 8.230 -0.549 0.000 0.439 127 R N 5.877 126.175 120.500 -0.336 0.000 2.770 127 R HA -0.345 3.986 4.340 -0.015 0.000 0.361 127 R C 0.634 176.896 176.300 -0.064 0.000 0.860 127 R CA 0.760 56.788 56.100 -0.120 0.000 1.071 127 R CB -0.288 29.985 30.300 -0.045 0.000 0.907 127 R HN 0.216 8.235 8.270 -0.418 0.000 0.403 128 N N 6.201 124.901 118.700 0.000 0.000 2.061 128 N HA -0.443 4.516 4.740 0.027 -0.202 0.193 128 N C 1.373 176.891 175.510 0.013 0.000 1.030 128 N CA 3.958 57.021 53.050 0.022 0.000 0.856 128 N CB -0.032 38.482 38.487 0.046 0.000 1.023 128 N HN 0.149 8.546 8.380 0.028 0.000 0.424 129 S N -2.174 113.538 115.700 0.019 0.000 2.374 129 S HA -0.317 4.160 4.470 0.011 0.000 0.227 129 S C 1.819 176.409 174.600 -0.018 0.000 1.037 129 S CA 3.196 61.400 58.200 0.007 0.000 1.024 129 S CB -0.429 62.779 63.200 0.014 0.000 0.861 129 S HN -0.025 8.308 8.310 0.039 0.000 0.456 130 D N 1.142 121.513 120.400 -0.048 0.000 2.178 130 D HA -0.160 4.435 4.640 -0.074 0.000 0.202 130 D C 1.350 177.590 176.300 -0.099 0.000 0.974 130 D CA 2.898 56.840 54.000 -0.097 0.000 0.841 130 D CB -0.277 40.421 40.800 -0.171 0.000 0.953 130 D HN -0.466 7.796 8.370 -0.042 0.083 0.478 131 I N -5.320 115.210 120.570 -0.067 0.000 3.428 131 I HA -0.017 4.170 4.170 0.029 0.000 0.286 131 I C 0.947 177.089 176.117 0.040 0.000 1.287 131 I CA -0.476 60.840 61.300 0.027 0.000 1.396 131 I CB -1.541 36.546 38.000 0.146 0.000 1.062 131 I HN -0.062 7.986 8.210 -0.061 0.125 0.471 132 E N 0.603 120.813 120.200 0.016 0.000 2.086 132 E HA -0.161 4.206 4.350 0.027 0.000 0.190 132 E C 2.022 178.630 176.600 0.013 0.000 0.975 132 E CA 2.853 59.264 56.400 0.019 0.000 0.813 132 E CB 0.583 30.291 29.700 0.014 0.000 0.768 132 E HN -0.493 7.665 8.360 -0.001 0.202 0.457 133 L N -1.501 119.723 121.223 0.001 0.000 2.465 133 L HA -0.159 4.182 4.340 0.002 0.000 0.224 133 L C 1.570 178.442 176.870 0.003 0.000 1.145 133 L CA 1.546 56.385 54.840 -0.002 0.000 0.834 133 L CB -0.066 41.985 42.059 -0.013 0.000 0.944 133 L HN -0.574 7.651 8.230 -0.007 0.000 0.451 134 R N -0.452 120.056 120.500 0.013 0.000 2.103 134 R HA -0.256 4.096 4.340 0.019 0.000 0.242 134 R C -0.445 175.871 176.300 0.028 0.000 1.142 134 R CA 1.118 57.236 56.100 0.030 0.000 0.960 134 R CB 0.203 30.548 30.300 0.075 0.000 0.858 134 R HN -0.016 8.089 8.270 0.013 0.173 0.439 135 K N -4.722 115.693 120.400 0.025 0.000 7.076 135 K HA -0.315 4.016 4.320 0.019 0.000 0.574 135 K C 0.155 176.768 176.600 0.021 0.000 2.583 135 K CA 0.685 56.984 56.287 0.020 0.000 2.032 135 K CB -0.777 31.731 32.500 0.013 0.000 2.232 135 K HN -0.677 7.579 8.250 0.027 0.011 0.189 136 G N 1.222 110.032 108.800 0.017 0.000 4.825 136 G HA2 -0.428 3.540 3.960 0.013 0.000 0.224 136 G HA3 -0.428 3.541 3.960 0.014 0.000 0.224 136 G C -0.326 174.584 174.900 0.016 0.000 1.356 136 G CA 0.285 45.394 45.100 0.015 0.000 0.966 136 G HN 0.459 8.758 8.290 0.016 0.000 0.690 137 E N 1.591 121.803 120.200 0.019 0.000 2.458 137 E HA -0.136 4.218 4.350 0.006 0.000 0.264 137 E C -0.517 176.091 176.600 0.014 0.000 1.097 137 E CA 0.743 57.151 56.400 0.014 0.000 0.973 137 E CB 0.556 30.269 29.700 0.022 0.000 0.963 137 E HN -0.138 8.181 8.360 0.024 0.055 0.451 138 T N 0.707 115.263 114.554 0.003 0.000 3.355 138 T HA 0.113 4.473 4.350 0.016 0.000 0.276 138 T C -0.562 174.136 174.700 -0.004 0.000 1.003 138 T CA -0.948 61.157 62.100 0.008 0.000 0.943 138 T CB 0.006 68.879 68.868 0.009 0.000 1.158 138 T HN 0.123 8.358 8.240 -0.007 0.000 0.513 139 D N 0.809 121.197 120.400 -0.020 0.000 2.356 139 D HA 0.014 4.597 4.640 -0.095 0.000 0.258 139 D C 0.155 176.455 176.300 -0.000 0.000 1.279 139 D CA -0.236 53.721 54.000 -0.071 0.000 1.016 139 D CB 0.647 41.334 40.800 -0.188 0.000 1.107 139 D HN -0.521 7.775 8.370 -0.005 0.070 0.544 140 I N 0.632 121.205 120.570 0.004 0.000 3.115 140 I HA -0.294 3.907 4.170 0.052 0.000 0.298 140 I C 0.049 176.213 176.117 0.079 0.000 1.162 140 I CA 1.142 62.476 61.300 0.058 0.000 1.648 140 I CB -0.404 37.636 38.000 0.067 0.000 1.551 140 I HN 0.251 8.416 8.210 -0.075 0.000 0.764 141 G N 5.686 114.521 108.800 0.058 0.000 2.622 141 G HA2 -0.069 3.928 3.960 0.061 0.000 0.206 141 G HA3 -0.069 3.917 3.960 0.043 0.000 0.206 141 G C -0.451 174.477 174.900 0.047 0.000 1.458 141 G CA 1.787 46.919 45.100 0.053 0.000 0.919 141 G HN 0.348 8.661 8.290 0.048 0.005 0.508 142 R N -1.888 118.637 120.500 0.041 0.000 2.556 142 R HA 0.159 4.696 4.340 0.044 -0.170 0.276 142 R C -0.767 175.559 176.300 0.042 0.000 0.931 142 R CA -0.106 56.019 56.100 0.041 0.000 1.061 142 R CB 1.289 31.608 30.300 0.033 0.000 1.432 142 R HN 0.098 8.392 8.270 0.039 0.000 0.547 143 K N -2.384 118.041 120.400 0.041 0.000 2.564 143 K HA 0.154 4.499 4.320 0.042 0.000 0.205 143 K C -1.371 175.256 176.600 0.045 0.000 1.053 143 K CA -0.108 56.204 56.287 0.040 0.000 1.072 143 K CB 0.094 32.614 32.500 0.033 0.000 0.822 143 K HN -0.101 8.173 8.250 0.040 0.000 0.497 144 N N -1.202 117.529 118.700 0.052 0.000 2.752 144 N HA 0.136 4.909 4.740 0.054 0.000 0.260 144 N C -0.949 174.607 175.510 0.076 0.000 1.562 144 N CA 0.158 53.242 53.050 0.057 0.000 0.788 144 N CB 1.267 39.784 38.487 0.051 0.000 1.192 144 N HN -0.454 7.899 8.380 0.053 0.059 0.503 145 T N 1.659 116.263 114.554 0.083 0.000 3.419 145 T HA 0.063 4.487 4.350 0.123 0.000 0.228 145 T C -1.136 173.639 174.700 0.125 0.000 0.939 145 T CA -0.550 61.617 62.100 0.112 0.000 0.992 145 T CB -1.750 67.182 68.868 0.107 0.000 1.186 145 T HN 0.144 8.428 8.240 0.073 0.000 0.612 146 R N -1.052 119.519 120.500 0.119 0.000 2.515 146 R HA 0.921 5.559 4.340 0.074 -0.253 0.278 146 R C -1.717 174.630 176.300 0.079 0.000 1.107 146 R CA -1.328 54.820 56.100 0.080 0.000 0.945 146 R CB 3.205 33.529 30.300 0.040 0.000 1.219 146 R HN -0.513 7.747 8.270 0.116 0.079 0.434 147 V N -3.296 116.635 119.914 0.029 0.000 3.103 147 V HA 0.435 4.591 4.120 0.064 0.003 0.318 147 V C -1.583 174.469 176.094 -0.070 0.000 1.114 147 V CA -3.508 58.800 62.300 0.012 0.000 1.020 147 V CB 3.115 34.959 31.823 0.035 0.000 1.085 147 V HN 0.481 8.650 8.190 -0.036 0.000 0.446 148 R N -1.530 118.932 120.500 -0.064 0.000 2.750 148 R HA 0.345 4.644 4.340 -0.069 0.000 0.281 148 R C -1.910 174.339 176.300 -0.085 0.000 0.972 148 R CA -1.773 54.293 56.100 -0.057 0.000 0.912 148 R CB 4.329 34.629 30.300 0.001 0.000 1.187 148 R HN 0.149 8.223 8.270 -0.044 0.170 0.464 149 L N 1.579 122.773 121.223 -0.048 0.000 2.309 149 L HA 0.175 4.418 4.340 -0.161 0.000 0.282 149 L C -1.413 175.503 176.870 0.078 0.000 1.036 149 L CA -0.473 54.338 54.840 -0.049 0.000 0.806 149 L CB 2.376 44.446 42.059 0.018 0.000 1.220 149 L HN 0.015 8.233 8.230 -0.020 0.000 0.429 150 V N 3.262 123.205 119.914 0.049 0.000 2.419 150 V HA 0.408 4.864 4.120 0.224 -0.202 0.287 150 V C -1.115 175.036 176.094 0.095 0.000 1.017 150 V CA -1.362 61.040 62.300 0.170 0.000 0.844 150 V CB 1.468 33.434 31.823 0.239 0.000 1.011 150 V HN 0.600 8.740 8.190 -0.084 0.000 0.429 151 F N 8.185 128.176 119.950 0.069 0.000 2.412 151 F HA 0.163 4.731 4.527 0.068 0.000 0.348 151 F C -0.560 175.273 175.800 0.055 0.000 1.102 151 F CA 0.498 58.535 58.000 0.061 0.000 1.196 151 F CB 1.563 40.591 39.000 0.046 0.000 1.144 151 F HN 0.290 8.863 8.300 0.615 0.096 0.541 152 R N 1.382 121.988 120.500 0.177 0.000 2.533 152 R HA 0.544 5.167 4.340 0.118 -0.212 0.288 152 R C -1.752 174.613 176.300 0.108 0.000 1.039 152 R CA -1.008 55.160 56.100 0.114 0.000 0.909 152 R CB 3.456 33.787 30.300 0.051 0.000 1.195 152 R HN 0.784 9.133 8.270 0.133 0.000 0.438 153 V N 1.727 121.700 119.914 0.099 0.000 2.881 153 V HA 0.334 4.502 4.120 0.080 0.000 0.316 153 V C -1.205 174.944 176.094 0.091 0.000 1.070 153 V CA -2.414 59.933 62.300 0.078 0.000 0.976 153 V CB 2.696 34.547 31.823 0.046 0.000 1.038 153 V HN -0.037 8.210 8.190 0.094 0.000 0.446 154 H N 5.580 124.623 119.070 -0.045 0.000 3.108 154 H HA 0.280 4.916 4.556 -0.042 -0.105 0.301 154 H C -1.893 173.370 175.328 -0.108 0.000 1.139 154 H CA -0.750 55.264 56.048 -0.056 0.000 1.552 154 H CB 1.673 31.412 29.762 -0.039 0.000 1.663 154 H HN -0.115 8.216 8.280 0.085 0.000 0.517 155 V N 7.577 127.217 119.914 -0.457 0.000 2.350 155 V HA 0.558 4.449 4.120 -0.382 0.000 0.285 155 V C -2.675 173.150 176.094 -0.448 0.000 1.014 155 V CA -4.751 57.254 62.300 -0.491 0.000 0.831 155 V CB 3.225 34.600 31.823 -0.746 0.000 1.000 155 V HN 0.675 8.527 8.190 -0.388 0.105 0.433 156 P HA 0.194 4.483 4.420 -0.218 0.000 0.282 156 P C -1.337 175.945 177.300 -0.030 0.000 1.274 156 P CA -1.087 61.903 63.100 -0.184 0.000 0.770 156 P CB 0.322 31.977 31.700 -0.076 0.000 0.867 157 Q N 5.429 125.250 119.800 0.034 0.000 2.288 157 Q HA 0.344 4.803 4.340 0.197 0.000 0.258 157 Q C -1.166 174.878 176.000 0.074 0.000 0.957 157 Q CA -2.700 53.175 55.803 0.120 0.000 0.919 157 Q CB 1.433 30.257 28.738 0.144 0.000 1.185 157 Q HN 0.000 8.274 8.270 0.007 0.000 0.408 158 P HA 0.145 4.590 4.420 0.041 0.000 0.237 158 P C -1.290 176.033 177.300 0.037 0.000 1.788 158 P CA 0.380 63.509 63.100 0.048 0.000 1.061 158 P CB -1.064 30.663 31.700 0.046 0.000 1.967 159 S N -0.208 115.514 115.700 0.036 0.000 4.026 159 S HA 0.093 4.576 4.470 0.022 0.000 0.198 159 S C -0.639 173.976 174.600 0.025 0.000 1.069 159 S CA 0.570 58.787 58.200 0.028 0.000 1.200 159 S CB 1.341 64.559 63.200 0.030 0.000 1.385 159 S HN 0.357 8.643 8.310 0.038 0.047 0.449 160 G N 1.332 110.150 108.800 0.029 0.000 3.583 160 G HA2 -0.059 3.915 3.960 0.023 0.000 0.233 160 G HA3 -0.059 3.913 3.960 0.019 0.000 0.233 160 G C -2.036 172.879 174.900 0.025 0.000 3.737 160 G CA 0.870 45.984 45.100 0.024 0.000 0.625 160 G HN -0.177 8.135 8.290 0.037 0.000 0.309 161 R N -1.571 118.947 120.500 0.031 0.000 3.737 161 R HA 0.125 4.479 4.340 0.023 0.000 0.240 161 R C -2.472 173.844 176.300 0.027 0.000 1.044 161 R CA -0.677 55.441 56.100 0.031 0.000 1.164 161 R CB 0.641 30.963 30.300 0.037 0.000 1.244 161 R HN -0.331 7.958 8.270 0.032 0.000 0.537 162 T N 4.118 118.675 114.554 0.006 0.000 2.829 162 T HA 0.093 4.392 4.350 -0.085 0.000 0.282 162 T C -1.179 173.497 174.700 -0.039 0.000 0.990 162 T CA -0.117 61.950 62.100 -0.056 0.000 1.028 162 T CB 1.138 69.965 68.868 -0.068 0.000 0.951 162 T HN 0.213 8.461 8.240 0.013 0.000 0.460 163 L N 7.918 129.094 121.223 -0.078 0.000 2.314 163 L HA 0.325 4.706 4.340 0.069 0.000 0.275 163 L C -1.914 174.917 176.870 -0.066 0.000 1.068 163 L CA -1.488 53.357 54.840 0.008 0.000 0.894 163 L CB -0.585 41.539 42.059 0.110 0.000 1.275 163 L HN 0.695 8.721 8.230 -0.165 0.106 0.432 164 S N 6.061 121.752 115.700 -0.014 0.000 2.472 164 S HA 0.665 5.337 4.470 0.000 -0.202 0.303 164 S C -1.343 173.282 174.600 0.042 0.000 1.099 164 S CA -0.480 57.730 58.200 0.017 0.000 1.077 164 S CB 2.084 65.321 63.200 0.062 0.000 1.031 164 S HN 0.049 8.365 8.310 0.011 0.000 0.487 165 L N 0.786 122.041 121.223 0.053 0.000 2.301 165 L HA 0.365 4.738 4.340 0.055 0.000 0.264 165 L C -1.528 175.380 176.870 0.063 0.000 1.016 165 L CA -0.894 53.984 54.840 0.063 0.000 0.821 165 L CB 3.976 46.083 42.059 0.081 0.000 1.346 165 L HN 0.306 8.463 8.230 0.056 0.108 0.429 166 Q N -0.747 119.090 119.800 0.061 0.000 2.709 166 Q HA 0.590 5.202 4.340 0.085 -0.222 0.232 166 Q C -1.719 174.334 176.000 0.088 0.000 0.856 166 Q CA -0.984 54.857 55.803 0.063 0.000 0.788 166 Q CB 1.275 30.018 28.738 0.010 0.000 1.386 166 Q HN 0.244 8.547 8.270 0.054 0.000 0.453 167 V N 1.414 121.423 119.914 0.158 0.000 2.966 167 V HA 0.378 4.577 4.120 0.133 0.000 0.317 167 V C -1.042 175.183 176.094 0.219 0.000 1.070 167 V CA -2.292 60.112 62.300 0.173 0.000 1.008 167 V CB 2.086 33.999 31.823 0.150 0.000 1.070 167 V HN 0.689 8.892 8.190 0.212 0.114 0.457 168 A N 1.315 124.253 122.820 0.197 0.000 2.357 168 A HA 0.570 5.217 4.320 0.214 -0.198 0.295 168 A C -1.071 176.611 177.584 0.164 0.000 1.121 168 A CA -1.305 50.843 52.037 0.184 0.000 0.742 168 A CB 1.652 20.726 19.000 0.123 0.000 1.181 168 A HN -0.028 8.239 8.150 0.194 0.000 0.454 169 S N 3.591 119.402 115.700 0.185 0.000 2.645 169 S HA 0.069 4.548 4.470 0.015 0.000 0.266 169 S C 0.479 175.095 174.600 0.026 0.000 1.258 169 S CA -1.095 57.158 58.200 0.087 0.000 0.990 169 S CB 1.680 64.988 63.200 0.180 0.000 0.967 169 S HN 0.194 8.551 8.310 0.267 0.113 0.556 170 N N 2.958 121.638 118.700 -0.032 0.000 2.416 170 N HA 0.010 4.735 4.740 -0.025 0.000 0.246 170 N C -1.749 173.713 175.510 -0.080 0.000 1.260 170 N CA -0.085 52.933 53.050 -0.053 0.000 0.897 170 N CB -1.259 37.177 38.487 -0.085 0.000 1.110 170 N HN 0.283 8.627 8.380 -0.061 0.000 0.439 171 P HA 0.101 4.619 4.420 -0.095 -0.155 0.276 171 P C -1.121 176.093 177.300 -0.144 0.000 1.235 171 P CA -0.429 62.615 63.100 -0.094 0.000 0.772 171 P CB 0.834 32.501 31.700 -0.054 0.000 0.871 172 I N 3.723 124.177 120.570 -0.194 0.000 2.471 172 I HA -0.115 3.927 4.170 -0.212 0.000 0.286 172 I C -0.903 175.146 176.117 -0.113 0.000 1.079 172 I CA 0.609 61.772 61.300 -0.228 0.000 1.398 172 I CB 0.357 38.099 38.000 -0.430 0.000 1.403 172 I HN 0.216 8.301 8.210 -0.208 0.000 0.530 173 E N 6.557 126.724 120.200 -0.055 0.000 2.246 173 E HA 0.535 5.095 4.350 0.057 -0.175 0.266 173 E C -1.056 175.603 176.600 0.097 0.000 0.880 173 E CA -1.375 55.039 56.400 0.024 0.000 0.762 173 E CB 3.627 33.318 29.700 -0.014 0.000 1.180 173 E HN -0.118 8.198 8.360 -0.072 0.000 0.416 174 C N 5.972 125.361 119.300 0.147 0.000 2.609 174 C HA 0.297 4.861 4.460 0.172 0.000 0.305 174 C C 0.133 175.213 174.990 0.150 0.000 1.319 174 C CA -0.433 58.687 59.018 0.171 0.000 1.793 174 C CB 1.618 29.482 27.740 0.207 0.000 2.260 174 C HN 0.445 8.769 8.230 0.156 0.000 0.535 175 S N 1.260 117.039 115.700 0.132 0.000 2.537 175 S HA -0.120 4.418 4.470 0.113 0.000 0.286 175 S C -0.192 174.473 174.600 0.109 0.000 1.299 175 S CA 0.805 59.072 58.200 0.112 0.000 1.067 175 S CB 0.694 63.951 63.200 0.095 0.000 0.864 175 S HN -0.182 8.207 8.310 0.130 0.000 0.494 176 Q N 3.720 123.576 119.800 0.093 0.000 2.339 176 Q HA -0.048 4.357 4.340 0.109 0.000 0.205 176 Q C 0.425 176.466 176.000 0.067 0.000 0.925 176 Q CA 0.629 56.483 55.803 0.085 0.000 0.898 176 Q CB 0.215 28.991 28.738 0.063 0.000 1.013 176 Q HN 0.309 8.630 8.270 0.086 0.000 0.504 177 R N 1.976 122.511 120.500 0.059 0.000 2.389 177 R HA 0.089 4.454 4.340 0.041 0.000 0.295 177 R C 0.117 176.447 176.300 0.051 0.000 1.075 177 R CA -0.299 55.829 56.100 0.047 0.000 1.005 177 R CB 0.267 30.591 30.300 0.040 0.000 0.987 177 R HN -0.331 7.976 8.270 0.061 0.000 0.452 178 S N 0.000 115.727 115.700 0.045 0.000 2.498 178 S HA 0.000 4.501 4.470 0.052 0.000 0.327 178 S CA 0.000 58.227 58.200 0.045 0.000 1.107 178 S CB 0.000 63.224 63.200 0.039 0.000 0.593 178 S HN 0.000 8.334 8.310 0.040 0.000 0.517