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 3ncl_1_A DATA FIRST_RESID 11 DATA SEQUENCE VVGGTDADEG EWPWQVSLHA LGQGHIcGAS LISPNWLVSA AHcYIDDRGF DATA SEQUENCE RYSDPTQWTA FLGLHDQSQR SAPGVQERRL KRIISHPFFN DFTFDYDIAL DATA SEQUENCE LELEKPAEYS SMVRPISLPD ASHVFPAGKA IWVTGWGHTQ YGGXXXXXXX DATA SEQUENCE TGALILQKGE IRVINQTTcE NLLPQQITPR MMcVGFLSGG VDScQGDSGG DATA SEQUENCE PLSSVEADGR IFQAGVVSWG DGcAQRNKPG VYTRLPLFRD WIKENTGV 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 11 V HA 0.000 4.145 4.120 0.041 0.000 0.244 11 V C 0.000 176.122 176.094 0.046 0.000 1.182 11 V CA 0.000 62.317 62.300 0.029 0.000 1.235 11 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 12 V N 6.417 126.368 119.914 0.062 0.000 2.481 12 V HA 0.109 4.413 4.120 0.061 -0.147 0.286 12 V C 0.649 176.773 176.094 0.052 0.000 1.042 12 V CA -0.869 61.469 62.300 0.064 0.000 0.928 12 V CB 1.109 32.980 31.823 0.080 0.000 0.986 12 V HN 0.552 8.782 8.190 0.066 0.000 0.462 13 G N 5.829 114.653 108.800 0.041 0.000 2.143 13 G HA2 -0.366 3.608 3.960 0.024 0.000 0.249 13 G HA3 -0.366 3.815 3.960 0.032 -0.202 0.249 13 G C -0.571 174.350 174.900 0.036 0.000 0.981 13 G CA 0.102 45.221 45.100 0.032 0.000 0.665 13 G HN 0.811 9.124 8.290 0.038 0.000 0.528 14 G N -1.178 107.647 108.800 0.041 0.000 2.606 14 G HA2 0.399 4.407 3.960 0.073 0.000 0.262 14 G HA3 0.399 4.485 3.960 0.049 -0.096 0.262 14 G C -1.570 173.365 174.900 0.058 0.000 1.394 14 G CA -1.048 44.086 45.100 0.056 0.000 1.044 14 G HN -0.489 7.776 8.290 0.036 0.046 0.553 15 T N -4.102 110.498 114.554 0.077 0.000 2.883 15 T HA 0.313 4.694 4.350 0.052 0.000 0.296 15 T C -1.992 172.742 174.700 0.056 0.000 1.117 15 T CA -2.137 60.006 62.100 0.072 0.000 1.006 15 T CB 2.400 71.329 68.868 0.101 0.000 1.191 15 T HN 0.202 8.500 8.240 0.097 0.000 0.508 16 D N 1.603 122.032 120.400 0.049 0.000 2.458 16 D HA -0.152 4.623 4.640 -0.001 -0.135 0.243 16 D C 0.091 176.449 176.300 0.097 0.000 1.146 16 D CA 0.887 54.914 54.000 0.045 0.000 0.877 16 D CB -0.178 40.661 40.800 0.064 0.000 1.176 16 D HN 0.117 8.517 8.370 0.050 0.000 0.461 17 A N 4.260 127.145 122.820 0.108 0.000 2.425 17 A HA -0.247 4.323 4.320 0.255 -0.098 0.242 17 A C -0.850 176.867 177.584 0.222 0.000 1.077 17 A CA 0.080 52.251 52.037 0.223 0.000 0.781 17 A CB 1.407 20.583 19.000 0.295 0.000 1.020 17 A HN 0.212 8.383 8.150 0.035 0.000 0.494 18 D N 0.697 121.155 120.400 0.097 0.000 2.362 18 D HA -0.018 4.622 4.640 0.000 0.000 0.242 18 D C 0.239 176.480 176.300 -0.097 0.000 1.132 18 D CA 0.190 54.179 54.000 -0.018 0.000 0.907 18 D CB 1.090 41.827 40.800 -0.105 0.000 1.195 18 D HN -0.179 8.530 8.370 0.063 -0.301 0.429 19 E N 0.433 120.443 120.200 -0.318 0.000 2.417 19 E HA -0.360 3.609 4.350 -0.635 0.000 0.261 19 E C 0.811 177.270 176.600 -0.235 0.000 1.000 19 E CA 1.704 57.817 56.400 -0.478 0.000 0.919 19 E CB -0.184 29.190 29.700 -0.544 0.000 0.955 19 E HN 0.307 8.481 8.360 -0.310 0.000 0.455 20 G N 4.278 112.983 108.800 -0.159 0.000 2.148 20 G HA2 -0.379 3.501 3.960 -0.133 0.000 0.254 20 G HA3 -0.379 3.483 3.960 -0.163 0.000 0.254 20 G C -0.360 174.359 174.900 -0.301 0.000 0.981 20 G CA 0.644 45.640 45.100 -0.172 0.000 0.670 20 G HN 0.681 8.915 8.290 -0.094 0.000 0.528 21 E N -0.724 119.255 120.200 -0.367 0.000 2.208 21 E HA -0.170 3.794 4.350 -0.644 0.000 0.193 21 E C -0.703 175.156 176.600 -1.235 0.000 0.988 21 E CA 1.823 57.785 56.400 -0.730 0.000 0.828 21 E CB 0.686 29.954 29.700 -0.721 0.000 0.763 21 E HN -0.536 7.635 8.360 -0.249 0.039 0.478 22 W N -3.596 117.338 121.300 -0.610 0.000 1.950 22 W HA 0.440 4.089 4.660 -1.685 0.000 0.289 22 W C -2.043 173.807 176.519 -1.115 0.000 0.883 22 W CA -3.389 53.285 57.345 -1.117 0.000 2.031 22 W CB -0.246 28.800 29.460 -0.689 0.000 2.266 22 W HN -0.260 7.688 8.180 -0.388 0.000 0.400 23 P HA 0.033 4.414 4.420 -0.210 -0.087 0.242 23 P C -0.535 176.698 177.300 -0.111 0.000 1.197 23 P CA 1.402 64.292 63.100 -0.350 0.000 0.765 23 P CB 0.275 31.844 31.700 -0.218 0.000 0.936 24 W N -4.665 116.699 121.300 0.106 0.000 3.077 24 W HA 0.278 5.088 4.660 0.080 -0.102 0.266 24 W C -0.633 175.984 176.519 0.164 0.000 1.300 24 W CA -2.337 55.072 57.345 0.106 0.000 1.586 24 W CB -0.999 28.510 29.460 0.082 0.000 1.103 24 W HN -0.441 7.077 8.180 -1.009 0.057 0.652 25 Q N 2.526 122.373 119.800 0.079 0.000 2.313 25 Q HA 0.192 4.815 4.340 0.269 -0.122 0.266 25 Q C -1.102 175.090 176.000 0.321 0.000 0.989 25 Q CA 0.279 56.200 55.803 0.196 0.000 0.890 25 Q CB 0.344 29.103 28.738 0.035 0.000 1.200 25 Q HN -0.554 7.501 8.270 -0.183 0.106 0.396 26 V N 5.923 126.068 119.914 0.385 0.000 2.769 26 V HA 0.386 4.862 4.120 0.392 -0.121 0.312 26 V C -1.502 174.900 176.094 0.514 0.000 1.061 26 V CA -2.077 60.460 62.300 0.394 0.000 0.931 26 V CB 3.494 35.478 31.823 0.269 0.000 1.010 26 V HN 0.313 8.722 8.190 0.365 0.000 0.433 27 S N 3.313 119.266 115.700 0.422 0.000 2.449 27 S HA 0.385 5.204 4.470 0.582 0.000 0.310 27 S C -1.558 173.313 174.600 0.451 0.000 1.096 27 S CA -1.779 56.674 58.200 0.422 0.000 1.095 27 S CB 1.345 64.537 63.200 -0.012 0.000 1.007 27 S HN -0.026 8.497 8.310 0.355 0.000 0.474 28 L N 7.805 129.262 121.223 0.391 0.000 2.280 28 L HA 0.538 5.310 4.340 0.449 -0.163 0.287 28 L C -1.446 175.771 176.870 0.578 0.000 1.023 28 L CA -1.015 54.090 54.840 0.441 0.000 0.819 28 L CB 1.017 43.234 42.059 0.264 0.000 1.212 28 L HN 0.651 9.051 8.230 0.283 0.000 0.420 29 H N 4.205 123.533 119.070 0.430 0.000 2.457 29 H HA 0.515 5.349 4.556 0.154 -0.186 0.335 29 H C -1.363 174.014 175.328 0.082 0.000 1.115 29 H CA -1.768 54.431 56.048 0.252 0.000 1.219 29 H CB 3.483 33.419 29.762 0.290 0.000 1.471 29 H HN 0.633 9.346 8.280 0.721 0.000 0.491 30 A N 2.041 124.725 122.820 -0.227 0.000 2.304 30 A HA 0.739 4.833 4.320 -0.869 -0.295 0.301 30 A C -1.392 175.999 177.584 -0.322 0.000 1.132 30 A CA -1.949 49.685 52.037 -0.672 0.000 0.819 30 A CB 2.074 20.468 19.000 -1.011 0.000 1.094 30 A HN 0.058 8.078 8.150 -0.216 0.000 0.492 31 L N 1.130 122.257 121.223 -0.159 0.000 2.667 31 L HA -0.228 4.118 4.340 0.010 0.000 0.278 31 L C 0.997 177.822 176.870 -0.075 0.000 1.217 31 L CA 1.003 55.838 54.840 -0.008 0.000 0.935 31 L CB -1.471 40.654 42.059 0.110 0.000 1.193 31 L HN -0.152 8.010 8.230 -0.114 0.000 0.493 32 G N 2.703 111.481 108.800 -0.037 0.000 2.155 32 G HA2 -0.234 3.716 3.960 -0.016 0.000 0.257 32 G HA3 -0.234 3.702 3.960 -0.040 0.000 0.257 32 G C -0.513 174.324 174.900 -0.106 0.000 0.983 32 G CA 0.732 45.802 45.100 -0.049 0.000 0.676 32 G HN 0.415 8.706 8.290 0.002 0.000 0.528 33 Q N -1.733 117.976 119.800 -0.152 0.000 2.126 33 Q HA 0.151 4.405 4.340 -0.144 0.000 0.233 33 Q C 0.085 175.994 176.000 -0.152 0.000 0.788 33 Q CA -0.670 55.026 55.803 -0.178 0.000 0.968 33 Q CB 1.460 30.018 28.738 -0.299 0.000 1.163 33 Q HN -0.159 7.992 8.270 -0.142 0.033 0.471 34 G N -0.620 108.105 108.800 -0.126 0.000 2.645 34 G HA2 -0.412 3.438 3.960 -0.183 0.000 0.239 34 G HA3 -0.412 3.398 3.960 -0.250 0.000 0.239 34 G C -2.095 172.418 174.900 -0.645 0.000 1.331 34 G CA -0.473 44.447 45.100 -0.301 0.000 0.890 34 G HN -0.633 7.629 8.290 -0.047 0.000 0.572 35 H N 0.500 118.949 119.070 -1.034 0.000 3.004 35 H HA -0.239 4.039 4.556 -0.686 -0.134 0.316 35 H C -0.597 174.614 175.328 -0.194 0.000 1.014 35 H CA 1.933 57.586 56.048 -0.660 0.000 1.454 35 H CB 0.046 29.550 29.762 -0.430 0.000 1.472 35 H HN 0.254 8.081 8.280 -0.754 0.000 0.571 36 I N 4.581 124.827 120.570 -0.540 0.000 3.673 36 I HA 0.043 4.109 4.170 -0.172 0.000 0.281 36 I C -1.055 174.853 176.117 -0.348 0.000 1.182 36 I CA 0.260 61.399 61.300 -0.269 0.000 1.391 36 I CB 1.964 39.960 38.000 -0.007 0.000 1.383 36 I HN 0.188 8.087 8.210 -0.518 0.000 0.456 37 c N -2.809 115.532 118.600 -0.433 0.000 3.171 37 c HA 0.377 4.892 4.570 -0.091 0.000 0.308 37 c C -1.457 172.632 174.090 -0.002 0.000 1.334 37 c CA -0.671 55.545 56.329 -0.188 0.000 1.473 37 c CB 4.169 46.550 42.510 -0.216 0.000 1.866 37 c HN -0.562 7.421 8.230 -0.411 0.000 0.465 38 G N -1.395 107.521 108.800 0.194 0.000 2.511 38 G HA2 0.749 5.128 3.960 0.443 0.000 0.316 38 G HA3 0.749 4.912 3.960 0.338 0.000 0.316 38 G C -2.780 172.241 174.900 0.201 0.000 1.210 38 G CA -1.290 43.999 45.100 0.316 0.000 0.969 38 G HN 0.381 8.765 8.290 0.157 0.000 0.492 39 A N -3.403 119.560 122.820 0.238 0.000 2.581 39 A HA 0.781 5.491 4.320 0.157 -0.296 0.290 39 A C -2.360 175.361 177.584 0.229 0.000 1.119 39 A CA -0.718 51.431 52.037 0.187 0.000 0.670 39 A CB 3.166 22.252 19.000 0.144 0.000 1.280 39 A HN -0.388 7.939 8.150 0.296 0.000 0.425 40 S N -2.332 113.495 115.700 0.212 0.000 2.526 40 S HA 1.008 5.906 4.470 0.319 -0.236 0.293 40 S C -0.758 173.980 174.600 0.230 0.000 1.092 40 S CA -2.196 56.162 58.200 0.263 0.000 0.980 40 S CB 3.396 66.748 63.200 0.253 0.000 1.048 40 S HN 0.375 8.792 8.310 0.179 0.000 0.483 41 L N 4.471 125.854 121.223 0.267 0.000 2.313 41 L HA 0.145 4.611 4.340 0.210 0.000 0.282 41 L C -0.713 176.273 176.870 0.194 0.000 1.092 41 L CA 0.233 55.211 54.840 0.229 0.000 0.831 41 L CB 1.274 43.476 42.059 0.239 0.000 1.159 41 L HN 0.159 8.586 8.230 0.327 0.000 0.442 42 I N -0.202 120.480 120.570 0.187 0.000 4.288 42 I HA 0.561 4.791 4.170 0.101 0.000 0.331 42 I C -0.574 175.651 176.117 0.180 0.000 1.322 42 I CA -0.634 60.753 61.300 0.145 0.000 1.149 42 I CB 1.618 39.689 38.000 0.118 0.000 1.112 42 I HN 0.083 8.421 8.210 0.213 0.000 0.403 43 S N 0.151 116.007 115.700 0.260 0.000 2.703 43 S HA 0.493 5.174 4.470 0.351 0.000 0.273 43 S C -1.893 172.905 174.600 0.330 0.000 1.178 43 S CA -1.680 56.707 58.200 0.311 0.000 0.838 43 S CB 0.324 63.689 63.200 0.276 0.000 1.178 43 S HN -0.873 7.599 8.310 0.270 0.000 0.494 44 P HA -0.005 4.499 4.420 0.140 0.000 0.223 44 P C -0.258 177.064 177.300 0.036 0.000 1.151 44 P CA 1.902 65.048 63.100 0.078 0.000 0.787 44 P CB 0.218 31.850 31.700 -0.113 0.000 0.788 45 N N -4.595 114.124 118.700 0.032 0.000 2.197 45 N HA 0.210 4.827 4.740 -0.205 0.000 0.201 45 N C -1.839 173.427 175.510 -0.407 0.000 1.148 45 N CA 0.548 53.477 53.050 -0.200 0.000 0.883 45 N CB 2.838 41.160 38.487 -0.275 0.000 1.012 45 N HN -0.521 7.900 8.380 0.128 0.036 0.507 46 W N -1.867 119.441 121.300 0.013 0.000 2.819 46 W HA 0.601 5.425 4.660 -0.034 -0.185 0.337 46 W C -1.753 174.775 176.519 0.015 0.000 1.077 46 W CA -1.035 56.304 57.345 -0.010 0.000 1.226 46 W CB 3.563 33.005 29.460 -0.028 0.000 1.419 46 W HN -0.620 7.706 8.180 0.245 0.000 0.502 47 L N -0.824 120.553 121.223 0.256 0.000 2.333 47 L HA 1.002 5.654 4.340 0.186 -0.200 0.269 47 L C -0.610 176.360 176.870 0.166 0.000 1.010 47 L CA -1.779 53.167 54.840 0.177 0.000 0.818 47 L CB 3.161 45.276 42.059 0.094 0.000 1.306 47 L HN 0.735 9.110 8.230 0.242 0.000 0.430 48 V N 0.530 120.526 119.914 0.138 0.000 2.472 48 V HA 0.580 4.909 4.120 0.103 -0.147 0.290 48 V C -1.038 175.113 176.094 0.095 0.000 1.037 48 V CA -0.631 61.735 62.300 0.110 0.000 0.908 48 V CB 1.961 33.850 31.823 0.111 0.000 0.985 48 V HN 0.215 8.494 8.190 0.147 0.000 0.454 49 S N 4.230 119.972 115.700 0.069 0.000 2.880 49 S HA 0.525 5.277 4.470 0.073 -0.238 0.308 49 S C -1.997 172.617 174.600 0.023 0.000 1.195 49 S CA -2.779 55.462 58.200 0.069 0.000 0.866 49 S CB 2.792 66.059 63.200 0.112 0.000 1.254 49 S HN 0.427 8.774 8.310 0.063 0.000 0.571 50 A N -0.382 122.409 122.820 -0.048 0.000 2.292 50 A HA 0.392 4.624 4.320 -0.147 0.000 0.319 50 A C 0.260 177.659 177.584 -0.308 0.000 1.206 50 A CA -1.559 50.355 52.037 -0.205 0.000 0.835 50 A CB 1.398 20.194 19.000 -0.340 0.000 1.164 50 A HN 0.318 8.430 8.150 -0.063 0.000 0.505 51 A N 6.043 128.616 122.820 -0.411 0.000 1.940 51 A HA -0.287 3.886 4.320 -0.245 0.000 0.219 51 A C 1.458 178.560 177.584 -0.803 0.000 1.176 51 A CA 2.967 54.637 52.037 -0.612 0.000 0.631 51 A CB -0.310 18.018 19.000 -1.120 0.000 0.814 51 A HN 0.563 8.516 8.150 -0.386 -0.035 0.446 52 H N -3.857 114.671 119.070 -0.905 0.000 2.521 52 H HA -0.135 4.079 4.556 -0.570 0.000 0.286 52 H C 1.593 176.656 175.328 -0.442 0.000 1.034 52 H CA 2.406 58.053 56.048 -0.669 0.000 1.278 52 H CB -0.916 28.276 29.762 -0.951 0.000 1.386 52 H HN -0.204 7.842 8.280 -0.824 -0.261 0.567 53 c N -1.536 116.461 118.600 -1.005 0.000 2.437 53 c HA -0.153 3.995 4.570 -0.703 0.000 0.283 53 c C 0.596 174.137 174.090 -0.914 0.000 1.424 53 c CA 2.045 57.750 56.329 -1.039 0.000 1.782 53 c CB -1.918 39.692 42.510 -1.500 0.000 1.833 53 c HN -0.479 7.024 8.230 -1.164 0.029 0.532 54 Y N -4.844 115.399 120.300 -0.095 0.000 2.751 54 Y HA 0.162 5.058 4.550 0.352 -0.135 0.289 54 Y C -1.428 174.592 175.900 0.199 0.000 1.110 54 Y CA -1.736 56.431 58.100 0.111 0.000 1.251 54 Y CB -0.907 37.506 38.460 -0.079 0.000 1.178 54 Y HN -0.547 7.401 8.280 -0.470 0.050 0.540 55 I N 1.355 122.070 120.570 0.242 0.000 2.336 55 I HA -0.030 4.312 4.170 0.288 0.000 0.292 55 I C -0.180 176.169 176.117 0.387 0.000 0.991 55 I CA -2.327 59.146 61.300 0.289 0.000 1.227 55 I CB 0.497 38.655 38.000 0.264 0.000 1.366 55 I HN -0.942 7.282 8.210 0.129 0.064 0.466 56 D N 7.188 127.795 120.400 0.344 0.000 2.449 56 D HA -0.063 4.945 4.640 0.397 -0.130 0.236 56 D C -0.502 175.996 176.300 0.331 0.000 1.149 56 D CA 0.853 55.051 54.000 0.331 0.000 0.878 56 D CB 0.696 41.609 40.800 0.188 0.000 1.198 56 D HN 0.078 8.621 8.370 0.289 0.000 0.446 57 D N 1.941 122.557 120.400 0.360 0.000 2.654 57 D HA 0.276 5.046 4.640 0.217 0.000 0.255 57 D C 0.624 177.030 176.300 0.176 0.000 1.101 57 D CA -1.581 52.577 54.000 0.262 0.000 1.116 57 D CB 1.516 42.494 40.800 0.296 0.000 1.348 57 D HN -0.169 8.450 8.370 0.416 0.000 0.609 58 R N -1.671 118.912 120.500 0.140 0.000 2.152 58 R HA -0.200 4.188 4.340 0.079 0.000 0.232 58 R C 0.837 177.186 176.300 0.081 0.000 1.117 58 R CA 1.917 58.073 56.100 0.093 0.000 0.981 58 R CB -0.114 30.234 30.300 0.080 0.000 0.870 58 R HN 0.390 8.746 8.270 0.143 0.000 0.451 59 G N -3.573 105.295 108.800 0.114 0.000 3.020 59 G HA2 -0.046 3.958 3.960 0.073 0.000 0.217 59 G HA3 -0.046 3.983 3.960 0.115 0.000 0.217 59 G C -1.363 173.617 174.900 0.133 0.000 1.144 59 G CA -0.220 44.943 45.100 0.105 0.000 0.760 59 G HN -0.512 8.068 8.290 0.148 -0.201 0.548 60 F N 0.021 119.901 119.950 -0.117 0.000 2.654 60 F HA 0.146 4.515 4.527 -0.263 0.000 0.314 60 F C -2.343 173.256 175.800 -0.335 0.000 1.116 60 F CA -0.135 57.671 58.000 -0.323 0.000 1.017 60 F CB 3.274 41.903 39.000 -0.618 0.000 1.285 60 F HN -0.778 7.730 8.300 0.134 -0.128 0.448 61 R N 6.780 126.826 120.500 -0.756 0.000 3.266 61 R HA 0.160 4.581 4.340 -0.106 -0.144 0.224 61 R C 0.393 176.581 176.300 -0.186 0.000 1.525 61 R CA -0.731 55.156 56.100 -0.356 0.000 1.364 61 R CB -1.232 28.879 30.300 -0.315 0.000 1.276 61 R HN 0.818 8.383 8.270 -1.174 0.000 0.660 62 Y N 2.648 123.137 120.300 0.314 0.000 2.483 62 Y HA -0.302 4.644 4.550 0.661 0.000 0.291 62 Y C 1.502 177.794 175.900 0.652 0.000 1.143 62 Y CA 2.572 61.019 58.100 0.578 0.000 1.289 62 Y CB -0.561 38.215 38.460 0.527 0.000 0.983 62 Y HN -0.136 8.318 8.280 0.290 0.000 0.556 63 S N -1.807 114.185 115.700 0.487 0.000 2.522 63 S HA -0.111 4.724 4.470 0.422 -0.112 0.227 63 S C 0.007 174.777 174.600 0.283 0.000 0.986 63 S CA 1.179 59.599 58.200 0.368 0.000 0.929 63 S CB 0.197 63.542 63.200 0.242 0.000 0.769 63 S HN -0.485 8.320 8.310 0.372 -0.272 0.529 64 D N 3.073 123.625 120.400 0.253 0.000 2.352 64 D HA 0.338 5.047 4.640 0.114 0.000 0.245 64 D C 0.168 176.634 176.300 0.277 0.000 1.224 64 D CA -3.025 51.067 54.000 0.154 0.000 0.879 64 D CB 1.593 42.393 40.800 0.000 0.000 1.057 64 D HN -0.727 7.632 8.370 0.238 0.154 0.491 65 P HA -0.165 4.429 4.420 0.290 0.000 0.219 65 P C 1.050 178.486 177.300 0.228 0.000 1.146 65 P CA 1.746 64.975 63.100 0.214 0.000 0.808 65 P CB 0.260 31.988 31.700 0.047 0.000 0.779 66 T N -5.458 109.172 114.554 0.127 0.000 3.072 66 T HA -0.196 4.196 4.350 0.069 0.000 0.266 66 T C 0.771 175.516 174.700 0.075 0.000 1.127 66 T CA 1.488 63.632 62.100 0.074 0.000 1.107 66 T CB -0.226 68.653 68.868 0.019 0.000 0.910 66 T HN -0.386 8.147 8.240 0.096 -0.235 0.513 67 Q N -1.697 118.157 119.800 0.092 0.000 2.212 67 Q HA 0.233 4.557 4.340 -0.027 0.000 0.213 67 Q C -1.288 174.629 176.000 -0.139 0.000 0.874 67 Q CA -1.002 54.784 55.803 -0.029 0.000 0.965 67 Q CB -0.176 28.462 28.738 -0.166 0.000 1.074 67 Q HN -0.446 7.866 8.270 0.159 0.053 0.473 68 W N -0.836 120.538 121.300 0.124 0.000 2.781 68 W HA 0.521 5.466 4.660 0.179 -0.178 0.345 68 W C -0.671 175.868 176.519 0.034 0.000 1.085 68 W CA -1.312 56.110 57.345 0.128 0.000 1.198 68 W CB 3.959 33.503 29.460 0.140 0.000 1.423 68 W HN -0.594 7.759 8.180 0.386 0.058 0.532 69 T N 3.376 118.100 114.554 0.284 0.000 2.841 69 T HA 0.588 5.041 4.350 -0.061 -0.139 0.285 69 T C -1.713 172.951 174.700 -0.060 0.000 0.991 69 T CA -0.788 61.304 62.100 -0.014 0.000 0.966 69 T CB 2.581 71.341 68.868 -0.181 0.000 0.962 69 T HN 0.523 8.992 8.240 0.382 0.000 0.438 70 A N 6.019 128.728 122.820 -0.185 0.000 2.290 70 A HA 0.728 5.234 4.320 0.028 -0.169 0.310 70 A C -1.952 175.399 177.584 -0.387 0.000 1.202 70 A CA -2.202 49.757 52.037 -0.131 0.000 0.837 70 A CB 2.067 21.041 19.000 -0.043 0.000 1.139 70 A HN 0.846 8.882 8.150 -0.190 0.000 0.509 71 F N 2.751 122.706 119.950 0.009 0.000 2.375 71 F HA 0.324 4.960 4.527 -0.027 -0.126 0.361 71 F C -1.143 174.689 175.800 0.054 0.000 1.117 71 F CA -0.921 57.064 58.000 -0.025 0.000 1.037 71 F CB 1.292 40.210 39.000 -0.137 0.000 1.192 71 F HN 0.469 8.888 8.300 0.198 0.000 0.452 72 L N 2.376 123.709 121.223 0.184 0.000 2.325 72 L HA 0.342 4.816 4.340 0.223 0.000 0.279 72 L C 1.421 178.402 176.870 0.186 0.000 1.054 72 L CA -1.020 53.929 54.840 0.183 0.000 0.804 72 L CB 0.945 43.084 42.059 0.135 0.000 1.200 72 L HN 0.326 8.631 8.230 0.125 0.000 0.436 73 G N 0.702 109.614 108.800 0.187 0.000 2.147 73 G HA2 -0.444 3.811 3.960 0.133 0.000 0.244 73 G HA3 -0.444 3.771 3.960 0.132 -0.175 0.244 73 G C -1.313 173.703 174.900 0.193 0.000 1.005 73 G CA 0.447 45.642 45.100 0.158 0.000 0.713 73 G HN 0.402 8.805 8.290 0.189 0.000 0.515 74 L N -1.822 119.561 121.223 0.267 0.000 2.350 74 L HA 0.027 4.486 4.340 0.199 0.000 0.275 74 L C -0.717 176.439 176.870 0.476 0.000 1.099 74 L CA -0.176 54.829 54.840 0.274 0.000 0.808 74 L CB 1.078 43.211 42.059 0.123 0.000 1.149 74 L HN -0.598 7.759 8.230 0.304 0.056 0.442 75 H N 4.105 123.343 119.070 0.280 0.000 2.426 75 H HA 0.017 4.784 4.556 0.351 0.000 0.286 75 H C -1.308 174.261 175.328 0.401 0.000 0.990 75 H CA 1.060 57.294 56.048 0.310 0.000 1.237 75 H CB 2.606 32.456 29.762 0.147 0.000 1.466 75 H HN 0.173 8.661 8.280 0.347 0.000 0.525 76 D N -3.727 116.787 120.400 0.189 0.000 2.492 76 D HA 0.465 5.373 4.640 0.072 -0.225 0.248 76 D C 1.058 177.331 176.300 -0.046 0.000 1.101 76 D CA -2.185 51.854 54.000 0.065 0.000 0.840 76 D CB 1.081 41.927 40.800 0.076 0.000 1.209 76 D HN -0.399 8.096 8.370 0.209 0.000 0.524 77 Q N 5.999 125.718 119.800 -0.136 0.000 2.297 77 Q HA -0.284 3.822 4.340 -0.390 0.000 0.208 77 Q C 1.204 177.102 176.000 -0.169 0.000 0.981 77 Q CA 2.527 58.169 55.803 -0.268 0.000 0.876 77 Q CB -0.022 28.546 28.738 -0.284 0.000 0.921 77 Q HN 0.380 8.606 8.270 -0.072 0.000 0.446 78 S N -3.362 112.282 115.700 -0.092 0.000 2.593 78 S HA -0.038 4.387 4.470 -0.075 0.000 0.217 78 S C 0.666 175.230 174.600 -0.060 0.000 0.966 78 S CA 0.912 59.073 58.200 -0.066 0.000 0.914 78 S CB -0.011 63.169 63.200 -0.033 0.000 0.776 78 S HN -0.283 8.286 8.310 -0.064 -0.298 0.523 79 Q N 2.078 121.837 119.800 -0.068 0.000 2.943 79 Q HA 0.218 4.535 4.340 -0.038 0.000 0.327 79 Q C -0.539 175.415 176.000 -0.076 0.000 0.937 79 Q CA -0.425 55.353 55.803 -0.043 0.000 0.914 79 Q CB 0.620 29.364 28.738 0.011 0.000 1.339 79 Q HN -0.365 7.684 8.270 -0.080 0.173 0.417 80 R N -0.263 120.149 120.500 -0.146 0.000 2.310 80 R HA -0.016 4.191 4.340 -0.221 0.000 0.202 80 R C 0.271 176.547 176.300 -0.041 0.000 0.933 80 R CA 1.015 56.985 56.100 -0.216 0.000 1.054 80 R CB 0.169 30.136 30.300 -0.556 0.000 0.985 80 R HN 0.137 8.318 8.270 -0.148 0.000 0.489 81 S N -2.137 113.557 115.700 -0.011 0.000 2.601 81 S HA 0.076 4.576 4.470 0.050 0.000 0.244 81 S C -0.344 174.272 174.600 0.027 0.000 1.001 81 S CA -0.754 57.462 58.200 0.026 0.000 0.984 81 S CB 0.391 63.604 63.200 0.021 0.000 0.842 81 S HN -0.444 7.803 8.310 -0.025 0.048 0.474 82 A N 3.898 126.734 122.820 0.027 0.000 2.366 82 A HA 0.225 4.561 4.320 0.026 0.000 0.249 82 A C -2.412 175.195 177.584 0.038 0.000 1.084 82 A CA -1.410 50.646 52.037 0.032 0.000 0.794 82 A CB -0.762 18.263 19.000 0.042 0.000 1.034 82 A HN -0.769 7.332 8.150 0.021 0.061 0.491 83 P HA -0.142 4.295 4.420 0.029 0.000 0.264 83 P C 0.527 177.849 177.300 0.036 0.000 1.193 83 P CA 1.190 64.307 63.100 0.028 0.000 0.763 83 P CB -0.185 31.525 31.700 0.017 0.000 0.810 84 G N 1.861 110.687 108.800 0.042 0.000 2.259 84 G HA2 -0.333 3.655 3.960 0.047 0.000 0.217 84 G HA3 -0.333 3.655 3.960 0.048 0.000 0.217 84 G C -0.686 174.259 174.900 0.075 0.000 1.001 84 G CA -0.255 44.876 45.100 0.052 0.000 0.627 84 G HN 0.179 8.494 8.290 0.041 0.000 0.501 85 V N 3.200 123.165 119.914 0.084 0.000 2.555 85 V HA 0.017 4.611 4.120 0.133 -0.394 0.286 85 V C -0.600 175.556 176.094 0.103 0.000 1.044 85 V CA 0.387 62.757 62.300 0.117 0.000 1.026 85 V CB 0.351 32.254 31.823 0.133 0.000 0.981 85 V HN -0.655 7.523 8.190 0.075 0.057 0.480 86 Q N 8.361 128.224 119.800 0.105 0.000 2.341 86 Q HA 0.253 4.621 4.340 0.048 0.000 0.268 86 Q C -1.840 174.172 176.000 0.020 0.000 1.013 86 Q CA -1.565 54.274 55.803 0.059 0.000 0.798 86 Q CB 2.535 31.304 28.738 0.052 0.000 1.253 86 Q HN 0.431 8.666 8.270 0.121 0.108 0.457 87 E N 5.350 125.530 120.200 -0.034 0.000 2.249 87 E HA 0.522 4.828 4.350 -0.357 -0.169 0.280 87 E C -0.564 175.922 176.600 -0.190 0.000 1.016 87 E CA -0.650 55.624 56.400 -0.210 0.000 0.830 87 E CB 1.339 30.925 29.700 -0.190 0.000 1.081 87 E HN 0.340 8.694 8.360 -0.010 0.000 0.395 88 R N 4.323 124.672 120.500 -0.252 0.000 2.698 88 R HA 0.405 4.665 4.340 -0.134 0.000 0.275 88 R C -1.296 174.909 176.300 -0.158 0.000 1.001 88 R CA -2.243 53.760 56.100 -0.163 0.000 0.896 88 R CB 3.457 33.686 30.300 -0.119 0.000 1.218 88 R HN 0.485 8.541 8.270 -0.357 0.000 0.462 89 R N 0.209 120.645 120.500 -0.108 0.000 2.543 89 R HA 0.251 4.564 4.340 -0.044 0.000 0.268 89 R C -0.468 175.788 176.300 -0.073 0.000 1.067 89 R CA -0.664 55.397 56.100 -0.065 0.000 1.142 89 R CB 1.549 31.820 30.300 -0.048 0.000 1.110 89 R HN 0.291 8.500 8.270 -0.101 0.000 0.549 90 L N -1.226 119.975 121.223 -0.038 0.000 2.295 90 L HA 0.465 4.876 4.340 -0.140 -0.155 0.285 90 L C -0.276 176.543 176.870 -0.086 0.000 1.035 90 L CA -0.733 54.055 54.840 -0.087 0.000 0.806 90 L CB 0.520 42.533 42.059 -0.076 0.000 1.214 90 L HN 0.475 8.714 8.230 0.014 0.000 0.426 91 K N 4.011 124.323 120.400 -0.147 0.000 2.211 91 K HA -0.028 4.237 4.320 -0.091 0.000 0.201 91 K C -0.327 176.210 176.600 -0.106 0.000 1.052 91 K CA 1.000 57.211 56.287 -0.128 0.000 0.973 91 K CB 1.514 33.910 32.500 -0.174 0.000 0.766 91 K HN 0.487 8.617 8.250 -0.201 0.000 0.466 92 R N -6.706 113.710 120.500 -0.140 0.000 2.690 92 R HA 0.149 4.454 4.340 -0.059 0.000 0.269 92 R C -2.852 173.376 176.300 -0.119 0.000 1.037 92 R CA -0.659 55.387 56.100 -0.089 0.000 0.877 92 R CB 1.904 32.178 30.300 -0.043 0.000 1.255 92 R HN -0.913 7.241 8.270 -0.195 0.000 0.467 93 I N 0.968 121.482 120.570 -0.094 0.000 2.410 93 I HA 0.454 4.637 4.170 -0.207 -0.137 0.286 93 I C -0.749 175.348 176.117 -0.034 0.000 1.009 93 I CA -0.998 60.207 61.300 -0.158 0.000 1.111 93 I CB 1.836 39.672 38.000 -0.273 0.000 1.262 93 I HN 0.325 8.502 8.210 -0.055 0.000 0.443 94 I N 9.266 129.848 120.570 0.020 0.000 2.306 94 I HA 0.165 4.382 4.170 0.079 0.000 0.288 94 I C -1.191 175.021 176.117 0.158 0.000 1.036 94 I CA -1.045 60.302 61.300 0.078 0.000 1.221 94 I CB 0.622 38.639 38.000 0.028 0.000 1.385 94 I HN 0.787 9.014 8.210 0.029 0.000 0.472 95 S N 7.278 123.073 115.700 0.158 0.000 2.513 95 S HA -0.038 4.530 4.470 0.163 0.000 0.276 95 S C -0.398 174.356 174.600 0.256 0.000 1.254 95 S CA -0.713 57.587 58.200 0.168 0.000 1.053 95 S CB 1.001 64.272 63.200 0.120 0.000 0.958 95 S HN 0.452 8.836 8.310 0.123 0.000 0.491 96 H N 9.043 128.166 119.070 0.089 0.000 3.064 96 H HA -0.075 4.376 4.556 -0.175 0.000 0.329 96 H C 0.282 175.617 175.328 0.011 0.000 1.020 96 H CA 1.381 57.325 56.048 -0.173 0.000 1.402 96 H CB 0.845 30.291 29.762 -0.526 0.000 1.379 96 H HN -0.173 8.213 8.280 0.177 0.000 0.594 97 P HA -0.144 4.325 4.420 0.082 0.000 0.219 97 P C -0.334 177.143 177.300 0.295 0.000 1.146 97 P CA 1.952 65.046 63.100 -0.010 0.000 0.808 97 P CB 0.280 31.855 31.700 -0.208 0.000 0.779 98 F N -6.398 113.621 119.950 0.116 0.000 2.727 98 F HA -0.011 4.448 4.527 -0.114 0.000 0.302 98 F C 0.090 175.925 175.800 0.059 0.000 1.097 98 F CA -1.205 56.714 58.000 -0.135 0.000 1.330 98 F CB 0.946 39.382 39.000 -0.941 0.000 1.084 98 F HN -0.662 7.989 8.300 0.646 0.037 0.578 99 F N 3.295 123.414 119.950 0.281 0.000 2.607 99 F HA -0.161 4.756 4.527 0.281 -0.222 0.374 99 F C -0.678 175.240 175.800 0.196 0.000 1.104 99 F CA 1.323 59.462 58.000 0.232 0.000 1.296 99 F CB 0.487 39.581 39.000 0.157 0.000 1.085 99 F HN -0.604 7.867 8.300 0.551 0.160 0.584 100 N N 7.985 126.212 118.700 -0.788 0.000 2.442 100 N HA 0.110 4.594 4.740 -0.426 0.000 0.274 100 N C -0.942 174.020 175.510 -0.913 0.000 1.002 100 N CA -0.602 52.090 53.050 -0.597 0.000 0.910 100 N CB 2.345 40.740 38.487 -0.154 0.000 1.244 100 N HN -0.290 7.643 8.380 -0.744 0.000 0.492 101 D N 6.120 126.146 120.400 -0.623 0.000 2.317 101 D HA -0.127 4.363 4.640 -0.250 0.000 0.211 101 D C 0.706 177.122 176.300 0.194 0.000 0.966 101 D CA 2.054 55.965 54.000 -0.148 0.000 0.876 101 D CB -0.097 40.809 40.800 0.176 0.000 0.927 101 D HN 0.484 8.619 8.370 -0.392 0.000 0.519 102 F N -0.716 119.190 119.950 -0.072 0.000 2.187 102 F HA 0.009 4.483 4.527 -0.088 0.000 0.295 102 F C 1.087 176.782 175.800 -0.176 0.000 1.091 102 F CA 2.245 60.187 58.000 -0.097 0.000 1.308 102 F CB 1.080 40.022 39.000 -0.096 0.000 1.030 102 F HN -0.187 8.403 8.300 0.166 -0.190 0.487 103 T N -4.690 109.843 114.554 -0.035 0.000 3.022 103 T HA -0.034 4.106 4.350 -0.350 0.000 0.250 103 T C 0.747 175.384 174.700 -0.105 0.000 1.060 103 T CA -0.030 61.973 62.100 -0.162 0.000 1.013 103 T CB 1.922 70.788 68.868 -0.005 0.000 0.982 103 T HN -0.628 7.878 8.240 0.053 -0.235 0.508 104 F N -2.619 117.182 119.950 -0.250 0.000 3.069 104 F HA -0.525 4.127 4.527 0.067 -0.084 0.285 104 F C -1.627 174.257 175.800 0.141 0.000 0.827 104 F CA 0.296 58.282 58.000 -0.023 0.000 1.108 104 F CB -1.871 37.091 39.000 -0.064 0.000 1.252 104 F HN -0.345 8.112 8.300 0.261 0.000 0.483 105 D N -1.997 118.536 120.400 0.222 0.000 2.423 105 D HA -0.188 4.570 4.640 0.195 0.000 0.238 105 D C 0.056 176.586 176.300 0.383 0.000 1.142 105 D CA 1.062 55.202 54.000 0.234 0.000 0.884 105 D CB 0.932 41.865 40.800 0.222 0.000 1.199 105 D HN -0.925 7.477 8.370 0.136 0.049 0.438 106 Y N -3.761 116.664 120.300 0.209 0.000 3.234 106 Y HA -0.413 4.169 4.550 0.054 0.000 0.207 106 Y C -1.190 174.790 175.900 0.133 0.000 1.316 106 Y CA 1.113 59.266 58.100 0.087 0.000 1.309 106 Y CB -1.286 37.164 38.460 -0.016 0.000 1.408 106 Y HN 0.838 9.063 8.280 -0.092 0.000 0.544 107 D N -0.375 120.172 120.400 0.244 0.000 2.508 107 D HA 0.109 4.832 4.640 0.139 0.000 0.224 107 D C -1.562 174.675 176.300 -0.105 0.000 1.171 107 D CA 0.048 54.134 54.000 0.143 0.000 1.006 107 D CB -0.410 40.541 40.800 0.252 0.000 1.073 107 D HN -0.001 8.499 8.370 0.217 0.000 0.513 108 I N 2.736 123.179 120.570 -0.211 0.000 2.775 108 I HA 0.580 4.840 4.170 -0.141 -0.174 0.295 108 I C -3.377 172.711 176.117 -0.049 0.000 1.287 108 I CA -1.351 59.825 61.300 -0.207 0.000 1.029 108 I CB 4.240 41.949 38.000 -0.486 0.000 1.282 108 I HN -0.514 7.582 8.210 -0.190 0.000 0.426 109 A N 5.279 128.136 122.820 0.063 0.000 2.556 109 A HA 0.957 5.599 4.320 0.277 -0.155 0.294 109 A C -2.470 175.184 177.584 0.116 0.000 1.091 109 A CA -1.932 50.184 52.037 0.132 0.000 0.704 109 A CB 4.095 23.090 19.000 -0.008 0.000 1.300 109 A HN 0.306 8.481 8.150 0.041 0.000 0.406 110 L N -0.304 120.971 121.223 0.087 0.000 2.333 110 L HA 0.802 5.386 4.340 0.102 -0.182 0.280 110 L C -1.015 175.943 176.870 0.146 0.000 1.004 110 L CA -1.525 53.369 54.840 0.089 0.000 0.820 110 L CB 2.779 44.771 42.059 -0.111 0.000 1.247 110 L HN 0.209 8.498 8.230 0.098 0.000 0.416 111 L N 1.956 123.263 121.223 0.138 0.000 2.305 111 L HA 0.589 4.995 4.340 -0.149 -0.156 0.284 111 L C -1.056 175.707 176.870 -0.178 0.000 1.013 111 L CA -1.599 53.192 54.840 -0.081 0.000 0.819 111 L CB 1.412 43.339 42.059 -0.220 0.000 1.227 111 L HN 0.636 8.978 8.230 0.185 0.000 0.417 112 E N 4.344 124.241 120.200 -0.506 0.000 2.146 112 E HA 0.498 4.150 4.350 -1.443 -0.168 0.282 112 E C -0.646 175.626 176.600 -0.548 0.000 0.989 112 E CA -1.909 53.873 56.400 -1.030 0.000 0.799 112 E CB 2.419 31.375 29.700 -1.240 0.000 1.088 112 E HN 0.049 8.181 8.360 -0.379 0.000 0.397 113 L N 6.259 127.193 121.223 -0.482 0.000 2.439 113 L HA -0.051 4.293 4.340 -0.227 -0.140 0.269 113 L C 0.438 177.152 176.870 -0.260 0.000 1.179 113 L CA 0.468 55.137 54.840 -0.284 0.000 0.828 113 L CB 0.175 42.112 42.059 -0.205 0.000 1.106 113 L HN 0.375 8.272 8.230 -0.555 0.000 0.467 114 E N 2.426 122.519 120.200 -0.179 0.000 2.106 114 E HA -0.291 3.968 4.350 -0.153 0.000 0.192 114 E C -0.367 176.158 176.600 -0.126 0.000 0.984 114 E CA 1.970 58.284 56.400 -0.143 0.000 0.806 114 E CB 0.536 30.175 29.700 -0.103 0.000 0.750 114 E HN 0.193 8.460 8.360 -0.155 0.000 0.458 115 K N -4.360 115.970 120.400 -0.117 0.000 2.469 115 K HA 0.408 4.668 4.320 -0.099 0.000 0.254 115 K C -2.565 173.975 176.600 -0.099 0.000 0.939 115 K CA -3.686 52.542 56.287 -0.098 0.000 0.812 115 K CB 1.352 33.807 32.500 -0.074 0.000 1.301 115 K HN -0.113 8.066 8.250 -0.117 0.000 0.433 116 P HA 0.107 4.639 4.420 -0.092 -0.167 0.272 116 P C -0.777 176.486 177.300 -0.061 0.000 1.223 116 P CA -0.582 62.467 63.100 -0.085 0.000 0.784 116 P CB 0.616 32.261 31.700 -0.091 0.000 0.923 117 A N 1.201 124.003 122.820 -0.031 0.000 2.386 117 A HA 0.072 4.540 4.320 0.014 -0.140 0.248 117 A C -0.369 177.183 177.584 -0.053 0.000 1.082 117 A CA -0.719 51.326 52.037 0.013 0.000 0.789 117 A CB 1.185 20.260 19.000 0.124 0.000 1.025 117 A HN -0.002 8.137 8.150 -0.017 0.000 0.490 118 E N 2.205 122.399 120.200 -0.011 0.000 2.145 118 E HA 0.134 4.380 4.350 -0.175 0.000 0.270 118 E C -1.096 175.566 176.600 0.103 0.000 0.906 118 E CA -1.559 54.810 56.400 -0.051 0.000 0.761 118 E CB 1.880 31.565 29.700 -0.024 0.000 1.116 118 E HN -0.217 8.451 8.360 0.028 -0.291 0.408 119 Y N 4.212 124.533 120.300 0.034 0.000 2.480 119 Y HA 0.158 4.917 4.550 0.052 -0.178 0.338 119 Y C 0.353 176.272 175.900 0.031 0.000 1.220 119 Y CA -0.866 57.260 58.100 0.043 0.000 1.430 119 Y CB 0.006 38.495 38.460 0.047 0.000 1.311 119 Y HN 0.146 8.318 8.280 -0.179 0.000 0.575 120 S N 2.224 118.044 115.700 0.200 0.000 2.790 120 S HA 0.413 4.940 4.470 0.095 0.000 0.292 120 S C -0.169 174.467 174.600 0.061 0.000 1.197 120 S CA -0.980 57.283 58.200 0.105 0.000 0.851 120 S CB 1.640 64.888 63.200 0.080 0.000 1.217 120 S HN 0.326 8.753 8.310 0.196 0.000 0.526 121 S N -1.868 113.848 115.700 0.027 0.000 2.447 121 S HA -0.112 4.351 4.470 -0.013 0.000 0.233 121 S C 0.951 175.535 174.600 -0.028 0.000 1.006 121 S CA 2.629 60.824 58.200 -0.009 0.000 0.957 121 S CB -0.155 63.032 63.200 -0.022 0.000 0.773 121 S HN 0.407 8.733 8.310 0.026 0.000 0.507 122 M N -1.272 118.328 119.600 0.000 0.000 2.414 122 M HA 0.139 4.596 4.480 -0.037 0.000 0.251 122 M C -1.132 175.182 176.300 0.024 0.000 1.116 122 M CA -0.164 55.135 55.300 -0.002 0.000 1.056 122 M CB 2.169 34.785 32.600 0.026 0.000 1.388 122 M HN -0.687 7.580 8.290 0.022 0.037 0.487 123 V N 0.076 120.023 119.914 0.055 0.000 2.447 123 V HA 0.354 4.706 4.120 0.092 -0.177 0.292 123 V C -1.839 174.296 176.094 0.068 0.000 1.021 123 V CA -1.029 61.331 62.300 0.100 0.000 0.850 123 V CB 1.199 33.118 31.823 0.159 0.000 1.005 123 V HN -0.657 7.461 8.190 0.059 0.107 0.426 124 R N 5.597 126.096 120.500 -0.002 0.000 2.643 124 R HA 0.505 4.485 4.340 -0.600 0.000 0.269 124 R C -3.200 173.056 176.300 -0.073 0.000 1.037 124 R CA -2.872 53.100 56.100 -0.213 0.000 0.894 124 R CB 3.693 33.961 30.300 -0.053 0.000 1.238 124 R HN -0.033 8.168 8.270 0.058 0.104 0.459 125 P HA 0.389 5.026 4.420 0.064 -0.178 0.279 125 P C -1.242 176.024 177.300 -0.055 0.000 1.252 125 P CA -0.998 62.057 63.100 -0.074 0.000 0.811 125 P CB 1.302 32.917 31.700 -0.142 0.000 1.035 126 I N 0.023 120.511 120.570 -0.136 0.000 2.460 126 I HA 0.171 3.948 4.170 -0.656 0.000 0.298 126 I C -0.948 175.010 176.117 -0.265 0.000 0.989 126 I CA -1.312 59.698 61.300 -0.483 0.000 1.173 126 I CB 2.945 40.424 38.000 -0.869 0.000 1.338 126 I HN 0.085 8.274 8.210 -0.035 0.000 0.456 127 S N 7.577 123.099 115.700 -0.297 0.000 2.549 127 S HA 0.075 4.494 4.470 -0.084 0.000 0.283 127 S C -0.253 174.348 174.600 0.002 0.000 1.320 127 S CA 0.042 58.157 58.200 -0.141 0.000 1.058 127 S CB 0.348 63.405 63.200 -0.239 0.000 0.882 127 S HN 0.339 8.401 8.310 -0.412 0.000 0.498 128 L N 3.957 125.226 121.223 0.076 0.000 2.417 128 L HA 0.115 4.523 4.340 0.113 0.000 0.268 128 L C -1.295 175.707 176.870 0.221 0.000 1.158 128 L CA -1.928 52.989 54.840 0.129 0.000 0.819 128 L CB -0.035 42.083 42.059 0.098 0.000 1.112 128 L HN 0.205 8.471 8.230 0.060 0.000 0.458 129 P HA 0.170 4.565 4.420 -0.042 0.000 0.284 129 P C -0.986 176.357 177.300 0.073 0.000 1.253 129 P CA -1.076 62.021 63.100 -0.005 0.000 0.800 129 P CB 0.692 32.276 31.700 -0.192 0.000 0.961 130 D N 2.761 123.215 120.400 0.090 0.000 2.384 130 D HA -0.140 4.547 4.640 0.079 0.000 0.244 130 D C 1.186 177.521 176.300 0.058 0.000 1.251 130 D CA -0.853 53.193 54.000 0.076 0.000 0.961 130 D CB 0.393 41.231 40.800 0.063 0.000 1.116 130 D HN 0.178 8.616 8.370 0.114 0.000 0.484 131 A N -0.833 122.012 122.820 0.041 0.000 2.070 131 A HA -0.136 4.419 4.320 0.033 -0.215 0.220 131 A C 0.679 178.263 177.584 0.001 0.000 1.159 131 A CA 2.162 54.213 52.037 0.024 0.000 0.656 131 A CB -0.324 18.686 19.000 0.017 0.000 0.800 131 A HN 0.565 8.738 8.150 0.039 0.000 0.453 132 S N -3.498 112.192 115.700 -0.016 0.000 2.556 132 S HA 0.043 4.483 4.470 -0.050 0.000 0.216 132 S C 0.113 174.652 174.600 -0.101 0.000 0.970 132 S CA 0.007 58.174 58.200 -0.055 0.000 0.912 132 S CB 0.569 63.728 63.200 -0.070 0.000 0.790 132 S HN -0.511 8.011 8.310 -0.010 -0.219 0.504 133 H N 3.769 122.717 119.070 -0.203 0.000 2.848 133 H HA -0.095 4.223 4.556 -0.397 0.000 0.341 133 H C -1.286 173.793 175.328 -0.416 0.000 1.060 133 H CA 1.259 57.080 56.048 -0.379 0.000 1.444 133 H CB 0.914 30.388 29.762 -0.480 0.000 1.446 133 H HN -0.664 7.643 8.280 0.030 -0.010 0.583 134 V N 6.986 126.660 119.914 -0.401 0.000 2.604 134 V HA 0.099 4.120 4.120 -0.164 0.000 0.305 134 V C -1.344 174.481 176.094 -0.449 0.000 1.043 134 V CA -0.845 61.283 62.300 -0.287 0.000 0.888 134 V CB 1.952 33.662 31.823 -0.188 0.000 0.995 134 V HN 0.134 7.965 8.190 -0.598 0.000 0.429 135 F N 4.677 124.653 119.950 0.043 0.000 2.359 135 F HA 0.381 4.930 4.527 0.036 0.000 0.369 135 F C -1.875 173.915 175.800 -0.017 0.000 1.084 135 F CA -3.169 54.843 58.000 0.020 0.000 1.096 135 F CB 0.164 39.163 39.000 -0.001 0.000 1.335 135 F HN 0.091 8.458 8.300 0.112 0.000 0.457 136 P HA 0.006 4.439 4.420 0.022 0.000 0.274 136 P C -1.088 176.228 177.300 0.028 0.000 1.231 136 P CA -1.378 61.741 63.100 0.032 0.000 0.790 136 P CB 0.524 32.224 31.700 -0.001 0.000 0.951 137 A N 0.329 123.153 122.820 0.005 0.000 2.565 137 A HA -0.376 4.045 4.320 -0.024 -0.115 0.237 137 A C 1.162 178.737 177.584 -0.016 0.000 1.053 137 A CA 1.419 53.448 52.037 -0.014 0.000 0.755 137 A CB -0.255 18.734 19.000 -0.018 0.000 0.980 137 A HN 0.157 8.309 8.150 0.003 0.000 0.506 138 G N 2.411 111.190 108.800 -0.035 0.000 2.254 138 G HA2 -0.448 3.487 3.960 -0.041 0.000 0.225 138 G HA3 -0.448 3.503 3.960 -0.015 0.000 0.225 138 G C -1.000 173.879 174.900 -0.034 0.000 1.003 138 G CA -0.335 44.746 45.100 -0.032 0.000 0.622 138 G HN 0.716 8.865 8.290 -0.055 0.108 0.507 139 K N 2.781 123.170 120.400 -0.018 0.000 2.412 139 K HA 0.034 4.366 4.320 0.019 0.000 0.281 139 K C -1.486 175.082 176.600 -0.053 0.000 1.027 139 K CA -0.098 56.192 56.287 0.005 0.000 0.989 139 K CB 1.109 33.652 32.500 0.072 0.000 0.935 139 K HN -0.413 7.773 8.250 -0.009 0.058 0.475 140 A N 6.012 128.807 122.820 -0.041 0.000 2.320 140 A HA 0.546 4.933 4.320 -0.197 -0.185 0.287 140 A C -0.396 177.128 177.584 -0.100 0.000 1.181 140 A CA -0.720 51.247 52.037 -0.116 0.000 0.831 140 A CB 0.236 19.188 19.000 -0.079 0.000 1.102 140 A HN 0.252 8.401 8.150 -0.000 0.000 0.513 141 I N -3.980 116.451 120.570 -0.231 0.000 3.343 141 I HA 0.560 4.768 4.170 0.063 0.000 0.315 141 I C -2.516 173.392 176.117 -0.348 0.000 1.153 141 I CA -2.013 59.207 61.300 -0.133 0.000 0.952 141 I CB 3.298 41.229 38.000 -0.116 0.000 1.287 141 I HN 0.479 8.497 8.210 -0.321 0.000 0.472 142 W N -2.235 119.023 121.300 -0.070 0.000 2.736 142 W HA 0.680 5.445 4.660 -0.108 -0.169 0.335 142 W C -1.180 175.206 176.519 -0.221 0.000 1.059 142 W CA -1.081 56.190 57.345 -0.123 0.000 1.226 142 W CB 3.122 32.532 29.460 -0.083 0.000 1.416 142 W HN 0.105 8.428 8.180 0.237 0.000 0.505 143 V N 2.151 122.042 119.914 -0.038 0.000 2.628 143 V HA 0.788 4.872 4.120 -0.060 0.000 0.306 143 V C -1.857 174.129 176.094 -0.181 0.000 1.045 143 V CA -2.686 59.572 62.300 -0.071 0.000 0.905 143 V CB 3.135 34.967 31.823 0.015 0.000 0.997 143 V HN 0.681 8.847 8.190 -0.041 0.000 0.436 144 T N 2.498 116.907 114.554 -0.242 0.000 2.906 144 T HA 0.970 5.266 4.350 -0.396 -0.184 0.295 144 T C -1.202 173.342 174.700 -0.260 0.000 1.075 144 T CA -2.593 59.271 62.100 -0.394 0.000 1.005 144 T CB 3.120 71.554 68.868 -0.723 0.000 1.136 144 T HN -0.346 7.801 8.240 -0.155 0.000 0.498 145 G N 0.037 108.613 108.800 -0.374 0.000 2.320 145 G HA2 0.134 3.889 3.960 -0.341 0.000 0.297 145 G HA3 0.134 4.201 3.960 -0.082 -0.157 0.297 145 G C -2.245 172.421 174.900 -0.389 0.000 1.344 145 G CA 0.472 45.395 45.100 -0.296 0.000 0.851 145 G HN -0.216 7.792 8.290 -0.469 0.000 0.567 146 W N 0.671 121.881 121.300 -0.150 0.000 3.102 146 W HA 0.344 4.899 4.660 -0.176 0.000 0.401 146 W C 0.064 176.491 176.519 -0.154 0.000 1.070 146 W CA -0.798 56.395 57.345 -0.254 0.000 1.921 146 W CB 0.874 29.999 29.460 -0.558 0.000 1.118 146 W HN 0.565 8.881 8.180 0.227 0.000 0.647 147 G N -0.397 108.483 108.800 0.134 0.000 2.683 147 G HA2 -0.033 4.092 3.960 0.173 0.000 0.260 147 G HA3 -0.033 4.078 3.960 0.107 -0.087 0.260 147 G C -1.092 173.922 174.900 0.190 0.000 1.238 147 G CA -0.734 44.454 45.100 0.145 0.000 0.934 147 G HN -0.149 8.458 8.290 0.105 -0.254 0.534 148 H N -0.554 118.549 119.070 0.055 0.000 3.038 148 H HA -0.323 4.370 4.556 0.022 -0.124 0.338 148 H C 0.681 176.027 175.328 0.031 0.000 1.041 148 H CA 0.940 57.006 56.048 0.030 0.000 1.394 148 H CB 0.343 30.112 29.762 0.012 0.000 1.357 148 H HN 0.042 8.400 8.280 0.130 0.000 0.600 149 T N -4.081 110.551 114.554 0.130 0.000 3.069 149 T HA 0.082 4.711 4.350 0.081 -0.230 0.252 149 T C -0.692 174.052 174.700 0.073 0.000 1.053 149 T CA -0.479 61.668 62.100 0.078 0.000 0.964 149 T CB 1.392 70.285 68.868 0.040 0.000 1.005 149 T HN -0.245 8.047 8.240 0.088 0.000 0.532 150 Q N -0.122 119.728 119.800 0.083 0.000 2.391 150 Q HA 0.207 4.614 4.340 0.112 0.000 0.279 150 Q C -2.601 173.483 176.000 0.141 0.000 1.028 150 Q CA -0.781 55.079 55.803 0.095 0.000 0.836 150 Q CB 2.516 31.282 28.738 0.047 0.000 1.414 150 Q HN -0.703 7.577 8.270 0.081 0.038 0.397 151 Y N 3.882 124.227 120.300 0.075 0.000 2.717 151 Y HA -0.337 4.307 4.550 0.156 0.000 0.330 151 Y C 1.706 177.651 175.900 0.076 0.000 1.217 151 Y CA 1.872 60.032 58.100 0.100 0.000 1.506 151 Y CB 0.229 38.727 38.460 0.063 0.000 1.268 151 Y HN 0.389 8.841 8.280 0.288 0.000 0.561 152 G N 5.917 114.393 108.800 -0.540 0.000 2.162 152 G HA2 -0.489 3.202 3.960 -0.448 0.000 0.260 152 G HA3 -0.489 3.266 3.960 -0.342 0.000 0.260 152 G C -0.507 174.223 174.900 -0.284 0.000 0.976 152 G CA -0.386 44.469 45.100 -0.409 0.000 0.655 152 G HN 0.514 8.437 8.290 -0.613 0.000 0.533 162 G N -0.776 108.060 108.800 0.059 0.000 2.667 162 G HA2 0.116 4.266 3.960 0.259 0.000 0.250 162 G HA3 0.116 4.184 3.960 0.180 0.000 0.250 162 G C -1.536 173.415 174.900 0.084 0.000 1.212 162 G CA -0.211 44.991 45.100 0.169 0.000 0.874 162 G HN 0.186 8.511 8.290 0.058 0.000 0.561 163 A N -0.391 122.494 122.820 0.108 0.000 2.309 163 A HA 0.179 4.533 4.320 0.057 0.000 0.298 163 A C -0.598 177.080 177.584 0.158 0.000 1.165 163 A CA -0.755 51.337 52.037 0.092 0.000 0.821 163 A CB 1.211 20.241 19.000 0.049 0.000 1.102 163 A HN -0.373 7.857 8.150 0.133 0.000 0.500 164 L N 1.744 123.024 121.223 0.096 0.000 2.072 164 L HA -0.097 4.283 4.340 0.067 0.000 0.205 164 L C -0.162 176.814 176.870 0.176 0.000 1.079 164 L CA 1.710 56.606 54.840 0.092 0.000 0.752 164 L CB 0.576 42.652 42.059 0.028 0.000 0.906 164 L HN 0.270 8.534 8.230 0.057 0.000 0.436 165 I N -3.727 116.882 120.570 0.066 0.000 2.331 165 I HA 0.218 4.465 4.170 -0.140 -0.160 0.292 165 I C 0.197 176.182 176.117 -0.220 0.000 0.998 165 I CA -2.855 58.382 61.300 -0.104 0.000 1.267 165 I CB -0.374 37.533 38.000 -0.154 0.000 1.386 165 I HN -0.899 7.329 8.210 0.031 0.000 0.476 166 L N 8.525 129.483 121.223 -0.442 0.000 2.615 166 L HA -0.200 3.221 4.340 -1.532 0.000 0.284 166 L C -1.223 175.368 176.870 -0.464 0.000 1.237 166 L CA 1.009 55.314 54.840 -0.893 0.000 0.905 166 L CB 0.633 42.211 42.059 -0.802 0.000 1.149 166 L HN -0.020 7.977 8.230 -0.387 0.000 0.499 167 Q N 5.793 125.323 119.800 -0.450 0.000 2.257 167 Q HA 0.643 5.057 4.340 -0.150 -0.164 0.262 167 Q C -0.532 175.316 176.000 -0.253 0.000 0.997 167 Q CA -2.003 53.660 55.803 -0.233 0.000 0.873 167 Q CB 2.614 31.261 28.738 -0.152 0.000 1.312 167 Q HN -0.006 7.922 8.270 -0.570 0.000 0.450 168 K N -1.489 118.846 120.400 -0.108 0.000 2.375 168 K HA 0.872 5.230 4.320 -0.231 -0.177 0.249 168 K C -1.266 175.419 176.600 0.143 0.000 0.942 168 K CA -2.306 53.940 56.287 -0.068 0.000 0.806 168 K CB 4.057 36.563 32.500 0.010 0.000 1.227 168 K HN 0.627 8.862 8.250 -0.026 0.000 0.430 169 G N 0.109 109.013 108.800 0.173 0.000 2.731 169 G HA2 0.236 4.270 3.960 0.124 0.000 0.298 169 G HA3 0.236 4.215 3.960 0.030 0.000 0.298 169 G C -3.191 171.602 174.900 -0.179 0.000 1.424 169 G CA -0.233 44.914 45.100 0.077 0.000 1.029 169 G HN 0.204 8.575 8.290 0.135 0.000 0.518 170 E N 2.973 122.844 120.200 -0.548 0.000 2.227 170 E HA 0.715 4.432 4.350 -1.341 -0.171 0.282 170 E C -0.870 175.510 176.600 -0.368 0.000 1.015 170 E CA -1.197 54.608 56.400 -0.992 0.000 0.823 170 E CB 1.541 30.495 29.700 -1.244 0.000 1.081 170 E HN 0.123 8.254 8.360 -0.381 0.000 0.396 171 I N -0.516 119.769 120.570 -0.475 0.000 3.095 171 I HA 0.493 4.168 4.170 -0.824 0.000 0.310 171 I C -2.342 173.397 176.117 -0.629 0.000 1.196 171 I CA -2.085 58.857 61.300 -0.597 0.000 0.985 171 I CB 4.560 42.293 38.000 -0.445 0.000 1.250 171 I HN 0.675 8.544 8.210 -0.567 0.000 0.446 172 R N -0.337 119.679 120.500 -0.806 0.000 2.637 172 R HA 0.703 5.024 4.340 -0.367 -0.201 0.291 172 R C 0.390 176.472 176.300 -0.363 0.000 0.963 172 R CA -2.238 53.568 56.100 -0.489 0.000 0.901 172 R CB 3.419 33.469 30.300 -0.417 0.000 1.160 172 R HN 0.162 7.660 8.270 -1.109 0.106 0.457 173 V N 4.768 124.540 119.914 -0.236 0.000 2.599 173 V HA -0.204 3.795 4.120 -0.201 0.000 0.300 173 V C -0.625 175.389 176.094 -0.133 0.000 1.034 173 V CA 1.748 63.946 62.300 -0.170 0.000 1.115 173 V CB 0.264 32.034 31.823 -0.087 0.000 0.934 173 V HN 0.147 8.218 8.190 -0.198 0.000 0.485 174 I N 6.156 126.656 120.570 -0.116 0.000 2.498 174 I HA 0.024 4.144 4.170 -0.082 0.000 0.301 174 I C -1.042 175.045 176.117 -0.051 0.000 0.984 174 I CA -2.661 58.589 61.300 -0.084 0.000 1.204 174 I CB 0.084 38.033 38.000 -0.085 0.000 1.362 174 I HN 0.122 8.261 8.210 -0.119 0.000 0.471 175 N N 3.926 122.604 118.700 -0.036 0.000 2.407 175 N HA -0.209 4.519 4.740 -0.020 0.000 0.250 175 N C 0.822 176.320 175.510 -0.020 0.000 1.236 175 N CA 0.818 53.855 53.050 -0.023 0.000 0.879 175 N CB 1.745 40.221 38.487 -0.017 0.000 1.088 175 N HN 0.125 8.483 8.380 -0.036 0.000 0.450 176 Q N 5.431 125.223 119.800 -0.012 0.000 2.119 176 Q HA -0.214 4.120 4.340 -0.011 0.000 0.201 176 Q C 1.904 177.901 176.000 -0.005 0.000 0.972 176 Q CA 3.395 59.193 55.803 -0.008 0.000 0.847 176 Q CB 0.057 28.794 28.738 -0.002 0.000 0.903 176 Q HN 0.734 8.998 8.270 -0.010 0.000 0.433 177 T N 2.186 116.737 114.554 -0.004 0.000 2.746 177 T HA -0.306 4.221 4.350 0.001 -0.177 0.267 177 T C 1.766 176.464 174.700 -0.004 0.000 1.039 177 T CA 4.135 66.234 62.100 -0.002 0.000 1.142 177 T CB -0.331 68.535 68.868 -0.002 0.000 0.866 177 T HN -0.467 7.916 8.240 -0.005 -0.146 0.444 178 T N 4.863 119.412 114.554 -0.009 0.000 2.684 178 T HA -0.452 3.893 4.350 -0.008 0.000 0.267 178 T C 1.303 175.994 174.700 -0.014 0.000 1.036 178 T CA 4.949 67.042 62.100 -0.011 0.000 1.148 178 T CB -0.067 68.792 68.868 -0.015 0.000 0.863 178 T HN -0.609 7.869 8.240 -0.010 -0.244 0.436 179 c N 2.983 121.571 118.600 -0.019 0.000 2.413 179 c HA -0.386 4.161 4.570 -0.038 0.000 0.277 179 c C 1.943 176.029 174.090 -0.007 0.000 1.228 179 c CA 2.666 58.979 56.329 -0.026 0.000 1.731 179 c CB -1.859 40.632 42.510 -0.032 0.000 2.042 179 c HN -0.071 8.147 8.230 -0.020 0.000 0.468 180 E N -0.695 119.508 120.200 0.006 0.000 2.097 180 E HA -0.464 3.907 4.350 0.036 0.000 0.196 180 E C 2.307 178.919 176.600 0.020 0.000 1.000 180 E CA 3.336 59.749 56.400 0.022 0.000 0.804 180 E CB -0.249 29.463 29.700 0.019 0.000 0.740 180 E HN -0.162 8.199 8.360 0.003 0.000 0.454 181 N N -1.630 117.075 118.700 0.009 0.000 2.354 181 N HA -0.166 4.580 4.740 0.010 0.000 0.179 181 N C 2.096 177.610 175.510 0.006 0.000 1.021 181 N CA 2.286 55.341 53.050 0.007 0.000 0.887 181 N CB -0.175 38.313 38.487 0.002 0.000 0.974 181 N HN -0.607 7.766 8.380 0.004 0.010 0.437 182 L N -2.595 118.628 121.223 0.000 0.000 2.141 182 L HA -0.196 4.142 4.340 -0.004 0.000 0.209 182 L C -0.349 176.526 176.870 0.009 0.000 1.094 182 L CA 2.830 57.667 54.840 -0.004 0.000 0.763 182 L CB 0.678 42.725 42.059 -0.019 0.000 0.908 182 L HN -0.469 7.670 8.230 -0.003 0.089 0.437 183 L N -5.514 115.726 121.223 0.028 0.000 2.556 183 L HA 0.472 4.854 4.340 0.070 0.000 0.243 183 L C -2.917 174.000 176.870 0.079 0.000 1.331 183 L CA -2.771 52.115 54.840 0.076 0.000 0.927 183 L CB 0.495 42.633 42.059 0.131 0.000 1.219 183 L HN -0.789 7.436 8.230 0.025 0.019 0.490 184 P HA 0.151 4.787 4.420 0.033 -0.196 0.271 184 P C 0.416 177.734 177.300 0.030 0.000 1.216 184 P CA -0.066 63.053 63.100 0.032 0.000 0.776 184 P CB 0.479 32.189 31.700 0.016 0.000 0.881 185 Q N -3.989 115.828 119.800 0.029 0.000 2.480 185 Q HA -0.414 3.941 4.340 0.025 0.000 0.265 185 Q C -0.442 175.570 176.000 0.020 0.000 1.072 185 Q CA 1.915 57.731 55.803 0.021 0.000 1.018 185 Q CB -2.592 26.151 28.738 0.009 0.000 1.433 185 Q HN 0.590 8.878 8.270 0.029 0.000 0.513 186 Q N -4.376 115.460 119.800 0.059 0.000 2.210 186 Q HA 0.041 4.378 4.340 -0.006 0.000 0.252 186 Q C -0.725 175.392 176.000 0.194 0.000 0.811 186 Q CA 0.028 55.879 55.803 0.080 0.000 0.953 186 Q CB 2.238 31.057 28.738 0.135 0.000 1.136 186 Q HN -0.461 7.832 8.270 0.079 0.024 0.491 187 I N -0.368 120.302 120.570 0.167 0.000 2.336 187 I HA 0.118 4.433 4.170 0.242 0.000 0.292 187 I C -0.034 176.144 176.117 0.102 0.000 0.991 187 I CA -2.032 59.367 61.300 0.165 0.000 1.227 187 I CB -0.183 37.879 38.000 0.104 0.000 1.366 187 I HN -0.275 8.009 8.210 0.123 0.000 0.466 188 T N 3.720 118.334 114.554 0.100 0.000 2.938 188 T HA 0.605 4.980 4.350 0.043 0.000 0.285 188 T C -0.821 173.891 174.700 0.020 0.000 1.028 188 T CA -3.509 58.620 62.100 0.049 0.000 1.005 188 T CB 1.338 70.226 68.868 0.033 0.000 1.157 188 T HN -0.469 7.850 8.240 0.132 0.000 0.550 189 P HA 0.057 4.472 4.420 -0.009 0.000 0.230 189 P C -0.045 177.222 177.300 -0.055 0.000 1.158 189 P CA 1.456 64.541 63.100 -0.026 0.000 0.769 189 P CB -0.016 31.666 31.700 -0.029 0.000 0.807 190 R N -4.067 116.374 120.500 -0.099 0.000 2.276 190 R HA 0.007 4.278 4.340 -0.116 0.000 0.203 190 R C -0.655 175.667 176.300 0.037 0.000 1.017 190 R CA 0.423 56.462 56.100 -0.101 0.000 1.010 190 R CB 0.179 30.313 30.300 -0.276 0.000 0.900 190 R HN -0.568 7.591 8.270 -0.112 0.044 0.469 191 M N -2.242 117.387 119.600 0.049 0.000 2.598 191 M HA 0.756 5.477 4.480 0.104 -0.178 0.317 191 M C -1.033 175.296 176.300 0.048 0.000 1.201 191 M CA -0.581 54.767 55.300 0.081 0.000 0.971 191 M CB 3.912 36.584 32.600 0.120 0.000 1.657 191 M HN -0.361 7.786 8.290 0.032 0.163 0.470 192 M N 0.342 119.969 119.600 0.046 0.000 2.378 192 M HA 0.527 5.011 4.480 0.006 0.000 0.289 192 M C -2.360 173.948 176.300 0.013 0.000 1.136 192 M CA -0.793 54.520 55.300 0.021 0.000 0.917 192 M CB 4.483 37.096 32.600 0.021 0.000 1.669 192 M HN 0.446 8.775 8.290 0.064 0.000 0.461 193 c N 5.912 124.491 118.600 -0.035 0.000 2.527 193 c HA 0.687 5.437 4.570 -0.046 -0.207 0.396 193 c C -0.405 173.643 174.090 -0.069 0.000 1.289 193 c CA -0.589 55.708 56.329 -0.054 0.000 2.047 193 c CB -0.767 41.690 42.510 -0.089 0.000 2.568 193 c HN 0.805 9.011 8.230 -0.041 0.000 0.573 194 V N 3.632 123.515 119.914 -0.052 0.000 2.733 194 V HA 0.690 4.852 4.120 -0.256 -0.195 0.306 194 V C -1.061 174.921 176.094 -0.188 0.000 1.084 194 V CA -1.716 60.446 62.300 -0.230 0.000 0.905 194 V CB 3.092 34.592 31.823 -0.539 0.000 1.010 194 V HN 0.221 8.454 8.190 0.071 0.000 0.424 195 G N 4.317 112.903 108.800 -0.357 0.000 2.491 195 G HA2 0.088 3.824 3.960 -0.372 0.000 0.183 195 G HA3 0.088 3.937 3.960 -0.184 0.000 0.183 195 G C -2.671 171.784 174.900 -0.741 0.000 1.221 195 G CA 0.814 45.689 45.100 -0.376 0.000 0.996 195 G HN 0.184 8.200 8.290 -0.455 0.000 0.474 196 F N -2.095 117.820 119.950 -0.058 0.000 2.578 196 F HA 0.406 4.899 4.527 -0.057 0.000 0.311 196 F C 0.817 176.590 175.800 -0.044 0.000 1.094 196 F CA -1.364 56.604 58.000 -0.054 0.000 0.923 196 F CB 3.456 42.424 39.000 -0.054 0.000 1.230 196 F HN 0.115 8.430 8.300 0.026 0.000 0.450 197 L N 2.667 123.967 121.223 0.129 0.000 2.265 197 L HA -0.288 4.073 4.340 0.035 0.000 0.215 197 L C 0.798 177.711 176.870 0.071 0.000 1.117 197 L CA 2.298 57.177 54.840 0.065 0.000 0.782 197 L CB -0.465 41.618 42.059 0.039 0.000 0.914 197 L HN 0.396 8.706 8.230 0.132 0.000 0.441 198 S N -4.457 111.306 115.700 0.106 0.000 2.631 198 S HA 0.028 4.515 4.470 0.028 0.000 0.217 198 S C 0.915 175.544 174.600 0.049 0.000 0.958 198 S CA -0.496 57.734 58.200 0.050 0.000 0.920 198 S CB -0.891 62.311 63.200 0.003 0.000 0.776 198 S HN -0.212 8.176 8.310 0.162 0.020 0.517 199 G N 0.841 109.703 108.800 0.104 0.000 2.552 199 G HA2 -0.323 3.697 3.960 0.099 0.000 0.265 199 G HA3 -0.323 3.778 3.960 0.047 -0.112 0.265 199 G C 0.642 175.596 174.900 0.091 0.000 1.234 199 G CA 0.274 45.426 45.100 0.087 0.000 0.944 199 G HN -0.401 7.789 8.290 0.142 0.185 0.568 200 G N 1.000 109.828 108.800 0.047 0.000 2.640 200 G HA2 -0.445 3.520 3.960 0.007 0.000 0.226 200 G HA3 -0.445 3.500 3.960 -0.026 0.000 0.226 200 G C -0.930 173.999 174.900 0.049 0.000 1.222 200 G CA 0.784 45.894 45.100 0.016 0.000 0.729 200 G HN -0.162 8.060 8.290 0.040 0.092 0.516 201 V N 2.736 122.725 119.914 0.126 0.000 2.487 201 V HA 0.653 5.071 4.120 0.090 -0.244 0.298 201 V C -2.132 174.043 176.094 0.135 0.000 1.028 201 V CA -1.270 61.114 62.300 0.141 0.000 0.860 201 V CB 2.334 34.284 31.823 0.211 0.000 0.991 201 V HN -0.586 7.655 8.190 0.200 0.069 0.427 202 D N 3.513 123.965 120.400 0.086 0.000 2.683 202 D HA 0.337 5.023 4.640 0.077 0.000 0.246 202 D C -1.710 174.633 176.300 0.072 0.000 1.238 202 D CA -0.998 53.047 54.000 0.075 0.000 0.759 202 D CB 3.816 44.652 40.800 0.061 0.000 1.349 202 D HN -0.136 8.279 8.370 0.076 0.000 0.426 203 S N -0.605 115.143 115.700 0.081 0.000 2.608 203 S HA 0.151 4.762 4.470 0.058 -0.106 0.261 203 S C -1.229 173.396 174.600 0.042 0.000 1.314 203 S CA 0.241 58.474 58.200 0.055 0.000 0.992 203 S CB 1.062 64.285 63.200 0.038 0.000 0.935 203 S HN 0.124 8.500 8.310 0.110 0.000 0.564 204 c N -1.732 116.893 118.600 0.042 0.000 3.314 204 c HA 0.221 4.827 4.570 0.060 0.000 0.344 204 c C -1.477 172.598 174.090 -0.025 0.000 1.461 204 c CA -0.449 55.910 56.329 0.049 0.000 1.249 204 c CB 3.321 45.900 42.510 0.114 0.000 1.632 204 c HN 0.023 8.533 8.230 0.039 -0.257 0.452 205 Q N 2.149 121.856 119.800 -0.155 0.000 2.308 205 Q HA -0.266 3.994 4.340 -0.132 0.000 0.313 205 Q C 0.446 176.285 176.000 -0.267 0.000 1.075 205 Q CA 2.215 57.837 55.803 -0.301 0.000 0.995 205 Q CB 0.551 28.924 28.738 -0.608 0.000 1.107 205 Q HN 0.872 9.058 8.270 -0.140 0.000 0.380 206 G N 6.366 115.138 108.800 -0.046 0.000 2.232 206 G HA2 -0.415 3.831 3.960 0.146 0.000 0.226 206 G HA3 -0.415 3.652 3.960 0.178 0.000 0.226 206 G C 0.639 175.704 174.900 0.275 0.000 0.996 206 G CA 0.914 46.101 45.100 0.145 0.000 0.626 206 G HN 0.664 8.943 8.290 -0.018 0.000 0.509 207 D N 2.221 122.710 120.400 0.148 0.000 2.305 207 D HA -0.056 4.705 4.640 0.200 0.000 0.206 207 D C 0.013 176.387 176.300 0.124 0.000 0.974 207 D CA 1.285 55.373 54.000 0.147 0.000 0.871 207 D CB 0.216 41.064 40.800 0.079 0.000 0.947 207 D HN 0.094 8.453 8.370 0.083 0.061 0.516 208 S N -2.085 113.673 115.700 0.096 0.000 2.599 208 S HA -0.371 4.289 4.470 0.089 -0.137 0.303 208 S C 0.844 175.447 174.600 0.006 0.000 1.267 208 S CA 1.728 59.971 58.200 0.071 0.000 1.055 208 S CB -0.225 63.032 63.200 0.094 0.000 0.790 208 S HN -0.162 8.207 8.310 0.098 0.000 0.500 209 G N 5.368 114.165 108.800 -0.004 0.000 2.241 209 G HA2 -0.430 3.589 3.960 -0.022 0.000 0.244 209 G HA3 -0.430 3.630 3.960 -0.037 -0.122 0.244 209 G C 0.078 175.032 174.900 0.089 0.000 0.998 209 G CA 0.221 45.320 45.100 -0.002 0.000 0.621 209 G HN 0.468 8.666 8.290 0.018 0.103 0.519 210 G N 0.975 109.851 108.800 0.126 0.000 2.599 210 G HA2 0.360 4.430 3.960 0.184 0.000 0.264 210 G HA3 0.360 4.417 3.960 0.162 0.000 0.264 210 G C -2.701 172.293 174.900 0.157 0.000 1.200 210 G CA -1.969 43.228 45.100 0.161 0.000 0.896 210 G HN -0.409 7.876 8.290 0.120 0.077 0.536 211 P HA 0.311 4.960 4.420 0.137 -0.146 0.286 211 P C -1.110 176.258 177.300 0.113 0.000 1.261 211 P CA -1.127 62.069 63.100 0.160 0.000 0.821 211 P CB 1.519 33.366 31.700 0.245 0.000 1.013 212 L N 2.704 123.954 121.223 0.045 0.000 2.290 212 L HA 0.362 4.861 4.340 -0.058 -0.194 0.284 212 L C 0.099 176.959 176.870 -0.018 0.000 1.078 212 L CA -0.512 54.289 54.840 -0.065 0.000 0.815 212 L CB 0.903 42.806 42.059 -0.259 0.000 1.162 212 L HN -0.060 8.195 8.230 0.041 0.000 0.435 213 S N 4.902 120.665 115.700 0.105 0.000 2.456 213 S HA 0.421 5.071 4.470 0.102 -0.119 0.316 213 S C -1.323 173.432 174.600 0.258 0.000 1.089 213 S CA -0.752 57.581 58.200 0.222 0.000 1.101 213 S CB 1.037 64.583 63.200 0.577 0.000 0.995 213 S HN 0.609 8.995 8.310 0.127 0.000 0.468 214 S N 5.827 121.628 115.700 0.168 0.000 2.410 214 S HA 0.307 4.941 4.470 0.273 0.000 0.304 214 S C -1.656 173.131 174.600 0.312 0.000 1.095 214 S CA -1.667 56.686 58.200 0.255 0.000 1.089 214 S CB 0.361 63.730 63.200 0.281 0.000 0.968 214 S HN 0.549 8.922 8.310 0.104 0.000 0.480 215 V N 9.392 129.521 119.914 0.359 0.000 2.347 215 V HA 0.207 4.439 4.120 0.186 0.000 0.280 215 V C -0.248 175.994 176.094 0.247 0.000 1.021 215 V CA -0.673 61.786 62.300 0.265 0.000 0.847 215 V CB 0.869 32.842 31.823 0.250 0.000 0.990 215 V HN 0.459 8.915 8.190 0.443 0.000 0.444 216 E N 7.119 127.435 120.200 0.194 0.000 2.280 216 E HA 0.251 4.719 4.350 0.196 0.000 0.264 216 E C 0.788 177.461 176.600 0.120 0.000 1.064 216 E CA -2.082 54.426 56.400 0.181 0.000 0.900 216 E CB 1.238 31.064 29.700 0.210 0.000 1.123 216 E HN 0.335 8.790 8.360 0.159 0.000 0.418 217 A N 1.063 123.947 122.820 0.107 0.000 1.940 217 A HA -0.190 4.179 4.320 0.081 0.000 0.219 217 A C -0.063 177.552 177.584 0.052 0.000 1.176 217 A CA 2.521 54.604 52.037 0.078 0.000 0.631 217 A CB -0.407 18.634 19.000 0.069 0.000 0.814 217 A HN 0.489 8.707 8.150 0.112 0.000 0.446 218 D N -4.553 115.877 120.400 0.051 0.000 2.319 218 D HA -0.068 4.587 4.640 0.024 0.000 0.230 218 D C 0.443 176.750 176.300 0.012 0.000 1.094 218 D CA -0.742 53.276 54.000 0.030 0.000 0.856 218 D CB -0.654 40.166 40.800 0.033 0.000 0.915 218 D HN -0.452 7.956 8.370 0.064 0.000 0.517 219 G N -0.253 108.553 108.800 0.010 0.000 2.195 219 G HA2 -0.472 3.475 3.960 -0.021 0.000 0.246 219 G HA3 -0.472 3.471 3.960 -0.028 0.000 0.246 219 G C -0.301 174.564 174.900 -0.059 0.000 0.984 219 G CA -0.125 44.962 45.100 -0.022 0.000 0.633 219 G HN -0.430 7.805 8.290 0.027 0.071 0.525 220 R N 1.076 121.548 120.500 -0.048 0.000 2.537 220 R HA 0.027 4.223 4.340 -0.240 0.000 0.280 220 R C -1.663 174.520 176.300 -0.196 0.000 1.058 220 R CA 0.002 56.005 56.100 -0.163 0.000 1.057 220 R CB 0.374 30.646 30.300 -0.047 0.000 0.973 220 R HN -0.527 7.933 8.270 0.000 -0.190 0.438 221 I N 1.490 121.802 120.570 -0.430 0.000 2.533 221 I HA 0.816 5.150 4.170 -0.127 -0.239 0.290 221 I C -1.139 174.603 176.117 -0.625 0.000 1.056 221 I CA -1.190 59.900 61.300 -0.350 0.000 1.057 221 I CB 3.412 41.216 38.000 -0.326 0.000 1.240 221 I HN 0.110 7.989 8.210 -0.552 0.000 0.423 222 F N 4.591 124.499 119.950 -0.070 0.000 2.563 222 F HA 0.538 5.150 4.527 -0.131 -0.164 0.316 222 F C -1.405 174.307 175.800 -0.146 0.000 1.076 222 F CA -2.030 55.918 58.000 -0.087 0.000 0.921 222 F CB 4.508 43.520 39.000 0.021 0.000 1.209 222 F HN 0.309 8.690 8.300 0.135 0.000 0.462 223 Q N 2.276 122.087 119.800 0.018 0.000 2.293 223 Q HA 0.153 4.613 4.340 -0.091 -0.174 0.263 223 Q C -0.684 175.244 176.000 -0.119 0.000 1.002 223 Q CA -0.124 55.644 55.803 -0.058 0.000 0.910 223 Q CB 1.259 29.973 28.738 -0.040 0.000 1.185 223 Q HN 0.059 8.344 8.270 0.025 0.000 0.401 224 A N 5.514 128.115 122.820 -0.364 0.000 2.115 224 A HA 0.283 3.954 4.320 -1.082 0.000 0.211 224 A C -1.348 176.019 177.584 -0.362 0.000 1.169 224 A CA 0.573 52.094 52.037 -0.859 0.000 0.787 224 A CB 1.746 19.888 19.000 -1.431 0.000 0.858 224 A HN 0.484 8.450 8.150 -0.308 0.000 0.474 225 G N -5.776 102.928 108.800 -0.159 0.000 2.340 225 G HA2 0.334 4.403 3.960 0.047 0.000 0.299 225 G HA3 0.334 4.304 3.960 -0.015 -0.018 0.299 225 G C -3.039 171.911 174.900 0.082 0.000 1.291 225 G CA 0.382 45.479 45.100 -0.005 0.000 0.841 225 G HN -0.902 7.306 8.290 -0.136 0.000 0.500 226 V N -0.680 119.333 119.914 0.164 0.000 2.638 226 V HA 0.532 4.920 4.120 0.157 -0.174 0.306 226 V C -0.336 175.885 176.094 0.211 0.000 1.052 226 V CA -1.919 60.479 62.300 0.163 0.000 0.885 226 V CB 4.170 36.045 31.823 0.088 0.000 0.999 226 V HN -0.191 8.110 8.190 0.184 0.000 0.424 227 V N 7.171 127.191 119.914 0.176 0.000 2.540 227 V HA -0.281 3.614 4.120 -0.375 0.000 0.297 227 V C -1.046 175.027 176.094 -0.035 0.000 1.024 227 V CA 2.351 64.617 62.300 -0.057 0.000 1.105 227 V CB -0.454 31.374 31.823 0.008 0.000 0.938 227 V HN 0.382 8.680 8.190 0.180 0.000 0.482 228 S N 8.264 123.886 115.700 -0.130 0.000 3.066 228 S HA 0.288 4.964 4.470 0.342 0.000 0.235 228 S C -1.399 173.426 174.600 0.375 0.000 0.995 228 S CA 0.265 58.594 58.200 0.215 0.000 0.835 228 S CB 2.772 66.142 63.200 0.283 0.000 0.814 228 S HN 0.037 8.092 8.310 -0.426 0.000 0.594 229 W N -2.852 118.424 121.300 -0.040 0.000 2.937 229 W HA 0.319 4.946 4.660 -0.055 0.000 0.360 229 W C -2.579 173.861 176.519 -0.132 0.000 1.215 229 W CA -0.773 56.530 57.345 -0.069 0.000 1.183 229 W CB 2.134 31.537 29.460 -0.096 0.000 1.458 229 W HN -0.106 7.908 8.180 -0.277 0.000 0.574 230 G N -2.517 106.388 108.800 0.175 0.000 2.576 230 G HA2 -0.077 3.725 3.960 -0.263 0.000 0.290 230 G HA3 -0.077 3.831 3.960 -0.087 0.000 0.290 230 G C -2.560 172.441 174.900 0.169 0.000 1.442 230 G CA -0.169 44.924 45.100 -0.013 0.000 0.792 230 G HN -0.068 8.421 8.290 0.332 0.000 0.491 231 D N 1.428 121.871 120.400 0.072 0.000 2.428 231 D HA 0.104 4.780 4.640 0.060 0.000 0.221 231 D C 0.677 176.934 176.300 -0.072 0.000 1.123 231 D CA -0.949 53.074 54.000 0.038 0.000 0.869 231 D CB -0.068 40.756 40.800 0.040 0.000 1.032 231 D HN 0.158 8.525 8.370 -0.006 0.000 0.506 232 G N 2.366 111.083 108.800 -0.138 0.000 2.601 232 G HA2 -0.422 3.126 3.960 -0.686 0.000 0.261 232 G HA3 -0.422 3.417 3.960 -0.459 -0.155 0.261 232 G C -2.507 172.347 174.900 -0.076 0.000 1.289 232 G CA -0.186 44.696 45.100 -0.364 0.000 0.920 232 G HN -0.042 8.195 8.290 -0.088 0.000 0.571 233 c N 0.880 119.453 118.600 -0.045 0.000 2.608 233 c HA 0.241 4.987 4.570 0.045 -0.149 0.325 233 c C -0.380 173.733 174.090 0.038 0.000 1.147 233 c CA -1.120 55.251 56.329 0.069 0.000 1.359 233 c CB 1.280 43.908 42.510 0.197 0.000 1.912 233 c HN -0.101 8.039 8.230 -0.150 0.000 0.466 234 A N 2.833 125.673 122.820 0.032 0.000 2.899 234 A HA -0.436 3.913 4.320 0.049 0.000 0.257 234 A C -0.762 176.832 177.584 0.016 0.000 1.335 234 A CA 1.129 53.190 52.037 0.038 0.000 0.924 234 A CB -0.783 18.250 19.000 0.054 0.000 1.105 234 A HN 0.769 9.289 8.150 0.028 -0.353 0.765 235 Q N -2.123 117.668 119.800 -0.014 0.000 2.354 235 Q HA -0.115 4.211 4.340 -0.023 0.000 0.244 235 Q C -0.021 175.972 176.000 -0.011 0.000 0.969 235 Q CA -0.849 54.937 55.803 -0.028 0.000 0.885 235 Q CB 1.270 29.970 28.738 -0.064 0.000 1.241 235 Q HN 0.029 8.238 8.270 -0.028 0.045 0.461 236 R N 2.105 122.600 120.500 -0.009 0.000 2.623 236 R HA -0.402 4.030 4.340 0.014 -0.084 0.271 236 R C 0.014 176.310 176.300 -0.007 0.000 1.043 236 R CA 1.455 57.556 56.100 0.001 0.000 1.083 236 R CB 0.055 30.354 30.300 -0.002 0.000 0.974 236 R HN 0.275 8.537 8.270 -0.013 0.000 0.436 237 N N -0.415 118.285 118.700 -0.000 0.000 2.708 237 N HA -0.395 4.341 4.740 -0.007 0.000 0.251 237 N C -1.231 174.265 175.510 -0.023 0.000 1.123 237 N CA 1.914 54.958 53.050 -0.010 0.000 0.739 237 N CB -0.881 37.600 38.487 -0.009 0.000 1.113 237 N HN 0.555 8.825 8.380 0.011 0.116 0.561 238 K N -2.113 118.270 120.400 -0.029 0.000 3.029 238 K HA 0.465 4.752 4.320 -0.055 0.000 0.169 238 K C -2.504 174.059 176.600 -0.061 0.000 1.090 238 K CA -2.823 53.434 56.287 -0.049 0.000 0.883 238 K CB 1.213 33.683 32.500 -0.050 0.000 1.080 238 K HN -0.665 7.528 8.250 -0.020 0.045 0.613 239 P HA -0.023 4.372 4.420 -0.042 0.000 0.272 239 P C -0.059 177.167 177.300 -0.123 0.000 1.230 239 P CA -0.549 62.509 63.100 -0.071 0.000 0.788 239 P CB 0.801 32.453 31.700 -0.080 0.000 0.949 240 G N -1.904 106.852 108.800 -0.074 0.000 2.614 240 G HA2 0.148 3.932 3.960 -0.292 0.000 0.239 240 G HA3 0.148 4.097 3.960 -0.145 -0.076 0.239 240 G C -1.394 173.343 174.900 -0.271 0.000 1.240 240 G CA -0.506 44.478 45.100 -0.193 0.000 0.842 240 G HN -0.351 8.033 8.290 -0.006 -0.098 0.584 241 V N 1.266 120.779 119.914 -0.670 0.000 2.459 241 V HA 0.467 4.545 4.120 -0.347 -0.166 0.295 241 V C -0.982 174.730 176.094 -0.637 0.000 1.029 241 V CA -1.031 60.857 62.300 -0.686 0.000 0.874 241 V CB 1.965 32.931 31.823 -1.428 0.000 0.985 241 V HN 0.359 8.074 8.190 -0.792 0.000 0.438 242 Y N 5.213 125.393 120.300 -0.199 0.000 2.499 242 Y HA 0.537 5.192 4.550 -0.040 -0.129 0.347 242 Y C -0.161 175.737 175.900 -0.004 0.000 0.987 242 Y CA -1.998 56.057 58.100 -0.075 0.000 1.044 242 Y CB 4.250 42.657 38.460 -0.087 0.000 1.245 242 Y HN 0.846 9.172 8.280 0.077 0.000 0.461 243 T N 5.336 119.998 114.554 0.181 0.000 2.814 243 T HA 0.151 4.756 4.350 0.171 -0.153 0.297 243 T C -0.004 174.806 174.700 0.183 0.000 0.956 243 T CA 1.119 63.320 62.100 0.168 0.000 1.123 243 T CB 0.544 69.476 68.868 0.107 0.000 0.902 243 T HN 0.327 8.668 8.240 0.169 0.000 0.528 244 R N 6.771 127.390 120.500 0.200 0.000 2.491 244 R HA -0.187 4.232 4.340 0.132 0.000 0.283 244 R C -0.456 176.024 176.300 0.299 0.000 1.072 244 R CA 1.170 57.380 56.100 0.182 0.000 1.048 244 R CB 0.331 30.704 30.300 0.122 0.000 0.983 244 R HN 0.313 8.699 8.270 0.194 0.000 0.450 245 L N 4.951 126.319 121.223 0.242 0.000 2.298 245 L HA 0.369 4.976 4.340 0.446 0.000 0.209 245 L C -0.679 176.356 176.870 0.275 0.000 1.084 245 L CA 2.167 57.190 54.840 0.306 0.000 0.816 245 L CB -0.838 41.332 42.059 0.185 0.000 0.967 245 L HN -0.136 8.202 8.230 0.179 0.000 0.460 246 P HA -0.158 4.342 4.420 0.132 0.000 0.216 246 P C 1.182 178.514 177.300 0.053 0.000 1.150 246 P CA 2.525 65.701 63.100 0.127 0.000 0.837 246 P CB -0.460 31.307 31.700 0.111 0.000 0.786 247 L N -6.544 114.645 121.223 -0.057 0.000 2.353 247 L HA -0.089 4.151 4.340 -0.167 0.000 0.220 247 L C 0.764 177.403 176.870 -0.386 0.000 1.133 247 L CA 1.767 56.442 54.840 -0.275 0.000 0.798 247 L CB -1.548 40.227 42.059 -0.474 0.000 0.922 247 L HN -0.139 8.057 8.230 -0.037 0.012 0.445 248 F N -4.447 115.585 119.950 0.136 0.000 2.664 248 F HA 0.245 4.926 4.527 0.258 0.000 0.303 248 F C 0.731 176.681 175.800 0.250 0.000 1.092 248 F CA 0.041 58.182 58.000 0.236 0.000 1.305 248 F CB 0.118 39.283 39.000 0.275 0.000 1.054 248 F HN -0.446 7.780 8.300 0.150 0.163 0.565 249 R N 1.263 121.914 120.500 0.251 0.000 2.091 249 R HA -0.408 4.043 4.340 0.186 0.000 0.238 249 R C 1.238 177.627 176.300 0.148 0.000 1.136 249 R CA 4.152 60.360 56.100 0.179 0.000 0.959 249 R CB -0.442 29.926 30.300 0.113 0.000 0.856 249 R HN -0.717 7.608 8.270 0.176 0.050 0.437 250 D N -2.641 117.848 120.400 0.148 0.000 2.149 250 D HA -0.195 4.484 4.640 0.065 0.000 0.201 250 D C 1.874 178.262 176.300 0.146 0.000 0.972 250 D CA 3.374 57.441 54.000 0.111 0.000 0.835 250 D CB -0.875 39.981 40.800 0.093 0.000 0.966 250 D HN 0.267 8.724 8.370 0.145 0.000 0.476 251 W N 1.039 122.378 121.300 0.065 0.000 2.358 251 W HA -0.290 4.373 4.660 0.004 0.000 0.303 251 W C 1.440 177.953 176.519 -0.010 0.000 1.208 251 W CA 3.431 60.811 57.345 0.057 0.000 1.274 251 W CB 0.123 29.714 29.460 0.218 0.000 1.138 251 W HN -0.508 7.946 8.180 0.457 0.000 0.515 252 I N -1.162 119.399 120.570 -0.014 0.000 2.179 252 I HA -0.709 3.100 4.170 -0.602 0.000 0.242 252 I C 1.991 177.899 176.117 -0.348 0.000 1.088 252 I CA 4.012 65.131 61.300 -0.301 0.000 1.357 252 I CB -0.326 37.636 38.000 -0.063 0.000 1.051 252 I HN -0.107 8.256 8.210 0.255 0.000 0.409 253 K N 0.784 121.079 120.400 -0.175 0.000 2.032 253 K HA -0.282 4.095 4.320 -0.183 -0.166 0.209 253 K C 2.275 178.748 176.600 -0.213 0.000 1.048 253 K CA 2.557 58.745 56.287 -0.165 0.000 0.927 253 K CB -0.539 31.919 32.500 -0.070 0.000 0.712 253 K HN -0.377 7.825 8.250 -0.080 0.000 0.441 254 E N -0.869 119.210 120.200 -0.201 0.000 2.110 254 E HA -0.235 4.030 4.350 -0.141 0.000 0.193 254 E C 2.263 178.688 176.600 -0.292 0.000 0.988 254 E CA 2.617 58.901 56.400 -0.194 0.000 0.804 254 E CB -0.365 29.257 29.700 -0.130 0.000 0.745 254 E HN -0.065 8.195 8.360 -0.166 0.000 0.458 255 N N -4.935 113.471 118.700 -0.489 0.000 2.405 255 N HA 0.036 4.534 4.740 -0.404 0.000 0.175 255 N C 0.708 175.829 175.510 -0.648 0.000 1.051 255 N CA 2.172 54.881 53.050 -0.568 0.000 0.899 255 N CB 1.414 39.386 38.487 -0.858 0.000 1.000 255 N HN -0.478 7.555 8.380 -0.578 0.000 0.451 256 T N -7.820 106.280 114.554 -0.758 0.000 2.969 256 T HA 0.290 3.985 4.350 -1.092 0.000 0.258 256 T C 1.080 175.484 174.700 -0.493 0.000 0.962 256 T CA -0.588 60.880 62.100 -1.054 0.000 0.903 256 T CB 2.796 70.564 68.868 -1.834 0.000 1.177 256 T HN -0.435 7.417 8.240 -0.647 0.000 0.511 257 G N 2.552 111.160 108.800 -0.319 0.000 2.205 257 G HA2 -0.440 3.499 3.960 -0.131 0.000 0.261 257 G HA3 -0.440 3.458 3.960 -0.103 0.000 0.261 257 G C -0.548 174.275 174.900 -0.129 0.000 0.980 257 G CA 1.115 46.119 45.100 -0.159 0.000 0.632 257 G HN -0.153 7.937 8.290 -0.333 0.000 0.533 258 V N 0.000 119.795 119.914 -0.199 0.000 2.409 258 V HA 0.000 4.097 4.120 -0.038 0.000 0.244 258 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 258 V CB 0.000 31.759 31.823 -0.107 0.000 1.184 258 V HN 0.000 7.915 8.190 -0.332 0.076 0.556