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 2k0l_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARIMKAIFVL NAAPKDNTWY AGGKLGWSQY HDTGFYGNGF QNNNGPTRND DATA SEQUENCE QLGAGAFGGY QVNPYLGFEM GYDWLGRMAY KGSVDNGAFK AQGVQLTAKL DATA SEQUENCE GYPITDDLDI YTRLGGMVWR ADSKGNYAST GVSRSEHDTG VSPVFAGGVE DATA SEQUENCE WAVTRDIATR LEYQWVNNIG DAGTVGTRPD NGMLSLGVSY RFGQEDAAPV DATA SEQUENCE VAPAPAPAPE 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 A HA 0.000 4.323 4.320 0.006 0.000 0.244 1 A C 0.000 177.587 177.584 0.006 0.000 1.274 1 A CA 0.000 52.040 52.037 0.006 0.000 0.836 1 A CB 0.000 19.005 19.000 0.008 0.000 0.831 2 R N 4.866 125.368 120.500 0.004 0.000 2.576 2 R HA 0.375 4.718 4.340 0.005 0.000 0.283 2 R C -1.895 174.406 176.300 0.001 0.000 1.493 2 R CA 0.171 56.272 56.100 0.003 0.000 1.170 2 R CB -0.198 30.102 30.300 -0.001 0.000 1.189 2 R HN 0.174 8.446 8.270 0.003 0.000 0.542 3 I N 1.936 122.509 120.570 0.006 0.000 2.582 3 I HA 0.108 4.276 4.170 -0.003 0.000 0.292 3 I C -0.508 175.618 176.117 0.014 0.000 1.066 3 I CA -0.893 60.411 61.300 0.006 0.000 1.053 3 I CB 2.705 40.713 38.000 0.012 0.000 1.241 3 I HN 0.006 8.222 8.210 0.010 0.000 0.421 4 M N 6.366 125.969 119.600 0.006 0.000 2.252 4 M HA -0.076 4.420 4.480 0.027 0.000 0.348 4 M C -0.305 176.038 176.300 0.071 0.000 1.334 4 M CA 0.592 55.907 55.300 0.024 0.000 1.071 4 M CB 0.515 33.097 32.600 -0.030 0.000 1.763 4 M HN 0.120 8.404 8.290 -0.011 0.000 0.452 5 K N 4.073 124.528 120.400 0.091 0.000 3.098 5 K HA 0.233 4.621 4.320 0.113 0.000 0.170 5 K C -1.963 174.700 176.600 0.106 0.000 1.106 5 K CA -0.176 56.169 56.287 0.097 0.000 0.864 5 K CB -0.310 32.227 32.500 0.061 0.000 1.047 5 K HN 0.006 8.305 8.250 0.082 0.000 0.609 6 A N 1.747 124.667 122.820 0.168 0.000 2.121 6 A HA 0.297 4.665 4.320 0.080 0.000 0.215 6 A C 0.089 177.695 177.584 0.037 0.000 1.861 6 A CA 0.687 52.798 52.037 0.124 0.000 0.850 6 A CB 0.404 19.520 19.000 0.194 0.000 1.346 6 A HN 0.272 8.579 8.150 0.262 0.000 0.597 7 I N -7.565 112.975 120.570 -0.050 0.000 3.297 7 I HA 0.288 4.375 4.170 -0.138 0.000 0.321 7 I C -1.464 174.349 176.117 -0.507 0.000 1.503 7 I CA -0.018 61.111 61.300 -0.284 0.000 0.929 7 I CB 1.031 38.804 38.000 -0.378 0.000 1.531 7 I HN -0.399 7.880 8.210 0.114 0.000 0.599 8 F N 3.622 123.581 119.950 0.015 0.000 2.449 8 F HA 0.246 4.782 4.527 0.015 0.000 0.329 8 F C -0.757 175.052 175.800 0.016 0.000 1.245 8 F CA -1.090 56.919 58.000 0.015 0.000 1.193 8 F CB -0.176 38.832 39.000 0.013 0.000 1.425 8 F HN -0.492 7.938 8.300 0.218 0.000 0.544 9 V N 0.240 120.219 119.914 0.107 0.000 2.530 9 V HA 0.199 4.375 4.120 0.093 0.000 0.282 9 V C -0.501 175.643 176.094 0.083 0.000 1.048 9 V CA -0.024 62.327 62.300 0.084 0.000 0.997 9 V CB 0.638 32.489 31.823 0.048 0.000 0.987 9 V HN -0.134 8.079 8.190 0.038 0.000 0.477 10 L N 4.558 125.827 121.223 0.077 0.000 2.577 10 L HA 0.088 4.468 4.340 0.067 0.000 0.225 10 L C 1.639 178.541 176.870 0.053 0.000 1.053 10 L CA 0.735 55.614 54.840 0.065 0.000 0.866 10 L CB 0.034 42.130 42.059 0.061 0.000 1.132 10 L HN 0.498 8.773 8.230 0.074 0.000 0.486 11 N N -0.198 118.532 118.700 0.050 0.000 2.109 11 N HA -0.130 4.637 4.740 0.045 0.000 0.188 11 N C -0.477 175.064 175.510 0.051 0.000 1.034 11 N CA 1.257 54.336 53.050 0.047 0.000 0.846 11 N CB 0.651 39.163 38.487 0.042 0.000 1.010 11 N HN -0.053 8.358 8.380 0.052 0.000 0.425 12 A N -2.037 120.813 122.820 0.051 0.000 2.488 12 A HA 0.229 4.586 4.320 0.061 0.000 0.298 12 A C -1.785 175.828 177.584 0.049 0.000 1.044 12 A CA -0.810 51.261 52.037 0.056 0.000 0.693 12 A CB 1.937 20.973 19.000 0.059 0.000 1.272 12 A HN -0.537 7.642 8.150 0.049 0.000 0.402 13 A N 1.514 124.364 122.820 0.050 0.000 2.409 13 A HA 0.118 4.456 4.320 0.031 0.000 0.246 13 A C -0.794 176.811 177.584 0.035 0.000 1.099 13 A CA -1.530 50.530 52.037 0.038 0.000 0.789 13 A CB -0.765 18.259 19.000 0.039 0.000 1.053 13 A HN 0.066 8.250 8.150 0.057 0.000 0.503 14 P HA 0.061 4.494 4.420 0.021 0.000 0.231 14 P C -1.659 175.658 177.300 0.028 0.000 1.756 14 P CA -0.076 63.035 63.100 0.018 0.000 0.990 14 P CB -1.885 29.815 31.700 -0.001 0.000 1.973 15 K N 0.267 120.691 120.400 0.041 0.000 2.565 15 K HA 0.219 4.566 4.320 0.045 0.000 0.251 15 K C -0.929 175.710 176.600 0.064 0.000 0.956 15 K CA -0.575 55.742 56.287 0.051 0.000 0.809 15 K CB 3.167 35.700 32.500 0.054 0.000 1.267 15 K HN -0.170 8.034 8.250 0.045 0.073 0.438 16 D N 4.274 124.714 120.400 0.066 0.000 2.870 16 D HA 0.123 4.810 4.640 0.079 0.000 0.241 16 D C -0.733 175.621 176.300 0.090 0.000 1.234 16 D CA -0.082 53.964 54.000 0.077 0.000 0.844 16 D CB -0.874 39.968 40.800 0.071 0.000 1.051 16 D HN 0.309 8.714 8.370 0.059 0.000 0.469 17 N N 0.268 119.028 118.700 0.099 0.000 2.955 17 N HA 0.324 5.342 4.740 0.119 -0.206 0.242 17 N C -0.560 175.039 175.510 0.149 0.000 1.123 17 N CA -0.645 52.475 53.050 0.118 0.000 0.949 17 N CB 0.350 38.900 38.487 0.105 0.000 1.214 17 N HN -0.580 7.750 8.380 0.093 0.106 0.504 18 T N 2.146 116.793 114.554 0.155 0.000 2.952 18 T HA 0.235 4.727 4.350 0.237 0.000 0.286 18 T C -2.085 172.725 174.700 0.184 0.000 1.024 18 T CA -0.669 61.552 62.100 0.201 0.000 1.029 18 T CB 1.811 70.808 68.868 0.215 0.000 1.094 18 T HN -0.371 7.947 8.240 0.129 0.000 0.515 19 W N 3.844 125.144 121.300 -0.001 0.000 3.211 19 W HA 0.474 5.046 4.660 -0.392 -0.147 0.335 19 W C -3.104 173.383 176.519 -0.054 0.000 1.113 19 W CA -1.017 56.216 57.345 -0.188 0.000 1.235 19 W CB 3.602 32.873 29.460 -0.315 0.000 1.365 19 W HN 0.109 8.521 8.180 0.388 0.000 0.476 20 Y N 1.275 121.589 120.300 0.023 0.000 2.457 20 Y HA 0.826 5.596 4.550 0.129 -0.143 0.343 20 Y C -2.757 173.074 175.900 -0.116 0.000 0.994 20 Y CA -2.718 55.393 58.100 0.019 0.000 1.031 20 Y CB 2.603 41.039 38.460 -0.039 0.000 1.246 20 Y HN 0.689 8.179 8.280 -1.317 0.000 0.449 21 A N 0.484 123.269 122.820 -0.057 0.000 2.435 21 A HA 0.863 5.352 4.320 0.086 -0.118 0.304 21 A C -2.086 175.454 177.584 -0.073 0.000 1.064 21 A CA -1.848 50.157 52.037 -0.053 0.000 0.727 21 A CB 3.535 22.555 19.000 0.032 0.000 1.284 21 A HN 0.653 8.612 8.150 -0.319 0.000 0.415 22 G N -1.032 107.868 108.800 0.167 0.000 2.570 22 G HA2 0.668 4.822 3.960 0.314 0.000 0.310 22 G HA3 0.668 4.811 3.960 0.207 -0.058 0.310 22 G C -2.657 172.410 174.900 0.278 0.000 1.266 22 G CA 0.257 45.502 45.100 0.242 0.000 0.825 22 G HN 0.804 9.226 8.290 0.220 0.000 0.483 23 G N -2.672 106.272 108.800 0.239 0.000 2.753 23 G HA2 0.770 5.037 3.960 0.294 0.000 0.297 23 G HA3 0.770 4.876 3.960 0.243 0.000 0.297 23 G C -2.858 172.136 174.900 0.155 0.000 1.430 23 G CA 0.194 45.436 45.100 0.236 0.000 1.040 23 G HN 0.145 8.458 8.290 0.212 0.105 0.530 24 K N 1.867 122.338 120.400 0.119 0.000 2.328 24 K HA 0.785 5.215 4.320 0.057 -0.076 0.246 24 K C -2.527 174.123 176.600 0.083 0.000 0.955 24 K CA -2.182 54.133 56.287 0.046 0.000 0.817 24 K CB 4.148 36.590 32.500 -0.096 0.000 1.208 24 K HN 1.074 9.319 8.250 0.171 0.107 0.432 25 L N 1.527 122.793 121.223 0.072 0.000 2.386 25 L HA 0.913 5.491 4.340 0.087 -0.186 0.271 25 L C -1.710 175.211 176.870 0.086 0.000 0.993 25 L CA -1.218 53.670 54.840 0.080 0.000 0.819 25 L CB 4.033 46.138 42.059 0.076 0.000 1.294 25 L HN 0.821 8.966 8.230 0.059 0.121 0.414 26 G N 2.828 111.695 108.800 0.112 0.000 2.539 26 G HA2 0.422 4.534 3.960 0.252 0.000 0.138 26 G HA3 0.422 4.475 3.960 0.155 0.000 0.138 26 G C -2.578 172.510 174.900 0.313 0.000 1.148 26 G CA 0.974 46.199 45.100 0.209 0.000 1.057 26 G HN 0.508 8.850 8.290 0.087 0.000 0.511 27 W N 0.089 121.354 121.300 -0.059 0.000 2.529 27 W HA 0.457 5.084 4.660 -0.055 0.000 0.321 27 W C -0.418 176.088 176.519 -0.022 0.000 1.047 27 W CA -0.305 57.006 57.345 -0.056 0.000 1.216 27 W CB 1.466 30.871 29.460 -0.092 0.000 1.357 27 W HN -0.375 8.012 8.180 0.344 0.000 0.489 28 S N 1.733 117.510 115.700 0.129 0.000 2.452 28 S HA -0.025 4.518 4.470 0.121 0.000 0.225 28 S C -0.320 174.357 174.600 0.128 0.000 1.057 28 S CA 0.813 59.074 58.200 0.103 0.000 0.949 28 S CB 0.705 63.926 63.200 0.035 0.000 0.836 28 S HN 0.283 8.603 8.310 0.016 0.000 0.518 29 Q N -1.218 118.656 119.800 0.123 0.000 2.451 29 Q HA 0.345 4.787 4.340 0.170 0.000 0.281 29 Q C -2.099 174.091 176.000 0.317 0.000 1.099 29 Q CA -0.307 55.596 55.803 0.167 0.000 0.806 29 Q CB 3.500 32.298 28.738 0.099 0.000 1.419 29 Q HN -0.432 7.873 8.270 0.058 0.000 0.427 30 Y N -0.390 119.993 120.300 0.139 0.000 2.598 30 Y HA 0.108 4.778 4.550 0.200 0.000 0.333 30 Y C -2.102 173.877 175.900 0.132 0.000 1.196 30 Y CA 0.089 58.311 58.100 0.204 0.000 1.145 30 Y CB 2.398 41.080 38.460 0.370 0.000 1.349 30 Y HN 0.025 8.442 8.280 0.227 0.000 0.469 31 H N 5.890 124.640 119.070 -0.532 0.000 2.488 31 H HA 0.238 4.615 4.556 -0.299 0.000 0.322 31 H C -0.969 173.885 175.328 -0.790 0.000 1.078 31 H CA 0.222 55.977 56.048 -0.488 0.000 1.260 31 H CB 0.993 30.616 29.762 -0.232 0.000 1.425 31 H HN 0.151 8.232 8.280 -0.332 0.000 0.471 32 D N 3.571 123.678 120.400 -0.488 0.000 2.412 32 D HA 0.061 4.500 4.640 -0.335 0.000 0.298 32 D C -0.578 175.536 176.300 -0.309 0.000 1.136 32 D CA 0.490 54.274 54.000 -0.360 0.000 0.988 32 D CB 1.206 41.843 40.800 -0.272 0.000 1.712 32 D HN 0.369 8.416 8.370 -0.537 0.000 0.503 33 T N 1.774 116.121 114.554 -0.346 0.000 2.934 33 T HA 0.197 4.316 4.350 -0.385 0.000 0.283 33 T C -0.426 174.034 174.700 -0.400 0.000 1.005 33 T CA 0.591 62.478 62.100 -0.355 0.000 1.041 33 T CB 1.219 69.933 68.868 -0.257 0.000 1.042 33 T HN -0.313 7.702 8.240 -0.374 0.000 0.505 34 G N 0.460 108.989 108.800 -0.450 0.000 2.705 34 G HA2 -0.248 3.547 3.960 -0.274 0.000 0.686 34 G HA3 -0.248 3.562 3.960 -0.249 0.000 0.686 34 G C -1.678 172.915 174.900 -0.513 0.000 1.285 34 G CA -0.519 44.364 45.100 -0.363 0.000 0.800 34 G HN -0.150 7.863 8.290 -0.462 0.000 0.611 35 F N -0.559 119.313 119.950 -0.129 0.000 2.824 35 F HA 0.260 4.752 4.527 -0.057 0.000 0.330 35 F C -0.831 174.826 175.800 -0.239 0.000 1.175 35 F CA -0.636 57.300 58.000 -0.108 0.000 0.974 35 F CB 1.967 40.948 39.000 -0.031 0.000 1.430 35 F HN -0.124 8.104 8.300 -0.120 0.000 0.507 36 Y N -0.557 119.907 120.300 0.273 0.000 2.553 36 Y HA 0.214 4.837 4.550 0.122 0.000 0.347 36 Y C 0.258 176.201 175.900 0.073 0.000 1.019 36 Y CA -0.664 57.515 58.100 0.131 0.000 1.032 36 Y CB 1.895 40.411 38.460 0.093 0.000 1.284 36 Y HN -0.352 8.172 8.280 0.407 0.000 0.466 37 G N 1.487 110.460 108.800 0.289 0.000 3.949 37 G HA2 -0.000 4.017 3.960 0.095 0.000 0.295 37 G HA3 -0.000 4.033 3.960 0.122 0.000 0.295 37 G C -1.653 173.307 174.900 0.099 0.000 1.286 37 G CA -0.052 45.133 45.100 0.140 0.000 1.171 37 G HN 0.182 8.709 8.290 0.394 0.000 0.586 38 N N -0.318 118.443 118.700 0.101 0.000 2.405 38 N HA 0.137 4.910 4.740 0.055 0.000 0.299 38 N C 0.170 175.713 175.510 0.054 0.000 1.075 38 N CA -0.742 52.346 53.050 0.063 0.000 0.884 38 N CB 1.321 39.823 38.487 0.025 0.000 1.194 38 N HN -0.638 7.745 8.380 0.152 0.088 0.491 39 G N 0.834 109.660 108.800 0.044 0.000 2.418 39 G HA2 -0.226 3.697 3.960 -0.061 0.000 0.217 39 G HA3 -0.226 3.691 3.960 -0.072 0.000 0.217 39 G C 0.297 175.140 174.900 -0.096 0.000 1.158 39 G CA 0.721 45.795 45.100 -0.043 0.000 0.771 39 G HN 0.320 8.649 8.290 0.066 0.000 0.545 40 F N 1.202 121.141 119.950 -0.019 0.000 2.462 40 F HA -0.053 4.467 4.527 -0.013 0.000 0.360 40 F C 0.166 175.957 175.800 -0.014 0.000 1.134 40 F CA 0.770 58.760 58.000 -0.018 0.000 1.148 40 F CB -0.096 38.889 39.000 -0.025 0.000 1.147 40 F HN -0.122 8.353 8.300 0.292 0.000 0.550 41 Q N 4.419 124.281 119.800 0.105 0.000 2.385 41 Q HA -0.054 4.345 4.340 0.099 0.000 0.195 41 Q C -0.180 175.877 176.000 0.096 0.000 0.977 41 Q CA 0.562 56.417 55.803 0.087 0.000 0.856 41 Q CB 0.838 29.602 28.738 0.042 0.000 0.986 41 Q HN 0.249 8.533 8.270 0.024 0.000 0.558 42 N N -1.250 117.499 118.700 0.082 0.000 2.609 42 N HA 0.093 4.881 4.740 0.079 0.000 0.234 42 N C -0.010 175.565 175.510 0.108 0.000 1.001 42 N CA -0.262 52.837 53.050 0.081 0.000 0.926 42 N CB -0.328 38.195 38.487 0.059 0.000 1.130 42 N HN 0.042 8.455 8.380 0.055 0.000 0.510 43 N N 4.530 123.307 118.700 0.127 0.000 2.188 43 N HA -0.149 4.730 4.740 0.231 0.000 0.184 43 N C 0.344 175.908 175.510 0.090 0.000 1.018 43 N CA 1.267 54.403 53.050 0.144 0.000 0.858 43 N CB 0.238 38.779 38.487 0.090 0.000 0.989 43 N HN 0.348 8.792 8.380 0.107 0.000 0.426 44 N N -0.769 117.969 118.700 0.064 0.000 2.225 44 N HA 0.129 4.898 4.740 0.049 0.000 0.298 44 N C -1.298 174.239 175.510 0.045 0.000 1.076 44 N CA 0.064 53.142 53.050 0.048 0.000 0.792 44 N CB 2.837 41.345 38.487 0.036 0.000 1.498 44 N HN -0.359 8.059 8.380 0.063 0.000 0.474 45 G N 0.698 109.522 108.800 0.039 0.000 4.713 45 G HA2 0.328 4.314 3.960 0.044 0.000 0.318 45 G HA3 0.328 4.311 3.960 0.037 0.000 0.318 45 G C -1.353 173.566 174.900 0.032 0.000 1.435 45 G CA -0.655 44.468 45.100 0.038 0.000 0.965 45 G HN 0.101 8.413 8.290 0.036 0.000 0.542 46 P HA 0.128 4.561 4.420 0.021 0.000 0.278 46 P C -0.476 176.839 177.300 0.025 0.000 1.268 46 P CA 0.299 63.414 63.100 0.024 0.000 0.813 46 P CB 0.940 32.652 31.700 0.020 0.000 1.180 47 T N -2.131 112.435 114.554 0.021 0.000 3.339 47 T HA 0.093 4.458 4.350 0.026 0.000 0.292 47 T C -1.562 173.149 174.700 0.019 0.000 1.012 47 T CA 0.025 62.138 62.100 0.021 0.000 0.937 47 T CB 0.974 69.853 68.868 0.018 0.000 1.164 47 T HN -0.153 8.097 8.240 0.017 0.000 0.509 48 R N 1.251 121.761 120.500 0.016 0.000 2.518 48 R HA 0.159 4.507 4.340 0.013 0.000 0.296 48 R C -0.931 175.372 176.300 0.005 0.000 1.080 48 R CA -0.261 55.845 56.100 0.010 0.000 0.922 48 R CB 1.449 31.751 30.300 0.003 0.000 1.184 48 R HN -0.421 7.800 8.270 0.017 0.060 0.445 49 N N 5.074 123.781 118.700 0.011 0.000 3.209 49 N HA 0.099 4.834 4.740 -0.008 0.000 0.309 49 N C -1.357 174.132 175.510 -0.036 0.000 1.384 49 N CA -0.398 52.653 53.050 0.002 0.000 1.173 49 N CB 0.020 38.537 38.487 0.049 0.000 1.460 49 N HN 0.282 8.674 8.380 0.020 0.000 0.534 50 D N 2.150 122.516 120.400 -0.057 0.000 2.455 50 D HA -0.047 4.553 4.640 -0.066 0.000 0.234 50 D C -0.891 175.308 176.300 -0.169 0.000 1.224 50 D CA 0.365 54.313 54.000 -0.086 0.000 0.999 50 D CB -0.586 40.173 40.800 -0.068 0.000 1.072 50 D HN -0.282 7.994 8.370 -0.043 0.067 0.514 51 Q N 2.402 122.049 119.800 -0.255 0.000 2.464 51 Q HA 0.268 4.374 4.340 -0.390 0.000 0.256 51 Q C -1.751 173.947 176.000 -0.504 0.000 1.020 51 Q CA -0.950 54.564 55.803 -0.482 0.000 0.716 51 Q CB 1.395 29.612 28.738 -0.867 0.000 1.230 51 Q HN -0.279 7.879 8.270 -0.186 0.000 0.494 52 L N 3.236 124.260 121.223 -0.332 0.000 2.406 52 L HA 0.277 4.484 4.340 -0.221 0.000 0.272 52 L C -0.933 175.809 176.870 -0.212 0.000 0.980 52 L CA -0.711 53.993 54.840 -0.227 0.000 0.831 52 L CB 2.575 44.557 42.059 -0.127 0.000 1.253 52 L HN 0.209 8.264 8.230 -0.292 0.000 0.406 53 G N 1.821 110.531 108.800 -0.151 0.000 2.416 53 G HA2 0.551 4.537 3.960 -0.159 0.000 0.324 53 G HA3 0.551 4.461 3.960 -0.082 0.000 0.324 53 G C -2.679 172.211 174.900 -0.017 0.000 1.194 53 G CA -1.147 43.891 45.100 -0.105 0.000 0.922 53 G HN 0.726 8.947 8.290 -0.114 0.000 0.467 54 A N 3.364 126.181 122.820 -0.005 0.000 2.306 54 A HA 0.706 5.098 4.320 0.119 0.000 0.314 54 A C -1.923 175.804 177.584 0.239 0.000 1.164 54 A CA -1.950 50.162 52.037 0.126 0.000 0.822 54 A CB 2.764 21.866 19.000 0.171 0.000 1.130 54 A HN 0.471 8.571 8.150 -0.084 0.000 0.496 55 G N -0.802 108.165 108.800 0.278 0.000 2.733 55 G HA2 0.460 4.910 3.960 0.396 0.000 0.289 55 G HA3 0.460 4.634 3.960 0.356 0.000 0.289 55 G C -3.118 172.040 174.900 0.431 0.000 1.473 55 G CA -0.410 44.910 45.100 0.366 0.000 1.123 55 G HN 0.358 8.793 8.290 0.241 0.000 0.544 56 A N 5.990 129.102 122.820 0.486 0.000 2.289 56 A HA 0.618 5.299 4.320 0.419 -0.110 0.298 56 A C -2.149 175.775 177.584 0.567 0.000 1.208 56 A CA -1.741 50.588 52.037 0.486 0.000 0.845 56 A CB 1.747 20.996 19.000 0.415 0.000 1.125 56 A HN 0.475 8.820 8.150 0.489 0.099 0.517 57 F N 2.983 123.053 119.950 0.200 0.000 2.522 57 F HA 0.563 5.294 4.527 0.090 -0.149 0.324 57 F C -0.706 175.155 175.800 0.102 0.000 1.077 57 F CA -2.002 56.071 58.000 0.121 0.000 0.944 57 F CB 4.866 43.919 39.000 0.088 0.000 1.175 57 F HN 0.383 8.891 8.300 0.529 0.110 0.468 58 G N 0.733 109.569 108.800 0.060 0.000 2.739 58 G HA2 0.584 4.682 3.960 0.008 0.000 0.291 58 G HA3 0.584 4.545 3.960 0.001 0.000 0.291 58 G C -2.720 172.006 174.900 -0.291 0.000 1.478 58 G CA -0.512 44.559 45.100 -0.048 0.000 1.062 58 G HN 0.548 8.756 8.290 -0.137 0.000 0.532 59 G N 2.877 111.359 108.800 -0.531 0.000 2.482 59 G HA2 1.097 4.937 3.960 -0.619 0.000 0.317 59 G HA3 1.097 4.909 3.960 -0.521 -0.165 0.317 59 G C -3.120 170.942 174.900 -1.397 0.000 1.241 59 G CA -1.877 42.740 45.100 -0.805 0.000 0.967 59 G HN 0.717 8.717 8.290 -0.482 0.000 0.482 60 Y N -2.618 117.069 120.300 -1.020 0.000 2.399 60 Y HA 0.690 4.849 4.550 -0.890 -0.143 0.327 60 Y C -2.798 172.897 175.900 -0.342 0.000 1.111 60 Y CA -2.133 55.477 58.100 -0.818 0.000 1.047 60 Y CB 1.505 39.397 38.460 -0.947 0.000 1.259 60 Y HN 0.645 8.275 8.280 -1.083 0.000 0.434 61 Q N 3.094 122.816 119.800 -0.129 0.000 2.241 61 Q HA 0.232 4.487 4.340 -0.143 0.000 0.254 61 Q C -0.687 175.359 176.000 0.076 0.000 0.917 61 Q CA -0.264 55.510 55.803 -0.048 0.000 0.919 61 Q CB 2.542 31.287 28.738 0.011 0.000 1.237 61 Q HN -0.029 8.174 8.270 -0.111 0.000 0.434 62 V N 5.007 124.961 119.914 0.068 0.000 3.307 62 V HA 0.012 4.213 4.120 0.135 0.000 0.244 62 V C -0.060 176.079 176.094 0.074 0.000 1.196 62 V CA 0.198 62.564 62.300 0.110 0.000 1.132 62 V CB 0.928 32.842 31.823 0.151 0.000 0.875 62 V HN 0.292 8.480 8.190 -0.003 0.000 0.468 63 N N -1.779 116.953 118.700 0.052 0.000 2.284 63 N HA 0.318 5.097 4.740 0.065 0.000 0.289 63 N C -2.539 173.017 175.510 0.077 0.000 1.179 63 N CA -1.974 51.115 53.050 0.065 0.000 0.774 63 N CB 2.347 40.876 38.487 0.071 0.000 1.548 63 N HN -0.792 7.604 8.380 0.026 0.000 0.473 64 P HA 0.104 4.560 4.420 0.059 0.000 0.235 64 P C -1.913 175.392 177.300 0.008 0.000 1.720 64 P CA 1.373 64.497 63.100 0.040 0.000 1.003 64 P CB -1.409 30.294 31.700 0.005 0.000 1.968 65 Y N 0.375 120.662 120.300 -0.022 0.000 2.840 65 Y HA 0.044 4.564 4.550 -0.049 0.000 0.252 65 Y C -1.706 174.152 175.900 -0.069 0.000 1.150 65 Y CA 0.830 58.900 58.100 -0.051 0.000 1.193 65 Y CB 2.854 41.275 38.460 -0.066 0.000 1.386 65 Y HN 0.482 8.773 8.280 0.127 0.066 0.483 66 L N -6.813 114.471 121.223 0.102 0.000 2.869 66 L HA 0.394 4.741 4.340 0.011 0.000 0.265 66 L C -2.388 174.391 176.870 -0.152 0.000 1.011 66 L CA 0.053 54.874 54.840 -0.033 0.000 0.913 66 L CB 2.491 44.486 42.059 -0.107 0.000 1.490 66 L HN -0.724 7.558 8.230 0.086 0.000 0.410 67 G N -3.575 105.097 108.800 -0.214 0.000 2.533 67 G HA2 0.687 4.462 3.960 -0.367 0.000 0.304 67 G HA3 0.687 4.482 3.960 -0.274 0.000 0.304 67 G C -2.456 172.135 174.900 -0.515 0.000 1.263 67 G CA -1.393 43.498 45.100 -0.348 0.000 0.964 67 G HN 0.106 8.301 8.290 -0.158 0.000 0.479 68 F N -0.647 118.833 119.950 -0.783 0.000 2.399 68 F HA 0.133 4.371 4.527 -0.481 0.000 0.342 68 F C -1.457 173.856 175.800 -0.812 0.000 1.106 68 F CA -0.013 57.484 58.000 -0.837 0.000 1.196 68 F CB 2.175 40.515 39.000 -1.101 0.000 1.163 68 F HN 0.383 8.148 8.300 -0.891 0.000 0.547 69 E N 3.574 123.655 120.200 -0.197 0.000 2.216 69 E HA 0.782 5.161 4.350 -0.315 -0.218 0.260 69 E C -1.345 175.095 176.600 -0.267 0.000 0.880 69 E CA -1.557 54.699 56.400 -0.240 0.000 0.765 69 E CB 3.152 32.768 29.700 -0.139 0.000 1.174 69 E HN 1.132 9.391 8.360 -0.002 0.100 0.417 70 M N 6.591 126.004 119.600 -0.312 0.000 2.149 70 M HA 0.590 5.013 4.480 -0.379 -0.171 0.342 70 M C -0.753 175.180 176.300 -0.611 0.000 1.068 70 M CA -1.002 54.063 55.300 -0.391 0.000 0.991 70 M CB 2.280 34.724 32.600 -0.260 0.000 1.596 70 M HN 1.014 9.024 8.290 -0.278 0.114 0.439 71 G N 1.314 109.663 108.800 -0.751 0.000 2.471 71 G HA2 0.687 4.387 3.960 -0.760 0.000 0.332 71 G HA3 0.687 4.110 3.960 -0.895 0.000 0.332 71 G C -2.414 172.132 174.900 -0.589 0.000 1.176 71 G CA -1.612 43.020 45.100 -0.780 0.000 0.949 71 G HN 0.295 8.090 8.290 -0.610 0.129 0.488 72 Y N -1.557 118.771 120.300 0.045 0.000 2.322 72 Y HA 0.449 5.275 4.550 0.100 -0.217 0.324 72 Y C -1.394 174.634 175.900 0.213 0.000 1.027 72 Y CA -1.501 56.673 58.100 0.123 0.000 1.179 72 Y CB 3.264 41.790 38.460 0.109 0.000 1.136 72 Y HN 0.415 8.728 8.280 0.178 0.074 0.449 73 D N 5.237 125.847 120.400 0.349 0.000 2.339 73 D HA 0.128 4.945 4.640 0.296 0.000 0.241 73 D C -1.798 174.720 176.300 0.362 0.000 1.183 73 D CA 0.966 55.147 54.000 0.302 0.000 0.859 73 D CB 1.126 42.057 40.800 0.219 0.000 1.067 73 D HN 0.156 8.573 8.370 0.318 0.143 0.484 74 W N 7.856 129.219 121.300 0.105 0.000 3.032 74 W HA 0.387 5.076 4.660 0.049 0.000 0.335 74 W C -2.246 174.286 176.519 0.022 0.000 1.154 74 W CA -0.424 56.959 57.345 0.062 0.000 1.204 74 W CB 3.897 33.403 29.460 0.076 0.000 1.416 74 W HN 0.699 9.096 8.180 0.361 0.000 0.521 75 L N 1.900 122.730 121.223 -0.656 0.000 0.588 75 L HA -0.353 3.573 4.340 -0.690 0.000 0.356 75 L C -0.409 176.271 176.870 -0.316 0.000 0.998 75 L CA 1.721 56.167 54.840 -0.657 0.000 1.223 75 L CB 0.372 41.953 42.059 -0.797 0.000 0.010 75 L HN 0.392 8.161 8.230 -0.769 0.000 0.092 76 G N -0.201 108.426 108.800 -0.288 0.000 3.751 76 G HA2 -0.105 3.838 3.960 -0.236 0.000 0.216 76 G HA3 -0.105 3.733 3.960 -0.204 0.000 0.216 76 G C -1.744 173.029 174.900 -0.213 0.000 0.911 76 G CA -0.032 44.930 45.100 -0.230 0.000 0.869 76 G HN 0.094 8.191 8.290 -0.320 0.000 0.462 77 R N 0.239 120.630 120.500 -0.182 0.000 2.664 77 R HA 0.305 4.564 4.340 -0.135 0.000 0.286 77 R C -0.934 175.300 176.300 -0.110 0.000 0.967 77 R CA -0.837 55.186 56.100 -0.128 0.000 0.933 77 R CB 1.535 31.787 30.300 -0.079 0.000 1.146 77 R HN -0.304 7.848 8.270 -0.196 0.000 0.468 78 M N 3.752 123.305 119.600 -0.079 0.000 2.055 78 M HA 0.123 4.564 4.480 -0.066 0.000 0.346 78 M C -1.347 174.955 176.300 0.004 0.000 1.074 78 M CA -0.695 54.574 55.300 -0.052 0.000 1.009 78 M CB -0.565 31.997 32.600 -0.063 0.000 1.423 78 M HN 0.296 8.540 8.290 -0.077 0.000 0.410 79 A N 5.326 128.181 122.820 0.057 0.000 2.475 79 A HA 0.112 4.469 4.320 0.061 0.000 0.300 79 A C -2.136 175.570 177.584 0.204 0.000 1.089 79 A CA 1.049 53.142 52.037 0.092 0.000 0.948 79 A CB 1.150 20.195 19.000 0.074 0.000 1.508 79 A HN 0.340 8.528 8.150 0.064 0.000 0.385 80 Y N 0.417 120.699 120.300 -0.031 0.000 2.517 80 Y HA 0.141 4.673 4.550 -0.031 0.000 0.328 80 Y C -1.231 174.652 175.900 -0.028 0.000 1.130 80 Y CA 0.617 58.700 58.100 -0.029 0.000 1.280 80 Y CB 0.114 38.559 38.460 -0.025 0.000 1.101 80 Y HN -0.044 8.322 8.280 0.143 0.000 0.610 81 K N 3.358 123.714 120.400 -0.073 0.000 2.707 81 K HA 0.227 4.517 4.320 -0.050 0.000 0.283 81 K C -1.240 175.299 176.600 -0.101 0.000 1.105 81 K CA 0.484 56.735 56.287 -0.059 0.000 1.018 81 K CB 0.615 33.109 32.500 -0.010 0.000 1.315 81 K HN 0.155 8.328 8.250 -0.129 0.000 0.495 82 G N 1.897 110.621 108.800 -0.126 0.000 2.601 82 G HA2 0.153 4.058 3.960 -0.092 0.000 0.291 82 G HA3 0.153 4.019 3.960 -0.155 0.000 0.291 82 G C -0.766 174.070 174.900 -0.106 0.000 1.456 82 G CA -0.022 45.005 45.100 -0.122 0.000 0.804 82 G HN -0.306 7.905 8.290 -0.133 0.000 0.499 83 S N -0.695 114.955 115.700 -0.084 0.000 2.355 83 S HA -0.063 4.373 4.470 -0.057 0.000 0.222 83 S C -0.571 173.984 174.600 -0.076 0.000 1.031 83 S CA 1.078 59.238 58.200 -0.066 0.000 0.993 83 S CB 0.416 63.586 63.200 -0.051 0.000 0.859 83 S HN -0.069 8.193 8.310 -0.080 0.000 0.453 84 V N -2.254 117.605 119.914 -0.091 0.000 2.668 84 V HA 0.152 4.220 4.120 -0.087 0.000 0.304 84 V C -1.173 174.844 176.094 -0.129 0.000 1.071 84 V CA -0.663 61.581 62.300 -0.092 0.000 0.894 84 V CB 1.368 33.152 31.823 -0.064 0.000 1.008 84 V HN -0.731 7.401 8.190 -0.097 0.000 0.425 85 D N 4.041 124.357 120.400 -0.141 0.000 2.621 85 D HA 0.224 4.727 4.640 -0.228 0.000 0.255 85 D C -0.588 175.648 176.300 -0.106 0.000 1.122 85 D CA -0.785 53.105 54.000 -0.183 0.000 1.096 85 D CB 2.163 42.816 40.800 -0.245 0.000 1.282 85 D HN 0.088 8.387 8.370 -0.119 0.000 0.619 86 N N -0.576 118.074 118.700 -0.084 0.000 2.319 86 N HA 0.135 4.877 4.740 0.004 0.000 0.305 86 N C -0.323 175.225 175.510 0.062 0.000 1.103 86 N CA -0.118 52.941 53.050 0.014 0.000 0.815 86 N CB 1.736 40.271 38.487 0.080 0.000 1.288 86 N HN 0.134 8.425 8.380 -0.148 0.000 0.493 87 G N 1.067 109.903 108.800 0.061 0.000 5.084 87 G HA2 0.290 4.320 3.960 0.116 0.000 0.241 87 G HA3 0.290 4.284 3.960 0.057 0.000 0.241 87 G C -1.064 173.862 174.900 0.043 0.000 0.918 87 G CA 0.444 45.588 45.100 0.074 0.000 0.754 87 G HN 0.152 8.467 8.290 0.042 0.000 0.478 88 A N 2.018 124.870 122.820 0.053 0.000 1.835 88 A HA -0.212 4.052 4.320 -0.093 0.000 0.215 88 A C -0.208 177.286 177.584 -0.151 0.000 1.199 88 A CA 1.915 53.929 52.037 -0.037 0.000 0.615 88 A CB 0.337 19.363 19.000 0.044 0.000 0.838 88 A HN -0.174 8.340 8.150 0.098 -0.305 0.444 89 F N -1.667 118.324 119.950 0.068 0.000 2.480 89 F HA 0.125 4.688 4.527 0.060 0.000 0.329 89 F C -0.958 174.895 175.800 0.088 0.000 1.091 89 F CA -0.666 57.376 58.000 0.069 0.000 0.972 89 F CB 2.330 41.369 39.000 0.065 0.000 1.150 89 F HN -0.294 8.177 8.300 0.286 0.000 0.467 90 K N 3.106 123.682 120.400 0.294 0.000 2.182 90 K HA 0.198 4.648 4.320 0.216 0.000 0.262 90 K C -1.345 175.392 176.600 0.229 0.000 0.957 90 K CA -0.722 55.698 56.287 0.221 0.000 0.842 90 K CB 1.919 34.509 32.500 0.149 0.000 1.099 90 K HN 0.166 8.603 8.250 0.311 0.000 0.438 91 A N 3.531 126.479 122.820 0.214 0.000 2.325 91 A HA 0.189 4.634 4.320 0.208 0.000 0.333 91 A C -1.710 176.007 177.584 0.222 0.000 1.155 91 A CA -0.215 51.948 52.037 0.209 0.000 0.814 91 A CB 1.524 20.635 19.000 0.185 0.000 1.206 91 A HN 0.273 8.553 8.150 0.216 0.000 0.482 92 Q N -0.302 119.636 119.800 0.231 0.000 2.327 92 Q HA 0.130 4.638 4.340 0.281 0.000 0.265 92 Q C -0.922 175.255 176.000 0.296 0.000 0.993 92 Q CA -0.270 55.681 55.803 0.246 0.000 0.885 92 Q CB 4.020 32.859 28.738 0.168 0.000 1.379 92 Q HN -0.023 8.390 8.270 0.238 0.000 0.408 93 G N 1.959 110.956 108.800 0.328 0.000 2.372 93 G HA2 0.436 4.659 3.960 0.437 0.000 0.283 93 G HA3 0.436 4.604 3.960 0.347 0.000 0.283 93 G C -1.399 173.689 174.900 0.313 0.000 1.177 93 G CA -0.523 44.795 45.100 0.363 0.000 0.842 93 G HN 0.337 8.821 8.290 0.323 0.000 0.503 94 V N 0.550 120.589 119.914 0.208 0.000 2.444 94 V HA 0.575 4.778 4.120 -0.092 -0.138 0.294 94 V C -1.903 174.150 176.094 -0.068 0.000 1.022 94 V CA -2.500 59.812 62.300 0.020 0.000 0.850 94 V CB 1.922 33.772 31.823 0.046 0.000 0.992 94 V HN 0.678 8.898 8.190 0.231 0.109 0.426 95 Q N 6.989 126.659 119.800 -0.218 0.000 2.274 95 Q HA 0.505 4.883 4.340 -0.084 -0.088 0.260 95 Q C -1.818 174.036 176.000 -0.242 0.000 0.974 95 Q CA -1.852 53.843 55.803 -0.181 0.000 0.876 95 Q CB 3.880 32.503 28.738 -0.192 0.000 1.297 95 Q HN 1.062 8.974 8.270 -0.397 0.120 0.446 96 L N 7.540 128.673 121.223 -0.150 0.000 2.372 96 L HA 0.512 4.743 4.340 -0.181 0.000 0.273 96 L C -2.372 174.462 176.870 -0.060 0.000 0.989 96 L CA -0.281 54.479 54.840 -0.133 0.000 0.841 96 L CB 2.765 44.755 42.059 -0.116 0.000 1.225 96 L HN 0.739 8.910 8.230 -0.097 0.000 0.414 97 T N 5.720 120.251 114.554 -0.039 0.000 2.792 97 T HA 0.341 4.721 4.350 0.049 0.000 0.303 97 T C -2.927 171.812 174.700 0.065 0.000 1.310 97 T CA -1.543 60.572 62.100 0.026 0.000 1.007 97 T CB 2.310 71.190 68.868 0.020 0.000 1.335 97 T HN 0.793 8.985 8.240 -0.081 0.000 0.504 98 A N 2.015 124.852 122.820 0.029 0.000 2.276 98 A HA 0.458 4.796 4.320 -0.119 -0.089 0.316 98 A C -2.299 175.256 177.584 -0.049 0.000 1.229 98 A CA -1.605 50.385 52.037 -0.080 0.000 0.851 98 A CB 2.126 21.021 19.000 -0.175 0.000 1.165 98 A HN 0.532 8.701 8.150 0.031 0.000 0.513 99 K N 5.542 125.892 120.400 -0.083 0.000 2.244 99 K HA 0.954 5.555 4.320 0.077 -0.234 0.260 99 K C -1.984 174.615 176.600 -0.001 0.000 0.951 99 K CA -2.152 54.137 56.287 0.003 0.000 0.826 99 K CB 3.692 36.185 32.500 -0.011 0.000 1.108 99 K HN 0.780 8.830 8.250 -0.169 0.099 0.433 100 L N 2.482 123.748 121.223 0.072 0.000 2.409 100 L HA 0.505 4.884 4.340 0.064 0.000 0.272 100 L C -2.350 174.606 176.870 0.144 0.000 0.980 100 L CA -0.770 54.117 54.840 0.079 0.000 0.826 100 L CB 2.489 44.576 42.059 0.046 0.000 1.268 100 L HN 0.339 8.640 8.230 0.119 0.000 0.407 101 G N 1.734 110.636 108.800 0.170 0.000 2.682 101 G HA2 0.524 4.576 3.960 0.174 0.000 0.303 101 G HA3 0.524 4.729 3.960 0.243 -0.099 0.303 101 G C -2.192 172.891 174.900 0.305 0.000 1.341 101 G CA 0.463 45.690 45.100 0.211 0.000 0.784 101 G HN -0.358 8.028 8.290 0.161 0.000 0.497 102 Y N -2.213 118.111 120.300 0.041 0.000 2.573 102 Y HA 0.289 4.855 4.550 0.025 0.000 0.328 102 Y C -2.431 173.482 175.900 0.022 0.000 1.170 102 Y CA -1.260 56.854 58.100 0.025 0.000 1.078 102 Y CB 4.081 42.549 38.460 0.014 0.000 1.341 102 Y HN 0.402 8.811 8.280 0.215 0.000 0.459 103 P HA 0.429 4.957 4.420 -0.032 -0.127 0.279 103 P C -1.428 175.859 177.300 -0.022 0.000 1.276 103 P CA -0.568 62.470 63.100 -0.103 0.000 0.801 103 P CB 1.869 33.462 31.700 -0.179 0.000 1.127 104 I N -2.228 118.352 120.570 0.016 0.000 3.616 104 I HA 0.075 4.282 4.170 0.063 0.000 0.296 104 I C 1.019 177.153 176.117 0.027 0.000 1.226 104 I CA 0.808 62.135 61.300 0.044 0.000 1.394 104 I CB 0.904 38.943 38.000 0.064 0.000 1.171 104 I HN 0.753 8.892 8.210 0.019 0.082 0.442 105 T N -2.335 112.226 114.554 0.013 0.000 3.705 105 T HA 0.021 4.375 4.350 0.007 0.000 0.267 105 T C -1.139 173.560 174.700 -0.003 0.000 0.954 105 T CA 0.103 62.208 62.100 0.008 0.000 1.149 105 T CB 2.025 70.905 68.868 0.019 0.000 1.118 105 T HN -0.423 7.823 8.240 0.011 0.000 0.414 106 D N -0.566 119.839 120.400 0.009 0.000 4.570 106 D HA 0.008 4.644 4.640 -0.006 0.000 0.218 106 D C -1.804 174.515 176.300 0.031 0.000 1.436 106 D CA 0.485 54.491 54.000 0.009 0.000 0.881 106 D CB 1.162 41.968 40.800 0.011 0.000 1.344 106 D HN -0.010 8.374 8.370 0.023 0.000 0.934 107 D N -3.842 116.587 120.400 0.049 0.000 1.490 107 D HA -0.026 4.662 4.640 0.081 0.000 0.826 107 D C -1.909 174.488 176.300 0.161 0.000 0.451 107 D CA 0.993 55.046 54.000 0.089 0.000 1.354 107 D CB 0.801 41.646 40.800 0.076 0.000 1.048 107 D HN -0.272 8.123 8.370 0.043 0.000 0.389 108 L N -0.359 120.962 121.223 0.162 0.000 2.305 108 L HA 0.783 5.546 4.340 0.396 -0.186 0.284 108 L C -1.885 175.049 176.870 0.107 0.000 1.013 108 L CA -1.115 53.878 54.840 0.255 0.000 0.819 108 L CB 1.350 43.592 42.059 0.305 0.000 1.227 108 L HN -0.581 7.712 8.230 0.106 0.000 0.417 109 D N -0.211 120.212 120.400 0.038 0.000 2.661 109 D HA 0.656 5.415 4.640 0.025 -0.104 0.228 109 D C -1.483 174.793 176.300 -0.040 0.000 1.183 109 D CA -0.948 53.055 54.000 0.005 0.000 0.844 109 D CB 4.013 44.807 40.800 -0.009 0.000 1.555 109 D HN 0.624 8.996 8.370 0.004 0.000 0.453 110 I N -6.574 113.993 120.570 -0.004 0.000 2.603 110 I HA 0.721 4.855 4.170 -0.226 -0.100 0.300 110 I C -2.265 173.872 176.117 0.034 0.000 1.017 110 I CA -1.665 59.587 61.300 -0.081 0.000 1.098 110 I CB 3.244 41.202 38.000 -0.071 0.000 1.279 110 I HN 0.430 8.668 8.210 0.047 0.000 0.437 111 Y N -0.568 119.700 120.300 -0.054 0.000 2.609 111 Y HA 0.846 5.569 4.550 0.004 -0.171 0.336 111 Y C -2.303 173.593 175.900 -0.006 0.000 1.129 111 Y CA -2.183 55.905 58.100 -0.020 0.000 1.040 111 Y CB 2.999 41.441 38.460 -0.029 0.000 1.310 111 Y HN 0.715 8.679 8.280 -0.527 0.000 0.460 112 T N -1.101 113.607 114.554 0.257 0.000 2.916 112 T HA 0.493 5.025 4.350 0.141 -0.097 0.298 112 T C -0.986 173.861 174.700 0.245 0.000 1.031 112 T CA -1.295 60.918 62.100 0.188 0.000 0.993 112 T CB 2.575 71.499 68.868 0.094 0.000 1.045 112 T HN 0.696 8.996 8.240 0.273 0.104 0.454 113 R N 3.308 123.967 120.500 0.266 0.000 2.437 113 R HA 0.926 5.613 4.340 0.169 -0.246 0.310 113 R C -2.344 174.094 176.300 0.229 0.000 0.955 113 R CA -1.885 54.354 56.100 0.232 0.000 0.851 113 R CB 2.426 32.908 30.300 0.304 0.000 1.161 113 R HN 1.074 9.394 8.270 0.259 0.105 0.446 114 L N 4.541 125.862 121.223 0.163 0.000 2.376 114 L HA 0.498 5.021 4.340 0.306 0.000 0.275 114 L C -2.256 174.670 176.870 0.093 0.000 0.987 114 L CA -1.023 53.917 54.840 0.168 0.000 0.828 114 L CB 3.211 45.308 42.059 0.063 0.000 1.249 114 L HN 0.357 8.650 8.230 0.105 0.000 0.409 115 G N 5.023 113.890 108.800 0.112 0.000 2.586 115 G HA2 0.445 4.427 3.960 0.035 0.000 0.105 115 G HA3 0.445 4.579 3.960 0.049 -0.144 0.105 115 G C -2.475 172.466 174.900 0.069 0.000 1.129 115 G CA 0.913 46.050 45.100 0.062 0.000 1.127 115 G HN 0.819 9.217 8.290 0.180 0.000 0.532 116 G N -2.332 106.493 108.800 0.041 0.000 2.684 116 G HA2 0.830 4.988 3.960 0.074 0.000 0.290 116 G HA3 0.830 4.802 3.960 0.020 0.000 0.290 116 G C -2.740 172.174 174.900 0.024 0.000 1.425 116 G CA -0.183 44.942 45.100 0.041 0.000 0.822 116 G HN 0.199 8.500 8.290 0.019 0.000 0.482 117 M N -1.498 118.128 119.600 0.044 0.000 2.456 117 M HA 0.352 4.851 4.480 0.032 0.000 0.324 117 M C -1.888 174.413 176.300 0.001 0.000 1.124 117 M CA -0.731 54.608 55.300 0.064 0.000 0.959 117 M CB 3.702 36.408 32.600 0.178 0.000 1.692 117 M HN 0.919 9.122 8.290 0.052 0.118 0.444 118 V N 1.220 121.132 119.914 -0.002 0.000 2.488 118 V HA 0.809 4.954 4.120 -0.281 -0.194 0.293 118 V C -1.012 175.091 176.094 0.015 0.000 1.027 118 V CA -1.609 60.625 62.300 -0.111 0.000 0.862 118 V CB 1.025 32.792 31.823 -0.094 0.000 1.008 118 V HN 0.827 8.932 8.190 0.041 0.110 0.428 119 W N 4.776 126.098 121.300 0.037 0.000 2.902 119 W HA 0.665 5.366 4.660 0.067 0.000 0.346 119 W C -2.678 173.867 176.519 0.043 0.000 1.139 119 W CA -2.756 54.623 57.345 0.056 0.000 1.139 119 W CB 3.174 32.678 29.460 0.074 0.000 1.439 119 W HN 1.045 8.631 8.180 -0.815 0.106 0.558 120 R N -2.316 118.480 120.500 0.494 0.000 2.787 120 R HA 0.331 4.793 4.340 0.204 0.000 0.271 120 R C -0.831 175.753 176.300 0.475 0.000 0.993 120 R CA -1.256 55.052 56.100 0.346 0.000 0.993 120 R CB 2.513 32.918 30.300 0.174 0.000 1.155 120 R HN -0.210 8.345 8.270 0.476 0.000 0.486 121 A N 1.349 124.374 122.820 0.343 0.000 2.286 121 A HA 0.198 4.678 4.320 0.266 0.000 0.286 121 A C -1.017 176.641 177.584 0.124 0.000 1.097 121 A CA -0.819 51.371 52.037 0.256 0.000 0.821 121 A CB 0.993 20.132 19.000 0.231 0.000 1.076 121 A HN 0.017 8.310 8.150 0.237 0.000 0.490 122 D N 0.115 120.557 120.400 0.070 0.000 2.348 122 D HA -0.017 4.683 4.640 0.099 0.000 0.253 122 D C -0.017 176.289 176.300 0.010 0.000 1.161 122 D CA 0.343 54.373 54.000 0.050 0.000 0.876 122 D CB 0.751 41.557 40.800 0.011 0.000 1.160 122 D HN 0.040 8.438 8.370 0.048 0.000 0.459 123 S N 3.904 119.623 115.700 0.032 0.000 2.580 123 S HA -0.156 4.294 4.470 -0.034 0.000 0.266 123 S C 0.381 174.998 174.600 0.028 0.000 1.354 123 S CA 0.306 58.507 58.200 0.003 0.000 1.008 123 S CB 0.751 63.949 63.200 -0.002 0.000 0.898 123 S HN 0.113 8.471 8.310 0.080 0.000 0.555 124 K N 1.138 121.551 120.400 0.020 0.000 2.350 124 K HA -0.038 4.274 4.320 -0.015 0.000 0.279 124 K C 0.326 176.985 176.600 0.098 0.000 1.027 124 K CA 0.465 56.769 56.287 0.029 0.000 0.969 124 K CB 0.452 32.964 32.500 0.020 0.000 0.954 124 K HN 0.090 8.341 8.250 0.002 0.000 0.474 125 G N 2.419 111.309 108.800 0.151 0.000 3.039 125 G HA2 0.074 4.119 3.960 0.141 0.000 0.202 125 G HA3 0.074 4.180 3.960 0.243 0.000 0.202 125 G C -1.399 173.624 174.900 0.204 0.000 1.151 125 G CA 0.250 45.467 45.100 0.195 0.000 0.836 125 G HN 0.020 8.396 8.290 0.143 0.000 0.598 126 N N 1.467 120.269 118.700 0.170 0.000 3.245 126 N HA 0.163 4.952 4.740 0.082 0.000 0.296 126 N C -1.371 174.165 175.510 0.043 0.000 1.254 126 N CA -0.557 52.542 53.050 0.081 0.000 1.190 126 N CB -1.555 36.937 38.487 0.007 0.000 1.460 126 N HN 0.106 8.580 8.380 0.158 0.000 0.538 127 Y N 1.569 121.873 120.300 0.007 0.000 2.534 127 Y HA -0.095 4.453 4.550 -0.004 0.000 0.329 127 Y C -0.179 175.720 175.900 -0.001 0.000 1.154 127 Y CA -0.203 57.899 58.100 0.003 0.000 1.192 127 Y CB 2.059 40.526 38.460 0.011 0.000 1.275 127 Y HN -0.685 7.716 8.280 0.299 0.058 0.491 128 A N 3.206 126.104 122.820 0.130 0.000 2.457 128 A HA 0.441 4.805 4.320 0.072 0.000 0.283 128 A C -0.990 176.643 177.584 0.083 0.000 1.166 128 A CA -0.019 52.062 52.037 0.072 0.000 0.740 128 A CB 0.613 19.620 19.000 0.011 0.000 1.181 128 A HN 0.122 8.346 8.150 0.123 0.000 0.446 129 S N 1.201 116.945 115.700 0.073 0.000 2.595 129 S HA 0.180 4.680 4.470 0.049 0.000 0.281 129 S C -0.068 174.548 174.600 0.027 0.000 1.117 129 S CA 0.430 58.662 58.200 0.054 0.000 0.873 129 S CB 1.401 64.638 63.200 0.062 0.000 1.108 129 S HN 0.086 8.438 8.310 0.069 0.000 0.477 130 T N -0.409 114.153 114.554 0.013 0.000 3.516 130 T HA 0.267 4.617 4.350 0.001 0.000 0.300 130 T C -0.236 174.456 174.700 -0.013 0.000 0.995 130 T CA -0.470 61.630 62.100 -0.001 0.000 0.982 130 T CB 0.101 68.967 68.868 -0.004 0.000 1.199 130 T HN 0.115 8.364 8.240 0.014 0.000 0.481 131 G N 1.640 110.434 108.800 -0.010 0.000 4.328 131 G HA2 -0.096 3.846 3.960 -0.031 0.000 0.133 131 G HA3 -0.096 3.847 3.960 -0.029 0.000 0.133 131 G C -1.607 173.284 174.900 -0.016 0.000 1.397 131 G CA 0.643 45.730 45.100 -0.023 0.000 1.001 131 G HN -0.293 7.998 8.290 0.000 0.000 0.325 132 V N 4.458 124.368 119.914 -0.008 0.000 2.370 132 V HA 0.240 4.355 4.120 -0.008 0.000 0.279 132 V C -1.961 174.135 176.094 0.003 0.000 1.029 132 V CA -0.399 61.899 62.300 -0.004 0.000 0.870 132 V CB 0.624 32.446 31.823 -0.002 0.000 0.984 132 V HN -0.132 8.055 8.190 -0.004 0.000 0.451 133 S N 6.071 121.768 115.700 -0.005 0.000 2.611 133 S HA 0.189 4.646 4.470 -0.023 0.000 0.270 133 S C -1.056 173.527 174.600 -0.029 0.000 1.131 133 S CA -0.510 57.679 58.200 -0.018 0.000 0.826 133 S CB 1.563 64.760 63.200 -0.006 0.000 1.095 133 S HN -0.035 8.271 8.310 -0.006 0.000 0.461 134 R N 1.497 121.959 120.500 -0.062 0.000 2.272 134 R HA 0.255 4.586 4.340 -0.014 0.000 0.323 134 R C -0.531 175.741 176.300 -0.047 0.000 1.002 134 R CA -0.079 55.995 56.100 -0.044 0.000 0.900 134 R CB 0.561 30.833 30.300 -0.047 0.000 1.151 134 R HN 0.288 8.494 8.270 -0.107 0.000 0.507 135 S N 1.207 116.900 115.700 -0.011 0.000 2.562 135 S HA 0.117 4.581 4.470 -0.010 0.000 0.246 135 S C -0.717 173.909 174.600 0.043 0.000 1.056 135 S CA -0.072 58.131 58.200 0.005 0.000 1.042 135 S CB 0.444 63.650 63.200 0.009 0.000 0.822 135 S HN 0.339 8.648 8.310 -0.002 0.000 0.465 136 E N 0.559 120.790 120.200 0.052 0.000 2.359 136 E HA 0.200 4.640 4.350 0.151 0.000 0.266 136 E C -1.411 175.262 176.600 0.122 0.000 0.920 136 E CA -1.517 54.935 56.400 0.086 0.000 0.788 136 E CB 2.143 31.855 29.700 0.019 0.000 1.279 136 E HN -0.367 7.931 8.360 0.031 0.080 0.438 137 H N -3.661 115.397 119.070 -0.021 0.000 2.340 137 H HA 0.310 4.849 4.556 -0.029 0.000 0.233 137 H C -1.251 174.058 175.328 -0.032 0.000 1.435 137 H CA -0.871 55.156 56.048 -0.036 0.000 1.389 137 H CB -0.341 29.381 29.762 -0.066 0.000 1.491 137 H HN 0.323 8.591 8.280 -0.019 0.000 0.518 138 D N 2.045 122.389 120.400 -0.094 0.000 2.392 138 D HA 0.205 4.724 4.640 -0.201 0.000 0.246 138 D C -1.236 175.004 176.300 -0.099 0.000 1.013 138 D CA -1.193 52.726 54.000 -0.136 0.000 0.993 138 D CB 2.643 43.370 40.800 -0.122 0.000 1.219 138 D HN 0.280 8.645 8.370 -0.008 0.000 0.538 139 T N -0.769 113.681 114.554 -0.172 0.000 2.756 139 T HA 0.259 4.484 4.350 -0.208 0.000 0.290 139 T C -0.069 174.321 174.700 -0.517 0.000 0.985 139 T CA -0.771 61.173 62.100 -0.259 0.000 0.955 139 T CB 1.076 69.829 68.868 -0.192 0.000 0.930 139 T HN -0.034 8.103 8.240 -0.172 0.000 0.451 140 G N 4.060 112.200 108.800 -1.100 0.000 2.364 140 G HA2 0.208 3.506 3.960 -1.103 0.000 0.267 140 G HA3 0.208 1.599 3.960 -4.282 0.000 0.267 140 G C -2.556 171.598 174.900 -1.244 0.000 1.233 140 G CA -0.340 43.635 45.100 -1.874 0.000 0.885 140 G HN 0.417 8.099 8.290 -1.012 0.000 0.490 141 V N 4.401 123.928 119.914 -0.646 0.000 2.777 141 V HA 0.933 5.057 4.120 -0.368 -0.225 0.306 141 V C -1.949 174.050 176.094 -0.159 0.000 1.112 141 V CA -2.570 59.522 62.300 -0.348 0.000 0.917 141 V CB 2.585 34.264 31.823 -0.240 0.000 1.018 141 V HN 0.061 7.948 8.190 -0.506 0.000 0.426 142 S N 7.258 122.921 115.700 -0.062 0.000 2.562 142 S HA 0.513 4.985 4.470 0.004 0.000 0.274 142 S C -2.794 171.837 174.600 0.051 0.000 1.160 142 S CA -2.086 56.126 58.200 0.020 0.000 0.933 142 S CB 1.874 65.126 63.200 0.086 0.000 1.100 142 S HN 0.703 8.973 8.310 -0.065 0.000 0.468 143 P HA 0.189 4.746 4.420 0.067 -0.098 0.279 143 P C -1.456 175.930 177.300 0.143 0.000 1.239 143 P CA -0.495 62.652 63.100 0.078 0.000 0.789 143 P CB 0.409 32.141 31.700 0.052 0.000 0.933 144 V N -5.151 114.875 119.914 0.187 0.000 3.204 144 V HA 0.368 4.691 4.120 0.339 0.000 0.298 144 V C -2.537 173.775 176.094 0.363 0.000 1.328 144 V CA -2.303 60.156 62.300 0.265 0.000 1.035 144 V CB 3.255 35.180 31.823 0.170 0.000 1.095 144 V HN 0.742 8.895 8.190 0.155 0.131 0.442 145 F N -2.009 117.981 119.950 0.066 0.000 2.607 145 F HA 0.926 5.650 4.527 0.084 -0.146 0.322 145 F C -2.516 173.327 175.800 0.072 0.000 1.176 145 F CA -2.098 55.940 58.000 0.064 0.000 0.977 145 F CB 2.493 41.508 39.000 0.026 0.000 1.242 145 F HN 0.503 8.890 8.300 0.144 0.000 0.465 146 A N 1.533 124.374 122.820 0.036 0.000 2.346 146 A HA 0.402 4.596 4.320 -0.210 0.000 0.313 146 A C -2.506 175.092 177.584 0.024 0.000 1.140 146 A CA -2.067 49.942 52.037 -0.046 0.000 0.826 146 A CB 3.369 22.384 19.000 0.024 0.000 1.332 146 A HN 0.637 8.897 8.150 0.183 0.000 0.457 147 G N -3.324 105.454 108.800 -0.036 0.000 2.753 147 G HA2 0.793 4.820 3.960 -0.081 0.000 0.297 147 G HA3 0.793 4.711 3.960 -0.069 0.000 0.297 147 G C -2.230 172.559 174.900 -0.186 0.000 1.430 147 G CA -0.354 44.693 45.100 -0.089 0.000 1.040 147 G HN 0.226 8.489 8.290 -0.045 0.000 0.530 148 G N 1.005 109.537 108.800 -0.448 0.000 2.664 148 G HA2 0.943 4.704 3.960 -0.331 0.000 0.303 148 G HA3 0.943 4.814 3.960 -0.472 -0.194 0.303 148 G C -2.720 171.750 174.900 -0.716 0.000 1.243 148 G CA 0.243 45.042 45.100 -0.502 0.000 0.826 148 G HN 0.550 8.463 8.290 -0.628 0.000 0.498 149 V N -6.580 112.932 119.914 -0.669 0.000 3.141 149 V HA 0.892 4.761 4.120 -0.563 -0.087 0.312 149 V C -2.807 172.885 176.094 -0.669 0.000 1.157 149 V CA -3.026 58.888 62.300 -0.643 0.000 1.041 149 V CB 4.168 35.641 31.823 -0.583 0.000 1.071 149 V HN 0.306 8.140 8.190 -0.594 0.000 0.441 150 E N -0.591 119.279 120.200 -0.550 0.000 2.340 150 E HA 0.530 4.704 4.350 -0.458 -0.099 0.273 150 E C -1.979 174.381 176.600 -0.400 0.000 0.891 150 E CA -1.296 54.865 56.400 -0.398 0.000 0.757 150 E CB 4.578 34.250 29.700 -0.048 0.000 1.231 150 E HN 0.890 8.880 8.360 -0.440 0.106 0.439 151 W N 2.586 123.897 121.300 0.018 0.000 2.781 151 W HA 0.728 5.609 4.660 0.003 -0.220 0.333 151 W C -1.632 174.898 176.519 0.019 0.000 1.047 151 W CA -2.926 54.425 57.345 0.010 0.000 1.236 151 W CB 3.691 33.155 29.460 0.006 0.000 1.394 151 W HN 1.241 9.293 8.180 -0.024 0.114 0.466 152 A N 4.023 126.983 122.820 0.234 0.000 2.260 152 A HA 0.214 4.620 4.320 0.142 0.000 0.308 152 A C -1.737 175.921 177.584 0.124 0.000 1.254 152 A CA -0.967 51.158 52.037 0.147 0.000 0.874 152 A CB 0.881 19.942 19.000 0.102 0.000 1.153 152 A HN 0.817 8.994 8.150 0.242 0.118 0.527 153 V N 4.447 124.428 119.914 0.112 0.000 2.870 153 V HA 0.268 4.426 4.120 0.064 0.000 0.232 153 V C 1.082 177.216 176.094 0.067 0.000 1.161 153 V CA 0.278 62.626 62.300 0.080 0.000 1.204 153 V CB 0.852 32.722 31.823 0.078 0.000 1.003 153 V HN 0.514 8.778 8.190 0.123 0.000 0.499 154 T N 1.589 116.188 114.554 0.075 0.000 2.788 154 T HA 0.164 4.545 4.350 0.052 0.000 0.280 154 T C 1.151 175.894 174.700 0.072 0.000 0.984 154 T CA -0.381 61.758 62.100 0.066 0.000 0.972 154 T CB 0.636 69.543 68.868 0.066 0.000 1.039 154 T HN -0.370 7.923 8.240 0.088 0.000 0.530 155 R N -0.693 119.844 120.500 0.062 0.000 2.148 155 R HA -0.222 4.157 4.340 0.064 0.000 0.227 155 R C -0.851 175.502 176.300 0.088 0.000 1.103 155 R CA 2.089 58.227 56.100 0.065 0.000 0.983 155 R CB 0.338 30.667 30.300 0.048 0.000 0.874 155 R HN 0.395 8.696 8.270 0.051 0.000 0.451 156 D N -7.026 113.434 120.400 0.100 0.000 2.785 156 D HA 0.075 4.820 4.640 0.177 0.000 0.324 156 D C -1.169 175.242 176.300 0.184 0.000 1.523 156 D CA -0.841 53.248 54.000 0.148 0.000 0.789 156 D CB -0.146 40.725 40.800 0.117 0.000 1.171 156 D HN -0.414 7.977 8.370 0.084 0.029 0.447 157 I N -1.391 119.272 120.570 0.156 0.000 2.586 157 I HA 0.187 4.626 4.170 0.226 -0.133 0.281 157 I C -2.204 174.002 176.117 0.148 0.000 1.145 157 I CA -0.082 61.316 61.300 0.164 0.000 1.073 157 I CB 1.959 40.026 38.000 0.111 0.000 1.238 157 I HN -0.959 7.227 8.210 0.130 0.102 0.461 158 A N 7.059 129.978 122.820 0.164 0.000 2.313 158 A HA 0.603 5.010 4.320 0.145 0.000 0.323 158 A C -1.910 175.761 177.584 0.145 0.000 1.133 158 A CA -1.692 50.432 52.037 0.145 0.000 0.847 158 A CB 3.577 22.648 19.000 0.118 0.000 1.308 158 A HN 1.140 9.306 8.150 0.196 0.102 0.475 159 T N -3.547 111.101 114.554 0.156 0.000 2.876 159 T HA 0.665 5.192 4.350 0.123 -0.103 0.289 159 T C -1.172 173.572 174.700 0.073 0.000 1.014 159 T CA -2.174 60.011 62.100 0.143 0.000 0.986 159 T CB 2.603 71.586 68.868 0.192 0.000 1.021 159 T HN 0.896 9.249 8.240 0.188 0.000 0.458 160 R N 1.759 122.264 120.500 0.009 0.000 2.771 160 R HA 0.642 4.881 4.340 -0.288 -0.072 0.274 160 R C -2.780 173.439 176.300 -0.135 0.000 0.987 160 R CA -1.892 54.138 56.100 -0.118 0.000 0.908 160 R CB 3.038 33.342 30.300 0.006 0.000 1.213 160 R HN 1.069 9.258 8.270 0.045 0.108 0.468 161 L N 0.992 122.050 121.223 -0.276 0.000 2.376 161 L HA 0.645 5.067 4.340 -0.077 -0.128 0.275 161 L C -2.174 174.589 176.870 -0.179 0.000 0.987 161 L CA -0.962 53.772 54.840 -0.178 0.000 0.828 161 L CB 3.694 45.640 42.059 -0.188 0.000 1.249 161 L HN 0.643 8.606 8.230 -0.445 0.000 0.409 162 E N 4.299 124.460 120.200 -0.066 0.000 2.202 162 E HA 0.327 4.584 4.350 -0.155 0.000 0.272 162 E C -1.832 174.856 176.600 0.148 0.000 0.951 162 E CA -1.252 55.115 56.400 -0.055 0.000 0.813 162 E CB 3.766 33.400 29.700 -0.110 0.000 1.151 162 E HN 0.268 8.607 8.360 -0.036 0.000 0.398 163 Y N 1.480 121.698 120.300 -0.136 0.000 2.634 163 Y HA 0.099 4.608 4.550 -0.069 0.000 0.340 163 Y C -0.744 175.115 175.900 -0.068 0.000 1.058 163 Y CA -1.301 56.750 58.100 -0.081 0.000 1.081 163 Y CB 3.781 42.206 38.460 -0.058 0.000 1.295 163 Y HN 0.326 8.525 8.280 0.067 0.120 0.487 164 Q N 0.280 120.076 119.800 -0.006 0.000 2.212 164 Q HA -0.144 4.133 4.340 -0.106 0.000 0.199 164 Q C -0.920 175.124 176.000 0.073 0.000 0.950 164 Q CA 1.699 57.486 55.803 -0.027 0.000 0.863 164 Q CB 0.031 28.743 28.738 -0.043 0.000 0.944 164 Q HN 0.356 8.538 8.270 -0.147 0.000 0.465 165 W N -2.513 118.774 121.300 -0.020 0.000 2.578 165 W HA 0.150 4.783 4.660 -0.045 0.000 0.353 165 W C -1.307 175.229 176.519 0.028 0.000 1.088 165 W CA -0.357 56.988 57.345 0.001 0.000 1.235 165 W CB 2.166 31.643 29.460 0.029 0.000 1.362 165 W HN -0.592 7.808 8.180 0.368 0.000 0.592 166 V N 1.361 121.246 119.914 -0.049 0.000 2.715 166 V HA 0.126 4.249 4.120 0.005 0.000 0.310 166 V C -0.250 175.843 176.094 -0.002 0.000 1.054 166 V CA -1.180 61.090 62.300 -0.050 0.000 0.928 166 V CB 2.416 34.163 31.823 -0.126 0.000 1.007 166 V HN -0.010 7.918 8.190 -0.438 0.000 0.437 167 N N 4.454 123.169 118.700 0.025 0.000 2.104 167 N HA -0.183 4.636 4.740 0.132 0.000 0.190 167 N C -0.277 175.243 175.510 0.018 0.000 1.024 167 N CA 1.721 54.803 53.050 0.054 0.000 0.853 167 N CB 0.212 38.710 38.487 0.018 0.000 1.008 167 N HN 0.435 8.811 8.380 -0.007 0.000 0.424 168 N N -1.767 116.913 118.700 -0.033 0.000 2.741 168 N HA 0.051 4.774 4.740 -0.028 0.000 0.310 168 N C -1.559 173.893 175.510 -0.096 0.000 1.295 168 N CA -0.789 52.234 53.050 -0.046 0.000 0.893 168 N CB 2.562 41.031 38.487 -0.030 0.000 1.247 168 N HN -0.444 7.903 8.380 -0.043 0.008 0.596 169 I N -1.606 118.915 120.570 -0.082 0.000 2.500 169 I HA 0.207 4.308 4.170 -0.116 0.000 0.286 169 I C -0.668 175.410 176.117 -0.065 0.000 1.063 169 I CA -0.603 60.638 61.300 -0.098 0.000 1.062 169 I CB 1.756 39.685 38.000 -0.117 0.000 1.223 169 I HN -0.017 8.159 8.210 -0.056 0.000 0.435 170 G N 6.911 115.676 108.800 -0.059 0.000 2.586 170 G HA2 -0.039 3.896 3.960 -0.040 0.000 0.199 170 G HA3 -0.039 3.896 3.960 -0.041 0.000 0.199 170 G C -0.764 174.105 174.900 -0.051 0.000 1.614 170 G CA 0.123 45.195 45.100 -0.047 0.000 0.921 170 G HN 0.198 8.450 8.290 -0.062 0.000 0.428 171 D N 0.725 121.090 120.400 -0.058 0.000 2.649 171 D HA 0.155 4.761 4.640 -0.057 0.000 0.249 171 D C -1.234 175.014 176.300 -0.087 0.000 1.112 171 D CA -0.093 53.869 54.000 -0.063 0.000 0.850 171 D CB 1.247 42.014 40.800 -0.055 0.000 1.399 171 D HN 0.010 8.345 8.370 -0.059 0.000 0.503 172 A N 2.504 125.273 122.820 -0.086 0.000 2.532 172 A HA 0.174 4.419 4.320 -0.125 0.000 0.296 172 A C -1.296 176.238 177.584 -0.084 0.000 1.058 172 A CA 0.335 52.307 52.037 -0.108 0.000 0.729 172 A CB 1.196 20.116 19.000 -0.135 0.000 1.285 172 A HN -0.011 8.097 8.150 -0.070 0.000 0.396 173 G N -0.063 108.686 108.800 -0.085 0.000 2.673 173 G HA2 0.384 4.313 3.960 -0.052 0.000 0.208 173 G HA3 0.384 4.309 3.960 -0.060 0.000 0.208 173 G C 0.234 175.099 174.900 -0.059 0.000 1.128 173 G CA 1.261 46.323 45.100 -0.063 0.000 0.805 173 G HN 0.716 8.945 8.290 -0.101 0.000 0.526 174 T N -0.501 114.007 114.554 -0.077 0.000 2.932 174 T HA 0.239 4.562 4.350 -0.046 0.000 0.318 174 T C -1.652 172.993 174.700 -0.091 0.000 1.265 174 T CA -0.331 61.730 62.100 -0.065 0.000 1.036 174 T CB 1.267 70.104 68.868 -0.052 0.000 1.209 174 T HN -0.491 7.690 8.240 -0.099 0.000 0.484 175 V N 2.187 122.067 119.914 -0.057 0.000 2.482 175 V HA 0.380 4.427 4.120 -0.123 0.000 0.295 175 V C -0.975 175.121 176.094 0.003 0.000 1.026 175 V CA -0.401 61.868 62.300 -0.052 0.000 0.856 175 V CB 1.727 33.549 31.823 -0.002 0.000 1.001 175 V HN 0.273 8.445 8.190 -0.030 0.000 0.424 176 G N 7.187 115.990 108.800 0.006 0.000 3.039 176 G HA2 0.351 4.331 3.960 0.033 0.000 0.329 176 G HA3 0.351 4.319 3.960 0.013 0.000 0.329 176 G C -0.533 174.409 174.900 0.070 0.000 1.361 176 G CA 0.236 45.354 45.100 0.031 0.000 1.088 176 G HN 0.245 8.520 8.290 -0.026 0.000 0.501 177 T N 1.685 116.297 114.554 0.096 0.000 3.008 177 T HA 0.246 4.659 4.350 0.106 0.000 0.328 177 T C -0.427 174.318 174.700 0.075 0.000 1.020 177 T CA -0.981 61.188 62.100 0.115 0.000 1.043 177 T CB 1.764 70.748 68.868 0.193 0.000 1.010 177 T HN -0.025 8.268 8.240 0.088 0.000 0.466 178 R N 5.265 125.796 120.500 0.052 0.000 2.056 178 R HA -0.007 4.344 4.340 0.019 0.000 0.227 178 R C -0.076 176.230 176.300 0.010 0.000 1.149 178 R CA 2.158 58.273 56.100 0.025 0.000 0.937 178 R CB -1.482 28.829 30.300 0.019 0.000 0.835 178 R HN 0.430 8.733 8.270 0.055 0.000 0.430 179 P HA -0.092 4.305 4.420 -0.039 0.000 0.214 179 P C -0.546 176.758 177.300 0.007 0.000 1.162 179 P CA 0.969 64.070 63.100 0.001 0.000 0.874 179 P CB 0.391 32.112 31.700 0.035 0.000 0.784 180 D N -6.187 114.236 120.400 0.039 0.000 2.764 180 D HA 0.115 4.775 4.640 0.034 0.000 0.293 180 D C -2.112 174.216 176.300 0.047 0.000 1.287 180 D CA -0.150 53.871 54.000 0.035 0.000 0.768 180 D CB 3.319 44.132 40.800 0.020 0.000 1.288 180 D HN -0.512 7.892 8.370 0.057 0.000 0.426 181 N N -2.980 115.712 118.700 -0.013 0.000 2.436 181 N HA -0.051 4.733 4.740 0.072 0.000 0.178 181 N C -0.553 174.704 175.510 -0.423 0.000 1.026 181 N CA 0.368 53.310 53.050 -0.179 0.000 0.880 181 N CB 1.261 39.566 38.487 -0.305 0.000 1.061 181 N HN 0.012 8.386 8.380 -0.009 0.000 0.434 182 G N -2.106 106.524 108.800 -0.283 0.000 3.022 182 G HA2 0.387 4.242 3.960 -0.175 0.000 0.284 182 G HA3 0.387 4.189 3.960 -0.264 0.000 0.284 182 G C -2.049 172.805 174.900 -0.078 0.000 1.375 182 G CA -0.795 44.179 45.100 -0.209 0.000 0.902 182 G HN -0.623 7.560 8.290 -0.178 0.000 0.538 183 M N -0.900 118.670 119.600 -0.050 0.000 2.324 183 M HA 0.243 4.697 4.480 -0.042 0.000 0.288 183 M C -0.928 175.324 176.300 -0.079 0.000 1.097 183 M CA -0.425 54.856 55.300 -0.032 0.000 0.928 183 M CB 4.049 36.672 32.600 0.038 0.000 1.648 183 M HN 0.208 8.468 8.290 -0.049 0.000 0.460 184 L N 4.886 126.014 121.223 -0.158 0.000 2.326 184 L HA 0.604 4.963 4.340 -0.188 -0.132 0.278 184 L C -0.212 176.594 176.870 -0.107 0.000 1.092 184 L CA -0.150 54.543 54.840 -0.245 0.000 0.810 184 L CB 0.216 41.913 42.059 -0.604 0.000 1.153 184 L HN 0.449 8.584 8.230 -0.158 0.000 0.439 185 S N -0.068 115.605 115.700 -0.045 0.000 2.627 185 S HA 0.285 4.764 4.470 0.014 0.000 0.268 185 S C -2.492 172.116 174.600 0.013 0.000 1.130 185 S CA -0.320 57.880 58.200 -0.000 0.000 0.819 185 S CB 2.394 65.598 63.200 0.006 0.000 1.100 185 S HN 0.565 8.863 8.310 -0.020 0.000 0.465 186 L N -1.318 119.924 121.223 0.032 0.000 2.346 186 L HA 0.693 5.047 4.340 0.023 0.000 0.274 186 L C -0.354 176.541 176.870 0.041 0.000 1.007 186 L CA -0.651 54.212 54.840 0.039 0.000 0.818 186 L CB 1.981 44.079 42.059 0.065 0.000 1.284 186 L HN 0.346 8.602 8.230 0.045 0.000 0.424 187 G N 0.041 108.864 108.800 0.039 0.000 2.682 187 G HA2 0.840 4.857 3.960 0.082 0.000 0.290 187 G HA3 0.840 4.830 3.960 0.045 -0.002 0.290 187 G C -2.974 171.977 174.900 0.086 0.000 1.425 187 G CA -0.126 45.012 45.100 0.063 0.000 0.807 187 G HN 0.639 8.945 8.290 0.027 0.000 0.482 188 V N -5.167 114.818 119.914 0.120 0.000 2.709 188 V HA 0.864 5.157 4.120 0.128 -0.096 0.308 188 V C -2.040 174.168 176.094 0.189 0.000 1.062 188 V CA -3.047 59.340 62.300 0.144 0.000 0.901 188 V CB 3.027 34.938 31.823 0.148 0.000 1.003 188 V HN 0.371 8.640 8.190 0.132 0.000 0.425 189 S N 3.007 118.823 115.700 0.194 0.000 2.740 189 S HA 0.770 5.489 4.470 0.297 -0.071 0.300 189 S C -2.052 172.733 174.600 0.308 0.000 1.147 189 S CA -1.892 56.445 58.200 0.227 0.000 0.871 189 S CB 3.772 67.045 63.200 0.122 0.000 1.173 189 S HN 0.761 9.061 8.310 0.164 0.108 0.510 190 Y N -3.849 116.570 120.300 0.198 0.000 2.544 190 Y HA 0.439 5.082 4.550 0.156 0.000 0.342 190 Y C -1.799 174.266 175.900 0.274 0.000 1.062 190 Y CA -1.838 56.378 58.100 0.193 0.000 1.023 190 Y CB 2.559 41.115 38.460 0.160 0.000 1.308 190 Y HN 0.972 9.077 8.280 -0.106 0.111 0.457 191 R N 0.114 120.807 120.500 0.322 0.000 2.615 191 R HA 0.044 4.689 4.340 0.353 -0.094 0.270 191 R C 0.198 176.737 176.300 0.398 0.000 1.081 191 R CA 0.265 56.561 56.100 0.327 0.000 1.154 191 R CB 1.167 31.628 30.300 0.268 0.000 1.063 191 R HN 0.366 8.835 8.270 0.331 0.000 0.519 192 F N 4.187 124.289 119.950 0.254 0.000 2.541 192 F HA -0.073 4.586 4.527 0.221 0.000 0.347 192 F C -0.505 175.385 175.800 0.151 0.000 1.242 192 F CA 0.187 58.306 58.000 0.200 0.000 1.123 192 F CB -0.097 38.997 39.000 0.156 0.000 1.354 192 F HN 0.205 8.834 8.300 0.547 0.000 0.621 193 G N 6.578 115.302 108.800 -0.127 0.000 2.470 193 G HA2 0.258 4.160 3.960 -0.098 0.000 0.320 193 G HA3 0.258 4.203 3.960 -0.026 0.000 0.320 193 G C -1.690 173.047 174.900 -0.272 0.000 1.245 193 G CA -0.019 44.997 45.100 -0.139 0.000 0.935 193 G HN -0.193 8.079 8.290 -0.030 0.000 0.476 194 Q N 1.222 120.880 119.800 -0.236 0.000 2.371 194 Q HA 0.024 4.259 4.340 -0.174 0.000 0.244 194 Q C -1.154 174.782 176.000 -0.107 0.000 0.882 194 Q CA -0.257 55.422 55.803 -0.207 0.000 0.866 194 Q CB 2.699 31.248 28.738 -0.314 0.000 1.399 194 Q HN 0.178 8.348 8.270 -0.167 0.000 0.432 195 E N 2.572 122.729 120.200 -0.072 0.000 2.349 195 E HA 0.212 4.544 4.350 -0.031 0.000 0.262 195 E C -1.309 175.270 176.600 -0.036 0.000 1.088 195 E CA -0.510 55.866 56.400 -0.040 0.000 0.899 195 E CB 0.933 30.617 29.700 -0.028 0.000 1.044 195 E HN -0.070 8.245 8.360 -0.075 0.000 0.420 196 D N 0.654 121.041 120.400 -0.021 0.000 2.358 196 D HA -0.062 4.565 4.640 -0.021 0.000 0.244 196 D C -0.375 175.915 176.300 -0.016 0.000 1.163 196 D CA 0.020 54.010 54.000 -0.017 0.000 0.945 196 D CB 1.153 41.948 40.800 -0.008 0.000 1.152 196 D HN 0.141 8.502 8.370 -0.015 0.000 0.451 197 A N 0.161 122.972 122.820 -0.014 0.000 2.459 197 A HA 0.329 4.642 4.320 -0.011 0.000 0.296 197 A C -1.874 175.704 177.584 -0.010 0.000 1.039 197 A CA 0.354 52.383 52.037 -0.013 0.000 0.698 197 A CB 1.843 20.833 19.000 -0.017 0.000 1.261 197 A HN 0.218 8.359 8.150 -0.014 0.000 0.405 198 A N 2.880 125.695 122.820 -0.007 0.000 2.408 198 A HA 0.375 4.691 4.320 -0.006 0.000 0.295 198 A C -3.106 174.475 177.584 -0.005 0.000 1.040 198 A CA -1.474 50.560 52.037 -0.006 0.000 0.707 198 A CB 0.470 19.468 19.000 -0.004 0.000 1.235 198 A HN 0.089 8.235 8.150 -0.007 0.000 0.418 199 P HA -0.077 4.340 4.420 -0.005 0.000 0.250 199 P C -1.376 175.922 177.300 -0.003 0.000 1.198 199 P CA 0.438 63.535 63.100 -0.005 0.000 1.118 199 P CB -0.587 31.110 31.700 -0.005 0.000 1.208 200 V N 6.869 126.781 119.914 -0.003 0.000 2.501 200 V HA 0.166 4.285 4.120 -0.002 0.000 0.277 200 V C -0.662 175.431 176.094 -0.002 0.000 1.004 200 V CA -0.023 62.276 62.300 -0.002 0.000 0.862 200 V CB 2.055 33.877 31.823 -0.001 0.000 1.035 200 V HN -0.174 8.014 8.190 -0.004 0.000 0.448 201 V N 5.720 125.632 119.914 -0.002 0.000 1.956 201 V HA 0.116 4.235 4.120 -0.002 0.000 0.248 201 V C -0.820 175.274 176.094 -0.001 0.000 1.615 201 V CA -1.296 61.003 62.300 -0.002 0.000 1.558 201 V CB -2.246 29.576 31.823 -0.002 0.000 1.529 201 V HN 0.199 8.387 8.190 -0.002 0.000 0.505 202 A N 5.824 128.644 122.820 -0.001 0.000 1.835 202 A HA 0.139 4.459 4.320 0.000 0.000 0.213 202 A C -0.190 177.394 177.584 -0.000 0.000 1.210 202 A CA 2.536 54.573 52.037 -0.000 0.000 0.605 202 A CB -1.977 17.023 19.000 0.000 0.000 0.860 202 A HN -0.046 8.051 8.150 -0.001 0.052 0.447 203 P HA -0.096 4.324 4.420 -0.000 0.000 0.217 203 P C -0.853 176.446 177.300 -0.001 0.000 1.154 203 P CA 0.516 63.616 63.100 -0.000 0.000 0.841 203 P CB -0.031 31.669 31.700 -0.000 0.000 0.788 204 A N 0.562 123.381 122.820 -0.001 0.000 2.438 204 A HA 0.137 4.457 4.320 -0.001 0.000 0.280 204 A C -1.866 175.717 177.584 -0.001 0.000 1.160 204 A CA -2.056 49.980 52.037 -0.001 0.000 0.821 204 A CB 0.024 19.023 19.000 -0.002 0.000 1.101 204 A HN -0.198 7.951 8.150 -0.001 0.000 0.515 205 P HA 0.024 4.444 4.420 -0.001 0.000 0.280 205 P C -1.401 175.898 177.300 -0.001 0.000 1.300 205 P CA -0.299 62.801 63.100 -0.001 0.000 0.785 205 P CB 0.366 32.066 31.700 -0.001 0.000 0.874 206 A N 5.706 128.525 122.820 -0.001 0.000 1.881 206 A HA 0.164 4.484 4.320 -0.001 0.000 0.210 206 A C -1.507 176.076 177.584 -0.001 0.000 1.239 206 A CA 0.837 52.873 52.037 -0.001 0.000 0.629 206 A CB -1.600 17.399 19.000 -0.002 0.000 0.906 206 A HN 0.488 8.638 8.150 -0.001 0.000 0.460 207 P HA -0.141 4.278 4.420 -0.001 0.000 0.252 207 P C -1.495 175.805 177.300 -0.001 0.000 1.183 207 P CA 0.410 63.510 63.100 -0.001 0.000 0.973 207 P CB -0.671 31.028 31.700 -0.001 0.000 0.990 208 A N 6.699 129.518 122.820 -0.001 0.000 1.844 208 A HA 0.002 4.321 4.320 -0.001 0.000 0.212 208 A C -0.072 177.512 177.584 -0.001 0.000 1.221 208 A CA 1.129 53.165 52.037 -0.001 0.000 0.607 208 A CB -1.532 17.468 19.000 -0.001 0.000 0.878 208 A HN 0.474 8.623 8.150 -0.001 0.000 0.451 209 P HA 0.056 4.476 4.420 -0.001 0.000 0.215 209 P C 0.117 177.416 177.300 -0.001 0.000 1.157 209 P CA 0.606 63.706 63.100 -0.001 0.000 0.856 209 P CB 0.288 31.988 31.700 -0.001 0.000 0.786 210 E N 0.000 120.200 120.200 -0.001 0.000 2.725 210 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 210 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 210 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 210 E HN 0.000 8.360 8.360 -0.001 0.000 0.440