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 3ps3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKQRTLKRI VQATGVGLHT GKKVTLTLRP APANTGVIYR RTDLNPPVDF DATA SEQUENCE PADAKSVRDT MLCTCLVNEH DVRISTVEHL NAALAGLGID NIVIEVNAPE DATA SEQUENCE IPIMDGSAAP FVYLLLDAGI DELNCAKKFV RIKETVRVED GDKWAEFKPY DATA SEQUENCE NGFSLDFTID FNHPAIDSSN QRYAMNFSAD AFMRQISRAR TFGFMRDIEY DATA SEQUENCE LQSRGLCLGG SFDCAIVVDD YRVLNEDGLR FEDEFVRHKM LDAIGDLFMC DATA SEQUENCE GHNIIGAFTA YKSGHALNNK LLQAVLAKQE AWEYVTFQDD AELPLAFKAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.548 4.480 0.113 0.000 0.227 1 M C 0.000 176.369 176.300 0.114 0.000 1.140 1 M CA 0.000 55.357 55.300 0.095 0.000 0.988 1 M CB 0.000 32.644 32.600 0.073 0.000 1.302 2 I N 5.609 126.281 120.570 0.171 0.000 2.494 2 I HA 0.034 4.300 4.170 0.161 0.000 0.289 2 I C -1.127 175.094 176.117 0.173 0.000 1.106 2 I CA -1.331 60.089 61.300 0.200 0.000 1.369 2 I CB -1.403 36.793 38.000 0.326 0.000 1.410 2 I HN 0.481 8.815 8.210 0.206 0.000 0.523 3 K N 7.381 127.853 120.400 0.120 0.000 2.095 3 K HA 0.331 4.828 4.320 0.073 -0.133 0.252 3 K C -0.404 176.233 176.600 0.062 0.000 0.977 3 K CA -0.997 55.337 56.287 0.078 0.000 0.900 3 K CB 1.442 33.975 32.500 0.055 0.000 1.060 3 K HN 0.137 8.453 8.250 0.111 0.000 0.449 4 Q N -0.814 119.003 119.800 0.028 0.000 2.454 4 Q HA -0.076 4.426 4.340 -0.011 -0.169 0.247 4 Q C 0.112 176.116 176.000 0.006 0.000 1.028 4 Q CA 0.828 56.630 55.803 -0.001 0.000 0.910 4 Q CB 1.198 29.921 28.738 -0.024 0.000 1.276 4 Q HN -0.244 8.039 8.270 0.022 0.000 0.489 5 R N -1.379 119.121 120.500 -0.001 0.000 2.807 5 R HA 0.894 5.400 4.340 0.010 -0.160 0.276 5 R C -0.481 175.815 176.300 -0.006 0.000 0.979 5 R CA -1.276 54.828 56.100 0.006 0.000 0.928 5 R CB 4.228 34.539 30.300 0.018 0.000 1.191 5 R HN -0.080 8.412 8.270 -0.011 -0.229 0.471 6 T N -0.420 114.132 114.554 -0.003 0.000 2.654 6 T HA 0.500 4.961 4.350 -0.015 -0.120 0.289 6 T C -1.556 173.143 174.700 -0.002 0.000 1.062 6 T CA -2.928 59.166 62.100 -0.010 0.000 1.041 6 T CB 2.266 71.124 68.868 -0.017 0.000 1.417 6 T HN 0.370 8.611 8.240 0.002 0.000 0.510 7 L N -0.021 121.199 121.223 -0.004 0.000 2.399 7 L HA 0.442 5.000 4.340 0.009 -0.213 0.266 7 L C 0.298 177.172 176.870 0.006 0.000 1.114 7 L CA -0.295 54.547 54.840 0.004 0.000 0.804 7 L CB 0.546 42.607 42.059 0.003 0.000 1.146 7 L HN 0.426 8.650 8.230 -0.011 0.000 0.451 8 K N 0.723 121.131 120.400 0.012 0.000 2.116 8 K HA -0.111 4.215 4.320 0.011 0.000 0.203 8 K C 0.194 176.801 176.600 0.012 0.000 1.052 8 K CA 1.803 58.097 56.287 0.013 0.000 0.952 8 K CB 0.931 33.441 32.500 0.017 0.000 0.729 8 K HN 0.069 8.232 8.250 0.016 0.096 0.446 9 R N -3.432 117.077 120.500 0.015 0.000 2.799 9 R HA 0.222 4.569 4.340 0.012 0.000 0.270 9 R C -1.635 174.675 176.300 0.016 0.000 1.010 9 R CA -1.591 54.518 56.100 0.015 0.000 0.916 9 R CB 2.105 32.416 30.300 0.019 0.000 1.228 9 R HN -0.548 7.732 8.270 0.017 0.000 0.469 10 I N 1.072 121.652 120.570 0.015 0.000 2.441 10 I HA 0.161 4.539 4.170 0.015 -0.199 0.287 10 I C 0.316 176.448 176.117 0.026 0.000 1.049 10 I CA 0.121 61.431 61.300 0.017 0.000 1.381 10 I CB 0.637 38.645 38.000 0.014 0.000 1.409 10 I HN 0.195 8.413 8.210 0.014 0.000 0.523 11 V N 3.446 123.380 119.914 0.033 0.000 3.001 11 V HA 0.596 4.740 4.120 0.040 0.000 0.314 11 V C -1.950 174.174 176.094 0.050 0.000 1.099 11 V CA -2.347 59.980 62.300 0.044 0.000 0.989 11 V CB 3.314 35.171 31.823 0.057 0.000 1.040 11 V HN 0.221 8.430 8.190 0.031 0.000 0.434 12 Q N 0.853 120.685 119.800 0.054 0.000 2.421 12 Q HA 1.061 5.656 4.340 0.065 -0.216 0.280 12 Q C -1.338 174.703 176.000 0.069 0.000 1.085 12 Q CA -1.648 54.191 55.803 0.059 0.000 0.807 12 Q CB 4.380 33.145 28.738 0.045 0.000 1.405 12 Q HN 0.142 8.443 8.270 0.052 0.000 0.419 13 A N 1.279 124.147 122.820 0.080 0.000 2.606 13 A HA 0.534 4.890 4.320 0.060 0.000 0.293 13 A C -2.858 174.771 177.584 0.074 0.000 1.082 13 A CA -0.170 51.914 52.037 0.078 0.000 0.685 13 A CB 3.273 22.336 19.000 0.106 0.000 1.284 13 A HN 0.541 8.742 8.150 0.084 0.000 0.408 14 T N -2.728 111.858 114.554 0.055 0.000 2.932 14 T HA 1.058 5.639 4.350 0.060 -0.195 0.289 14 T C 0.121 174.847 174.700 0.043 0.000 1.039 14 T CA -2.539 59.591 62.100 0.049 0.000 1.024 14 T CB 2.589 71.477 68.868 0.034 0.000 1.090 14 T HN 0.066 8.332 8.240 0.044 0.000 0.496 15 G N -0.341 108.485 108.800 0.044 0.000 2.356 15 G HA2 0.205 4.177 3.960 0.020 0.000 0.294 15 G HA3 0.205 4.188 3.960 0.038 0.000 0.294 15 G C -2.922 172.000 174.900 0.037 0.000 1.423 15 G CA 0.244 45.365 45.100 0.034 0.000 0.806 15 G HN -0.368 7.951 8.290 0.048 0.000 0.527 16 V N -3.434 116.496 119.914 0.027 0.000 2.743 16 V HA 0.872 5.217 4.120 0.026 -0.209 0.301 16 V C -0.273 175.842 176.094 0.035 0.000 1.057 16 V CA -2.653 59.662 62.300 0.025 0.000 1.006 16 V CB 1.932 33.761 31.823 0.009 0.000 1.024 16 V HN 0.149 8.350 8.190 0.020 0.000 0.473 17 G N 1.017 109.840 108.800 0.038 0.000 2.370 17 G HA2 0.167 4.163 3.960 0.060 0.000 0.272 17 G HA3 0.167 4.342 3.960 0.061 -0.177 0.272 17 G C -0.474 174.440 174.900 0.023 0.000 1.208 17 G CA -0.932 44.198 45.100 0.050 0.000 0.856 17 G HN -0.172 8.139 8.290 0.035 0.000 0.500 18 L N 6.406 127.625 121.223 -0.006 0.000 2.081 18 L HA -0.288 4.002 4.340 -0.083 0.000 0.212 18 L C 1.125 177.904 176.870 -0.151 0.000 1.080 18 L CA 2.828 57.605 54.840 -0.104 0.000 0.754 18 L CB 0.147 42.094 42.059 -0.187 0.000 0.893 18 L HN 0.599 8.835 8.230 0.011 0.000 0.433 19 H N -2.746 116.308 119.070 -0.027 0.000 2.317 19 H HA -0.090 4.448 4.556 -0.031 0.000 0.304 19 H C 2.199 177.511 175.328 -0.027 0.000 1.067 19 H CA 4.690 60.720 56.048 -0.030 0.000 1.352 19 H CB 0.313 30.053 29.762 -0.035 0.000 1.398 19 H HN -0.468 8.277 8.280 0.092 -0.409 0.510 20 T N -3.952 110.670 114.554 0.113 0.000 3.035 20 T HA -0.064 4.315 4.350 0.049 0.000 0.259 20 T C 1.175 175.888 174.700 0.023 0.000 1.078 20 T CA 1.066 63.199 62.100 0.053 0.000 1.132 20 T CB 0.905 69.797 68.868 0.041 0.000 0.900 20 T HN -0.445 8.139 8.240 0.124 -0.271 0.480 21 G N 1.980 110.790 108.800 0.017 0.000 2.162 21 G HA2 -0.323 3.704 3.960 -0.005 0.000 0.260 21 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.260 21 G C -0.026 174.878 174.900 0.006 0.000 0.976 21 G CA 0.431 45.532 45.100 0.001 0.000 0.655 21 G HN -0.234 8.070 8.290 0.023 0.000 0.533 22 K N -0.495 119.914 120.400 0.015 0.000 2.106 22 K HA 0.185 4.511 4.320 0.010 0.000 0.246 22 K C -1.241 175.370 176.600 0.020 0.000 0.987 22 K CA -1.332 54.964 56.287 0.015 0.000 0.904 22 K CB 1.749 34.258 32.500 0.016 0.000 1.071 22 K HN -0.678 7.536 8.250 0.021 0.048 0.453 23 K N 2.208 122.619 120.400 0.018 0.000 2.379 23 K HA -0.089 4.391 4.320 0.024 -0.145 0.284 23 K C -0.051 176.567 176.600 0.030 0.000 1.044 23 K CA 0.582 56.883 56.287 0.023 0.000 0.974 23 K CB 0.267 32.778 32.500 0.019 0.000 0.962 23 K HN 0.114 8.373 8.250 0.015 0.000 0.474 24 V N 8.560 128.498 119.914 0.040 0.000 2.495 24 V HA 0.204 4.350 4.120 0.042 0.000 0.298 24 V C -1.205 174.922 176.094 0.055 0.000 1.031 24 V CA -1.349 60.980 62.300 0.048 0.000 0.871 24 V CB 2.786 34.644 31.823 0.059 0.000 0.988 24 V HN 0.880 9.095 8.190 0.042 0.000 0.432 25 T N 8.546 123.132 114.554 0.052 0.000 2.744 25 T HA 0.328 4.859 4.350 0.059 -0.146 0.291 25 T C -1.538 173.202 174.700 0.067 0.000 0.957 25 T CA 0.852 62.985 62.100 0.055 0.000 1.002 25 T CB 0.929 69.822 68.868 0.043 0.000 0.919 25 T HN 0.261 8.834 8.240 0.047 -0.305 0.468 26 L N 9.346 130.619 121.223 0.083 0.000 2.296 26 L HA 0.821 5.392 4.340 0.085 -0.180 0.286 26 L C -1.913 175.003 176.870 0.076 0.000 1.023 26 L CA -1.565 53.331 54.840 0.094 0.000 0.812 26 L CB 3.185 45.331 42.059 0.145 0.000 1.223 26 L HN 0.866 9.148 8.230 0.087 0.000 0.421 27 T N 9.530 124.118 114.554 0.057 0.000 2.840 27 T HA 0.530 5.078 4.350 0.047 -0.170 0.287 27 T C -1.317 173.396 174.700 0.022 0.000 0.991 27 T CA -0.210 61.914 62.100 0.041 0.000 0.964 27 T CB 1.723 70.610 68.868 0.032 0.000 0.954 27 T HN 0.706 8.977 8.240 0.053 0.000 0.438 28 L N 6.419 127.655 121.223 0.022 0.000 2.307 28 L HA 0.696 5.178 4.340 -0.025 -0.156 0.284 28 L C -0.938 175.929 176.870 -0.004 0.000 1.023 28 L CA -1.191 53.648 54.840 -0.002 0.000 0.810 28 L CB 1.496 43.560 42.059 0.009 0.000 1.231 28 L HN 0.565 8.815 8.230 0.033 0.000 0.423 29 R N 1.286 121.773 120.500 -0.022 0.000 2.686 29 R HA 0.555 4.891 4.340 -0.007 0.000 0.286 29 R C -2.674 173.612 176.300 -0.024 0.000 0.969 29 R CA -3.250 52.840 56.100 -0.017 0.000 0.898 29 R CB 1.872 32.161 30.300 -0.018 0.000 1.183 29 R HN 0.393 8.640 8.270 -0.038 0.000 0.456 30 P HA 0.067 4.475 4.420 -0.019 0.000 0.269 30 P C -1.042 176.243 177.300 -0.025 0.000 1.215 30 P CA -0.210 62.880 63.100 -0.018 0.000 0.780 30 P CB 0.486 32.181 31.700 -0.009 0.000 0.898 31 A N 1.388 124.190 122.820 -0.030 0.000 2.549 31 A HA 0.352 4.653 4.320 -0.031 0.000 0.297 31 A C -2.984 174.581 177.584 -0.032 0.000 1.061 31 A CA -2.565 49.450 52.037 -0.035 0.000 0.690 31 A CB 1.499 20.469 19.000 -0.050 0.000 1.287 31 A HN -0.131 8.002 8.150 -0.028 0.000 0.402 32 P HA 0.001 4.407 4.420 -0.023 0.000 0.274 32 P C -0.983 176.296 177.300 -0.035 0.000 1.260 32 P CA -0.714 62.370 63.100 -0.028 0.000 0.793 32 P CB 1.094 32.779 31.700 -0.025 0.000 1.048 33 A N -1.340 121.461 122.820 -0.031 0.000 2.483 33 A HA -0.280 4.016 4.320 -0.040 0.000 0.238 33 A C 0.142 177.698 177.584 -0.046 0.000 1.070 33 A CA 1.177 53.192 52.037 -0.037 0.000 0.770 33 A CB 0.408 19.391 19.000 -0.029 0.000 1.008 33 A HN -0.008 8.127 8.150 -0.026 0.000 0.497 34 N N -3.004 115.661 118.700 -0.058 0.000 2.936 34 N HA -0.314 4.384 4.740 -0.070 0.000 0.236 34 N C 0.376 175.845 175.510 -0.068 0.000 0.930 34 N CA 2.485 55.497 53.050 -0.063 0.000 0.966 34 N CB -0.935 37.522 38.487 -0.051 0.000 1.090 34 N HN 0.348 9.030 8.380 -0.062 -0.340 0.592 35 T N -3.191 111.322 114.554 -0.068 0.000 3.043 35 T HA -0.101 4.213 4.350 -0.060 0.000 0.263 35 T C 0.351 174.996 174.700 -0.092 0.000 1.094 35 T CA 0.667 62.726 62.100 -0.068 0.000 1.127 35 T CB 0.741 69.575 68.868 -0.057 0.000 0.905 35 T HN -0.711 7.413 8.240 -0.065 0.077 0.490 36 G N 0.758 109.486 108.800 -0.120 0.000 2.553 36 G HA2 -0.330 3.709 3.960 -0.206 0.000 0.242 36 G HA3 -0.330 3.521 3.960 -0.182 0.000 0.242 36 G C -2.157 172.651 174.900 -0.153 0.000 1.277 36 G CA -0.407 44.591 45.100 -0.170 0.000 0.910 36 G HN -0.354 8.146 8.290 -0.114 -0.279 0.576 37 V N 1.330 121.138 119.914 -0.178 0.000 2.407 37 V HA 0.321 4.472 4.120 -0.184 -0.142 0.278 37 V C -0.771 175.238 176.094 -0.141 0.000 1.037 37 V CA -0.558 61.636 62.300 -0.177 0.000 0.900 37 V CB 0.993 32.713 31.823 -0.172 0.000 0.983 37 V HN 0.169 8.234 8.190 -0.208 0.000 0.459 38 I N 6.413 126.873 120.570 -0.184 0.000 2.439 38 I HA 0.293 4.467 4.170 0.006 0.000 0.285 38 I C -1.625 174.400 176.117 -0.153 0.000 1.021 38 I CA -2.337 58.912 61.300 -0.085 0.000 1.091 38 I CB 1.607 39.575 38.000 -0.054 0.000 1.242 38 I HN 0.176 8.244 8.210 -0.236 0.000 0.439 39 Y N 7.321 127.659 120.300 0.063 0.000 2.308 39 Y HA 0.322 5.049 4.550 0.036 -0.156 0.329 39 Y C -1.200 174.819 175.900 0.199 0.000 1.111 39 Y CA -0.352 57.795 58.100 0.078 0.000 1.179 39 Y CB 1.919 40.387 38.460 0.014 0.000 1.201 39 Y HN 0.062 8.554 8.280 0.353 0.000 0.483 40 R N 2.232 122.895 120.500 0.270 0.000 2.575 40 R HA 0.863 5.602 4.340 0.329 -0.203 0.293 40 R C -1.674 174.757 176.300 0.218 0.000 0.983 40 R CA -1.905 54.342 56.100 0.245 0.000 0.887 40 R CB 4.370 34.737 30.300 0.111 0.000 1.184 40 R HN 0.910 9.303 8.270 0.205 0.000 0.445 41 R N 6.520 127.182 120.500 0.270 0.000 2.229 41 R HA 0.605 5.201 4.340 0.139 -0.172 0.328 41 R C 0.299 176.668 176.300 0.116 0.000 1.009 41 R CA -0.661 55.549 56.100 0.184 0.000 0.864 41 R CB 1.136 31.577 30.300 0.235 0.000 1.085 41 R HN 0.265 8.750 8.270 0.358 0.000 0.453 42 T N 1.802 116.404 114.554 0.080 0.000 3.069 42 T HA 0.261 4.642 4.350 0.052 0.000 0.252 42 T C 0.286 175.013 174.700 0.045 0.000 1.053 42 T CA -0.126 62.007 62.100 0.055 0.000 0.964 42 T CB 0.328 69.223 68.868 0.044 0.000 1.005 42 T HN 0.362 8.648 8.240 0.076 0.000 0.532 43 D N 1.506 121.935 120.400 0.049 0.000 2.183 43 D HA -0.231 4.427 4.640 0.031 0.000 0.203 43 D C -0.077 176.244 176.300 0.035 0.000 0.969 43 D CA 1.637 55.659 54.000 0.037 0.000 0.842 43 D CB -0.912 39.909 40.800 0.034 0.000 0.957 43 D HN -0.041 8.364 8.370 0.058 0.000 0.484 44 L N 0.142 121.393 121.223 0.046 0.000 2.417 44 L HA 0.046 4.404 4.340 0.030 0.000 0.268 44 L C -0.846 176.041 176.870 0.027 0.000 1.158 44 L CA 0.151 55.014 54.840 0.038 0.000 0.819 44 L CB 0.691 42.782 42.059 0.054 0.000 1.112 44 L HN -0.522 7.744 8.230 0.060 0.000 0.458 45 N N 0.866 119.576 118.700 0.016 0.000 2.491 45 N HA 0.279 5.025 4.740 0.011 0.000 0.274 45 N C -1.788 173.723 175.510 0.002 0.000 1.023 45 N CA -2.465 50.590 53.050 0.009 0.000 0.902 45 N CB 1.434 39.925 38.487 0.007 0.000 1.267 45 N HN 0.108 8.496 8.380 0.014 0.000 0.503 46 P HA 0.527 4.949 4.420 0.003 0.000 0.274 46 P C -2.879 174.425 177.300 0.006 0.000 1.256 46 P CA -1.146 61.955 63.100 0.001 0.000 0.795 46 P CB -0.627 31.070 31.700 -0.006 0.000 1.038 47 P HA 0.062 4.749 4.420 0.038 -0.245 0.268 47 P C -1.376 175.923 177.300 -0.001 0.000 1.208 47 P CA -0.218 62.895 63.100 0.021 0.000 0.777 47 P CB 1.055 32.769 31.700 0.023 0.000 0.875 48 V N 2.008 121.929 119.914 0.011 0.000 2.495 48 V HA 0.112 4.149 4.120 -0.139 0.000 0.298 48 V C -1.273 174.734 176.094 -0.145 0.000 1.031 48 V CA -1.051 61.182 62.300 -0.111 0.000 0.871 48 V CB 2.864 34.594 31.823 -0.155 0.000 0.988 48 V HN -0.076 8.154 8.190 0.066 0.000 0.432 49 D N 5.402 125.644 120.400 -0.264 0.000 2.163 49 D HA 0.319 5.095 4.640 0.015 -0.127 0.248 49 D C -1.012 175.066 176.300 -0.371 0.000 1.035 49 D CA -0.767 53.139 54.000 -0.157 0.000 0.872 49 D CB 2.083 42.830 40.800 -0.087 0.000 1.183 49 D HN 0.223 8.427 8.370 -0.278 0.000 0.445 50 F N 1.994 121.967 119.950 0.040 0.000 2.564 50 F HA 0.380 4.915 4.527 0.013 0.000 0.368 50 F C -2.649 173.188 175.800 0.062 0.000 1.127 50 F CA -2.385 55.640 58.000 0.041 0.000 1.170 50 F CB 1.565 40.594 39.000 0.049 0.000 1.397 50 F HN 0.557 9.047 8.300 0.317 0.000 0.493 51 P HA -0.100 4.480 4.420 0.060 -0.124 0.263 51 P C -1.181 176.175 177.300 0.094 0.000 1.195 51 P CA -0.514 62.630 63.100 0.073 0.000 0.762 51 P CB -0.018 31.686 31.700 0.006 0.000 0.799 52 A N 4.444 127.319 122.820 0.092 0.000 2.515 52 A HA -0.218 4.158 4.320 0.094 0.000 0.263 52 A C -1.237 176.326 177.584 -0.036 0.000 1.096 52 A CA 1.249 53.322 52.037 0.059 0.000 0.769 52 A CB 0.311 19.343 19.000 0.053 0.000 1.040 52 A HN -0.114 8.084 8.150 0.080 0.000 0.505 53 D N 2.437 122.820 120.400 -0.028 0.000 2.927 53 D HA 0.037 4.701 4.640 -0.071 -0.066 0.219 53 D C -0.155 176.120 176.300 -0.042 0.000 1.248 53 D CA -0.845 53.127 54.000 -0.045 0.000 0.861 53 D CB 3.208 43.994 40.800 -0.023 0.000 1.677 53 D HN -0.459 7.904 8.370 -0.011 0.000 0.511 54 A N 5.035 127.822 122.820 -0.054 0.000 1.978 54 A HA -0.224 4.073 4.320 -0.037 0.000 0.220 54 A C 1.686 179.259 177.584 -0.019 0.000 1.170 54 A CA 2.763 54.776 52.037 -0.040 0.000 0.636 54 A CB 0.143 19.112 19.000 -0.050 0.000 0.810 54 A HN 0.652 8.761 8.150 -0.068 0.000 0.448 55 K N -3.393 116.997 120.400 -0.016 0.000 2.365 55 K HA -0.200 4.120 4.320 -0.001 0.000 0.199 55 K C 1.331 177.930 176.600 -0.002 0.000 1.045 55 K CA 2.349 58.632 56.287 -0.005 0.000 0.962 55 K CB 0.055 32.552 32.500 -0.004 0.000 0.759 55 K HN -0.253 8.261 8.250 -0.021 -0.277 0.469 56 S N -1.323 114.375 115.700 -0.003 0.000 2.575 56 S HA 0.024 4.501 4.470 0.013 0.000 0.215 56 S C -0.983 173.613 174.600 -0.006 0.000 0.966 56 S CA 0.143 58.349 58.200 0.009 0.000 0.911 56 S CB 0.725 63.944 63.200 0.031 0.000 0.780 56 S HN -0.589 7.558 8.310 -0.008 0.158 0.514 57 V N 2.950 122.851 119.914 -0.021 0.000 2.686 57 V HA -0.083 4.143 4.120 -0.067 -0.147 0.295 57 V C -0.318 175.758 176.094 -0.030 0.000 1.055 57 V CA 1.047 63.322 62.300 -0.042 0.000 1.050 57 V CB 0.606 32.408 31.823 -0.035 0.000 0.984 57 V HN -1.067 7.059 8.190 -0.016 0.054 0.482 58 R N 4.418 124.888 120.500 -0.051 0.000 2.575 58 R HA 0.372 4.704 4.340 -0.013 0.000 0.293 58 R C -2.358 173.912 176.300 -0.050 0.000 0.983 58 R CA -2.643 53.437 56.100 -0.034 0.000 0.887 58 R CB 3.510 33.791 30.300 -0.031 0.000 1.184 58 R HN 0.260 8.483 8.270 -0.079 0.000 0.445 59 D N 3.367 123.759 120.400 -0.012 0.000 2.494 59 D HA 0.083 4.689 4.640 -0.056 0.000 0.217 59 D C 0.024 176.331 176.300 0.011 0.000 1.153 59 D CA -1.146 52.853 54.000 -0.001 0.000 0.954 59 D CB 0.082 40.930 40.800 0.080 0.000 1.034 59 D HN 0.238 8.613 8.370 0.009 0.000 0.518 60 T N 0.434 114.979 114.554 -0.016 0.000 2.813 60 T HA 0.044 4.405 4.350 0.018 0.000 0.297 60 T C 0.369 175.095 174.700 0.042 0.000 1.036 60 T CA -0.868 61.240 62.100 0.012 0.000 1.044 60 T CB 0.911 69.781 68.868 0.004 0.000 0.993 60 T HN -0.504 7.706 8.240 -0.050 0.000 0.535 61 M N 0.524 120.159 119.600 0.059 0.000 2.106 61 M HA -0.266 4.254 4.480 0.068 0.000 0.259 61 M C -1.058 175.278 176.300 0.060 0.000 1.068 61 M CA 2.960 58.300 55.300 0.066 0.000 1.100 61 M CB 0.027 32.670 32.600 0.071 0.000 1.351 61 M HN 0.070 8.395 8.290 0.058 0.000 0.404 62 L N -2.065 119.193 121.223 0.059 0.000 2.262 62 L HA 0.156 4.492 4.340 -0.007 0.000 0.288 62 L C -0.439 176.426 176.870 -0.008 0.000 1.035 62 L CA -1.110 53.731 54.840 0.001 0.000 0.820 62 L CB -0.698 41.294 42.059 -0.113 0.000 1.204 62 L HN -0.368 7.920 8.230 0.096 0.000 0.424 63 C N -0.249 119.038 119.300 -0.021 0.000 0.168 63 C HA -0.414 4.057 4.460 -0.075 -0.055 0.017 63 C C -0.445 174.386 174.990 -0.265 0.000 0.171 63 C CA 1.413 60.355 59.018 -0.126 0.000 0.499 63 C CB -0.429 27.213 27.740 -0.162 0.000 3.212 63 C HN 0.949 9.193 8.230 0.023 0.000 1.118 64 T N -1.569 112.782 114.554 -0.338 0.000 2.838 64 T HA 0.515 4.719 4.350 -0.242 0.000 0.292 64 T C -2.004 172.552 174.700 -0.239 0.000 1.113 64 T CA -1.335 60.577 62.100 -0.314 0.000 1.008 64 T CB 3.242 71.848 68.868 -0.436 0.000 1.259 64 T HN -0.073 8.203 8.240 -0.324 -0.231 0.520 65 C N -2.464 116.705 119.300 -0.219 0.000 3.288 65 C HA 0.866 5.257 4.460 -0.302 -0.112 0.318 65 C C -2.442 172.409 174.990 -0.231 0.000 1.356 65 C CA -2.544 56.325 59.018 -0.248 0.000 1.359 65 C CB 3.685 31.297 27.740 -0.214 0.000 1.688 65 C HN 0.205 8.319 8.230 -0.193 0.000 0.467 66 L N -0.470 120.575 121.223 -0.297 0.000 2.344 66 L HA 0.824 5.280 4.340 -0.109 -0.181 0.272 66 L C -0.457 176.363 176.870 -0.083 0.000 1.035 66 L CA -1.582 53.152 54.840 -0.177 0.000 0.807 66 L CB 2.333 44.290 42.059 -0.170 0.000 1.237 66 L HN 0.089 8.076 8.230 -0.406 0.000 0.442 67 V N -5.052 114.923 119.914 0.102 0.000 2.914 67 V HA 1.004 5.519 4.120 0.291 -0.220 0.314 67 V C -1.605 174.641 176.094 0.253 0.000 1.084 67 V CA -3.139 59.285 62.300 0.208 0.000 0.963 67 V CB 3.211 35.085 31.823 0.085 0.000 1.025 67 V HN -0.174 8.068 8.190 0.087 0.000 0.432 68 N N 2.783 121.609 118.700 0.211 0.000 2.566 68 N HA 0.149 4.864 4.740 -0.042 0.000 0.299 68 N C 1.221 176.687 175.510 -0.072 0.000 1.277 68 N CA -1.719 51.311 53.050 -0.033 0.000 0.965 68 N CB 1.571 39.909 38.487 -0.250 0.000 1.142 68 N HN -0.317 8.238 8.380 0.293 0.000 0.596 69 E N -0.488 119.585 120.200 -0.210 0.000 2.409 69 E HA -0.174 4.079 4.350 -0.161 0.000 0.198 69 E C -0.050 176.375 176.600 -0.292 0.000 1.024 69 E CA 2.647 58.882 56.400 -0.275 0.000 0.861 69 E CB -0.973 28.500 29.700 -0.378 0.000 0.788 69 E HN 0.337 8.539 8.360 -0.263 0.000 0.521 70 H N -1.701 117.362 119.070 -0.012 0.000 2.549 70 H HA 0.223 4.777 4.556 -0.003 0.000 0.279 70 H C -1.067 174.270 175.328 0.015 0.000 1.018 70 H CA -0.832 55.215 56.048 -0.003 0.000 1.175 70 H CB 0.076 29.831 29.762 -0.012 0.000 1.485 70 H HN -0.663 7.695 8.280 -0.157 -0.172 0.543 71 D N -5.191 115.271 120.400 0.104 0.000 3.076 71 D HA -0.465 4.222 4.640 0.078 0.000 0.218 71 D C -0.852 175.514 176.300 0.110 0.000 1.156 71 D CA 2.083 56.136 54.000 0.089 0.000 0.921 71 D CB -1.945 38.893 40.800 0.062 0.000 1.113 71 D HN -0.267 8.019 8.370 0.064 0.122 0.418 72 V N -1.404 118.606 119.914 0.160 0.000 2.843 72 V HA -0.172 4.030 4.120 0.136 0.000 0.305 72 V C -0.766 175.504 176.094 0.294 0.000 1.065 72 V CA 1.163 63.583 62.300 0.200 0.000 1.116 72 V CB 0.891 32.848 31.823 0.223 0.000 0.968 72 V HN -0.516 7.925 8.190 0.169 -0.150 0.487 73 R N 2.670 123.254 120.500 0.141 0.000 2.807 73 R HA 0.940 5.434 4.340 -0.098 -0.212 0.276 73 R C -1.326 174.712 176.300 -0.436 0.000 0.979 73 R CA -2.109 53.924 56.100 -0.111 0.000 0.928 73 R CB 3.762 33.981 30.300 -0.135 0.000 1.191 73 R HN 0.098 8.430 8.270 0.103 0.000 0.471 74 I N 1.272 121.366 120.570 -0.794 0.000 2.499 74 I HA 0.611 4.685 4.170 -0.462 -0.180 0.288 74 I C -2.479 173.355 176.117 -0.472 0.000 1.048 74 I CA -1.882 59.013 61.300 -0.675 0.000 1.062 74 I CB 3.603 41.047 38.000 -0.927 0.000 1.238 74 I HN 0.036 7.747 8.210 -0.832 0.000 0.426 75 S N 8.974 124.486 115.700 -0.313 0.000 2.681 75 S HA 0.691 5.117 4.470 -0.258 -0.110 0.299 75 S C -0.310 174.183 174.600 -0.178 0.000 1.113 75 S CA -1.684 56.378 58.200 -0.229 0.000 1.013 75 S CB 1.863 64.954 63.200 -0.181 0.000 1.076 75 S HN 0.175 8.326 8.310 -0.264 0.000 0.534 76 T N -0.026 114.433 114.554 -0.157 0.000 3.886 76 T HA -0.357 3.977 4.350 -0.217 -0.115 0.371 76 T C 0.009 174.576 174.700 -0.222 0.000 0.760 76 T CA 1.695 63.693 62.100 -0.170 0.000 1.966 76 T CB -2.438 66.393 68.868 -0.061 0.000 1.793 76 T HN 0.849 8.997 8.240 -0.154 0.000 0.798 77 V N -7.429 112.289 119.914 -0.326 0.000 3.590 77 V HA 0.051 3.974 4.120 -0.329 0.000 0.265 77 V C 0.769 176.725 176.094 -0.230 0.000 1.239 77 V CA 1.339 63.397 62.300 -0.403 0.000 1.117 77 V CB 0.533 31.834 31.823 -0.870 0.000 0.818 77 V HN -0.397 7.584 8.190 -0.349 0.000 0.451 78 E N 0.745 120.820 120.200 -0.210 0.000 2.208 78 E HA -0.305 4.027 4.350 -0.030 0.000 0.193 78 E C 0.934 177.615 176.600 0.134 0.000 0.988 78 E CA 2.806 59.171 56.400 -0.059 0.000 0.828 78 E CB -1.160 28.496 29.700 -0.074 0.000 0.763 78 E HN 0.569 8.761 8.360 -0.281 0.000 0.478 79 H N -0.189 118.944 119.070 0.104 0.000 2.372 79 H HA -0.140 4.545 4.556 0.215 0.000 0.301 79 H C 1.765 177.193 175.328 0.167 0.000 1.065 79 H CA 1.711 57.892 56.048 0.221 0.000 1.364 79 H CB 0.309 30.295 29.762 0.373 0.000 1.406 79 H HN -0.211 8.054 8.280 -0.026 0.000 0.521 80 L N -0.552 120.641 121.223 -0.050 0.000 2.046 80 L HA -0.292 3.632 4.340 -0.693 0.000 0.208 80 L C 1.144 177.971 176.870 -0.071 0.000 1.077 80 L CA 2.497 57.037 54.840 -0.499 0.000 0.747 80 L CB -0.405 41.147 42.059 -0.845 0.000 0.896 80 L HN -0.190 7.989 8.230 -0.084 0.000 0.432 81 N N -1.161 117.582 118.700 0.072 0.000 2.094 81 N HA -0.422 4.451 4.740 0.222 0.000 0.191 81 N C 1.802 177.376 175.510 0.106 0.000 1.023 81 N CA 3.541 56.699 53.050 0.180 0.000 0.857 81 N CB -0.119 38.498 38.487 0.216 0.000 1.013 81 N HN -0.221 8.199 8.380 0.066 0.000 0.426 82 A N -0.770 122.118 122.820 0.112 0.000 1.902 82 A HA -0.352 3.952 4.320 -0.027 0.000 0.217 82 A C 1.640 179.124 177.584 -0.167 0.000 1.181 82 A CA 3.145 55.208 52.037 0.043 0.000 0.623 82 A CB -0.650 18.501 19.000 0.252 0.000 0.818 82 A HN -0.404 7.755 8.150 0.164 0.090 0.443 83 A N -1.770 121.090 122.820 0.067 0.000 1.972 83 A HA -0.273 4.102 4.320 0.093 0.000 0.219 83 A C 2.058 179.566 177.584 -0.126 0.000 1.169 83 A CA 2.796 54.875 52.037 0.069 0.000 0.635 83 A CB -0.910 18.256 19.000 0.278 0.000 0.810 83 A HN -0.574 7.604 8.150 0.177 0.078 0.446 84 L N -2.070 119.067 121.223 -0.144 0.000 2.046 84 L HA -0.442 3.826 4.340 -0.119 0.000 0.208 84 L C 2.148 178.706 176.870 -0.519 0.000 1.077 84 L CA 2.925 57.648 54.840 -0.195 0.000 0.747 84 L CB -0.564 41.490 42.059 -0.009 0.000 0.896 84 L HN -0.389 7.679 8.230 -0.086 0.110 0.432 85 A N -1.594 120.688 122.820 -0.896 0.000 1.902 85 A HA -0.253 3.120 4.320 -1.579 0.000 0.217 85 A C 2.819 180.166 177.584 -0.395 0.000 1.181 85 A CA 2.792 54.167 52.037 -1.103 0.000 0.623 85 A CB -0.867 17.545 19.000 -0.980 0.000 0.818 85 A HN -0.413 7.285 8.150 -0.753 0.000 0.443 86 G N -1.216 107.278 108.800 -0.510 0.000 2.440 86 G HA2 -0.283 3.539 3.960 -0.231 0.000 0.218 86 G HA3 -0.283 3.138 3.960 -0.899 0.000 0.218 86 G C 0.857 175.699 174.900 -0.096 0.000 1.154 86 G CA 1.763 46.594 45.100 -0.448 0.000 0.767 86 G HN -0.350 7.505 8.290 -0.725 0.000 0.552 87 L N -2.494 118.672 121.223 -0.095 0.000 2.611 87 L HA 0.027 4.377 4.340 0.017 0.000 0.229 87 L C -0.347 176.519 176.870 -0.006 0.000 1.137 87 L CA -0.743 54.089 54.840 -0.014 0.000 0.901 87 L CB 0.006 42.066 42.059 0.001 0.000 1.098 87 L HN -0.641 7.497 8.230 -0.154 0.000 0.456 88 G N -0.642 108.136 108.800 -0.036 0.000 2.314 88 G HA2 -0.341 3.594 3.960 -0.042 0.000 0.292 88 G HA3 -0.341 3.650 3.960 0.052 0.000 0.292 88 G C 0.019 174.908 174.900 -0.019 0.000 1.059 88 G CA 0.460 45.554 45.100 -0.011 0.000 0.982 88 G HN -0.683 7.384 8.290 -0.086 0.172 0.505 89 I N -0.841 119.700 120.570 -0.048 0.000 2.342 89 I HA -0.101 4.070 4.170 0.001 0.000 0.291 89 I C -1.758 174.399 176.117 0.067 0.000 1.010 89 I CA -1.482 59.818 61.300 -0.000 0.000 1.308 89 I CB -1.438 36.558 38.000 -0.007 0.000 1.400 89 I HN -0.267 7.881 8.210 -0.103 0.000 0.488 90 D N 4.127 124.540 120.400 0.022 0.000 2.463 90 D HA 0.191 4.852 4.640 0.036 0.000 0.237 90 D C -0.821 175.437 176.300 -0.070 0.000 1.013 90 D CA 1.421 55.413 54.000 -0.014 0.000 0.910 90 D CB 2.636 43.396 40.800 -0.065 0.000 1.080 90 D HN 0.049 8.419 8.370 -0.001 0.000 0.498 91 N N -1.771 116.894 118.700 -0.058 0.000 2.296 91 N HA 0.570 5.374 4.740 -0.097 -0.121 0.294 91 N C -1.790 173.680 175.510 -0.066 0.000 1.033 91 N CA -0.591 52.414 53.050 -0.075 0.000 0.839 91 N CB 3.667 42.114 38.487 -0.066 0.000 1.395 91 N HN -0.603 7.752 8.380 -0.041 0.000 0.479 92 I N 1.679 122.196 120.570 -0.089 0.000 2.763 92 I HA 0.394 4.650 4.170 -0.073 -0.130 0.292 92 I C -3.238 172.802 176.117 -0.129 0.000 1.610 92 I CA -0.251 60.992 61.300 -0.095 0.000 1.002 92 I CB 4.004 41.944 38.000 -0.100 0.000 1.416 92 I HN 0.640 8.789 8.210 -0.103 0.000 0.479 93 V N 6.945 126.795 119.914 -0.106 0.000 2.398 93 V HA 0.423 4.614 4.120 -0.137 -0.153 0.286 93 V C -1.449 174.570 176.094 -0.125 0.000 1.026 93 V CA -1.256 60.977 62.300 -0.111 0.000 0.868 93 V CB 2.032 33.819 31.823 -0.060 0.000 0.982 93 V HN -0.113 8.028 8.190 -0.082 0.000 0.443 94 I N 8.272 128.732 120.570 -0.184 0.000 2.382 94 I HA 0.399 4.638 4.170 -0.110 -0.135 0.285 94 I C -1.695 174.401 176.117 -0.034 0.000 1.007 94 I CA -1.061 60.142 61.300 -0.162 0.000 1.142 94 I CB 1.468 39.237 38.000 -0.384 0.000 1.289 94 I HN 0.812 8.890 8.210 -0.220 0.000 0.453 95 E N 7.515 127.722 120.200 0.010 0.000 2.183 95 E HA 0.906 5.510 4.350 0.068 -0.213 0.271 95 E C -0.815 175.823 176.600 0.064 0.000 0.919 95 E CA -2.078 54.351 56.400 0.048 0.000 0.781 95 E CB 3.164 32.886 29.700 0.036 0.000 1.140 95 E HN 0.632 8.994 8.360 0.004 0.000 0.402 96 V N -2.199 117.761 119.914 0.076 0.000 2.709 96 V HA 0.885 5.260 4.120 0.065 -0.216 0.308 96 V C -1.045 175.085 176.094 0.059 0.000 1.062 96 V CA -3.451 58.889 62.300 0.067 0.000 0.901 96 V CB 3.475 35.339 31.823 0.068 0.000 1.003 96 V HN 0.351 8.593 8.190 0.087 0.000 0.425 97 N N 3.485 122.215 118.700 0.050 0.000 2.623 97 N HA 0.038 4.804 4.740 0.044 0.000 0.263 97 N C -1.396 174.136 175.510 0.037 0.000 1.218 97 N CA -1.756 51.320 53.050 0.042 0.000 0.949 97 N CB -1.691 36.818 38.487 0.036 0.000 1.270 97 N HN -0.095 8.314 8.380 0.049 0.000 0.507 98 A N -1.672 121.170 122.820 0.037 0.000 2.564 98 A HA 0.300 4.730 4.320 0.023 -0.096 0.291 98 A C -2.715 174.876 177.584 0.012 0.000 1.102 98 A CA -1.075 50.977 52.037 0.025 0.000 0.660 98 A CB 0.213 19.229 19.000 0.027 0.000 1.283 98 A HN -0.763 7.319 8.150 0.042 0.093 0.430 99 P HA 0.149 4.540 4.420 -0.048 0.000 0.253 99 P C -1.876 175.369 177.300 -0.092 0.000 1.260 99 P CA 0.387 63.455 63.100 -0.054 0.000 0.800 99 P CB 0.504 32.163 31.700 -0.069 0.000 1.162 100 E N -6.552 113.623 120.200 -0.042 0.000 2.407 100 E HA 0.234 4.655 4.350 -0.089 -0.125 0.279 100 E C -1.710 174.897 176.600 0.013 0.000 1.012 100 E CA -2.166 54.213 56.400 -0.034 0.000 0.800 100 E CB 2.723 32.442 29.700 0.031 0.000 1.276 100 E HN -0.679 7.602 8.360 -0.012 0.072 0.452 101 I N 0.196 120.772 120.570 0.010 0.000 2.529 101 I HA 0.159 4.383 4.170 0.091 0.000 0.284 101 I C -1.200 174.993 176.117 0.127 0.000 1.082 101 I CA -3.267 58.077 61.300 0.073 0.000 1.406 101 I CB -0.947 37.079 38.000 0.044 0.000 1.405 101 I HN -0.071 8.119 8.210 -0.033 0.000 0.548 102 P HA -0.090 4.527 4.420 0.113 -0.129 0.266 102 P C -0.889 176.535 177.300 0.207 0.000 1.195 102 P CA -0.459 62.738 63.100 0.162 0.000 0.768 102 P CB 0.656 32.451 31.700 0.157 0.000 0.838 103 I N 4.852 125.496 120.570 0.124 0.000 2.761 103 I HA -0.171 4.109 4.170 0.184 0.000 0.261 103 I C 0.529 176.700 176.117 0.089 0.000 1.198 103 I CA -0.690 60.686 61.300 0.127 0.000 1.482 103 I CB 0.742 38.776 38.000 0.056 0.000 1.100 103 I HN -0.106 8.155 8.210 0.085 0.000 0.445 104 M N -3.726 115.885 119.600 0.019 0.000 7.319 104 M HA -0.497 3.946 4.480 -0.063 0.000 0.313 104 M C -0.136 176.136 176.300 -0.047 0.000 0.480 104 M CA 2.263 57.521 55.300 -0.071 0.000 1.311 104 M CB -2.582 29.862 32.600 -0.260 0.000 0.421 104 M HN -0.076 8.203 8.290 0.035 0.031 0.852 105 D N -0.565 119.791 120.400 -0.073 0.000 2.328 105 D HA 0.017 4.864 4.640 -0.036 -0.229 0.221 105 D C 1.314 177.594 176.300 -0.034 0.000 1.072 105 D CA -0.770 53.201 54.000 -0.048 0.000 0.850 105 D CB 0.439 41.203 40.800 -0.059 0.000 0.922 105 D HN 0.153 8.454 8.370 -0.115 0.000 0.516 106 G N -1.134 107.666 108.800 -0.000 0.000 2.195 106 G HA2 -0.377 3.641 3.960 0.097 0.000 0.246 106 G HA3 -0.377 3.670 3.960 -0.040 -0.111 0.246 106 G C -0.322 174.549 174.900 -0.048 0.000 0.984 106 G CA 0.535 45.643 45.100 0.013 0.000 0.633 106 G HN -0.116 8.121 8.290 0.019 0.065 0.525 107 S N -0.281 115.398 115.700 -0.036 0.000 2.753 107 S HA 0.563 5.086 4.470 -0.074 -0.098 0.302 107 S C -0.880 173.746 174.600 0.043 0.000 1.104 107 S CA -1.831 56.345 58.200 -0.040 0.000 0.968 107 S CB 2.674 65.862 63.200 -0.021 0.000 1.278 107 S HN -0.419 8.127 8.310 -0.034 -0.256 0.549 108 A N -2.262 120.614 122.820 0.092 0.000 2.220 108 A HA 0.141 4.782 4.320 0.534 0.000 0.211 108 A C 1.225 178.920 177.584 0.185 0.000 1.176 108 A CA 0.646 52.864 52.037 0.301 0.000 0.834 108 A CB 0.273 19.504 19.000 0.385 0.000 0.868 108 A HN 0.072 8.243 8.150 0.035 0.000 0.488 109 A N 0.288 123.135 122.820 0.045 0.000 1.883 109 A HA -0.130 4.194 4.320 0.008 0.000 0.217 109 A C -1.413 176.237 177.584 0.111 0.000 1.186 109 A CA 4.386 56.450 52.037 0.045 0.000 0.624 109 A CB -2.513 16.527 19.000 0.067 0.000 0.822 109 A HN -0.187 7.972 8.150 0.015 0.000 0.444 110 P HA -0.170 4.370 4.420 0.201 0.000 0.218 110 P C 1.230 178.545 177.300 0.024 0.000 1.148 110 P CA 2.625 65.725 63.100 -0.001 0.000 0.822 110 P CB -0.340 31.201 31.700 -0.265 0.000 0.784 111 F N -4.251 115.797 119.950 0.163 0.000 2.325 111 F HA -0.171 4.435 4.527 0.132 0.000 0.299 111 F C 1.883 177.745 175.800 0.103 0.000 1.090 111 F CA 2.589 60.671 58.000 0.137 0.000 1.392 111 F CB -0.879 38.208 39.000 0.145 0.000 1.053 111 F HN -0.548 7.641 8.300 -0.160 0.015 0.521 112 V N 0.833 120.873 119.914 0.210 0.000 2.261 112 V HA -0.617 3.559 4.120 0.092 0.000 0.246 112 V C 1.692 177.758 176.094 -0.048 0.000 1.047 112 V CA 4.682 66.996 62.300 0.024 0.000 1.015 112 V CB -0.217 31.506 31.823 -0.167 0.000 0.642 112 V HN -0.523 7.672 8.190 0.189 0.109 0.446 113 Y N -3.024 117.330 120.300 0.089 0.000 2.224 113 Y HA -0.349 4.236 4.550 0.057 0.000 0.289 113 Y C 2.215 178.159 175.900 0.073 0.000 1.146 113 Y CA 3.768 61.906 58.100 0.062 0.000 1.182 113 Y CB -0.864 37.615 38.460 0.032 0.000 0.983 113 Y HN -0.912 7.385 8.280 0.030 0.000 0.524 114 L N -0.183 121.189 121.223 0.247 0.000 2.017 114 L HA -0.280 4.161 4.340 0.167 0.000 0.208 114 L C 1.668 178.625 176.870 0.144 0.000 1.073 114 L CA 2.766 57.720 54.840 0.190 0.000 0.745 114 L CB -0.369 41.828 42.059 0.230 0.000 0.894 114 L HN -0.759 7.634 8.230 0.271 0.000 0.432 115 L N -2.764 118.541 121.223 0.137 0.000 2.093 115 L HA -0.480 3.908 4.340 0.080 0.000 0.208 115 L C 2.395 179.306 176.870 0.069 0.000 1.085 115 L CA 2.990 57.884 54.840 0.089 0.000 0.755 115 L CB -0.394 41.712 42.059 0.079 0.000 0.904 115 L HN -0.500 7.825 8.230 0.159 0.000 0.435 116 L N -1.698 119.567 121.223 0.070 0.000 2.083 116 L HA -0.468 3.899 4.340 0.045 0.000 0.209 116 L C 2.382 179.293 176.870 0.069 0.000 1.083 116 L CA 2.697 57.572 54.840 0.058 0.000 0.752 116 L CB -0.555 41.535 42.059 0.051 0.000 0.899 116 L HN -0.460 7.815 8.230 0.076 0.000 0.433 117 D N -1.476 118.976 120.400 0.087 0.000 2.144 117 D HA -0.234 4.449 4.640 0.071 0.000 0.199 117 D C 1.832 178.166 176.300 0.057 0.000 0.984 117 D CA 3.298 57.344 54.000 0.075 0.000 0.834 117 D CB -0.354 40.496 40.800 0.084 0.000 0.955 117 D HN -0.362 8.071 8.370 0.106 0.000 0.465 118 A N -3.778 119.075 122.820 0.056 0.000 2.016 118 A HA -0.022 4.321 4.320 0.039 0.000 0.217 118 A C 0.091 177.695 177.584 0.033 0.000 1.162 118 A CA 0.881 52.943 52.037 0.042 0.000 0.662 118 A CB 0.370 19.394 19.000 0.040 0.000 0.812 118 A HN -0.865 7.198 8.150 0.063 0.124 0.450 119 G N -3.256 105.565 108.800 0.036 0.000 2.829 119 G HA2 -0.291 3.688 3.960 0.032 0.000 0.628 119 G HA3 -0.291 3.686 3.960 0.028 0.000 0.628 119 G C -2.450 172.464 174.900 0.025 0.000 1.412 119 G CA -0.594 44.524 45.100 0.030 0.000 0.864 119 G HN -0.659 7.656 8.290 0.041 0.000 0.544 120 I N -0.377 120.207 120.570 0.024 0.000 2.433 120 I HA 0.603 4.940 4.170 0.019 -0.155 0.292 120 I C -1.779 174.350 176.117 0.019 0.000 1.001 120 I CA -2.707 58.606 61.300 0.022 0.000 1.119 120 I CB 2.205 40.221 38.000 0.026 0.000 1.289 120 I HN -0.023 8.202 8.210 0.025 0.000 0.438 121 D N 6.319 126.728 120.400 0.016 0.000 2.593 121 D HA 0.260 4.910 4.640 0.016 0.000 0.251 121 D C -1.830 174.479 176.300 0.014 0.000 1.140 121 D CA -2.177 51.831 54.000 0.014 0.000 0.855 121 D CB 2.571 43.377 40.800 0.009 0.000 1.267 121 D HN 0.252 8.630 8.370 0.013 0.000 0.532 122 E N 3.938 124.150 120.200 0.019 0.000 2.313 122 E HA 0.233 4.749 4.350 0.022 -0.153 0.276 122 E C -0.530 176.079 176.600 0.015 0.000 1.031 122 E CA -0.213 56.200 56.400 0.021 0.000 0.857 122 E CB 1.021 30.739 29.700 0.030 0.000 1.040 122 E HN 0.190 8.562 8.360 0.020 0.000 0.408 123 L N 3.093 124.323 121.223 0.012 0.000 2.325 123 L HA 0.275 4.618 4.340 0.005 0.000 0.278 123 L C -0.002 176.874 176.870 0.010 0.000 1.023 123 L CA -1.312 53.532 54.840 0.006 0.000 0.811 123 L CB 1.857 43.914 42.059 -0.004 0.000 1.249 123 L HN 0.306 8.543 8.230 0.013 0.000 0.431 124 N N 4.513 123.218 118.700 0.008 0.000 3.027 124 N HA -0.081 4.668 4.740 0.016 0.000 0.309 124 N C -1.343 174.170 175.510 0.006 0.000 1.222 124 N CA 0.571 53.627 53.050 0.010 0.000 1.187 124 N CB -1.213 37.279 38.487 0.008 0.000 1.458 124 N HN 0.343 8.726 8.380 0.005 0.000 0.535 125 C N 1.149 120.454 119.300 0.008 0.000 2.989 125 C HA 0.159 4.619 4.460 -0.000 0.000 0.397 125 C C -2.504 172.492 174.990 0.010 0.000 1.022 125 C CA -1.055 57.963 59.018 0.001 0.000 1.232 125 C CB 3.033 30.765 27.740 -0.013 0.000 1.638 125 C HN 0.161 8.349 8.230 0.014 0.051 0.534 126 A N 7.030 129.858 122.820 0.013 0.000 2.540 126 A HA -0.072 4.437 4.320 0.064 -0.150 0.239 126 A C -1.207 176.393 177.584 0.026 0.000 1.061 126 A CA 0.775 52.834 52.037 0.037 0.000 0.758 126 A CB 0.469 19.486 19.000 0.027 0.000 0.991 126 A HN 0.454 8.607 8.150 0.005 0.000 0.502 127 K N 4.344 124.788 120.400 0.073 0.000 2.297 127 K HA 0.044 4.343 4.320 -0.035 0.000 0.286 127 K C -0.724 175.888 176.600 0.020 0.000 1.053 127 K CA -0.196 56.099 56.287 0.014 0.000 0.940 127 K CB 1.062 33.573 32.500 0.019 0.000 1.019 127 K HN -0.112 8.215 8.250 0.128 0.000 0.475 128 K N 4.750 125.104 120.400 -0.078 0.000 2.183 128 K HA 0.300 4.787 4.320 0.042 -0.141 0.274 128 K C -0.887 175.638 176.600 -0.125 0.000 1.009 128 K CA -0.744 55.503 56.287 -0.067 0.000 0.888 128 K CB 1.258 33.574 32.500 -0.306 0.000 1.078 128 K HN 0.133 8.342 8.250 -0.069 0.000 0.459 129 F N 1.621 121.578 119.950 0.012 0.000 2.470 129 F HA 0.285 4.898 4.527 -0.034 -0.107 0.329 129 F C -0.076 175.739 175.800 0.025 0.000 1.072 129 F CA -1.698 56.294 58.000 -0.013 0.000 0.989 129 F CB 3.204 42.193 39.000 -0.017 0.000 1.193 129 F HN 0.164 8.714 8.300 0.417 0.000 0.481 130 V N 1.918 121.892 119.914 0.099 0.000 2.320 130 V HA 0.068 4.360 4.120 0.080 -0.124 0.265 130 V C -1.148 174.968 176.094 0.036 0.000 1.048 130 V CA -0.463 61.837 62.300 0.001 0.000 0.865 130 V CB 0.374 32.031 31.823 -0.278 0.000 1.043 130 V HN 0.267 8.477 8.190 0.032 0.000 0.474 131 R N 8.929 129.498 120.500 0.115 0.000 2.216 131 R HA 0.202 4.747 4.340 0.105 -0.142 0.332 131 R C -0.644 175.717 176.300 0.101 0.000 1.056 131 R CA -1.150 55.012 56.100 0.103 0.000 0.901 131 R CB 1.360 31.714 30.300 0.091 0.000 1.039 131 R HN 0.311 8.669 8.270 0.147 0.000 0.456 132 I N 6.503 127.115 120.570 0.071 0.000 2.648 132 I HA -0.199 4.026 4.170 0.093 0.000 0.284 132 I C 0.378 176.567 176.117 0.120 0.000 1.153 132 I CA 0.185 61.537 61.300 0.088 0.000 1.426 132 I CB -1.011 37.046 38.000 0.094 0.000 1.381 132 I HN 0.015 8.262 8.210 0.061 0.000 0.571 133 K N 4.121 124.587 120.400 0.111 0.000 2.554 133 K HA 0.253 4.630 4.320 0.094 0.000 0.211 133 K C -0.389 176.260 176.600 0.081 0.000 1.226 133 K CA -0.764 55.574 56.287 0.085 0.000 1.025 133 K CB 2.381 34.907 32.500 0.044 0.000 1.021 133 K HN 0.415 8.737 8.250 0.119 0.000 0.600 134 E N -0.109 120.151 120.200 0.101 0.000 2.340 134 E HA 0.211 4.611 4.350 0.083 0.000 0.273 134 E C -1.678 174.998 176.600 0.127 0.000 0.891 134 E CA -0.911 55.546 56.400 0.095 0.000 0.757 134 E CB 2.898 32.644 29.700 0.076 0.000 1.231 134 E HN -0.734 7.697 8.360 0.118 0.000 0.439 135 T N 2.858 117.481 114.554 0.115 0.000 2.888 135 T HA -0.008 4.634 4.350 0.170 -0.190 0.301 135 T C -0.513 174.266 174.700 0.132 0.000 1.001 135 T CA 1.166 63.344 62.100 0.131 0.000 1.147 135 T CB 0.547 69.468 68.868 0.088 0.000 0.931 135 T HN 0.125 8.421 8.240 0.093 0.000 0.541 136 V N 5.989 126.009 119.914 0.177 0.000 2.577 136 V HA 0.286 4.484 4.120 0.131 0.000 0.303 136 V C -2.099 174.101 176.094 0.177 0.000 1.042 136 V CA -1.437 60.965 62.300 0.169 0.000 0.872 136 V CB 3.297 35.238 31.823 0.197 0.000 0.998 136 V HN 0.248 8.570 8.190 0.220 0.000 0.423 137 R N 7.248 127.827 120.500 0.131 0.000 2.628 137 R HA 0.857 5.460 4.340 0.161 -0.166 0.288 137 R C -1.618 174.756 176.300 0.124 0.000 0.980 137 R CA -1.711 54.465 56.100 0.127 0.000 0.891 137 R CB 3.063 33.400 30.300 0.062 0.000 1.188 137 R HN 0.203 8.539 8.270 0.110 0.000 0.450 138 V N 1.324 121.329 119.914 0.153 0.000 2.914 138 V HA 0.644 4.831 4.120 0.112 0.000 0.314 138 V C -1.884 174.304 176.094 0.157 0.000 1.084 138 V CA -2.103 60.278 62.300 0.135 0.000 0.963 138 V CB 3.699 35.602 31.823 0.135 0.000 1.025 138 V HN 0.613 8.911 8.190 0.180 0.000 0.432 139 E N 0.724 121.001 120.200 0.128 0.000 2.393 139 E HA 0.502 5.092 4.350 0.191 -0.126 0.273 139 E C -2.208 174.457 176.600 0.107 0.000 0.918 139 E CA -1.359 55.127 56.400 0.143 0.000 0.773 139 E CB 4.112 33.886 29.700 0.123 0.000 1.275 139 E HN 0.201 8.625 8.360 0.106 0.000 0.451 140 D N 0.172 120.635 120.400 0.106 0.000 2.445 140 D HA 0.151 4.832 4.640 0.069 0.000 0.236 140 D C -0.458 175.886 176.300 0.074 0.000 1.315 140 D CA -0.350 53.696 54.000 0.076 0.000 0.924 140 D CB 0.811 41.648 40.800 0.061 0.000 1.447 140 D HN 0.010 8.457 8.370 0.129 0.000 0.532 141 G N 6.947 115.791 108.800 0.073 0.000 2.561 141 G HA2 -0.420 3.578 3.960 0.064 0.000 0.289 141 G HA3 -0.420 3.578 3.960 0.063 0.000 0.289 141 G C -0.510 174.456 174.900 0.110 0.000 1.169 141 G CA 1.324 46.468 45.100 0.073 0.000 0.980 141 G HN 0.208 8.538 8.290 0.068 0.000 0.550 142 D N 3.669 124.141 120.400 0.121 0.000 2.328 142 D HA -0.051 4.714 4.640 0.209 0.000 0.226 142 D C -0.034 176.447 176.300 0.302 0.000 1.066 142 D CA 0.094 54.216 54.000 0.204 0.000 0.861 142 D CB -0.539 40.375 40.800 0.190 0.000 0.912 142 D HN 0.319 8.745 8.370 0.094 0.000 0.521 143 K N -0.479 120.025 120.400 0.174 0.000 2.110 143 K HA 0.330 4.773 4.320 0.005 -0.120 0.263 143 K C -0.977 175.757 176.600 0.222 0.000 0.975 143 K CA -0.621 55.712 56.287 0.077 0.000 0.895 143 K CB 1.866 34.333 32.500 -0.056 0.000 1.060 143 K HN -0.647 7.607 8.250 0.128 0.072 0.448 144 W N -2.200 119.118 121.300 0.029 0.000 3.074 144 W HA 0.714 5.510 4.660 -0.001 -0.137 0.332 144 W C -3.103 173.370 176.519 -0.076 0.000 1.253 144 W CA -1.922 55.419 57.345 -0.006 0.000 1.180 144 W CB 3.342 32.802 29.460 0.000 0.000 1.445 144 W HN 0.218 8.207 8.180 -0.319 0.000 0.573 145 A N -1.976 120.992 122.820 0.246 0.000 2.517 145 A HA 0.867 5.241 4.320 -0.202 -0.176 0.297 145 A C -2.773 174.916 177.584 0.175 0.000 1.050 145 A CA -0.281 51.771 52.037 0.026 0.000 0.694 145 A CB 3.653 22.645 19.000 -0.013 0.000 1.277 145 A HN 0.185 8.539 8.150 0.340 0.000 0.400 146 E N 0.916 121.152 120.200 0.061 0.000 2.413 146 E HA 1.093 5.714 4.350 0.192 -0.156 0.277 146 E C -2.471 174.158 176.600 0.048 0.000 0.958 146 E CA -2.076 54.402 56.400 0.130 0.000 0.779 146 E CB 4.166 33.959 29.700 0.155 0.000 1.278 146 E HN 0.360 8.639 8.360 -0.135 0.000 0.456 147 F N -0.405 119.657 119.950 0.187 0.000 2.508 147 F HA 0.794 5.686 4.527 0.267 -0.205 0.325 147 F C -1.034 174.872 175.800 0.176 0.000 1.090 147 F CA -1.734 56.404 58.000 0.230 0.000 0.945 147 F CB 4.427 43.579 39.000 0.255 0.000 1.156 147 F HN 0.302 8.832 8.300 0.385 0.000 0.463 148 K N 1.845 122.524 120.400 0.464 0.000 2.435 148 K HA 0.523 5.002 4.320 0.265 0.000 0.251 148 K C -2.650 174.158 176.600 0.346 0.000 0.954 148 K CA -3.019 53.453 56.287 0.308 0.000 0.820 148 K CB 2.814 35.431 32.500 0.194 0.000 1.292 148 K HN 0.046 8.625 8.250 0.548 0.000 0.436 149 P HA -0.139 4.434 4.420 0.255 0.000 0.265 149 P C -1.388 176.125 177.300 0.356 0.000 1.187 149 P CA 0.505 63.761 63.100 0.259 0.000 0.766 149 P CB 0.134 31.940 31.700 0.176 0.000 0.820 150 Y N 4.101 124.511 120.300 0.183 0.000 2.232 150 Y HA -0.094 4.543 4.550 0.144 0.000 0.316 150 Y C -2.165 173.850 175.900 0.191 0.000 1.345 150 Y CA -0.376 57.832 58.100 0.179 0.000 1.315 150 Y CB 1.839 40.425 38.460 0.210 0.000 1.295 150 Y HN -0.172 8.293 8.280 0.308 0.000 0.412 151 N N 7.874 126.350 118.700 -0.375 0.000 2.971 151 N HA 0.000 4.682 4.740 -0.097 0.000 0.294 151 N C -1.324 173.883 175.510 -0.504 0.000 1.210 151 N CA -0.638 52.237 53.050 -0.292 0.000 1.157 151 N CB -1.386 37.002 38.487 -0.165 0.000 1.450 151 N HN 0.322 8.500 8.380 -0.336 0.000 0.527 152 G N 0.461 109.073 108.800 -0.315 0.000 2.336 152 G HA2 -0.016 3.935 3.960 -0.015 0.000 0.286 152 G HA3 -0.016 3.791 3.960 -0.254 0.000 0.286 152 G C -3.532 171.631 174.900 0.438 0.000 1.269 152 G CA 0.003 45.054 45.100 -0.083 0.000 0.873 152 G HN -0.448 7.762 8.290 -0.074 0.035 0.494 153 F N 0.262 120.376 119.950 0.274 0.000 2.612 153 F HA 0.878 5.933 4.527 0.504 -0.225 0.332 153 F C -2.217 173.799 175.800 0.360 0.000 1.167 153 F CA -3.119 55.095 58.000 0.356 0.000 0.970 153 F CB 2.684 41.775 39.000 0.150 0.000 1.234 153 F HN 0.132 8.664 8.300 0.386 0.000 0.453 154 S N 6.181 121.990 115.700 0.181 0.000 2.542 154 S HA 0.792 5.329 4.470 -0.113 -0.134 0.293 154 S C -1.982 172.535 174.600 -0.139 0.000 1.089 154 S CA -1.893 56.260 58.200 -0.078 0.000 0.961 154 S CB 3.190 66.314 63.200 -0.127 0.000 1.062 154 S HN 0.037 8.591 8.310 0.407 0.000 0.483 155 L N 0.877 122.040 121.223 -0.099 0.000 2.385 155 L HA 0.666 5.332 4.340 0.232 -0.187 0.273 155 L C -1.759 175.177 176.870 0.109 0.000 0.990 155 L CA -0.125 54.778 54.840 0.105 0.000 0.821 155 L CB 3.088 45.220 42.059 0.122 0.000 1.279 155 L HN 0.155 8.330 8.230 -0.091 0.000 0.412 156 D N 3.284 123.734 120.400 0.084 0.000 2.440 156 D HA 0.344 5.130 4.640 0.047 -0.119 0.252 156 D C -2.209 174.095 176.300 0.007 0.000 1.180 156 D CA -0.966 53.044 54.000 0.018 0.000 0.894 156 D CB 2.436 43.197 40.800 -0.063 0.000 1.111 156 D HN 0.340 8.741 8.370 0.052 0.000 0.544 157 F N 7.545 127.478 119.950 -0.029 0.000 2.449 157 F HA 0.604 5.209 4.527 -0.136 -0.160 0.342 157 F C -2.029 173.736 175.800 -0.058 0.000 1.127 157 F CA -1.362 56.609 58.000 -0.049 0.000 0.975 157 F CB 4.378 43.411 39.000 0.055 0.000 1.146 157 F HN 0.778 9.236 8.300 0.264 0.000 0.444 158 T N 9.618 124.010 114.554 -0.270 0.000 2.792 158 T HA 0.509 5.011 4.350 0.014 -0.144 0.280 158 T C -1.401 173.127 174.700 -0.285 0.000 0.990 158 T CA -0.539 61.485 62.100 -0.127 0.000 0.960 158 T CB 1.690 70.540 68.868 -0.030 0.000 0.939 158 T HN 0.339 8.203 8.240 -0.626 0.000 0.439 159 I N 1.066 121.527 120.570 -0.181 0.000 2.441 159 I HA 0.435 4.331 4.170 -0.456 0.000 0.295 159 I C -1.880 173.954 176.117 -0.471 0.000 0.994 159 I CA -2.109 58.942 61.300 -0.415 0.000 1.144 159 I CB 2.576 40.224 38.000 -0.587 0.000 1.314 159 I HN -0.334 7.820 8.210 -0.093 0.000 0.445 160 D N 5.269 125.363 120.400 -0.511 0.000 2.468 160 D HA 0.030 4.567 4.640 -0.171 0.000 0.218 160 D C -1.412 174.810 176.300 -0.129 0.000 1.155 160 D CA -0.819 53.018 54.000 -0.273 0.000 0.924 160 D CB -0.604 40.054 40.800 -0.236 0.000 1.029 160 D HN 0.191 8.226 8.370 -0.558 0.000 0.515 161 F N 3.099 123.018 119.950 -0.053 0.000 2.444 161 F HA 0.151 4.640 4.527 -0.063 0.000 0.342 161 F C -0.333 175.438 175.800 -0.048 0.000 1.121 161 F CA -1.801 56.158 58.000 -0.069 0.000 0.997 161 F CB 2.110 41.026 39.000 -0.141 0.000 1.130 161 F HN -0.692 7.591 8.300 -0.027 0.000 0.454 162 N N 5.838 124.635 118.700 0.162 0.000 2.707 162 N HA 0.066 4.849 4.740 0.072 0.000 0.235 162 N C -1.786 173.745 175.510 0.034 0.000 1.028 162 N CA 0.086 53.178 53.050 0.070 0.000 0.906 162 N CB 0.634 39.139 38.487 0.030 0.000 1.131 162 N HN 0.319 8.793 8.380 0.157 0.000 0.509 163 H N 8.807 127.823 119.070 -0.090 0.000 2.679 163 H HA 0.506 4.991 4.556 -0.119 0.000 0.360 163 H C -1.338 173.936 175.328 -0.090 0.000 1.105 163 H CA -1.712 54.251 56.048 -0.142 0.000 1.196 163 H CB 3.136 32.727 29.762 -0.286 0.000 1.636 163 H HN 0.018 8.346 8.280 0.081 0.000 0.531 164 P HA -0.152 4.253 4.420 -0.024 0.000 0.219 164 P C -0.724 176.631 177.300 0.092 0.000 1.146 164 P CA 1.489 64.556 63.100 -0.056 0.000 0.808 164 P CB 0.270 31.924 31.700 -0.076 0.000 0.779 165 A N -4.218 118.786 122.820 0.305 0.000 2.278 165 A HA 0.034 4.454 4.320 0.167 0.000 0.212 165 A C -0.299 177.333 177.584 0.081 0.000 1.213 165 A CA 0.014 52.187 52.037 0.226 0.000 0.840 165 A CB 0.650 19.813 19.000 0.271 0.000 0.866 165 A HN -0.483 8.048 8.150 0.691 0.033 0.489 166 I N -0.734 119.848 120.570 0.020 0.000 2.448 166 I HA 0.123 4.278 4.170 -0.025 0.000 0.281 166 I C -1.429 174.708 176.117 0.033 0.000 1.027 166 I CA -0.981 60.282 61.300 -0.062 0.000 1.111 166 I CB 1.205 39.034 38.000 -0.285 0.000 1.236 166 I HN -0.651 7.431 8.210 0.074 0.173 0.452 167 D N 6.180 126.619 120.400 0.064 0.000 2.339 167 D HA 0.112 4.785 4.640 0.056 0.000 0.245 167 D C 0.854 177.194 176.300 0.067 0.000 1.115 167 D CA -0.976 53.063 54.000 0.064 0.000 0.917 167 D CB 2.302 43.142 40.800 0.066 0.000 1.192 167 D HN 0.117 8.535 8.370 0.080 0.000 0.428 168 S N 5.343 121.078 115.700 0.057 0.000 2.368 168 S HA -0.291 4.214 4.470 0.058 0.000 0.225 168 S C 1.079 175.714 174.600 0.058 0.000 1.030 168 S CA 2.949 61.182 58.200 0.055 0.000 0.999 168 S CB 0.073 63.300 63.200 0.045 0.000 0.844 168 S HN 0.279 8.619 8.310 0.051 0.000 0.459 169 S N -0.501 115.234 115.700 0.057 0.000 2.584 169 S HA -0.112 4.388 4.470 0.051 0.000 0.240 169 S C 0.528 175.175 174.600 0.079 0.000 0.975 169 S CA 1.520 59.755 58.200 0.059 0.000 0.949 169 S CB -0.543 62.688 63.200 0.052 0.000 0.761 169 S HN 0.135 8.478 8.310 0.054 0.000 0.536 170 N N 0.017 118.773 118.700 0.093 0.000 2.480 170 N HA 0.231 5.052 4.740 0.134 0.000 0.281 170 N C -1.466 174.119 175.510 0.125 0.000 1.381 170 N CA -0.233 52.892 53.050 0.124 0.000 0.903 170 N CB 0.702 39.275 38.487 0.144 0.000 1.274 170 N HN -0.530 7.692 8.380 0.086 0.210 0.505 171 Q N -1.950 117.906 119.800 0.094 0.000 2.115 171 Q HA 0.135 4.505 4.340 0.050 0.000 0.249 171 Q C -2.054 173.985 176.000 0.064 0.000 0.830 171 Q CA -0.526 55.311 55.803 0.056 0.000 1.104 171 Q CB 1.611 30.361 28.738 0.021 0.000 1.207 171 Q HN -0.678 7.643 8.270 0.085 0.000 0.464 172 R N -0.768 119.802 120.500 0.115 0.000 2.563 172 R HA 0.656 5.303 4.340 0.148 -0.219 0.262 172 R C -2.478 173.942 176.300 0.199 0.000 1.128 172 R CA 0.012 56.190 56.100 0.131 0.000 0.969 172 R CB 2.807 33.147 30.300 0.067 0.000 1.251 172 R HN -0.658 7.693 8.270 0.134 0.000 0.442 173 Y N 5.781 126.124 120.300 0.072 0.000 2.492 173 Y HA 0.341 4.901 4.550 0.017 0.000 0.346 173 Y C -3.031 172.896 175.900 0.046 0.000 0.997 173 Y CA -0.647 57.476 58.100 0.038 0.000 1.025 173 Y CB 4.497 42.964 38.460 0.011 0.000 1.263 173 Y HN 0.597 9.057 8.280 0.299 0.000 0.454 174 A N 4.826 127.429 122.820 -0.361 0.000 2.488 174 A HA 1.063 5.589 4.320 -0.030 -0.225 0.298 174 A C -1.821 175.591 177.584 -0.286 0.000 1.044 174 A CA -1.173 50.753 52.037 -0.185 0.000 0.693 174 A CB 2.524 21.441 19.000 -0.139 0.000 1.272 174 A HN 0.244 7.907 8.150 -0.811 0.000 0.402 175 M N 1.466 121.004 119.600 -0.103 0.000 2.569 175 M HA 0.358 4.763 4.480 -0.125 0.000 0.279 175 M C -2.491 173.789 176.300 -0.033 0.000 1.253 175 M CA -0.722 54.534 55.300 -0.073 0.000 0.867 175 M CB 4.303 36.925 32.600 0.036 0.000 1.727 175 M HN 0.397 8.662 8.290 -0.041 0.000 0.467 176 N N 1.236 119.927 118.700 -0.015 0.000 2.439 176 N HA 0.217 4.984 4.740 0.045 0.000 0.249 176 N C -0.142 175.393 175.510 0.042 0.000 1.003 176 N CA -0.280 52.790 53.050 0.034 0.000 0.942 176 N CB -0.072 38.449 38.487 0.057 0.000 1.115 176 N HN 0.116 8.480 8.380 -0.027 0.000 0.505 177 F N 7.078 126.959 119.950 -0.116 0.000 2.628 177 F HA -0.176 4.330 4.527 -0.035 0.000 0.362 177 F C -1.762 174.010 175.800 -0.047 0.000 1.148 177 F CA 1.968 59.920 58.000 -0.080 0.000 1.352 177 F CB 1.343 40.273 39.000 -0.116 0.000 1.081 177 F HN 0.091 8.457 8.300 0.109 0.000 0.605 178 S N 1.977 117.199 115.700 -0.797 0.000 2.597 178 S HA 0.252 4.800 4.470 -0.303 -0.260 0.274 178 S C -0.795 173.428 174.600 -0.628 0.000 1.132 178 S CA -1.654 56.244 58.200 -0.502 0.000 0.835 178 S CB 3.376 66.463 63.200 -0.188 0.000 1.092 178 S HN -0.441 7.134 8.310 -1.225 0.000 0.457 179 A N 1.445 124.099 122.820 -0.277 0.000 1.908 179 A HA -0.335 4.033 4.320 -0.162 -0.146 0.218 179 A C 0.852 178.388 177.584 -0.079 0.000 1.181 179 A CA 3.394 55.350 52.037 -0.134 0.000 0.627 179 A CB -0.074 18.925 19.000 -0.002 0.000 0.818 179 A HN 0.820 8.892 8.150 -0.130 0.000 0.445 180 D N -1.456 118.893 120.400 -0.085 0.000 2.123 180 D HA -0.271 4.348 4.640 -0.035 0.000 0.200 180 D C 1.643 177.898 176.300 -0.075 0.000 0.976 180 D CA 2.990 56.956 54.000 -0.056 0.000 0.831 180 D CB -0.741 40.033 40.800 -0.043 0.000 0.974 180 D HN -0.196 8.111 8.370 -0.092 0.007 0.469 181 A N -0.627 122.122 122.820 -0.119 0.000 1.969 181 A HA -0.178 4.094 4.320 -0.081 0.000 0.218 181 A C 1.916 179.433 177.584 -0.111 0.000 1.169 181 A CA 2.737 54.707 52.037 -0.111 0.000 0.635 181 A CB -0.546 18.379 19.000 -0.124 0.000 0.810 181 A HN -0.476 7.582 8.150 -0.154 0.000 0.445 182 F N 0.333 120.105 119.950 -0.297 0.000 2.163 182 F HA -0.315 4.107 4.527 -0.175 0.000 0.297 182 F C 0.951 176.675 175.800 -0.127 0.000 1.094 182 F CA 3.406 61.273 58.000 -0.223 0.000 1.290 182 F CB 0.582 39.419 39.000 -0.271 0.000 1.017 182 F HN -0.132 8.091 8.300 -0.128 0.000 0.483 183 M N -3.100 116.455 119.600 -0.076 0.000 2.175 183 M HA -0.456 3.903 4.480 -0.201 0.000 0.264 183 M C 1.615 177.806 176.300 -0.182 0.000 1.063 183 M CA 4.135 59.353 55.300 -0.137 0.000 1.119 183 M CB 0.010 32.593 32.600 -0.027 0.000 1.377 183 M HN -0.589 7.721 8.290 0.035 0.000 0.415 184 R N -4.898 115.522 120.500 -0.132 0.000 2.123 184 R HA -0.087 4.228 4.340 -0.041 0.000 0.209 184 R C 2.055 178.303 176.300 -0.086 0.000 1.078 184 R CA 2.135 58.193 56.100 -0.070 0.000 1.028 184 R CB 0.697 30.977 30.300 -0.034 0.000 0.939 184 R HN -0.713 7.466 8.270 -0.121 0.018 0.463 185 Q N -1.985 117.716 119.800 -0.164 0.000 2.123 185 Q HA -0.126 4.047 4.340 -0.278 0.000 0.196 185 Q C 2.586 178.303 176.000 -0.473 0.000 0.958 185 Q CA 2.898 58.545 55.803 -0.261 0.000 0.841 185 Q CB 0.827 29.495 28.738 -0.118 0.000 0.915 185 Q HN -0.353 7.816 8.270 -0.168 0.000 0.455 186 I N -0.920 119.380 120.570 -0.450 0.000 3.039 186 I HA -0.006 3.857 4.170 -0.512 0.000 0.270 186 I C 1.913 177.702 176.117 -0.547 0.000 1.150 186 I CA 0.124 61.108 61.300 -0.528 0.000 1.448 186 I CB -0.018 37.704 38.000 -0.463 0.000 1.197 186 I HN -0.576 7.365 8.210 -0.448 0.000 0.450 187 S N 1.465 116.721 115.700 -0.740 0.000 2.419 187 S HA -0.440 3.598 4.470 -0.720 0.000 0.235 187 S C 1.514 175.998 174.600 -0.193 0.000 1.019 187 S CA 3.811 61.652 58.200 -0.598 0.000 0.982 187 S CB -0.034 62.854 63.200 -0.520 0.000 0.789 187 S HN 0.116 7.957 8.310 -0.783 0.000 0.490 188 R N -0.497 119.961 120.500 -0.069 0.000 2.317 188 R HA 0.111 4.458 4.340 0.012 0.000 0.208 188 R C -1.041 175.331 176.300 0.120 0.000 0.914 188 R CA -0.286 55.846 56.100 0.054 0.000 1.060 188 R CB -0.080 30.284 30.300 0.107 0.000 1.015 188 R HN -0.041 8.160 8.270 -0.064 0.030 0.498 189 A N -0.107 122.783 122.820 0.116 0.000 2.409 189 A HA 0.042 4.645 4.320 0.213 -0.155 0.267 189 A C -0.824 176.821 177.584 0.102 0.000 1.127 189 A CA -0.557 51.563 52.037 0.139 0.000 0.795 189 A CB 0.544 19.562 19.000 0.031 0.000 1.061 189 A HN -0.341 7.769 8.150 0.015 0.049 0.502 190 R N 4.247 124.731 120.500 -0.025 0.000 2.532 190 R HA 0.096 4.480 4.340 -0.163 -0.142 0.272 190 R C -0.046 175.942 176.300 -0.521 0.000 1.032 190 R CA -0.937 55.054 56.100 -0.182 0.000 1.089 190 R CB 1.698 31.915 30.300 -0.138 0.000 1.098 190 R HN 0.023 8.591 8.270 -0.037 -0.321 0.526 191 T N -1.220 112.846 114.554 -0.814 0.000 2.766 191 T HA -0.108 3.295 4.350 -1.579 0.000 0.295 191 T C -1.357 173.176 174.700 -0.278 0.000 1.024 191 T CA 0.548 62.083 62.100 -0.942 0.000 1.018 191 T CB 1.167 69.762 68.868 -0.456 0.000 1.002 191 T HN -0.242 7.559 8.240 -0.566 0.099 0.532 192 F N -2.384 117.481 119.950 -0.142 0.000 2.631 192 F HA 1.155 5.860 4.527 -0.046 -0.206 0.308 192 F C -1.564 174.265 175.800 0.049 0.000 1.097 192 F CA -3.093 54.898 58.000 -0.015 0.000 0.952 192 F CB 3.324 42.389 39.000 0.110 0.000 1.307 192 F HN -0.040 7.773 8.300 -0.812 0.000 0.450 193 G N -0.992 107.960 108.800 0.254 0.000 2.684 193 G HA2 0.152 4.233 3.960 0.202 0.000 0.290 193 G HA3 0.152 4.173 3.960 0.103 0.000 0.290 193 G C -3.050 171.981 174.900 0.218 0.000 1.425 193 G CA -0.882 44.330 45.100 0.186 0.000 0.822 193 G HN 0.292 8.740 8.290 0.263 0.000 0.482 194 F N 0.365 120.338 119.950 0.038 0.000 2.411 194 F HA 0.526 5.208 4.527 0.008 -0.150 0.350 194 F C 0.112 175.923 175.800 0.019 0.000 1.114 194 F CA -1.591 56.418 58.000 0.016 0.000 1.135 194 F CB 2.123 41.127 39.000 0.006 0.000 1.120 194 F HN 0.145 8.636 8.300 0.318 0.000 0.495 195 M N 8.831 128.134 119.600 -0.496 0.000 2.117 195 M HA -0.364 3.998 4.480 -0.196 0.000 0.262 195 M C 0.814 176.922 176.300 -0.320 0.000 1.065 195 M CA 3.280 58.377 55.300 -0.337 0.000 1.114 195 M CB 0.025 32.457 32.600 -0.281 0.000 1.361 195 M HN 0.315 8.219 8.290 -0.644 0.000 0.408 196 R N -1.707 118.455 120.500 -0.564 0.000 2.081 196 R HA -0.279 3.981 4.340 -0.134 0.000 0.235 196 R C 1.583 177.912 176.300 0.049 0.000 1.131 196 R CA 2.928 58.909 56.100 -0.198 0.000 0.960 196 R CB -1.389 28.840 30.300 -0.117 0.000 0.856 196 R HN 0.298 7.883 8.270 -1.141 0.000 0.436 197 D N -0.925 119.584 120.400 0.181 0.000 2.097 197 D HA -0.239 4.539 4.640 0.229 0.000 0.195 197 D C 2.562 178.960 176.300 0.164 0.000 0.989 197 D CA 3.487 57.625 54.000 0.229 0.000 0.827 197 D CB -0.611 40.356 40.800 0.279 0.000 0.966 197 D HN -0.599 7.932 8.370 0.268 0.000 0.456 198 I N 0.048 120.661 120.570 0.072 0.000 2.163 198 I HA -0.599 3.584 4.170 0.022 0.000 0.243 198 I C 1.702 177.821 176.117 0.004 0.000 1.085 198 I CA 4.393 65.701 61.300 0.013 0.000 1.347 198 I CB -0.066 37.903 38.000 -0.051 0.000 1.044 198 I HN -0.510 7.730 8.210 0.049 0.000 0.408 199 E N -0.646 119.552 120.200 -0.003 0.000 2.097 199 E HA -0.455 3.876 4.350 -0.031 0.000 0.196 199 E C 2.517 179.150 176.600 0.055 0.000 1.000 199 E CA 3.219 59.621 56.400 0.003 0.000 0.804 199 E CB -0.261 29.439 29.700 0.001 0.000 0.740 199 E HN -0.234 8.113 8.360 -0.022 0.000 0.454 200 Y N 0.763 121.057 120.300 -0.011 0.000 2.114 200 Y HA -0.336 4.216 4.550 0.003 0.000 0.284 200 Y C 2.007 177.908 175.900 0.001 0.000 1.143 200 Y CA 3.180 61.282 58.100 0.005 0.000 1.135 200 Y CB 0.115 38.590 38.460 0.025 0.000 0.980 200 Y HN -0.586 7.744 8.280 0.236 0.091 0.499 201 L N -2.406 118.814 121.223 -0.006 0.000 2.012 201 L HA -0.569 3.667 4.340 -0.173 0.000 0.210 201 L C 2.514 179.301 176.870 -0.137 0.000 1.073 201 L CA 3.481 58.263 54.840 -0.096 0.000 0.748 201 L CB -0.646 41.417 42.059 0.007 0.000 0.891 201 L HN -0.040 8.273 8.230 0.138 0.000 0.431 202 Q N -3.237 116.508 119.800 -0.092 0.000 2.291 202 Q HA -0.173 4.330 4.340 -0.079 -0.211 0.205 202 Q C 3.014 178.952 176.000 -0.103 0.000 0.970 202 Q CA 2.478 58.230 55.803 -0.086 0.000 0.876 202 Q CB -0.017 28.677 28.738 -0.072 0.000 0.935 202 Q HN 0.102 8.334 8.270 -0.064 0.000 0.455 203 S N -0.179 115.439 115.700 -0.138 0.000 2.461 203 S HA -0.131 4.283 4.470 -0.094 0.000 0.228 203 S C 0.431 174.923 174.600 -0.181 0.000 1.005 203 S CA 2.570 60.688 58.200 -0.137 0.000 0.942 203 S CB -0.096 63.035 63.200 -0.115 0.000 0.776 203 S HN -0.389 7.695 8.310 -0.153 0.135 0.514 204 R N 0.094 120.437 120.500 -0.261 0.000 2.388 204 R HA 0.172 4.398 4.340 -0.190 0.000 0.247 204 R C 0.051 176.275 176.300 -0.127 0.000 0.931 204 R CA -1.257 54.708 56.100 -0.225 0.000 1.082 204 R CB -1.136 28.966 30.300 -0.330 0.000 1.135 204 R HN -0.690 7.259 8.270 -0.307 0.137 0.525 205 G N -0.660 108.079 108.800 -0.100 0.000 2.143 205 G HA2 -0.428 3.499 3.960 -0.054 0.000 0.248 205 G HA3 -0.428 3.501 3.960 -0.051 0.000 0.248 205 G C -0.858 174.017 174.900 -0.041 0.000 0.991 205 G CA 0.621 45.685 45.100 -0.060 0.000 0.689 205 G HN -0.409 7.635 8.290 -0.109 0.181 0.522 206 L N -2.790 118.402 121.223 -0.051 0.000 2.304 206 L HA 0.414 4.763 4.340 0.014 0.000 0.268 206 L C 0.312 177.161 176.870 -0.035 0.000 1.010 206 L CA -1.940 52.890 54.840 -0.016 0.000 0.813 206 L CB 2.432 44.488 42.059 -0.005 0.000 1.315 206 L HN -0.345 7.708 8.230 -0.079 0.129 0.445 207 C N -1.377 117.898 119.300 -0.041 0.000 4.268 207 C HA -0.335 4.166 4.460 -0.173 -0.145 0.299 207 C C 1.464 176.406 174.990 -0.080 0.000 1.429 207 C CA 1.045 60.000 59.018 -0.105 0.000 2.018 207 C CB -1.817 25.865 27.740 -0.097 0.000 1.277 207 C HN 0.757 8.981 8.230 -0.011 0.000 0.767 208 L N -1.351 119.843 121.223 -0.049 0.000 2.362 208 L HA -0.149 4.161 4.340 -0.050 0.000 0.219 208 L C 1.526 178.368 176.870 -0.046 0.000 1.134 208 L CA 2.013 56.828 54.840 -0.042 0.000 0.807 208 L CB -0.689 41.358 42.059 -0.021 0.000 0.927 208 L HN -0.273 7.940 8.230 -0.028 0.000 0.447 209 G N -2.841 105.929 108.800 -0.050 0.000 2.880 209 G HA2 0.066 4.005 3.960 -0.036 0.000 0.209 209 G HA3 0.066 4.219 3.960 -0.038 -0.215 0.209 209 G C -0.040 174.821 174.900 -0.066 0.000 1.157 209 G CA -0.568 44.504 45.100 -0.046 0.000 0.779 209 G HN -0.441 7.679 8.290 -0.056 0.136 0.539 210 G N 0.784 109.530 108.800 -0.090 0.000 2.340 210 G HA2 -0.098 3.801 3.960 -0.101 0.000 0.245 210 G HA3 -0.098 3.790 3.960 -0.120 0.000 0.245 210 G C -1.565 173.253 174.900 -0.136 0.000 1.294 210 G CA 0.453 45.487 45.100 -0.110 0.000 0.896 210 G HN -0.633 7.446 8.290 -0.092 0.155 0.522 211 S N 3.096 118.709 115.700 -0.145 0.000 2.643 211 S HA 0.236 4.526 4.470 -0.299 0.000 0.270 211 S C 0.514 175.011 174.600 -0.171 0.000 1.166 211 S CA -1.394 56.690 58.200 -0.194 0.000 0.815 211 S CB 2.137 65.283 63.200 -0.089 0.000 1.139 211 S HN -0.561 7.678 8.310 -0.118 0.000 0.472 212 F N 0.501 120.431 119.950 -0.032 0.000 2.333 212 F HA -0.068 4.437 4.527 -0.035 0.000 0.300 212 F C 1.715 177.489 175.800 -0.042 0.000 1.083 212 F CA 2.066 60.044 58.000 -0.036 0.000 1.395 212 F CB -0.204 38.775 39.000 -0.034 0.000 1.056 212 F HN 0.518 8.720 8.300 -0.162 0.000 0.529 213 D N -0.607 119.864 120.400 0.120 0.000 2.348 213 D HA -0.076 4.595 4.640 0.051 0.000 0.216 213 D C 0.285 176.593 176.300 0.013 0.000 0.970 213 D CA 2.436 56.467 54.000 0.050 0.000 0.889 213 D CB -0.195 40.621 40.800 0.027 0.000 0.912 213 D HN -0.259 8.135 8.370 0.096 0.033 0.524 214 C N -6.045 113.258 119.300 0.004 0.000 3.385 214 C HA 0.476 4.937 4.460 -0.013 -0.009 0.288 214 C C -1.724 173.254 174.990 -0.021 0.000 1.429 214 C CA -2.941 56.070 59.018 -0.012 0.000 1.778 214 C CB 1.421 29.151 27.740 -0.017 0.000 2.503 214 C HN -0.661 7.419 8.230 0.004 0.153 0.646 215 A N -0.675 122.140 122.820 -0.008 0.000 2.594 215 A HA 0.239 4.647 4.320 -0.048 -0.117 0.296 215 A C -2.484 175.121 177.584 0.035 0.000 1.056 215 A CA -0.312 51.716 52.037 -0.016 0.000 0.693 215 A CB 2.409 21.392 19.000 -0.028 0.000 1.278 215 A HN -0.869 7.291 8.150 0.018 0.000 0.408 216 I N 1.000 121.581 120.570 0.019 0.000 2.452 216 I HA -0.046 4.352 4.170 0.058 -0.194 0.287 216 I C -0.688 175.511 176.117 0.137 0.000 1.079 216 I CA 0.785 62.114 61.300 0.048 0.000 1.387 216 I CB 0.385 38.331 38.000 -0.089 0.000 1.404 216 I HN -0.069 8.133 8.210 -0.015 0.000 0.522 217 V N 7.417 127.433 119.914 0.170 0.000 2.495 217 V HA 0.724 5.123 4.120 0.129 -0.201 0.298 217 V C -1.017 175.163 176.094 0.143 0.000 1.031 217 V CA -1.903 60.487 62.300 0.149 0.000 0.871 217 V CB 2.331 34.223 31.823 0.115 0.000 0.988 217 V HN 0.339 8.967 8.190 0.209 -0.313 0.432 218 V N 1.062 121.027 119.914 0.086 0.000 2.715 218 V HA 1.024 5.351 4.120 0.090 -0.154 0.310 218 V C -0.970 175.121 176.094 -0.006 0.000 1.054 218 V CA -3.787 58.545 62.300 0.054 0.000 0.928 218 V CB 3.269 35.032 31.823 -0.101 0.000 1.007 218 V HN 0.022 8.263 8.190 0.084 0.000 0.437 219 D N 5.010 125.428 120.400 0.030 0.000 2.446 219 D HA 0.013 4.409 4.640 -0.406 0.000 0.288 219 D C -0.335 176.053 176.300 0.146 0.000 1.195 219 D CA -0.462 53.478 54.000 -0.100 0.000 1.095 219 D CB 0.473 41.246 40.800 -0.044 0.000 1.153 219 D HN -0.202 8.224 8.370 0.092 0.000 0.568 220 D N -4.281 116.090 120.400 -0.049 0.000 2.264 220 D HA -0.216 4.456 4.640 0.054 0.000 0.208 220 D C -0.466 175.432 176.300 -0.671 0.000 0.966 220 D CA 2.646 56.438 54.000 -0.347 0.000 0.864 220 D CB 0.259 40.508 40.800 -0.917 0.000 0.933 220 D HN 0.251 8.546 8.370 -0.126 0.000 0.499 221 Y N -5.244 115.095 120.300 0.066 0.000 2.585 221 Y HA 0.105 4.568 4.550 -0.145 0.000 0.272 221 Y C -1.262 174.712 175.900 0.123 0.000 1.119 221 Y CA 0.542 58.635 58.100 -0.011 0.000 1.255 221 Y CB 2.937 41.399 38.460 0.003 0.000 1.284 221 Y HN -0.540 8.011 8.280 0.024 -0.257 0.499 222 R N -4.055 116.647 120.500 0.337 0.000 2.781 222 R HA 0.337 4.840 4.340 0.271 0.000 0.269 222 R C -2.103 174.315 176.300 0.197 0.000 1.025 222 R CA -1.974 54.280 56.100 0.256 0.000 0.914 222 R CB 2.877 33.280 30.300 0.170 0.000 1.236 222 R HN -0.291 8.471 8.270 0.310 -0.306 0.465 223 V N 0.166 120.168 119.914 0.146 0.000 2.521 223 V HA -0.243 3.951 4.120 0.123 0.000 0.286 223 V C -0.359 175.775 176.094 0.067 0.000 1.034 223 V CA 1.324 63.691 62.300 0.111 0.000 1.045 223 V CB 0.215 32.096 31.823 0.096 0.000 0.974 223 V HN 0.296 8.572 8.190 0.144 0.000 0.480 224 L N 5.199 126.468 121.223 0.076 0.000 2.307 224 L HA -0.037 4.307 4.340 0.006 0.000 0.211 224 L C 0.321 177.074 176.870 -0.194 0.000 1.099 224 L CA 0.581 55.435 54.840 0.024 0.000 0.816 224 L CB 0.179 42.355 42.059 0.195 0.000 0.952 224 L HN 0.339 8.639 8.230 0.117 0.000 0.455 225 N N -0.456 118.151 118.700 -0.155 0.000 2.411 225 N HA -0.190 4.178 4.740 -0.620 0.000 0.261 225 N C 0.542 175.895 175.510 -0.261 0.000 1.248 225 N CA 0.941 53.809 53.050 -0.304 0.000 0.885 225 N CB 0.414 38.842 38.487 -0.100 0.000 1.062 225 N HN -0.413 7.957 8.380 -0.017 0.000 0.471 226 E N 3.707 123.706 120.200 -0.336 0.000 2.086 226 E HA -0.398 3.831 4.350 -0.202 0.000 0.200 226 E C 0.102 176.618 176.600 -0.141 0.000 1.012 226 E CA 2.568 58.837 56.400 -0.218 0.000 0.812 226 E CB 0.062 29.636 29.700 -0.211 0.000 0.743 226 E HN 0.496 8.579 8.360 -0.461 0.000 0.453 227 D N -3.820 116.502 120.400 -0.131 0.000 2.349 227 D HA 0.002 4.587 4.640 -0.092 0.000 0.215 227 D C 0.156 176.400 176.300 -0.093 0.000 1.016 227 D CA -0.207 53.732 54.000 -0.102 0.000 0.870 227 D CB 0.339 41.078 40.800 -0.101 0.000 0.917 227 D HN 0.003 8.286 8.370 -0.144 0.000 0.524 228 G N 0.518 109.264 108.800 -0.091 0.000 2.512 228 G HA2 -0.386 3.542 3.960 -0.053 0.000 0.254 228 G HA3 -0.386 3.540 3.960 -0.058 0.000 0.254 228 G C -1.713 173.132 174.900 -0.091 0.000 1.199 228 G CA -0.320 44.739 45.100 -0.069 0.000 0.941 228 G HN -0.424 7.645 8.290 -0.102 0.160 0.569 229 L N 0.451 121.620 121.223 -0.090 0.000 2.334 229 L HA 0.342 4.672 4.340 -0.161 -0.086 0.275 229 L C 1.088 177.844 176.870 -0.190 0.000 1.036 229 L CA -0.801 53.960 54.840 -0.132 0.000 0.807 229 L CB 1.353 43.361 42.059 -0.084 0.000 1.231 229 L HN 0.080 8.270 8.230 -0.066 0.000 0.438 230 R N -0.313 120.013 120.500 -0.291 0.000 2.153 230 R HA -0.087 3.964 4.340 -0.481 0.000 0.218 230 R C 0.353 176.118 176.300 -0.892 0.000 1.072 230 R CA 2.116 57.866 56.100 -0.583 0.000 0.990 230 R CB 0.911 30.799 30.300 -0.686 0.000 0.889 230 R HN 0.142 8.573 8.270 -0.257 -0.315 0.452 231 F N -4.405 115.496 119.950 -0.082 0.000 2.613 231 F HA 0.204 4.711 4.527 -0.033 0.000 0.314 231 F C 0.832 176.615 175.800 -0.029 0.000 1.075 231 F CA -1.878 56.091 58.000 -0.052 0.000 0.945 231 F CB 2.500 41.460 39.000 -0.067 0.000 1.310 231 F HN -0.916 7.316 8.300 -0.114 0.000 0.467 232 E N 1.153 121.475 120.200 0.202 0.000 2.204 232 E HA -0.240 4.185 4.350 0.125 0.000 0.194 232 E C -0.477 176.234 176.600 0.184 0.000 0.989 232 E CA 2.501 58.993 56.400 0.152 0.000 0.824 232 E CB 0.168 29.945 29.700 0.129 0.000 0.756 232 E HN 0.481 8.975 8.360 0.222 0.000 0.477 233 D N -5.047 115.465 120.400 0.188 0.000 2.894 233 D HA 0.107 4.882 4.640 0.225 0.000 0.273 233 D C -0.540 175.817 176.300 0.095 0.000 1.328 233 D CA -1.763 52.340 54.000 0.171 0.000 0.845 233 D CB -1.923 38.970 40.800 0.155 0.000 1.072 233 D HN -0.096 8.376 8.370 0.201 0.019 0.484 234 E N 1.665 121.921 120.200 0.093 0.000 2.153 234 E HA -0.362 4.029 4.350 0.068 0.000 0.194 234 E C 0.686 177.245 176.600 -0.067 0.000 0.988 234 E CA 3.405 59.812 56.400 0.011 0.000 0.811 234 E CB 0.064 29.731 29.700 -0.056 0.000 0.746 234 E HN -0.768 7.600 8.360 0.107 0.055 0.466 235 F N -3.033 116.906 119.950 -0.018 0.000 2.075 235 F HA -0.327 4.142 4.527 -0.096 0.000 0.297 235 F C 2.421 178.282 175.800 0.102 0.000 1.113 235 F CA 3.636 61.573 58.000 -0.104 0.000 1.218 235 F CB -0.435 38.349 39.000 -0.360 0.000 0.984 235 F HN -0.147 8.186 8.300 0.085 0.018 0.472 236 V N -1.104 118.948 119.914 0.230 0.000 2.548 236 V HA -0.469 3.721 4.120 0.116 0.000 0.249 236 V C 1.456 177.488 176.094 -0.102 0.000 1.055 236 V CA 2.970 65.328 62.300 0.097 0.000 1.065 236 V CB -0.173 31.728 31.823 0.130 0.000 0.681 236 V HN -0.552 7.783 8.190 0.240 0.000 0.462 237 R N -1.072 119.287 120.500 -0.235 0.000 2.091 237 R HA -0.461 3.469 4.340 -0.684 0.000 0.238 237 R C 2.145 178.296 176.300 -0.247 0.000 1.136 237 R CA 4.054 59.867 56.100 -0.479 0.000 0.959 237 R CB -0.366 29.540 30.300 -0.657 0.000 0.856 237 R HN -0.548 7.608 8.270 -0.191 0.000 0.437 238 H N -0.328 118.669 119.070 -0.121 0.000 2.423 238 H HA -0.228 4.266 4.556 -0.104 0.000 0.297 238 H C 1.978 177.270 175.328 -0.060 0.000 1.075 238 H CA 3.422 59.443 56.048 -0.045 0.000 1.342 238 H CB 0.005 29.827 29.762 0.101 0.000 1.395 238 H HN -0.156 8.193 8.280 0.116 0.000 0.530 239 K N -1.683 118.671 120.400 -0.077 0.000 2.147 239 K HA -0.292 3.884 4.320 -0.241 0.000 0.205 239 K C 2.303 178.482 176.600 -0.703 0.000 1.049 239 K CA 2.472 58.533 56.287 -0.378 0.000 0.936 239 K CB -0.711 31.511 32.500 -0.464 0.000 0.722 239 K HN -0.440 7.761 8.250 0.061 0.085 0.446 240 M N 0.595 119.852 119.600 -0.573 0.000 2.200 240 M HA -0.222 3.996 4.480 -0.438 0.000 0.265 240 M C 1.456 177.653 176.300 -0.171 0.000 1.066 240 M CA 3.405 58.485 55.300 -0.366 0.000 1.127 240 M CB -0.023 32.477 32.600 -0.167 0.000 1.379 240 M HN -0.625 7.287 8.290 -0.460 0.102 0.420 241 L N 0.356 121.460 121.223 -0.199 0.000 2.012 241 L HA -0.521 3.901 4.340 0.137 0.000 0.210 241 L C 1.313 178.141 176.870 -0.069 0.000 1.073 241 L CA 3.548 58.341 54.840 -0.078 0.000 0.748 241 L CB -0.171 41.744 42.059 -0.240 0.000 0.891 241 L HN -0.211 7.779 8.230 -0.273 0.076 0.431 242 D N -1.849 118.414 120.400 -0.229 0.000 2.144 242 D HA -0.317 4.385 4.640 0.104 0.000 0.199 242 D C 1.951 178.260 176.300 0.016 0.000 0.984 242 D CA 3.132 57.108 54.000 -0.040 0.000 0.834 242 D CB -0.493 40.252 40.800 -0.092 0.000 0.955 242 D HN -0.259 7.872 8.370 -0.398 0.000 0.465 243 A N 0.386 123.159 122.820 -0.078 0.000 1.877 243 A HA -0.273 4.044 4.320 -0.005 0.000 0.216 243 A C 1.940 179.500 177.584 -0.039 0.000 1.186 243 A CA 3.106 55.110 52.037 -0.054 0.000 0.620 243 A CB -0.426 18.533 19.000 -0.068 0.000 0.822 243 A HN -0.474 7.492 8.150 -0.177 0.078 0.443 244 I N -2.513 118.073 120.570 0.027 0.000 2.208 244 I HA -0.587 3.651 4.170 0.114 0.000 0.245 244 I C 2.128 178.309 176.117 0.106 0.000 1.097 244 I CA 3.894 65.254 61.300 0.100 0.000 1.363 244 I CB -0.288 37.822 38.000 0.183 0.000 1.051 244 I HN -0.225 8.004 8.210 0.032 0.000 0.413 245 G N -1.143 107.730 108.800 0.122 0.000 2.418 245 G HA2 -0.388 3.667 3.960 0.158 0.000 0.217 245 G HA3 -0.388 3.824 3.960 0.161 -0.156 0.217 245 G C 0.166 175.151 174.900 0.141 0.000 1.158 245 G CA 1.957 47.147 45.100 0.150 0.000 0.771 245 G HN -0.445 7.919 8.290 0.123 0.000 0.545 246 D N 1.517 121.993 120.400 0.126 0.000 2.097 246 D HA -0.106 4.592 4.640 0.098 0.000 0.195 246 D C 2.897 179.245 176.300 0.080 0.000 0.989 246 D CA 2.766 56.833 54.000 0.111 0.000 0.827 246 D CB -0.096 40.793 40.800 0.148 0.000 0.966 246 D HN -0.379 8.066 8.370 0.125 0.000 0.456 247 L N -1.208 120.059 121.223 0.073 0.000 2.201 247 L HA -0.292 4.085 4.340 0.062 0.000 0.212 247 L C 1.387 178.301 176.870 0.073 0.000 1.105 247 L CA 2.473 57.355 54.840 0.070 0.000 0.775 247 L CB -0.104 42.002 42.059 0.078 0.000 0.913 247 L HN -0.206 8.060 8.230 0.060 0.000 0.440 248 F N -1.287 118.627 119.950 -0.060 0.000 2.811 248 F HA 0.055 4.504 4.527 -0.131 0.000 0.301 248 F C 1.043 176.799 175.800 -0.074 0.000 1.151 248 F CA -0.611 57.333 58.000 -0.094 0.000 1.412 248 F CB 0.117 39.063 39.000 -0.091 0.000 1.113 248 F HN -0.579 7.839 8.300 0.238 0.024 0.579 249 M N 0.271 119.817 119.600 -0.090 0.000 2.460 249 M HA -0.282 4.125 4.480 -0.120 0.000 0.263 249 M C 1.075 177.241 176.300 -0.223 0.000 1.071 249 M CA 1.216 56.437 55.300 -0.132 0.000 1.096 249 M CB -1.415 31.152 32.600 -0.055 0.000 1.408 249 M HN -0.432 7.782 8.290 -0.010 0.070 0.463 250 C N -6.189 112.955 119.300 -0.260 0.000 2.500 250 C HA -0.081 4.268 4.460 -0.185 0.000 0.273 250 C C 1.144 175.913 174.990 -0.369 0.000 1.428 250 C CA 0.233 59.105 59.018 -0.243 0.000 1.766 250 C CB 0.390 28.005 27.740 -0.208 0.000 1.817 250 C HN -0.607 7.444 8.230 -0.237 0.037 0.543 251 G N 1.201 109.562 108.800 -0.731 0.000 2.157 251 G HA2 -0.364 2.771 3.960 -1.375 0.000 0.248 251 G HA3 -0.364 3.105 3.960 -0.817 0.000 0.248 251 G C -1.335 172.888 174.900 -1.127 0.000 0.979 251 G CA 0.259 44.728 45.100 -1.051 0.000 0.650 251 G HN -0.280 7.339 8.290 -0.855 0.158 0.529 252 H N -0.011 118.740 119.070 -0.532 0.000 2.717 252 H HA 0.275 4.665 4.556 -0.276 0.000 0.366 252 H C -1.783 173.426 175.328 -0.197 0.000 1.132 252 H CA -1.257 54.610 56.048 -0.301 0.000 1.180 252 H CB 3.421 33.049 29.762 -0.223 0.000 1.678 252 H HN -0.700 7.246 8.280 -0.475 0.048 0.537 253 N N 0.818 119.421 118.700 -0.163 0.000 2.513 253 N HA -0.023 4.555 4.740 -0.269 0.000 0.268 253 N C -1.121 174.171 175.510 -0.363 0.000 1.180 253 N CA 0.788 53.603 53.050 -0.391 0.000 0.948 253 N CB 0.698 38.647 38.487 -0.896 0.000 1.083 253 N HN 0.183 8.395 8.380 -0.280 0.000 0.455 254 I N 1.412 121.723 120.570 -0.431 0.000 2.336 254 I HA 0.240 4.462 4.170 -0.210 -0.177 0.292 254 I C -0.092 175.976 176.117 -0.081 0.000 0.991 254 I CA -0.871 60.242 61.300 -0.313 0.000 1.227 254 I CB 1.775 39.499 38.000 -0.460 0.000 1.366 254 I HN 0.173 8.026 8.210 -0.596 0.000 0.466 255 I N 7.019 127.667 120.570 0.131 0.000 2.281 255 I HA 0.280 4.916 4.170 0.544 -0.139 0.293 255 I C -0.991 175.321 176.117 0.324 0.000 1.085 255 I CA -0.623 60.887 61.300 0.349 0.000 1.257 255 I CB -0.458 37.722 38.000 0.300 0.000 1.430 255 I HN 0.260 8.520 8.210 0.084 0.000 0.489 256 G N 5.984 115.125 108.800 0.568 0.000 2.342 256 G HA2 0.329 4.772 3.960 0.603 0.000 0.297 256 G HA3 0.329 4.646 3.960 0.596 0.000 0.297 256 G C -3.375 172.086 174.900 0.935 0.000 1.313 256 G CA 0.710 46.221 45.100 0.685 0.000 0.830 256 G HN 0.012 8.741 8.290 0.731 0.000 0.506 257 A N -0.641 122.623 122.820 0.739 0.000 2.277 257 A HA 0.696 5.204 4.320 0.313 0.000 0.318 257 A C -2.194 175.523 177.584 0.222 0.000 1.339 257 A CA -2.100 50.157 52.037 0.365 0.000 0.875 257 A CB 1.778 20.825 19.000 0.078 0.000 1.158 257 A HN 0.274 8.849 8.150 0.707 0.000 0.514 258 F N 8.058 127.940 119.950 -0.114 0.000 2.411 258 F HA 0.587 4.794 4.527 -0.809 -0.165 0.350 258 F C -1.779 173.897 175.800 -0.206 0.000 1.114 258 F CA -1.158 56.551 58.000 -0.484 0.000 1.135 258 F CB 2.916 41.619 39.000 -0.496 0.000 1.120 258 F HN 0.579 9.045 8.300 0.276 0.000 0.495 259 T N 10.426 124.467 114.554 -0.856 0.000 2.881 259 T HA 0.582 4.774 4.350 -0.567 -0.181 0.290 259 T C -2.121 171.987 174.700 -0.987 0.000 1.000 259 T CA -0.726 60.983 62.100 -0.651 0.000 0.978 259 T CB 2.682 71.471 68.868 -0.131 0.000 0.997 259 T HN 0.256 7.985 8.240 -0.851 0.000 0.443 260 A N 5.504 127.689 122.820 -1.059 0.000 2.427 260 A HA 0.584 4.315 4.320 -1.205 -0.134 0.298 260 A C -3.291 173.502 177.584 -1.318 0.000 1.036 260 A CA -1.105 50.203 52.037 -1.215 0.000 0.701 260 A CB 3.645 22.039 19.000 -1.009 0.000 1.250 260 A HN 0.797 8.437 8.150 -0.851 0.000 0.412 261 Y N 4.760 124.027 120.300 -1.723 0.000 2.328 261 Y HA 0.309 4.379 4.550 -1.015 -0.129 0.333 261 Y C -0.730 174.651 175.900 -0.864 0.000 0.958 261 Y CA -2.166 55.162 58.100 -1.286 0.000 1.167 261 Y CB 2.792 40.408 38.460 -1.407 0.000 1.151 261 Y HN 0.036 7.243 8.280 -1.789 0.000 0.470 262 K N 6.042 125.758 120.400 -1.140 0.000 3.071 262 K HA -0.471 3.445 4.320 -0.673 0.000 0.265 262 K C -1.470 174.835 176.600 -0.492 0.000 1.060 262 K CA 1.404 57.203 56.287 -0.813 0.000 0.767 262 K CB -1.967 29.990 32.500 -0.905 0.000 1.241 262 K HN 0.638 8.248 8.250 -1.068 0.000 0.486 263 S N -2.551 112.834 115.700 -0.525 0.000 2.652 263 S HA 0.030 4.397 4.470 -0.172 0.000 0.270 263 S C -0.697 173.952 174.600 0.082 0.000 1.243 263 S CA -0.456 57.621 58.200 -0.205 0.000 0.999 263 S CB 1.583 64.658 63.200 -0.208 0.000 0.973 263 S HN -0.356 7.454 8.310 -0.834 0.000 0.544 264 G N -0.874 107.975 108.800 0.083 0.000 2.749 264 G HA2 0.188 4.151 3.960 0.004 0.000 0.300 264 G HA3 0.188 4.149 3.960 0.002 0.000 0.300 264 G C -0.416 174.500 174.900 0.028 0.000 1.352 264 G CA -0.951 44.163 45.100 0.024 0.000 0.789 264 G HN -0.269 8.062 8.290 0.067 0.000 0.509 265 H N 0.660 119.795 119.070 0.107 0.000 2.321 265 H HA -0.278 4.581 4.556 0.082 -0.254 0.295 265 H C 2.364 177.736 175.328 0.074 0.000 1.102 265 H CA 4.026 60.121 56.048 0.078 0.000 1.266 265 H CB -0.086 29.704 29.762 0.048 0.000 1.363 265 H HN 0.450 8.548 8.280 -0.303 0.000 0.492 266 A N -1.265 121.667 122.820 0.187 0.000 1.877 266 A HA -0.276 4.115 4.320 0.119 0.000 0.216 266 A C 2.238 179.890 177.584 0.113 0.000 1.186 266 A CA 2.991 55.104 52.037 0.126 0.000 0.620 266 A CB -0.926 18.133 19.000 0.098 0.000 0.822 266 A HN -0.237 8.120 8.150 0.181 -0.098 0.443 267 L N -1.708 119.580 121.223 0.108 0.000 2.056 267 L HA -0.265 4.136 4.340 0.101 0.000 0.207 267 L C 1.809 178.771 176.870 0.152 0.000 1.078 267 L CA 2.574 57.478 54.840 0.108 0.000 0.749 267 L CB -0.309 41.792 42.059 0.069 0.000 0.901 267 L HN -0.591 7.698 8.230 0.100 0.000 0.433 268 N N -0.675 118.134 118.700 0.183 0.000 2.069 268 N HA -0.409 4.512 4.740 0.301 0.000 0.191 268 N C 2.183 177.801 175.510 0.180 0.000 1.031 268 N CA 3.497 56.683 53.050 0.226 0.000 0.852 268 N CB -0.747 37.861 38.487 0.202 0.000 1.018 268 N HN 0.060 8.543 8.380 0.172 0.000 0.423 269 N N 0.184 118.969 118.700 0.142 0.000 2.244 269 N HA -0.295 4.500 4.740 0.092 0.000 0.183 269 N C 1.399 176.967 175.510 0.097 0.000 1.016 269 N CA 3.141 56.253 53.050 0.103 0.000 0.866 269 N CB 0.170 38.706 38.487 0.082 0.000 0.980 269 N HN -0.234 8.234 8.380 0.145 0.000 0.430 270 K N 0.371 120.836 120.400 0.108 0.000 2.097 270 K HA -0.280 4.089 4.320 0.081 0.000 0.205 270 K C 2.372 179.044 176.600 0.119 0.000 1.050 270 K CA 3.038 59.385 56.287 0.099 0.000 0.938 270 K CB -0.064 32.493 32.500 0.096 0.000 0.718 270 K HN -0.522 7.709 8.250 0.115 0.088 0.442 271 L N -0.077 121.244 121.223 0.164 0.000 2.017 271 L HA -0.269 4.189 4.340 0.197 0.000 0.208 271 L C 1.240 178.226 176.870 0.194 0.000 1.073 271 L CA 3.001 57.970 54.840 0.215 0.000 0.745 271 L CB -0.452 41.796 42.059 0.316 0.000 0.894 271 L HN -0.282 8.053 8.230 0.176 0.000 0.432 272 L N -1.488 119.836 121.223 0.168 0.000 2.013 272 L HA -0.497 3.894 4.340 0.085 0.000 0.212 272 L C 1.862 178.730 176.870 -0.003 0.000 1.073 272 L CA 3.414 58.300 54.840 0.078 0.000 0.753 272 L CB -0.535 41.553 42.059 0.049 0.000 0.890 272 L HN -0.422 7.913 8.230 0.175 0.000 0.432 273 Q N -2.689 117.123 119.800 0.021 0.000 2.167 273 Q HA -0.373 3.950 4.340 -0.028 0.000 0.202 273 Q C 2.454 178.468 176.000 0.023 0.000 0.970 273 Q CA 3.038 58.844 55.803 0.004 0.000 0.855 273 Q CB -0.194 28.558 28.738 0.022 0.000 0.911 273 Q HN -0.271 8.026 8.270 0.045 0.000 0.438 274 A N 0.194 123.049 122.820 0.058 0.000 1.898 274 A HA -0.228 4.135 4.320 0.071 0.000 0.216 274 A C 2.065 179.695 177.584 0.077 0.000 1.181 274 A CA 3.032 55.115 52.037 0.077 0.000 0.620 274 A CB -0.791 18.271 19.000 0.104 0.000 0.819 274 A HN -0.474 7.630 8.150 0.074 0.091 0.442 275 V N -1.019 118.928 119.914 0.055 0.000 2.261 275 V HA -0.521 3.656 4.120 0.094 0.000 0.246 275 V C 2.410 178.478 176.094 -0.044 0.000 1.047 275 V CA 4.219 66.529 62.300 0.017 0.000 1.015 275 V CB -0.011 31.761 31.823 -0.084 0.000 0.642 275 V HN -0.253 7.973 8.190 0.060 0.000 0.446 276 L N -2.681 118.414 121.223 -0.214 0.000 2.201 276 L HA -0.278 3.618 4.340 -0.741 0.000 0.212 276 L C 2.271 179.251 176.870 0.183 0.000 1.105 276 L CA 2.264 56.937 54.840 -0.279 0.000 0.775 276 L CB -0.848 41.004 42.059 -0.346 0.000 0.913 276 L HN -0.578 7.535 8.230 -0.195 0.000 0.440 277 A N -1.845 121.046 122.820 0.119 0.000 1.968 277 A HA -0.165 4.227 4.320 0.121 0.000 0.217 277 A C -0.329 177.348 177.584 0.155 0.000 1.169 277 A CA 1.819 53.931 52.037 0.126 0.000 0.638 277 A CB -0.181 18.866 19.000 0.077 0.000 0.812 277 A HN -0.419 7.745 8.150 0.069 0.028 0.446 278 K N -0.598 119.912 120.400 0.185 0.000 2.273 278 K HA 0.051 4.424 4.320 0.089 0.000 0.287 278 K C 0.871 177.547 176.600 0.127 0.000 1.089 278 K CA -0.847 55.523 56.287 0.138 0.000 0.909 278 K CB 0.079 32.650 32.500 0.119 0.000 1.123 278 K HN -0.681 7.688 8.250 0.197 0.000 0.473 279 Q N 7.020 126.817 119.800 -0.005 0.000 2.135 279 Q HA -0.359 3.790 4.340 -0.319 0.000 0.204 279 Q C 0.802 176.598 176.000 -0.339 0.000 0.981 279 Q CA 3.730 59.403 55.803 -0.217 0.000 0.856 279 Q CB 0.057 28.693 28.738 -0.170 0.000 0.902 279 Q HN 0.647 8.918 8.270 0.002 0.000 0.425 280 E N -3.009 117.095 120.200 -0.160 0.000 2.478 280 E HA -0.101 4.132 4.350 -0.195 0.000 0.194 280 E C 0.004 176.559 176.600 -0.076 0.000 1.045 280 E CA 0.916 57.233 56.400 -0.138 0.000 0.868 280 E CB -1.227 28.428 29.700 -0.074 0.000 0.885 280 E HN 0.041 8.331 8.360 -0.090 0.016 0.505 281 A N -1.310 121.511 122.820 0.003 0.000 2.169 281 A HA 0.014 4.383 4.320 0.083 0.000 0.212 281 A C -1.328 176.370 177.584 0.190 0.000 1.153 281 A CA 1.376 53.483 52.037 0.116 0.000 0.756 281 A CB 0.913 20.025 19.000 0.186 0.000 0.813 281 A HN -0.137 7.865 8.150 0.018 0.159 0.471 282 W N -6.734 114.512 121.300 -0.091 0.000 2.988 282 W HA 0.818 5.562 4.660 -0.109 -0.149 0.355 282 W C -2.701 173.718 176.519 -0.167 0.000 1.233 282 W CA -1.737 55.527 57.345 -0.136 0.000 1.176 282 W CB 2.642 31.986 29.460 -0.193 0.000 1.477 282 W HN -0.847 7.177 8.180 -0.196 0.038 0.582 283 E N -4.571 115.600 120.200 -0.049 0.000 2.390 283 E HA 0.229 4.134 4.350 -0.742 0.000 0.280 283 E C -2.684 173.912 176.600 -0.007 0.000 0.992 283 E CA -1.519 54.700 56.400 -0.301 0.000 0.790 283 E CB 2.866 32.444 29.700 -0.204 0.000 1.248 283 E HN -0.284 8.205 8.360 0.216 0.000 0.447 284 Y N 0.523 120.831 120.300 0.013 0.000 2.346 284 Y HA 0.725 5.552 4.550 0.083 -0.227 0.330 284 Y C 0.993 176.866 175.900 -0.045 0.000 1.178 284 Y CA -0.049 58.069 58.100 0.030 0.000 1.331 284 Y CB 0.922 39.370 38.460 -0.020 0.000 1.253 284 Y HN 0.219 8.413 8.280 -0.144 0.000 0.529 285 V N -1.204 118.790 119.914 0.132 0.000 3.007 285 V HA 0.641 4.706 4.120 -0.092 0.000 0.311 285 V C -1.718 174.288 176.094 -0.147 0.000 1.120 285 V CA -2.479 59.769 62.300 -0.086 0.000 0.980 285 V CB 3.742 35.433 31.823 -0.220 0.000 1.033 285 V HN 0.256 8.568 8.190 0.204 0.000 0.429 286 T N -1.869 112.504 114.554 -0.302 0.000 2.888 286 T HA 0.525 4.828 4.350 -0.078 0.000 0.288 286 T C -0.552 173.802 174.700 -0.577 0.000 1.063 286 T CA -1.951 60.000 62.100 -0.248 0.000 1.010 286 T CB 2.668 71.499 68.868 -0.061 0.000 1.214 286 T HN -0.173 7.887 8.240 -0.301 0.000 0.533 287 F N 0.370 120.370 119.950 0.082 0.000 2.564 287 F HA 0.425 4.959 4.527 0.013 0.000 0.368 287 F C 0.390 176.217 175.800 0.045 0.000 1.127 287 F CA -0.697 57.323 58.000 0.033 0.000 1.170 287 F CB 0.150 39.149 39.000 -0.002 0.000 1.397 287 F HN 0.374 8.781 8.300 0.179 0.000 0.493 288 Q N 4.123 124.005 119.800 0.138 0.000 2.135 288 Q HA -0.299 4.097 4.340 0.093 0.000 0.204 288 Q C -0.626 175.443 176.000 0.116 0.000 0.981 288 Q CA 2.306 58.169 55.803 0.100 0.000 0.856 288 Q CB 0.224 28.995 28.738 0.055 0.000 0.902 288 Q HN 0.269 8.588 8.270 0.081 0.000 0.425 289 D N -2.738 117.747 120.400 0.142 0.000 2.317 289 D HA 0.106 4.797 4.640 0.085 0.000 0.234 289 D C 0.334 176.706 176.300 0.120 0.000 1.112 289 D CA -0.664 53.403 54.000 0.113 0.000 0.840 289 D CB 1.300 42.157 40.800 0.095 0.000 1.078 289 D HN -0.829 7.788 8.370 0.165 -0.148 0.486 290 D N 7.336 127.779 120.400 0.072 0.000 2.178 290 D HA -0.208 4.456 4.640 0.040 0.000 0.202 290 D C 1.472 177.751 176.300 -0.035 0.000 0.974 290 D CA 2.879 56.897 54.000 0.030 0.000 0.841 290 D CB -0.204 40.616 40.800 0.033 0.000 0.953 290 D HN 0.507 8.915 8.370 0.064 0.000 0.478 291 A N -0.933 121.879 122.820 -0.013 0.000 2.070 291 A HA -0.201 4.093 4.320 -0.043 0.000 0.220 291 A C 1.070 178.613 177.584 -0.069 0.000 1.159 291 A CA 2.146 54.163 52.037 -0.034 0.000 0.656 291 A CB -0.568 18.428 19.000 -0.007 0.000 0.800 291 A HN -0.518 7.868 8.150 0.010 -0.230 0.453 292 E N -3.028 117.138 120.200 -0.056 0.000 2.204 292 E HA -0.188 4.146 4.350 -0.028 0.000 0.194 292 E C 0.328 176.670 176.600 -0.429 0.000 0.989 292 E CA 0.383 56.742 56.400 -0.067 0.000 0.824 292 E CB 0.209 30.038 29.700 0.215 0.000 0.756 292 E HN -0.663 7.664 8.360 -0.005 0.030 0.477 293 L N 2.087 122.899 121.223 -0.686 0.000 2.628 293 L HA -0.093 3.006 4.340 -2.069 0.000 0.274 293 L C -2.214 174.334 176.870 -0.536 0.000 1.209 293 L CA -1.353 52.862 54.840 -1.042 0.000 0.930 293 L CB 0.044 41.771 42.059 -0.554 0.000 1.183 293 L HN -0.820 6.996 8.230 -0.456 0.140 0.492 294 P HA -0.046 4.270 4.420 -0.173 0.000 0.265 294 P C 0.739 177.968 177.300 -0.119 0.000 1.187 294 P CA -0.155 62.829 63.100 -0.193 0.000 0.766 294 P CB 0.630 32.291 31.700 -0.064 0.000 0.820 295 L N 3.805 124.974 121.223 -0.091 0.000 2.089 295 L HA -0.470 3.840 4.340 -0.051 0.000 0.213 295 L C 1.931 178.766 176.870 -0.059 0.000 1.079 295 L CA 3.175 57.979 54.840 -0.059 0.000 0.758 295 L CB -0.344 41.690 42.059 -0.041 0.000 0.891 295 L HN 0.482 8.657 8.230 -0.091 0.000 0.433 296 A N -2.978 119.767 122.820 -0.124 0.000 1.972 296 A HA -0.090 4.312 4.320 -0.103 -0.143 0.219 296 A C 0.903 178.357 177.584 -0.217 0.000 1.169 296 A CA 2.356 54.257 52.037 -0.226 0.000 0.635 296 A CB -0.386 18.361 19.000 -0.422 0.000 0.810 296 A HN 0.053 8.096 8.150 -0.134 0.027 0.446 297 F N -5.670 114.420 119.950 0.233 0.000 2.850 297 F HA 0.226 4.974 4.527 0.369 0.000 0.306 297 F C -0.913 174.990 175.800 0.172 0.000 1.162 297 F CA -1.442 56.728 58.000 0.284 0.000 1.327 297 F CB -1.086 38.154 39.000 0.401 0.000 0.953 297 F HN -0.802 7.520 8.300 0.037 0.000 0.507 298 K N 0.888 121.405 120.400 0.196 0.000 2.202 298 K HA 0.054 4.450 4.320 0.125 0.000 0.264 298 K C -0.192 176.485 176.600 0.127 0.000 1.010 298 K CA -0.526 55.835 56.287 0.124 0.000 0.940 298 K CB 0.838 33.368 32.500 0.051 0.000 0.983 298 K HN -0.970 7.302 8.250 0.131 0.056 0.475 299 A N 2.630 125.511 122.820 0.102 0.000 2.547 299 A HA -0.020 4.360 4.320 0.101 0.000 0.233 299 A C -1.036 176.583 177.584 0.059 0.000 1.067 299 A CA -1.000 51.087 52.037 0.085 0.000 0.763 299 A CB -1.094 17.946 19.000 0.067 0.000 1.007 299 A HN 0.191 8.397 8.150 0.093 0.000 0.506 300 P HA 0.000 4.434 4.420 0.023 0.000 0.216 300 P CA 0.000 63.118 63.100 0.029 0.000 0.800 300 P CB 0.000 31.717 31.700 0.028 0.000 0.726