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 2ox4_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLKITKIEIF HVHTRPQSGQ RPILVKVSTD EGIYGLGEAG IAYGVGGSAA DATA SEQUENCE AGILKDYAAL LIGEDPFNTE AIWEKLFKKT FWGQGGGTVI FSGISAFDIA DATA SEQUENCE FWDIKGKALN LPVYKLLGGK NREDLRVYAS QLQFGWGKER KSKGRKEEYA DATA SEQUENCE EEALKAVAEG YDAVKVDVLA HDRNGSREGV FLEGPLPSET IKIGVERVEA DATA SEQUENCE IRNAVGPDVD IIVENHGHTD LVSAIQFAKA IEEFNIFFYE EINTPLNPRL DATA SEQUENCE LKEAKKKIDI PLASGERIYS RWGFLPFLED RSIDVIQPDL GTCGGFTEFK DATA SEQUENCE KIADMAHIFE VTVQAHVAGT GVAEAASLHA EIAIPNFCIH EHHQKTLLPE DATA SEQUENCE YEELCVHNYQ PVKGRYKVPE LPGIGQDITE KLYQISDYVS IEA 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 0 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 0 S C 0.000 174.578 174.600 -0.037 0.000 1.055 0 S CA 0.000 58.156 58.200 -0.073 0.000 1.107 0 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 1 L N 2.067 123.275 121.223 -0.025 0.000 2.456 1 L HA 0.431 4.762 4.340 -0.015 0.000 0.272 1 L C 0.385 177.268 176.870 0.021 0.000 1.189 1 L CA 0.448 55.306 54.840 0.029 0.000 0.846 1 L CB 0.476 42.593 42.059 0.096 0.000 1.111 1 L HN 0.194 8.424 8.230 -0.000 0.000 0.475 2 K N 3.577 123.995 120.400 0.030 0.000 2.443 2 K HA 0.485 4.796 4.320 -0.015 0.000 0.252 2 K C -0.955 175.672 176.600 0.044 0.000 0.933 2 K CA -0.792 55.507 56.287 0.020 0.000 0.792 2 K CB 2.271 34.780 32.500 0.014 0.000 1.185 2 K HN 0.399 8.649 8.250 -0.000 0.000 0.425 3 I N 2.679 123.271 120.570 0.038 0.000 2.598 3 I HA -0.081 4.081 4.170 -0.015 0.000 0.284 3 I C 1.529 177.687 176.117 0.069 0.000 1.140 3 I CA 0.591 61.937 61.300 0.076 0.000 1.420 3 I CB 0.751 38.798 38.000 0.079 0.000 1.387 3 I HN 0.798 9.008 8.210 -0.000 0.000 0.553 4 T N 1.796 116.405 114.554 0.091 0.000 2.978 4 T HA 0.207 4.548 4.350 -0.015 0.000 0.248 4 T C 0.444 175.193 174.700 0.082 0.000 1.018 4 T CA -0.176 61.969 62.100 0.076 0.000 1.026 4 T CB 0.427 69.341 68.868 0.077 0.000 1.032 4 T HN 0.512 8.752 8.240 -0.000 0.000 0.485 5 K N 0.342 120.807 120.400 0.108 0.000 2.542 5 K HA 0.650 4.962 4.320 -0.015 0.000 0.259 5 K C -2.156 174.524 176.600 0.133 0.000 0.932 5 K CA -0.869 55.481 56.287 0.105 0.000 0.820 5 K CB 2.230 34.794 32.500 0.108 0.000 1.345 5 K HN 0.181 8.431 8.250 -0.000 0.000 0.432 6 I N 2.979 123.613 120.570 0.107 0.000 2.466 6 I HA 0.281 4.442 4.170 -0.015 0.000 0.289 6 I C -0.878 175.242 176.117 0.005 0.000 1.026 6 I CA -0.614 60.768 61.300 0.136 0.000 1.078 6 I CB 2.187 40.323 38.000 0.227 0.000 1.249 6 I HN 0.531 8.741 8.210 -0.000 0.000 0.429 7 E N 6.784 126.960 120.200 -0.040 0.000 2.187 7 E HA 0.632 4.973 4.350 -0.015 0.000 0.268 7 E C -1.193 175.157 176.600 -0.417 0.000 0.896 7 E CA -0.655 55.550 56.400 -0.326 0.000 0.766 7 E CB 2.920 32.480 29.700 -0.234 0.000 1.142 7 E HN 0.398 8.758 8.360 -0.000 0.000 0.408 8 I N 2.907 123.087 120.570 -0.650 0.000 2.406 8 I HA 0.332 4.493 4.170 -0.015 0.000 0.290 8 I C -1.055 174.716 176.117 -0.576 0.000 0.999 8 I CA -0.679 60.355 61.300 -0.445 0.000 1.124 8 I CB 0.871 38.706 38.000 -0.275 0.000 1.289 8 I HN 0.394 8.604 8.210 -0.000 0.000 0.441 9 F N 4.305 124.197 119.950 -0.098 0.000 2.382 9 F HA 0.306 4.821 4.527 -0.020 0.000 0.361 9 F C 0.390 176.200 175.800 0.016 0.000 1.109 9 F CA -0.542 57.430 58.000 -0.047 0.000 1.031 9 F CB 0.625 39.569 39.000 -0.095 0.000 1.234 9 F HN 0.467 8.767 8.300 -0.000 0.000 0.445 10 H N 3.841 122.937 119.070 0.043 0.000 2.872 10 H HA 0.432 4.979 4.556 -0.014 0.000 0.273 10 H C -0.539 174.807 175.328 0.030 0.000 1.205 10 H CA -0.660 55.405 56.048 0.029 0.000 1.342 10 H CB 0.677 30.446 29.762 0.010 0.000 1.469 10 H HN 0.407 8.687 8.280 -0.000 0.000 0.487 11 V N 5.501 125.478 119.914 0.106 0.000 2.655 11 V HA -0.074 4.038 4.120 -0.015 0.000 0.300 11 V C 0.616 176.657 176.094 -0.089 0.000 1.044 11 V CA 0.092 62.358 62.300 -0.056 0.000 1.095 11 V CB 0.276 32.068 31.823 -0.052 0.000 0.952 11 V HN 0.873 9.063 8.190 -0.000 0.000 0.485 12 H N 1.822 120.825 119.070 -0.111 0.000 2.852 12 H HA 0.063 4.608 4.556 -0.019 0.000 0.362 12 H C 0.739 175.986 175.328 -0.134 0.000 1.122 12 H CA -0.394 55.572 56.048 -0.137 0.000 1.419 12 H CB 0.325 30.032 29.762 -0.092 0.000 1.401 12 H HN 0.693 8.973 8.280 -0.000 0.000 0.609 13 T N 4.560 119.117 114.554 0.005 0.000 2.656 13 T HA -0.101 4.240 4.350 -0.015 0.000 0.258 13 T C 0.524 175.187 174.700 -0.060 0.000 1.020 13 T CA 0.050 62.127 62.100 -0.040 0.000 1.191 13 T CB -0.143 68.698 68.868 -0.045 0.000 1.004 13 T HN 0.297 8.537 8.240 -0.000 0.000 0.498 14 R N 5.344 125.781 120.500 -0.106 0.000 2.296 14 R HA 0.130 4.461 4.340 -0.015 0.000 0.323 14 R C -1.873 174.375 176.300 -0.086 0.000 1.067 14 R CA -2.337 53.673 56.100 -0.150 0.000 0.946 14 R CB 0.170 30.288 30.300 -0.302 0.000 0.991 14 R HN 0.412 8.682 8.270 -0.000 0.000 0.448 15 P HA -0.194 4.226 4.420 -0.000 0.000 0.214 15 P C 1.119 178.394 177.300 -0.041 0.000 1.163 15 P CA 1.385 64.457 63.100 -0.048 0.000 0.889 15 P CB 0.321 31.996 31.700 -0.043 0.000 0.790 16 Q N -0.867 118.909 119.800 -0.041 0.000 2.062 16 Q HA -0.073 4.258 4.340 -0.015 0.000 0.196 16 Q C 2.316 178.287 176.000 -0.049 0.000 0.967 16 Q CA 1.942 57.721 55.803 -0.039 0.000 0.832 16 Q CB -0.370 28.347 28.738 -0.034 0.000 0.899 16 Q HN 0.321 8.591 8.270 -0.000 0.000 0.442 17 S N -1.346 114.337 115.700 -0.028 0.000 2.436 17 S HA 0.074 4.535 4.470 -0.015 0.000 0.228 17 S C 1.540 176.126 174.600 -0.022 0.000 1.014 17 S CA 0.721 58.905 58.200 -0.026 0.000 0.950 17 S CB 0.274 63.528 63.200 0.089 0.000 0.784 17 S HN 0.532 8.842 8.310 -0.000 0.000 0.504 18 G N 0.661 109.451 108.800 -0.016 0.000 2.159 18 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.256 18 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.256 18 G C -0.133 174.781 174.900 0.024 0.000 0.977 18 G CA 0.310 45.407 45.100 -0.005 0.000 0.652 18 G HN 0.617 8.907 8.290 -0.000 0.000 0.531 19 Q N -0.756 119.069 119.800 0.041 0.000 2.212 19 Q HA 0.735 5.066 4.340 -0.015 0.000 0.238 19 Q C 0.387 176.415 176.000 0.047 0.000 0.955 19 Q CA -0.587 55.278 55.803 0.102 0.000 0.906 19 Q CB 0.979 29.849 28.738 0.220 0.000 1.215 19 Q HN 0.298 8.568 8.270 -0.000 0.000 0.478 20 R N 1.562 122.125 120.500 0.104 0.000 2.680 20 R HA 0.325 4.656 4.340 -0.015 0.000 0.278 20 R C -2.652 173.760 176.300 0.187 0.000 1.582 20 R CA -1.799 54.358 56.100 0.094 0.000 1.177 20 R CB 1.345 31.693 30.300 0.081 0.000 1.232 20 R HN 0.415 8.685 8.270 -0.000 0.000 0.528 21 P HA 0.113 4.533 4.420 -0.000 0.000 0.269 21 P C -0.548 176.854 177.300 0.169 0.000 1.215 21 P CA -0.117 63.082 63.100 0.166 0.000 0.780 21 P CB 0.679 32.470 31.700 0.153 0.000 0.898 22 I N 2.061 122.693 120.570 0.104 0.000 2.410 22 I HA 0.348 4.509 4.170 -0.015 0.000 0.286 22 I C -0.301 175.833 176.117 0.028 0.000 1.009 22 I CA -0.076 61.253 61.300 0.048 0.000 1.111 22 I CB 0.989 38.936 38.000 -0.088 0.000 1.262 22 I HN 0.058 8.268 8.210 -0.000 0.000 0.443 23 L N 6.135 127.404 121.223 0.076 0.000 2.333 23 L HA 0.797 5.128 4.340 -0.015 0.000 0.269 23 L C -0.661 176.277 176.870 0.112 0.000 1.010 23 L CA -1.155 53.731 54.840 0.077 0.000 0.818 23 L CB 2.339 44.436 42.059 0.063 0.000 1.306 23 L HN 0.332 8.562 8.230 -0.000 0.000 0.430 24 V N 2.440 122.373 119.914 0.031 0.000 2.656 24 V HA 0.473 4.584 4.120 -0.015 0.000 0.307 24 V C -0.972 175.183 176.094 0.101 0.000 1.051 24 V CA -0.541 61.752 62.300 -0.012 0.000 0.893 24 V CB 2.138 33.764 31.823 -0.328 0.000 0.999 24 V HN 0.775 8.965 8.190 -0.000 0.000 0.426 25 K N 5.308 125.822 120.400 0.189 0.000 2.394 25 K HA 0.691 5.002 4.320 -0.015 0.000 0.260 25 K C -1.757 174.977 176.600 0.224 0.000 0.967 25 K CA -0.537 55.884 56.287 0.222 0.000 0.855 25 K CB 1.859 34.517 32.500 0.263 0.000 1.101 25 K HN 0.536 8.786 8.250 -0.000 0.000 0.433 26 V N 3.574 123.653 119.914 0.276 0.000 2.328 26 V HA 0.263 4.374 4.120 -0.015 0.000 0.278 26 V C -0.370 175.919 176.094 0.324 0.000 1.021 26 V CA -0.608 61.885 62.300 0.321 0.000 0.838 26 V CB 1.308 33.375 31.823 0.408 0.000 0.999 26 V HN 0.784 8.974 8.190 -0.000 0.000 0.447 27 S N 3.256 119.118 115.700 0.271 0.000 2.608 27 S HA 0.767 5.228 4.470 -0.015 0.000 0.291 27 S C 0.305 175.032 174.600 0.213 0.000 1.146 27 S CA -0.610 57.750 58.200 0.267 0.000 1.043 27 S CB 1.893 65.223 63.200 0.216 0.000 1.037 27 S HN 0.936 9.246 8.310 -0.000 0.000 0.520 28 T N -1.744 112.927 114.554 0.195 0.000 2.926 28 T HA 0.389 4.731 4.350 -0.015 0.000 0.289 28 T C 0.579 175.348 174.700 0.116 0.000 1.054 28 T CA -0.775 61.411 62.100 0.143 0.000 1.015 28 T CB 1.010 69.959 68.868 0.135 0.000 1.167 28 T HN 0.492 8.732 8.240 -0.000 0.000 0.526 29 D N 0.212 120.663 120.400 0.085 0.000 2.182 29 D HA -0.163 4.469 4.640 -0.015 0.000 0.201 29 D C 1.123 177.463 176.300 0.067 0.000 0.986 29 D CA 1.218 55.259 54.000 0.067 0.000 0.847 29 D CB -0.376 40.452 40.800 0.046 0.000 0.942 29 D HN 0.836 9.206 8.370 -0.000 0.000 0.467 30 E N -0.544 119.697 120.200 0.070 0.000 2.476 30 E HA 0.283 4.624 4.350 -0.015 0.000 0.191 30 E C 1.171 177.817 176.600 0.077 0.000 1.064 30 E CA 0.271 56.709 56.400 0.062 0.000 0.866 30 E CB 0.157 29.887 29.700 0.050 0.000 0.952 30 E HN 0.489 8.849 8.360 -0.000 0.000 0.492 31 G N 1.612 110.474 108.800 0.104 0.000 2.199 31 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.254 31 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.254 31 G C 0.369 175.361 174.900 0.154 0.000 0.982 31 G CA -0.036 45.144 45.100 0.133 0.000 0.632 31 G HN 0.261 8.551 8.290 -0.000 0.000 0.529 32 I N 1.482 122.118 120.570 0.109 0.000 2.556 32 I HA 0.476 4.637 4.170 -0.015 0.000 0.284 32 I C 0.764 176.972 176.117 0.151 0.000 1.114 32 I CA -0.739 60.593 61.300 0.054 0.000 1.418 32 I CB 0.284 38.313 38.000 0.049 0.000 1.394 32 I HN 0.325 8.535 8.210 -0.000 0.000 0.552 33 Y N 3.653 124.028 120.300 0.125 0.000 2.602 33 Y HA 0.929 5.472 4.550 -0.012 0.000 0.342 33 Y C -0.069 175.919 175.900 0.147 0.000 1.029 33 Y CA -1.216 56.972 58.100 0.146 0.000 1.080 33 Y CB 1.413 39.965 38.460 0.155 0.000 1.284 33 Y HN 0.515 8.795 8.280 -0.000 0.000 0.485 34 G N 1.911 110.950 108.800 0.397 0.000 2.563 34 G HA2 0.609 4.560 3.960 -0.015 0.000 0.302 34 G HA3 0.609 4.560 3.960 -0.015 0.000 0.302 34 G C -2.114 172.975 174.900 0.315 0.000 1.301 34 G CA -0.983 44.295 45.100 0.297 0.000 0.965 34 G HN 0.571 8.861 8.290 -0.000 0.000 0.480 35 L N 0.929 122.302 121.223 0.249 0.000 2.329 35 L HA 0.804 5.135 4.340 -0.015 0.000 0.279 35 L C 0.650 177.590 176.870 0.117 0.000 1.014 35 L CA -0.236 54.714 54.840 0.183 0.000 0.814 35 L CB 1.233 43.402 42.059 0.183 0.000 1.257 35 L HN 0.768 8.998 8.230 -0.000 0.000 0.424 36 G N 1.883 110.711 108.800 0.047 0.000 2.733 36 G HA2 0.637 4.588 3.960 -0.015 0.000 0.288 36 G HA3 0.637 4.588 3.960 -0.015 0.000 0.288 36 G C -1.633 173.246 174.900 -0.036 0.000 1.373 36 G CA -0.292 44.800 45.100 -0.012 0.000 0.895 36 G HN 0.505 8.795 8.290 -0.000 0.000 0.479 37 E N -0.846 119.324 120.200 -0.050 0.000 2.308 37 E HA 0.587 4.928 4.350 -0.015 0.000 0.275 37 E C -0.637 175.938 176.600 -0.041 0.000 0.890 37 E CA -0.896 55.487 56.400 -0.028 0.000 0.754 37 E CB 2.033 31.745 29.700 0.020 0.000 1.207 37 E HN 0.758 9.118 8.360 -0.000 0.000 0.426 38 A N 2.590 125.381 122.820 -0.050 0.000 2.301 38 A HA 0.553 4.864 4.320 -0.015 0.000 0.298 38 A C 0.662 178.252 177.584 0.011 0.000 1.185 38 A CA 0.031 52.042 52.037 -0.043 0.000 0.830 38 A CB 0.886 19.825 19.000 -0.103 0.000 1.112 38 A HN 0.682 8.832 8.150 -0.000 0.000 0.508 39 G N 1.696 110.524 108.800 0.047 0.000 3.452 39 G HA2 0.390 4.341 3.960 -0.015 0.000 0.258 39 G HA3 0.390 4.341 3.960 -0.015 0.000 0.258 39 G C 0.158 175.096 174.900 0.064 0.000 1.305 39 G CA 0.008 45.179 45.100 0.119 0.000 1.514 39 G HN 0.561 8.851 8.290 -0.000 0.000 0.593 40 I N 1.089 121.653 120.570 -0.009 0.000 3.399 40 I HA 0.235 4.396 4.170 -0.015 0.000 0.345 40 I C 1.579 177.669 176.117 -0.045 0.000 1.512 40 I CA -0.819 60.418 61.300 -0.106 0.000 1.047 40 I CB 0.027 37.953 38.000 -0.122 0.000 1.552 40 I HN 0.189 8.399 8.210 -0.000 0.000 0.494 41 A N 1.224 124.097 122.820 0.088 0.000 2.067 41 A HA -0.003 4.308 4.320 -0.015 0.000 0.217 41 A C 0.905 178.643 177.584 0.257 0.000 1.156 41 A CA 0.889 53.051 52.037 0.209 0.000 0.683 41 A CB -0.206 18.982 19.000 0.313 0.000 0.808 41 A HN 0.511 8.661 8.150 -0.000 0.000 0.455 42 Y N -3.958 116.419 120.300 0.129 0.000 2.650 42 Y HA 0.637 5.177 4.550 -0.016 0.000 0.331 42 Y C 0.852 176.809 175.900 0.094 0.000 1.082 42 Y CA -1.280 56.887 58.100 0.111 0.000 1.171 42 Y CB 0.191 38.725 38.460 0.124 0.000 1.326 42 Y HN 0.719 8.999 8.280 -0.000 0.000 0.513 43 G N -0.060 108.832 108.800 0.154 0.000 2.645 43 G HA2 -0.146 3.805 3.960 -0.015 0.000 0.246 43 G HA3 -0.146 3.805 3.960 -0.015 0.000 0.246 43 G C -1.477 173.434 174.900 0.017 0.000 1.322 43 G CA -0.333 44.796 45.100 0.049 0.000 0.898 43 G HN 1.118 9.408 8.290 -0.000 0.000 0.573 44 V N 0.724 120.637 119.914 -0.001 0.000 2.357 44 V HA 0.719 4.830 4.120 -0.015 0.000 0.284 44 V C 1.126 177.205 176.094 -0.024 0.000 1.018 44 V CA 1.022 63.324 62.300 0.003 0.000 0.841 44 V CB 0.513 32.343 31.823 0.012 0.000 0.991 44 V HN 2.554 10.744 8.190 -0.000 0.000 0.437 45 G N 3.283 112.068 108.800 -0.025 0.000 3.732 45 G HA2 -0.069 3.882 3.960 -0.015 0.000 0.220 45 G HA3 -0.069 3.882 3.960 -0.015 0.000 0.220 45 G C 0.935 175.784 174.900 -0.084 0.000 0.903 45 G CA 0.270 45.336 45.100 -0.057 0.000 0.896 45 G HN 1.002 9.292 8.290 -0.000 0.000 0.685 46 G N 1.540 110.309 108.800 -0.052 0.000 2.469 46 G HA2 -0.140 3.812 3.960 -0.015 0.000 0.219 46 G HA3 -0.140 3.812 3.960 -0.015 0.000 0.219 46 G C 1.893 176.568 174.900 -0.375 0.000 1.150 46 G CA 2.209 47.229 45.100 -0.134 0.000 0.763 46 G HN 0.706 8.996 8.290 -0.000 0.000 0.561 47 S N 1.046 116.657 115.700 -0.149 0.000 2.399 47 S HA 0.020 4.481 4.470 -0.015 0.000 0.231 47 S C 2.720 177.215 174.600 -0.176 0.000 1.022 47 S CA 1.094 59.209 58.200 -0.142 0.000 0.983 47 S CB -0.291 62.939 63.200 0.050 0.000 0.803 47 S HN 0.626 8.936 8.310 -0.000 0.000 0.480 48 A N 1.652 124.379 122.820 -0.154 0.000 1.930 48 A HA 0.165 4.476 4.320 -0.015 0.000 0.217 48 A C 2.366 179.825 177.584 -0.208 0.000 1.175 48 A CA 1.550 53.490 52.037 -0.162 0.000 0.627 48 A CB -1.020 17.896 19.000 -0.141 0.000 0.815 48 A HN 0.514 8.664 8.150 -0.000 0.000 0.443 49 A N -0.054 122.627 122.820 -0.232 0.000 1.902 49 A HA 0.176 4.487 4.320 -0.015 0.000 0.217 49 A C 2.503 179.925 177.584 -0.270 0.000 1.181 49 A CA 1.997 53.888 52.037 -0.244 0.000 0.623 49 A CB -1.022 17.844 19.000 -0.223 0.000 0.818 49 A HN 1.047 9.197 8.150 -0.000 0.000 0.443 50 A N -0.429 122.195 122.820 -0.328 0.000 1.908 50 A HA 0.068 4.379 4.320 -0.015 0.000 0.218 50 A C 2.400 179.867 177.584 -0.195 0.000 1.181 50 A CA 2.064 53.937 52.037 -0.274 0.000 0.627 50 A CB -1.372 17.445 19.000 -0.305 0.000 0.818 50 A HN 0.725 8.875 8.150 -0.000 0.000 0.445 51 G N -0.394 108.296 108.800 -0.183 0.000 2.402 51 G HA2 -0.131 3.820 3.960 -0.015 0.000 0.216 51 G HA3 -0.131 3.820 3.960 -0.015 0.000 0.216 51 G C 1.473 176.260 174.900 -0.187 0.000 1.162 51 G CA 1.090 46.099 45.100 -0.152 0.000 0.777 51 G HN 0.431 8.721 8.290 -0.000 0.000 0.539 52 I N 0.691 121.103 120.570 -0.265 0.000 2.286 52 I HA -0.061 4.100 4.170 -0.015 0.000 0.248 52 I C 2.608 178.464 176.117 -0.436 0.000 1.115 52 I CA 0.887 61.924 61.300 -0.438 0.000 1.392 52 I CB -0.087 37.590 38.000 -0.537 0.000 1.065 52 I HN 0.125 8.335 8.210 -0.000 0.000 0.418 53 L N 0.034 121.116 121.223 -0.235 0.000 2.056 53 L HA -0.236 4.095 4.340 -0.015 0.000 0.207 53 L C 2.549 179.498 176.870 0.131 0.000 1.078 53 L CA 1.593 56.422 54.840 -0.018 0.000 0.749 53 L CB -0.785 41.155 42.059 -0.198 0.000 0.901 53 L HN 0.221 8.451 8.230 -0.000 0.000 0.433 54 K N 0.201 120.594 120.400 -0.011 0.000 2.032 54 K HA -0.228 4.083 4.320 -0.015 0.000 0.209 54 K C 1.649 178.273 176.600 0.039 0.000 1.048 54 K CA 2.006 58.296 56.287 0.005 0.000 0.927 54 K CB -0.012 32.456 32.500 -0.053 0.000 0.712 54 K HN 0.229 8.479 8.250 -0.000 0.000 0.441 55 D N -0.229 120.175 120.400 0.006 0.000 2.117 55 D HA -0.148 4.483 4.640 -0.015 0.000 0.198 55 D C 1.805 178.223 176.300 0.196 0.000 0.982 55 D CA 1.214 55.250 54.000 0.060 0.000 0.828 55 D CB -0.385 40.425 40.800 0.017 0.000 0.967 55 D HN 0.403 8.773 8.370 -0.000 0.000 0.464 56 Y N 0.939 121.282 120.300 0.070 0.000 2.293 56 Y HA -0.138 4.403 4.550 -0.015 0.000 0.291 56 Y C 2.514 178.350 175.900 -0.107 0.000 1.137 56 Y CA 0.245 58.354 58.100 0.016 0.000 1.202 56 Y CB 0.018 38.542 38.460 0.108 0.000 0.990 56 Y HN -0.061 8.219 8.280 -0.000 0.000 0.537 57 A N 0.640 123.539 122.820 0.132 0.000 1.940 57 A HA -0.249 4.062 4.320 -0.015 0.000 0.219 57 A C 2.395 179.969 177.584 -0.017 0.000 1.176 57 A CA 1.719 53.760 52.037 0.006 0.000 0.631 57 A CB -0.955 18.135 19.000 0.150 0.000 0.814 57 A HN 0.441 8.591 8.150 -0.000 0.000 0.446 58 A N -0.974 121.859 122.820 0.023 0.000 1.972 58 A HA 0.023 4.334 4.320 -0.015 0.000 0.219 58 A C 1.822 179.399 177.584 -0.011 0.000 1.169 58 A CA 1.577 53.620 52.037 0.011 0.000 0.635 58 A CB -0.397 18.618 19.000 0.025 0.000 0.810 58 A HN 0.414 8.564 8.150 -0.000 0.000 0.446 59 L N -0.962 120.246 121.223 -0.025 0.000 2.554 59 L HA 0.134 4.465 4.340 -0.015 0.000 0.226 59 L C 1.855 178.677 176.870 -0.078 0.000 1.137 59 L CA 0.861 55.671 54.840 -0.050 0.000 0.863 59 L CB -0.111 41.907 42.059 -0.067 0.000 0.985 59 L HN 0.342 8.572 8.230 -0.000 0.000 0.451 60 L N -1.579 119.584 121.223 -0.099 0.000 2.537 60 L HA 0.183 4.514 4.340 -0.015 0.000 0.224 60 L C 0.518 177.353 176.870 -0.057 0.000 1.065 60 L CA -0.425 54.347 54.840 -0.114 0.000 0.860 60 L CB 0.260 42.185 42.059 -0.224 0.000 1.086 60 L HN -0.058 8.172 8.230 -0.000 0.000 0.482 61 I N 1.794 122.346 120.570 -0.031 0.000 2.821 61 I HA -0.014 4.147 4.170 -0.015 0.000 0.294 61 I C 1.505 177.616 176.117 -0.011 0.000 1.210 61 I CA 1.480 62.779 61.300 -0.002 0.000 1.430 61 I CB -0.421 37.584 38.000 0.009 0.000 1.356 61 I HN 0.468 8.678 8.210 -0.000 0.000 0.563 62 G N 5.004 113.801 108.800 -0.004 0.000 2.217 62 G HA2 -0.191 3.760 3.960 -0.015 0.000 0.246 62 G HA3 -0.191 3.760 3.960 -0.015 0.000 0.246 62 G C 0.350 175.231 174.900 -0.031 0.000 0.990 62 G CA -0.326 44.767 45.100 -0.012 0.000 0.627 62 G HN 0.580 8.870 8.290 -0.000 0.000 0.522 63 E N 0.957 121.124 120.200 -0.055 0.000 2.374 63 E HA 0.341 4.682 4.350 -0.015 0.000 0.260 63 E C -0.607 175.930 176.600 -0.106 0.000 1.101 63 E CA -0.395 55.949 56.400 -0.095 0.000 0.907 63 E CB 0.885 30.495 29.700 -0.150 0.000 1.014 63 E HN 0.250 8.610 8.360 -0.000 0.000 0.427 64 D N 2.101 122.433 120.400 -0.112 0.000 2.313 64 D HA 0.103 4.734 4.640 -0.015 0.000 0.239 64 D C -1.663 174.531 176.300 -0.177 0.000 1.142 64 D CA -2.234 51.716 54.000 -0.083 0.000 0.847 64 D CB 1.118 41.894 40.800 -0.040 0.000 1.082 64 D HN -0.001 8.369 8.370 -0.000 0.000 0.480 65 P HA -0.117 4.303 4.420 -0.000 0.000 0.225 65 P C 1.282 178.387 177.300 -0.325 0.000 1.148 65 P CA 0.588 63.444 63.100 -0.405 0.000 0.779 65 P CB 0.020 31.648 31.700 -0.119 0.000 0.780 66 F N 0.285 120.084 119.950 -0.252 0.000 2.502 66 F HA -0.011 4.507 4.527 -0.015 0.000 0.298 66 F C 1.311 176.972 175.800 -0.232 0.000 1.111 66 F CA 0.738 58.593 58.000 -0.242 0.000 1.445 66 F CB -0.876 38.023 39.000 -0.169 0.000 1.081 66 F HN -0.103 8.197 8.300 -0.000 0.000 0.558 67 N N 0.277 118.936 118.700 -0.070 0.000 3.259 67 N HA 0.004 4.735 4.740 -0.015 0.000 0.308 67 N C 1.447 176.911 175.510 -0.077 0.000 1.334 67 N CA 0.453 53.467 53.050 -0.061 0.000 1.202 67 N CB -0.336 38.120 38.487 -0.051 0.000 1.485 67 N HN 0.260 8.640 8.380 -0.000 0.000 0.549 68 T N -2.224 112.273 114.554 -0.094 0.000 2.788 68 T HA -0.087 4.254 4.350 -0.015 0.000 0.268 68 T C 1.463 176.298 174.700 0.224 0.000 1.044 68 T CA 0.871 63.006 62.100 0.058 0.000 1.139 68 T CB 0.185 69.044 68.868 -0.015 0.000 0.867 68 T HN 0.130 8.370 8.240 -0.000 0.000 0.454 69 E N 1.812 122.109 120.200 0.162 0.000 2.051 69 E HA -0.015 4.326 4.350 -0.015 0.000 0.192 69 E C 2.691 179.431 176.600 0.233 0.000 0.991 69 E CA 1.381 57.901 56.400 0.200 0.000 0.799 69 E CB -0.670 29.108 29.700 0.130 0.000 0.748 69 E HN 0.672 9.032 8.360 -0.000 0.000 0.449 70 A N 1.131 124.043 122.820 0.153 0.000 1.898 70 A HA -0.125 4.186 4.320 -0.015 0.000 0.216 70 A C 2.322 179.996 177.584 0.151 0.000 1.181 70 A CA 1.016 53.132 52.037 0.132 0.000 0.620 70 A CB -0.599 18.440 19.000 0.065 0.000 0.819 70 A HN 0.151 8.301 8.150 -0.000 0.000 0.442 71 I N -2.832 117.821 120.570 0.137 0.000 2.252 71 I HA -0.258 3.903 4.170 -0.015 0.000 0.245 71 I C 2.413 178.669 176.117 0.231 0.000 1.102 71 I CA 1.370 62.745 61.300 0.124 0.000 1.385 71 I CB -0.312 37.727 38.000 0.065 0.000 1.064 71 I HN 0.648 8.858 8.210 -0.000 0.000 0.414 72 W N 1.924 123.334 121.300 0.182 0.000 2.335 72 W HA -0.304 4.348 4.660 -0.015 0.000 0.311 72 W C 2.649 179.298 176.519 0.216 0.000 1.213 72 W CA 2.068 59.547 57.345 0.223 0.000 1.274 72 W CB 0.027 29.640 29.460 0.254 0.000 1.148 72 W HN 0.070 8.250 8.180 -0.000 0.000 0.498 73 E N 0.629 121.186 120.200 0.595 0.000 2.110 73 E HA -0.248 4.094 4.350 -0.015 0.000 0.193 73 E C 2.043 178.818 176.600 0.291 0.000 0.988 73 E CA 1.827 58.541 56.400 0.522 0.000 0.804 73 E CB -0.370 29.562 29.700 0.388 0.000 0.745 73 E HN 0.215 8.575 8.360 -0.000 0.000 0.458 74 K N -0.049 120.448 120.400 0.162 0.000 2.026 74 K HA -0.121 4.190 4.320 -0.015 0.000 0.208 74 K C 2.041 178.609 176.600 -0.054 0.000 1.048 74 K CA 1.473 57.782 56.287 0.037 0.000 0.929 74 K CB -0.175 32.328 32.500 0.006 0.000 0.713 74 K HN 0.212 8.462 8.250 -0.000 0.000 0.439 75 L N 0.156 121.307 121.223 -0.119 0.000 2.156 75 L HA -0.112 4.219 4.340 -0.015 0.000 0.208 75 L C 2.384 179.110 176.870 -0.239 0.000 1.095 75 L CA 0.475 55.103 54.840 -0.353 0.000 0.770 75 L CB -0.394 41.326 42.059 -0.564 0.000 0.914 75 L HN 0.202 8.432 8.230 -0.000 0.000 0.439 76 F N 1.145 120.933 119.950 -0.270 0.000 2.113 76 F HA -0.154 4.364 4.527 -0.015 0.000 0.297 76 F C 2.331 178.040 175.800 -0.150 0.000 1.103 76 F CA 1.569 59.450 58.000 -0.199 0.000 1.248 76 F CB -0.019 39.010 39.000 0.050 0.000 0.999 76 F HN -0.134 8.166 8.300 -0.000 0.000 0.475 77 K N -0.519 119.779 120.400 -0.170 0.000 2.348 77 K HA 0.120 4.431 4.320 -0.015 0.000 0.194 77 K C 1.322 177.801 176.600 -0.202 0.000 1.052 77 K CA 0.305 56.418 56.287 -0.290 0.000 1.004 77 K CB 0.274 32.688 32.500 -0.144 0.000 0.873 77 K HN 0.183 8.433 8.250 -0.000 0.000 0.523 78 K N 0.654 120.973 120.400 -0.135 0.000 2.358 78 K HA 0.091 4.402 4.320 -0.015 0.000 0.200 78 K C 1.329 177.881 176.600 -0.080 0.000 1.030 78 K CA 0.454 56.686 56.287 -0.092 0.000 1.097 78 K CB 0.911 33.374 32.500 -0.062 0.000 0.862 78 K HN 0.153 8.403 8.250 -0.000 0.000 0.534 79 T N -2.566 111.924 114.554 -0.106 0.000 3.060 79 T HA 0.087 4.429 4.350 -0.015 0.000 0.249 79 T C 1.131 175.806 174.700 -0.042 0.000 1.079 79 T CA -0.155 61.927 62.100 -0.030 0.000 1.013 79 T CB -0.330 68.537 68.868 -0.002 0.000 0.975 79 T HN 0.143 8.383 8.240 -0.000 0.000 0.518 80 F N 0.309 120.040 119.950 -0.364 0.000 2.559 80 F HA -0.363 4.155 4.527 -0.015 0.000 0.681 80 F C 0.690 176.084 175.800 -0.676 0.000 0.488 80 F CA 1.820 59.441 58.000 -0.631 0.000 0.759 80 F CB -1.441 37.013 39.000 -0.911 0.000 1.634 80 F HN 0.325 8.625 8.300 -0.000 0.000 0.264 81 W N 0.722 122.045 121.300 0.039 0.000 2.678 81 W HA 0.248 4.900 4.660 -0.015 0.000 0.256 81 W C 2.353 178.770 176.519 -0.170 0.000 1.280 81 W CA 0.851 58.167 57.345 -0.048 0.000 1.345 81 W CB -1.110 28.368 29.460 0.030 0.000 1.118 81 W HN 0.384 8.564 8.180 -0.000 0.000 0.629 82 G N 0.944 109.700 108.800 -0.073 0.000 2.513 82 G HA2 -0.325 3.626 3.960 -0.015 0.000 0.219 82 G HA3 -0.325 3.626 3.960 -0.015 0.000 0.219 82 G C 1.358 176.119 174.900 -0.232 0.000 1.160 82 G CA 1.064 46.062 45.100 -0.172 0.000 0.767 82 G HN 0.337 8.627 8.290 -0.000 0.000 0.571 83 Q N -0.072 119.453 119.800 -0.458 0.000 2.472 83 Q HA 0.112 4.443 4.340 -0.015 0.000 0.208 83 Q C 2.541 178.397 176.000 -0.240 0.000 0.958 83 Q CA 0.512 56.006 55.803 -0.516 0.000 0.932 83 Q CB 0.120 28.461 28.738 -0.662 0.000 1.007 83 Q HN 0.470 8.740 8.270 -0.000 0.000 0.508 84 G N -0.106 108.612 108.800 -0.137 0.000 2.744 84 G HA2 0.337 4.288 3.960 -0.015 0.000 0.211 84 G HA3 0.337 4.288 3.960 -0.015 0.000 0.211 84 G C 0.645 175.576 174.900 0.051 0.000 1.146 84 G CA 0.262 45.365 45.100 0.004 0.000 0.787 84 G HN 0.482 8.772 8.290 -0.000 0.000 0.534 85 G N -1.263 107.523 108.800 -0.022 0.000 2.782 85 G HA2 0.456 4.407 3.960 -0.015 0.000 0.228 85 G HA3 0.456 4.407 3.960 -0.015 0.000 0.228 85 G C 0.259 175.139 174.900 -0.034 0.000 1.372 85 G CA 0.010 45.085 45.100 -0.042 0.000 0.862 85 G HN 2.124 10.414 8.290 -0.000 0.000 0.547 86 G N -3.498 105.371 108.800 0.116 0.000 2.334 86 G HA2 0.497 4.448 3.960 -0.015 0.000 0.566 86 G HA3 0.497 4.448 3.960 -0.015 0.000 0.566 86 G C 0.612 175.433 174.900 -0.132 0.000 1.413 86 G CA 0.590 45.737 45.100 0.078 0.000 0.993 86 G HN 1.759 10.049 8.290 -0.000 0.000 0.642 87 T N 0.054 114.413 114.554 -0.324 0.000 2.624 87 T HA -0.181 4.160 4.350 -0.015 0.000 0.268 87 T C 2.562 177.022 174.700 -0.399 0.000 1.041 87 T CA 2.449 64.114 62.100 -0.725 0.000 1.159 87 T CB -0.307 68.376 68.868 -0.307 0.000 0.863 87 T HN 0.682 8.922 8.240 -0.000 0.000 0.434 88 V N 1.385 121.155 119.914 -0.240 0.000 2.407 88 V HA -0.076 4.035 4.120 -0.015 0.000 0.245 88 V C 2.530 178.512 176.094 -0.186 0.000 1.041 88 V CA 0.894 63.074 62.300 -0.200 0.000 1.040 88 V CB -0.577 31.135 31.823 -0.184 0.000 0.671 88 V HN 0.388 8.578 8.190 -0.000 0.000 0.455 89 I N -0.038 120.417 120.570 -0.191 0.000 2.118 89 I HA -0.264 3.897 4.170 -0.015 0.000 0.241 89 I C 2.382 178.396 176.117 -0.171 0.000 1.070 89 I CA 2.147 63.335 61.300 -0.187 0.000 1.327 89 I CB -1.228 36.597 38.000 -0.293 0.000 1.034 89 I HN 0.273 8.483 8.210 -0.000 0.000 0.405 90 F N 0.679 120.602 119.950 -0.045 0.000 2.367 90 F HA -0.089 4.429 4.527 -0.015 0.000 0.298 90 F C 2.674 178.470 175.800 -0.007 0.000 1.094 90 F CA 0.657 58.648 58.000 -0.015 0.000 1.409 90 F CB -0.300 38.723 39.000 0.038 0.000 1.064 90 F HN -0.034 8.266 8.300 -0.000 0.000 0.528 91 S N 0.044 115.782 115.700 0.063 0.000 2.382 91 S HA -0.149 4.312 4.470 -0.015 0.000 0.228 91 S C 2.399 177.011 174.600 0.020 0.000 1.027 91 S CA 1.204 59.414 58.200 0.017 0.000 0.991 91 S CB -0.861 62.292 63.200 -0.078 0.000 0.823 91 S HN 0.529 8.839 8.310 -0.000 0.000 0.469 92 G N 1.619 110.435 108.800 0.028 0.000 2.402 92 G HA2 -0.088 3.863 3.960 -0.015 0.000 0.216 92 G HA3 -0.088 3.863 3.960 -0.015 0.000 0.216 92 G C 1.326 176.457 174.900 0.385 0.000 1.162 92 G CA 0.499 45.656 45.100 0.094 0.000 0.777 92 G HN 0.486 8.776 8.290 -0.000 0.000 0.539 93 I N 1.138 121.926 120.570 0.363 0.000 2.226 93 I HA -0.182 3.979 4.170 -0.015 0.000 0.245 93 I C 3.021 179.256 176.117 0.197 0.000 1.100 93 I CA 1.105 62.505 61.300 0.167 0.000 1.374 93 I CB -0.349 37.526 38.000 -0.207 0.000 1.057 93 I HN 0.104 8.314 8.210 -0.000 0.000 0.413 94 S N 1.045 116.866 115.700 0.202 0.000 2.353 94 S HA -0.219 4.242 4.470 -0.015 0.000 0.222 94 S C 2.293 176.936 174.600 0.072 0.000 1.035 94 S CA 1.585 59.897 58.200 0.186 0.000 1.025 94 S CB -0.481 62.814 63.200 0.158 0.000 0.902 94 S HN 0.563 8.873 8.310 -0.000 0.000 0.440 95 A N 0.746 123.548 122.820 -0.029 0.000 1.902 95 A HA -0.017 4.295 4.320 -0.015 0.000 0.217 95 A C 1.926 179.361 177.584 -0.250 0.000 1.181 95 A CA 1.306 53.242 52.037 -0.170 0.000 0.623 95 A CB -0.962 17.863 19.000 -0.292 0.000 0.818 95 A HN 0.485 8.635 8.150 -0.000 0.000 0.443 96 F N -0.126 119.732 119.950 -0.154 0.000 2.102 96 F HA -0.194 4.324 4.527 -0.015 0.000 0.298 96 F C 2.189 177.483 175.800 -0.842 0.000 1.105 96 F CA 1.639 59.336 58.000 -0.506 0.000 1.239 96 F CB -0.349 38.432 39.000 -0.365 0.000 0.991 96 F HN 0.352 8.652 8.300 -0.000 0.000 0.474 97 D N 0.588 120.950 120.400 -0.063 0.000 2.123 97 D HA -0.201 4.430 4.640 -0.015 0.000 0.196 97 D C 2.079 178.620 176.300 0.402 0.000 0.992 97 D CA 1.474 55.643 54.000 0.281 0.000 0.833 97 D CB -0.182 40.954 40.800 0.560 0.000 0.954 97 D HN 0.247 8.617 8.370 -0.000 0.000 0.455 98 I N 0.446 121.145 120.570 0.215 0.000 2.179 98 I HA -0.261 3.900 4.170 -0.015 0.000 0.242 98 I C 2.499 178.802 176.117 0.310 0.000 1.088 98 I CA 1.137 62.590 61.300 0.256 0.000 1.357 98 I CB -0.364 37.607 38.000 -0.048 0.000 1.051 98 I HN 0.081 8.291 8.210 -0.000 0.000 0.409 99 A N 0.694 123.567 122.820 0.089 0.000 1.933 99 A HA -0.179 4.132 4.320 -0.015 0.000 0.218 99 A C 2.207 179.926 177.584 0.225 0.000 1.175 99 A CA 1.412 53.516 52.037 0.112 0.000 0.628 99 A CB -1.058 17.961 19.000 0.032 0.000 0.814 99 A HN 0.410 8.560 8.150 -0.000 0.000 0.444 100 F N -2.300 117.791 119.950 0.235 0.000 2.146 100 F HA -0.221 4.298 4.527 -0.015 0.000 0.298 100 F C 2.254 178.009 175.800 -0.074 0.000 1.096 100 F CA 0.601 58.636 58.000 0.057 0.000 1.275 100 F CB -0.422 38.575 39.000 -0.005 0.000 1.008 100 F HN 0.316 8.616 8.300 -0.000 0.000 0.480 101 W N 0.891 122.322 121.300 0.218 0.000 2.363 101 W HA -0.187 4.464 4.660 -0.016 0.000 0.296 101 W C 2.187 178.655 176.519 -0.084 0.000 1.212 101 W CA 1.351 58.693 57.345 -0.004 0.000 1.260 101 W CB -0.659 28.771 29.460 -0.051 0.000 1.131 101 W HN -0.022 8.158 8.180 -0.000 0.000 0.530 102 D N 0.465 121.009 120.400 0.240 0.000 2.116 102 D HA -0.211 4.420 4.640 -0.015 0.000 0.193 102 D C 1.905 178.234 176.300 0.048 0.000 0.998 102 D CA 1.731 55.801 54.000 0.117 0.000 0.836 102 D CB -0.419 40.480 40.800 0.165 0.000 0.951 102 D HN 0.100 8.470 8.370 -0.000 0.000 0.449 103 I N 0.270 120.884 120.570 0.074 0.000 2.163 103 I HA -0.284 3.877 4.170 -0.015 0.000 0.243 103 I C 2.495 178.569 176.117 -0.073 0.000 1.085 103 I CA 1.208 62.527 61.300 0.032 0.000 1.347 103 I CB -0.201 37.861 38.000 0.103 0.000 1.044 103 I HN 0.021 8.231 8.210 -0.000 0.000 0.408 104 K N 0.607 120.843 120.400 -0.273 0.000 2.032 104 K HA -0.161 4.150 4.320 -0.015 0.000 0.209 104 K C 2.187 178.690 176.600 -0.162 0.000 1.048 104 K CA 1.643 57.615 56.287 -0.523 0.000 0.927 104 K CB -0.607 31.386 32.500 -0.845 0.000 0.712 104 K HN 0.486 8.736 8.250 -0.000 0.000 0.441 105 G N 1.889 110.625 108.800 -0.106 0.000 2.421 105 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.216 105 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.216 105 G C 1.347 176.225 174.900 -0.037 0.000 1.171 105 G CA 0.726 45.783 45.100 -0.072 0.000 0.775 105 G HN 0.224 8.514 8.290 -0.000 0.000 0.543 106 K N 0.622 121.004 120.400 -0.030 0.000 2.063 106 K HA -0.033 4.278 4.320 -0.015 0.000 0.208 106 K C 2.936 179.544 176.600 0.015 0.000 1.048 106 K CA 1.094 57.369 56.287 -0.019 0.000 0.928 106 K CB -0.279 32.193 32.500 -0.047 0.000 0.713 106 K HN 0.270 8.520 8.250 -0.000 0.000 0.442 107 A N 0.805 123.660 122.820 0.057 0.000 1.972 107 A HA -0.129 4.182 4.320 -0.015 0.000 0.219 107 A C 1.724 179.370 177.584 0.102 0.000 1.169 107 A CA 1.354 53.462 52.037 0.118 0.000 0.635 107 A CB -0.132 19.036 19.000 0.280 0.000 0.810 107 A HN 0.118 8.268 8.150 -0.000 0.000 0.446 108 L N -0.390 120.889 121.223 0.094 0.000 2.640 108 L HA 0.216 4.547 4.340 -0.015 0.000 0.230 108 L C 0.834 177.717 176.870 0.021 0.000 1.123 108 L CA 0.434 55.316 54.840 0.069 0.000 0.900 108 L CB -1.303 40.811 42.059 0.091 0.000 1.146 108 L HN 0.669 8.899 8.230 -0.000 0.000 0.484 109 N N 0.643 119.349 118.700 0.010 0.000 2.740 109 N HA -0.219 4.512 4.740 -0.015 0.000 0.248 109 N C -0.774 174.720 175.510 -0.027 0.000 1.062 109 N CA 0.173 53.219 53.050 -0.006 0.000 0.704 109 N CB -0.645 37.842 38.487 -0.000 0.000 0.968 109 N HN 0.248 8.628 8.380 -0.000 0.000 0.547 110 L N 0.117 121.311 121.223 -0.048 0.000 2.401 110 L HA 0.610 4.941 4.340 -0.015 0.000 0.266 110 L C -2.265 174.523 176.870 -0.137 0.000 0.991 110 L CA -1.895 52.885 54.840 -0.099 0.000 0.818 110 L CB 2.158 44.151 42.059 -0.109 0.000 1.321 110 L HN -0.079 8.151 8.230 -0.000 0.000 0.413 111 P HA 0.042 4.462 4.420 -0.000 0.000 0.269 111 P C 0.888 177.993 177.300 -0.324 0.000 1.215 111 P CA -0.293 62.696 63.100 -0.186 0.000 0.780 111 P CB 0.863 32.496 31.700 -0.111 0.000 0.898 112 V N 2.243 121.905 119.914 -0.420 0.000 2.380 112 V HA -0.294 3.817 4.120 -0.015 0.000 0.251 112 V C 2.168 178.078 176.094 -0.306 0.000 1.063 112 V CA 2.353 64.369 62.300 -0.473 0.000 1.055 112 V CB -1.790 29.517 31.823 -0.860 0.000 0.657 112 V HN 0.651 8.841 8.190 -0.000 0.000 0.455 113 Y N 0.956 121.277 120.300 0.035 0.000 2.241 113 Y HA -0.185 4.355 4.550 -0.015 0.000 0.286 113 Y C 2.183 178.049 175.900 -0.057 0.000 1.166 113 Y CA 1.309 59.394 58.100 -0.025 0.000 1.203 113 Y CB -0.773 37.685 38.460 -0.003 0.000 0.977 113 Y HN 0.083 8.363 8.280 -0.000 0.000 0.529 114 K N 0.983 121.023 120.400 -0.600 0.000 2.211 114 K HA -0.003 4.308 4.320 -0.015 0.000 0.203 114 K C 1.869 178.394 176.600 -0.126 0.000 1.050 114 K CA 1.213 57.293 56.287 -0.345 0.000 0.945 114 K CB -0.317 31.938 32.500 -0.409 0.000 0.732 114 K HN 0.499 8.749 8.250 -0.000 0.000 0.451 115 L N 0.402 121.565 121.223 -0.100 0.000 2.509 115 L HA 0.055 4.386 4.340 -0.015 0.000 0.222 115 L C 1.779 178.686 176.870 0.062 0.000 1.123 115 L CA 0.213 55.087 54.840 0.057 0.000 0.856 115 L CB -0.061 42.113 42.059 0.191 0.000 0.985 115 L HN 0.020 8.250 8.230 -0.000 0.000 0.456 116 L N -0.647 120.516 121.223 -0.100 0.000 2.607 116 L HA 0.275 4.606 4.340 -0.015 0.000 0.228 116 L C 1.239 178.084 176.870 -0.042 0.000 1.123 116 L CA 0.548 55.291 54.840 -0.162 0.000 0.890 116 L CB 0.186 42.075 42.059 -0.283 0.000 1.103 116 L HN 0.404 8.634 8.230 -0.000 0.000 0.468 117 G N -0.775 108.027 108.800 0.002 0.000 2.205 117 G HA2 0.028 3.979 3.960 -0.015 0.000 0.180 117 G HA3 0.028 3.979 3.960 -0.015 0.000 0.180 117 G C 0.545 175.473 174.900 0.046 0.000 1.004 117 G CA -0.276 44.838 45.100 0.024 0.000 0.670 117 G HN 0.712 9.002 8.290 -0.000 0.000 0.496 118 G N -0.562 108.293 108.800 0.092 0.000 2.757 118 G HA2 0.052 4.003 3.960 -0.015 0.000 0.638 118 G HA3 0.052 4.003 3.960 -0.015 0.000 0.638 118 G C -0.201 174.792 174.900 0.155 0.000 1.344 118 G CA -0.008 45.199 45.100 0.178 0.000 0.855 118 G HN 0.813 9.103 8.290 -0.000 0.000 0.537 119 K N 0.337 120.802 120.400 0.107 0.000 2.237 119 K HA 0.259 4.570 4.320 -0.015 0.000 0.270 119 K C 0.890 177.459 176.600 -0.052 0.000 1.015 119 K CA -0.302 55.938 56.287 -0.078 0.000 0.949 119 K CB 0.524 32.927 32.500 -0.162 0.000 0.976 119 K HN 0.496 8.746 8.250 -0.000 0.000 0.472 120 N N 2.199 120.848 118.700 -0.084 0.000 2.184 120 N HA 0.017 4.749 4.740 -0.015 0.000 0.206 120 N C -0.405 175.075 175.510 -0.050 0.000 1.151 120 N CA 0.158 53.178 53.050 -0.050 0.000 0.878 120 N CB 0.703 39.167 38.487 -0.038 0.000 1.014 120 N HN 0.566 8.946 8.380 -0.000 0.000 0.512 121 R N -0.737 119.708 120.500 -0.093 0.000 2.712 121 R HA 0.311 4.642 4.340 -0.015 0.000 0.272 121 R C -0.452 175.772 176.300 -0.127 0.000 1.032 121 R CA -0.609 55.443 56.100 -0.080 0.000 0.874 121 R CB 0.757 31.024 30.300 -0.055 0.000 1.256 121 R HN -0.317 7.953 8.270 -0.000 0.000 0.468 122 E N 0.587 120.730 120.200 -0.097 0.000 2.318 122 E HA 0.029 4.370 4.350 -0.015 0.000 0.193 122 E C -0.273 176.243 176.600 -0.139 0.000 0.998 122 E CA 1.285 57.616 56.400 -0.114 0.000 0.859 122 E CB 0.092 29.750 29.700 -0.071 0.000 0.812 122 E HN 0.665 9.025 8.360 -0.000 0.000 0.492 123 D N -1.218 119.110 120.400 -0.120 0.000 2.692 123 D HA 0.270 4.901 4.640 -0.015 0.000 0.303 123 D C -0.771 175.472 176.300 -0.094 0.000 1.278 123 D CA -0.692 53.237 54.000 -0.118 0.000 0.852 123 D CB 0.762 41.519 40.800 -0.072 0.000 1.375 123 D HN -0.151 8.219 8.370 -0.000 0.000 0.453 124 L N 0.111 121.299 121.223 -0.058 0.000 2.356 124 L HA 0.513 4.844 4.340 -0.015 0.000 0.277 124 L C 0.573 177.567 176.870 0.207 0.000 0.996 124 L CA -1.048 53.815 54.840 0.038 0.000 0.822 124 L CB 1.992 43.971 42.059 -0.134 0.000 1.256 124 L HN 0.344 8.574 8.230 -0.000 0.000 0.413 125 R N 1.949 122.648 120.500 0.332 0.000 2.585 125 R HA 0.354 4.685 4.340 -0.015 0.000 0.275 125 R C -1.103 175.404 176.300 0.345 0.000 1.018 125 R CA -0.064 56.195 56.100 0.264 0.000 1.072 125 R CB 0.686 31.126 30.300 0.232 0.000 0.953 125 R HN 0.439 8.709 8.270 -0.000 0.000 0.419 126 V N 5.673 125.744 119.914 0.262 0.000 2.680 126 V HA 0.333 4.444 4.120 -0.015 0.000 0.309 126 V C -0.954 175.356 176.094 0.359 0.000 1.052 126 V CA -0.872 61.631 62.300 0.338 0.000 0.908 126 V CB 1.462 33.459 31.823 0.291 0.000 1.001 126 V HN 0.760 8.950 8.190 -0.000 0.000 0.431 127 Y N 1.830 122.265 120.300 0.226 0.000 2.457 127 Y HA 0.889 5.431 4.550 -0.014 0.000 0.333 127 Y C 0.118 175.936 175.900 -0.136 0.000 1.119 127 Y CA -1.394 56.728 58.100 0.037 0.000 1.143 127 Y CB 1.379 39.793 38.460 -0.077 0.000 1.230 127 Y HN 0.709 8.989 8.280 -0.000 0.000 0.469 128 A N 2.793 125.378 122.820 -0.393 0.000 2.350 128 A HA 0.450 4.761 4.320 -0.015 0.000 0.293 128 A C -0.021 177.355 177.584 -0.347 0.000 1.231 128 A CA -0.361 51.072 52.037 -1.007 0.000 0.883 128 A CB -0.286 17.449 19.000 -2.108 0.000 1.133 128 A HN 0.745 8.895 8.150 -0.000 0.000 0.533 129 S N 2.267 117.927 115.700 -0.066 0.000 2.508 129 S HA 0.459 4.920 4.470 -0.015 0.000 0.284 129 S C -0.242 174.440 174.600 0.136 0.000 1.192 129 S CA -0.236 58.004 58.200 0.067 0.000 1.070 129 S CB 0.184 63.280 63.200 -0.172 0.000 1.004 129 S HN 0.770 9.080 8.310 -0.000 0.000 0.493 130 Q N 2.730 122.597 119.800 0.111 0.000 2.451 130 Q HA -0.130 4.201 4.340 -0.015 0.000 0.292 130 Q C 0.628 176.699 176.000 0.118 0.000 1.390 130 Q CA 0.395 56.282 55.803 0.140 0.000 0.753 130 Q CB -2.425 26.509 28.738 0.328 0.000 1.128 130 Q HN 0.833 9.103 8.270 -0.000 0.000 0.402 131 L N 0.161 121.411 121.223 0.044 0.000 2.187 131 L HA -0.237 4.094 4.340 -0.015 0.000 0.213 131 L C 2.641 179.425 176.870 -0.143 0.000 1.100 131 L CA 2.053 56.899 54.840 0.010 0.000 0.765 131 L CB -0.523 41.512 42.059 -0.041 0.000 0.904 131 L HN 0.478 8.708 8.230 -0.000 0.000 0.437 132 Q N 0.122 119.778 119.800 -0.241 0.000 2.364 132 Q HA -0.199 4.132 4.340 -0.015 0.000 0.209 132 Q C 1.299 177.004 176.000 -0.491 0.000 0.977 132 Q CA 1.700 57.219 55.803 -0.474 0.000 0.885 132 Q CB -0.422 28.154 28.738 -0.271 0.000 0.941 132 Q HN 0.439 8.709 8.270 -0.000 0.000 0.464 133 F N 0.964 120.883 119.950 -0.052 0.000 2.641 133 F HA 0.498 5.017 4.527 -0.013 0.000 0.302 133 F C 1.093 176.860 175.800 -0.054 0.000 1.098 133 F CA 0.103 58.072 58.000 -0.053 0.000 1.318 133 F CB 0.285 39.301 39.000 0.026 0.000 1.035 133 F HN 0.193 8.493 8.300 -0.000 0.000 0.551 134 G N 0.032 108.870 108.800 0.063 0.000 2.879 134 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.686 134 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.686 134 G C -0.803 174.185 174.900 0.147 0.000 1.115 134 G CA -1.072 44.061 45.100 0.056 0.000 0.770 134 G HN 0.323 8.613 8.290 -0.000 0.000 0.601 135 W N 3.891 125.167 121.300 -0.040 0.000 2.360 135 W HA 0.538 5.190 4.660 -0.012 0.000 0.344 135 W C 0.628 177.142 176.519 -0.009 0.000 1.025 135 W CA 0.600 57.926 57.345 -0.031 0.000 1.480 135 W CB 0.370 29.798 29.460 -0.054 0.000 1.350 135 W HN 1.591 9.771 8.180 -0.000 0.000 0.382 136 G N 4.050 112.561 108.800 -0.481 0.000 2.345 136 G HA2 -0.016 3.936 3.960 -0.015 0.000 0.285 136 G HA3 -0.016 3.936 3.960 -0.015 0.000 0.285 136 G C -0.865 173.847 174.900 -0.313 0.000 1.297 136 G CA -0.667 44.193 45.100 -0.399 0.000 0.875 136 G HN 0.225 8.515 8.290 -0.000 0.000 0.506 137 K N -0.028 120.251 120.400 -0.203 0.000 3.010 137 K HA 0.356 4.667 4.320 -0.015 0.000 0.211 137 K C -0.383 176.165 176.600 -0.087 0.000 1.146 137 K CA -0.279 55.921 56.287 -0.145 0.000 1.070 137 K CB 0.347 32.775 32.500 -0.120 0.000 0.908 137 K HN 0.648 8.898 8.250 -0.000 0.000 0.463 138 E N 1.330 121.485 120.200 -0.074 0.000 2.165 138 E HA 0.265 4.606 4.350 -0.015 0.000 0.266 138 E C -1.116 175.462 176.600 -0.037 0.000 0.889 138 E CA -1.033 55.338 56.400 -0.048 0.000 0.756 138 E CB 1.884 31.564 29.700 -0.034 0.000 1.131 138 E HN 0.134 8.494 8.360 -0.000 0.000 0.411 139 R N 2.559 123.036 120.500 -0.039 0.000 2.296 139 R HA 0.119 4.451 4.340 -0.015 0.000 0.323 139 R C -0.973 175.323 176.300 -0.006 0.000 1.067 139 R CA -0.111 55.971 56.100 -0.029 0.000 0.946 139 R CB 0.347 30.593 30.300 -0.090 0.000 0.991 139 R HN 0.382 8.652 8.270 -0.000 0.000 0.448 140 K N 2.548 122.973 120.400 0.042 0.000 2.616 140 K HA 0.124 4.435 4.320 -0.015 0.000 0.255 140 K C -1.335 175.296 176.600 0.051 0.000 0.995 140 K CA -0.462 55.845 56.287 0.034 0.000 0.860 140 K CB 1.430 33.931 32.500 0.002 0.000 1.264 140 K HN 0.537 8.787 8.250 -0.000 0.000 0.451 141 S N 3.809 119.544 115.700 0.058 0.000 2.549 141 S HA 0.415 4.876 4.470 -0.015 0.000 0.279 141 S C -0.148 174.331 174.600 -0.203 0.000 1.321 141 S CA -0.468 57.675 58.200 -0.095 0.000 1.054 141 S CB 0.528 63.613 63.200 -0.191 0.000 0.899 141 S HN 0.408 8.718 8.310 -0.000 0.000 0.497 142 K N 2.112 122.310 120.400 -0.337 0.000 2.130 142 K HA 0.509 4.821 4.320 -0.015 0.000 0.268 142 K C 1.021 177.614 176.600 -0.012 0.000 0.983 142 K CA -0.400 55.728 56.287 -0.264 0.000 0.893 142 K CB 1.523 33.650 32.500 -0.621 0.000 1.066 142 K HN 0.842 9.092 8.250 -0.000 0.000 0.450 143 G N 1.888 110.755 108.800 0.111 0.000 2.759 143 G HA2 0.025 3.976 3.960 -0.015 0.000 0.197 143 G HA3 0.025 3.976 3.960 -0.015 0.000 0.197 143 G C 0.092 175.128 174.900 0.227 0.000 1.067 143 G CA -0.148 45.074 45.100 0.203 0.000 0.742 143 G HN 0.368 8.658 8.290 -0.000 0.000 0.651 144 R N 1.217 121.824 120.500 0.179 0.000 2.410 144 R HA 0.292 4.623 4.340 -0.015 0.000 0.288 144 R C 1.414 177.843 176.300 0.216 0.000 1.051 144 R CA -0.150 56.034 56.100 0.141 0.000 1.021 144 R CB 1.333 31.683 30.300 0.083 0.000 1.032 144 R HN 0.330 8.600 8.270 -0.000 0.000 0.481 145 K N 1.655 122.120 120.400 0.110 0.000 2.113 145 K HA -0.236 4.075 4.320 -0.015 0.000 0.208 145 K C 0.709 177.384 176.600 0.124 0.000 1.047 145 K CA 1.733 58.064 56.287 0.073 0.000 0.928 145 K CB 0.014 32.499 32.500 -0.025 0.000 0.716 145 K HN 0.456 8.706 8.250 -0.000 0.000 0.446 146 E N 1.362 121.615 120.200 0.087 0.000 2.153 146 E HA -0.147 4.194 4.350 -0.015 0.000 0.194 146 E C 1.838 178.482 176.600 0.074 0.000 0.988 146 E CA 1.589 58.027 56.400 0.063 0.000 0.811 146 E CB -0.017 29.707 29.700 0.040 0.000 0.746 146 E HN 0.498 8.858 8.360 -0.000 0.000 0.466 147 E N -0.531 119.724 120.200 0.091 0.000 2.106 147 E HA -0.170 4.171 4.350 -0.015 0.000 0.192 147 E C 1.686 178.272 176.600 -0.023 0.000 0.984 147 E CA 0.818 57.230 56.400 0.020 0.000 0.806 147 E CB -0.172 29.513 29.700 -0.025 0.000 0.750 147 E HN 0.395 8.755 8.360 -0.000 0.000 0.458 148 Y N 0.879 121.164 120.300 -0.025 0.000 2.145 148 Y HA -0.236 4.306 4.550 -0.014 0.000 0.286 148 Y C 2.544 178.420 175.900 -0.041 0.000 1.145 148 Y CA 1.098 59.176 58.100 -0.037 0.000 1.148 148 Y CB -0.345 38.087 38.460 -0.048 0.000 0.981 148 Y HN 0.054 8.334 8.280 -0.000 0.000 0.507 149 A N 0.201 123.089 122.820 0.115 0.000 1.908 149 A HA -0.252 4.059 4.320 -0.015 0.000 0.218 149 A C 2.005 179.599 177.584 0.017 0.000 1.181 149 A CA 2.048 54.108 52.037 0.038 0.000 0.627 149 A CB -0.697 18.317 19.000 0.022 0.000 0.818 149 A HN 0.540 8.690 8.150 -0.000 0.000 0.445 150 E N -0.486 119.726 120.200 0.019 0.000 2.051 150 E HA -0.189 4.152 4.350 -0.015 0.000 0.192 150 E C 2.083 178.693 176.600 0.016 0.000 0.991 150 E CA 1.236 57.645 56.400 0.015 0.000 0.799 150 E CB -0.125 29.583 29.700 0.013 0.000 0.748 150 E HN 0.509 8.869 8.360 -0.000 0.000 0.449 151 E N 0.507 120.708 120.200 0.002 0.000 2.077 151 E HA -0.191 4.150 4.350 -0.015 0.000 0.193 151 E C 2.055 178.652 176.600 -0.005 0.000 0.989 151 E CA 1.125 57.539 56.400 0.023 0.000 0.800 151 E CB -0.439 29.250 29.700 -0.019 0.000 0.746 151 E HN 0.271 8.631 8.360 -0.000 0.000 0.452 152 A N 1.196 123.992 122.820 -0.041 0.000 1.908 152 A HA -0.161 4.150 4.320 -0.015 0.000 0.218 152 A C 2.425 179.965 177.584 -0.073 0.000 1.181 152 A CA 1.330 53.314 52.037 -0.088 0.000 0.627 152 A CB -0.790 18.171 19.000 -0.064 0.000 0.818 152 A HN 0.209 8.359 8.150 -0.000 0.000 0.445 153 L N -0.874 120.334 121.223 -0.026 0.000 2.093 153 L HA -0.195 4.137 4.340 -0.015 0.000 0.208 153 L C 2.568 179.449 176.870 0.019 0.000 1.085 153 L CA 1.550 56.386 54.840 -0.007 0.000 0.755 153 L CB -0.378 41.684 42.059 0.005 0.000 0.904 153 L HN 0.375 8.605 8.230 -0.000 0.000 0.435 154 K N 0.016 120.445 120.400 0.049 0.000 2.063 154 K HA -0.185 4.126 4.320 -0.015 0.000 0.208 154 K C 2.239 178.923 176.600 0.140 0.000 1.048 154 K CA 1.488 57.852 56.287 0.128 0.000 0.928 154 K CB -0.295 32.331 32.500 0.211 0.000 0.713 154 K HN 0.300 8.550 8.250 -0.000 0.000 0.442 155 A N 1.020 123.797 122.820 -0.071 0.000 1.877 155 A HA -0.123 4.188 4.320 -0.015 0.000 0.216 155 A C 2.391 179.993 177.584 0.031 0.000 1.186 155 A CA 1.428 53.285 52.037 -0.300 0.000 0.620 155 A CB -0.710 17.769 19.000 -0.869 0.000 0.822 155 A HN 0.075 8.225 8.150 -0.000 0.000 0.443 156 V N 0.009 119.913 119.914 -0.016 0.000 2.332 156 V HA -0.281 3.831 4.120 -0.015 0.000 0.248 156 V C 3.032 179.150 176.094 0.040 0.000 1.055 156 V CA 1.934 64.243 62.300 0.015 0.000 1.038 156 V CB -1.228 30.585 31.823 -0.016 0.000 0.651 156 V HN 0.621 8.811 8.190 -0.000 0.000 0.450 157 A N -0.431 122.422 122.820 0.055 0.000 2.024 157 A HA -0.235 4.076 4.320 -0.015 0.000 0.220 157 A C 2.042 179.671 177.584 0.075 0.000 1.164 157 A CA 1.761 53.834 52.037 0.060 0.000 0.643 157 A CB -0.416 18.626 19.000 0.069 0.000 0.806 157 A HN 0.669 8.819 8.150 -0.000 0.000 0.451 158 E N -1.649 118.631 120.200 0.135 0.000 2.489 158 E HA 0.272 4.613 4.350 -0.015 0.000 0.193 158 E C 1.033 177.608 176.600 -0.042 0.000 1.057 158 E CA 0.255 56.728 56.400 0.121 0.000 0.866 158 E CB -0.061 29.836 29.700 0.329 0.000 0.916 158 E HN 0.741 9.101 8.360 -0.000 0.000 0.500 159 G N 0.916 109.695 108.800 -0.036 0.000 2.141 159 G HA2 -0.278 3.674 3.960 -0.015 0.000 0.231 159 G HA3 -0.278 3.674 3.960 -0.015 0.000 0.231 159 G C -0.267 174.525 174.900 -0.181 0.000 0.984 159 G CA -0.416 44.614 45.100 -0.116 0.000 0.660 159 G HN 0.224 8.514 8.290 -0.000 0.000 0.525 160 Y N 1.440 121.693 120.300 -0.080 0.000 2.425 160 Y HA 0.376 4.917 4.550 -0.015 0.000 0.331 160 Y C 1.375 177.208 175.900 -0.112 0.000 1.157 160 Y CA 0.359 58.393 58.100 -0.109 0.000 1.372 160 Y CB 0.889 39.235 38.460 -0.190 0.000 1.253 160 Y HN 0.263 8.543 8.280 -0.000 0.000 0.536 161 D N 0.482 120.905 120.400 0.038 0.000 2.462 161 D HA 0.406 5.037 4.640 -0.015 0.000 0.221 161 D C -0.481 175.760 176.300 -0.100 0.000 1.173 161 D CA -0.130 53.847 54.000 -0.038 0.000 0.831 161 D CB 0.046 40.813 40.800 -0.055 0.000 1.001 161 D HN 0.426 8.796 8.370 -0.000 0.000 0.499 162 A N -0.063 122.715 122.820 -0.070 0.000 2.547 162 A HA 0.657 4.969 4.320 -0.015 0.000 0.297 162 A C -0.974 176.523 177.584 -0.146 0.000 1.056 162 A CA -0.488 51.443 52.037 -0.177 0.000 0.688 162 A CB 1.773 20.640 19.000 -0.222 0.000 1.282 162 A HN 0.483 8.633 8.150 -0.000 0.000 0.400 163 V N -1.044 118.731 119.914 -0.232 0.000 3.040 163 V HA 0.892 5.003 4.120 -0.015 0.000 0.312 163 V C -0.662 175.268 176.094 -0.274 0.000 1.115 163 V CA -0.898 61.263 62.300 -0.233 0.000 0.998 163 V CB 1.839 33.518 31.823 -0.241 0.000 1.042 163 V HN 1.089 9.279 8.190 -0.000 0.000 0.433 164 K N 1.586 121.876 120.400 -0.184 0.000 2.378 164 K HA 0.850 5.161 4.320 -0.015 0.000 0.252 164 K C -2.017 174.536 176.600 -0.079 0.000 0.931 164 K CA -0.712 55.452 56.287 -0.206 0.000 0.794 164 K CB 2.369 34.722 32.500 -0.244 0.000 1.181 164 K HN 0.922 9.172 8.250 -0.000 0.000 0.425 165 V N 2.754 122.633 119.914 -0.060 0.000 2.888 165 V HA 0.330 4.441 4.120 -0.015 0.000 0.309 165 V C -1.861 174.257 176.094 0.040 0.000 1.114 165 V CA -0.714 61.596 62.300 0.017 0.000 0.940 165 V CB 2.024 33.893 31.823 0.077 0.000 1.021 165 V HN 0.940 9.130 8.190 -0.000 0.000 0.426 166 D N 4.148 124.589 120.400 0.069 0.000 2.359 166 D HA 0.307 4.938 4.640 -0.015 0.000 0.230 166 D C 0.661 177.049 176.300 0.146 0.000 1.118 166 D CA 0.151 54.210 54.000 0.099 0.000 0.844 166 D CB 1.779 42.673 40.800 0.156 0.000 1.059 166 D HN 0.537 8.907 8.370 -0.000 0.000 0.493 167 V N 2.055 122.012 119.914 0.072 0.000 3.621 167 V HA 0.191 4.302 4.120 -0.015 0.000 0.285 167 V C 1.583 177.604 176.094 -0.121 0.000 1.346 167 V CA 0.161 62.433 62.300 -0.048 0.000 1.104 167 V CB -0.359 31.419 31.823 -0.075 0.000 0.913 167 V HN 0.470 8.660 8.190 -0.000 0.000 0.432 168 L N 0.344 121.501 121.223 -0.111 0.000 2.515 168 L HA 0.416 4.747 4.340 -0.015 0.000 0.223 168 L C 2.764 179.590 176.870 -0.074 0.000 1.079 168 L CA 0.918 55.651 54.840 -0.179 0.000 0.857 168 L CB -0.351 41.537 42.059 -0.285 0.000 1.050 168 L HN 0.323 8.553 8.230 -0.000 0.000 0.476 169 A N -0.558 122.260 122.820 -0.003 0.000 1.969 169 A HA -0.107 4.204 4.320 -0.015 0.000 0.218 169 A C 0.401 177.797 177.584 -0.314 0.000 1.169 169 A CA 1.053 53.013 52.037 -0.130 0.000 0.635 169 A CB -0.566 18.374 19.000 -0.100 0.000 0.810 169 A HN 0.391 8.541 8.150 -0.000 0.000 0.445 170 H N -0.257 118.843 119.070 0.050 0.000 2.492 170 H HA 0.428 4.975 4.556 -0.015 0.000 0.345 170 H C -0.310 175.040 175.328 0.038 0.000 1.136 170 H CA -0.601 55.485 56.048 0.064 0.000 1.202 170 H CB 1.066 30.898 29.762 0.116 0.000 1.524 170 H HN 0.467 8.747 8.280 -0.000 0.000 0.506 171 D N 0.818 121.304 120.400 0.143 0.000 2.380 171 D HA 0.010 4.641 4.640 -0.015 0.000 0.254 171 D C 0.873 177.236 176.300 0.106 0.000 1.288 171 D CA -0.537 53.515 54.000 0.088 0.000 1.008 171 D CB 0.789 41.626 40.800 0.062 0.000 1.099 171 D HN 0.467 8.837 8.370 -0.000 0.000 0.537 172 R N -1.004 119.537 120.500 0.068 0.000 2.280 172 R HA 0.019 4.350 4.340 -0.015 0.000 0.207 172 R C 0.828 177.173 176.300 0.076 0.000 1.043 172 R CA 0.613 56.754 56.100 0.068 0.000 1.006 172 R CB -0.487 29.838 30.300 0.041 0.000 0.885 172 R HN 0.531 8.801 8.270 -0.000 0.000 0.467 173 N N -0.401 118.344 118.700 0.075 0.000 2.322 173 N HA 0.045 4.776 4.740 -0.015 0.000 0.194 173 N C 0.535 176.094 175.510 0.081 0.000 1.126 173 N CA 0.305 53.396 53.050 0.068 0.000 0.845 173 N CB 1.015 39.536 38.487 0.057 0.000 0.976 173 N HN 0.220 8.600 8.380 -0.000 0.000 0.475 174 G N 0.728 109.597 108.800 0.114 0.000 2.143 174 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.248 174 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.248 174 G C -0.027 174.995 174.900 0.204 0.000 0.991 174 G CA 0.374 45.538 45.100 0.107 0.000 0.689 174 G HN 0.363 8.653 8.290 -0.000 0.000 0.522 175 S N -0.946 114.884 115.700 0.217 0.000 2.549 175 S HA 0.657 5.118 4.470 -0.015 0.000 0.297 175 S C 1.607 176.317 174.600 0.183 0.000 1.115 175 S CA -0.586 57.738 58.200 0.207 0.000 1.059 175 S CB 0.860 64.127 63.200 0.112 0.000 1.046 175 S HN 0.291 8.601 8.310 -0.000 0.000 0.506 176 R N 1.484 122.057 120.500 0.123 0.000 2.275 176 R HA 0.118 4.449 4.340 -0.015 0.000 0.199 176 R C -0.252 176.043 176.300 -0.008 0.000 0.989 176 R CA 0.170 56.254 56.100 -0.026 0.000 1.016 176 R CB -0.173 30.090 30.300 -0.061 0.000 0.918 176 R HN 0.585 8.855 8.270 -0.000 0.000 0.473 177 E N 0.883 121.101 120.200 0.030 0.000 2.417 177 E HA 0.054 4.395 4.350 -0.015 0.000 0.261 177 E C 1.026 177.639 176.600 0.021 0.000 1.000 177 E CA 0.585 56.999 56.400 0.024 0.000 0.919 177 E CB 0.363 30.081 29.700 0.031 0.000 0.955 177 E HN 0.453 8.813 8.360 -0.000 0.000 0.455 178 G N 2.158 110.970 108.800 0.019 0.000 2.155 178 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.257 178 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.257 178 G C 0.273 175.199 174.900 0.044 0.000 0.983 178 G CA 0.342 45.457 45.100 0.025 0.000 0.676 178 G HN 0.382 8.672 8.290 -0.000 0.000 0.528 179 V N 0.562 120.494 119.914 0.030 0.000 2.406 179 V HA 0.682 4.793 4.120 -0.015 0.000 0.272 179 V C -0.112 176.030 176.094 0.081 0.000 1.043 179 V CA -0.303 62.009 62.300 0.020 0.000 0.915 179 V CB 1.237 33.026 31.823 -0.058 0.000 0.988 179 V HN 0.375 8.565 8.190 -0.000 0.000 0.466 180 F N 5.499 125.409 119.950 -0.066 0.000 2.561 180 F HA 0.610 5.128 4.527 -0.015 0.000 0.313 180 F C -0.108 175.669 175.800 -0.038 0.000 1.126 180 F CA -0.681 57.287 58.000 -0.054 0.000 0.918 180 F CB 1.800 40.780 39.000 -0.033 0.000 1.199 180 F HN 0.298 8.598 8.300 -0.000 0.000 0.444 181 L N 4.501 125.319 121.223 -0.676 0.000 3.298 181 L HA 0.325 4.657 4.340 -0.015 0.000 0.296 181 L C -0.466 176.162 176.870 -0.403 0.000 1.237 181 L CA -0.012 54.606 54.840 -0.370 0.000 1.038 181 L CB 0.593 42.525 42.059 -0.211 0.000 1.423 181 L HN 0.529 8.759 8.230 -0.000 0.000 0.605 182 E N 0.546 120.309 120.200 -0.729 0.000 2.231 182 E HA 0.595 4.936 4.350 -0.015 0.000 0.277 182 E C 0.451 177.005 176.600 -0.076 0.000 0.999 182 E CA 0.045 56.230 56.400 -0.359 0.000 0.827 182 E CB 1.591 31.068 29.700 -0.372 0.000 1.101 182 E HN 0.149 8.509 8.360 -0.000 0.000 0.393 183 G N 2.863 111.662 108.800 -0.002 0.000 2.828 183 G HA2 -0.186 3.765 3.960 -0.015 0.000 0.463 183 G HA3 -0.186 3.765 3.960 -0.015 0.000 0.463 183 G C -2.671 172.259 174.900 0.050 0.000 1.394 183 G CA -1.332 43.800 45.100 0.055 0.000 0.862 183 G HN 0.411 8.701 8.290 -0.000 0.000 0.540 184 P HA 0.325 4.745 4.420 -0.000 0.000 0.262 184 P C 0.270 177.606 177.300 0.060 0.000 1.182 184 P CA 0.110 63.244 63.100 0.056 0.000 0.761 184 P CB 0.325 32.056 31.700 0.053 0.000 0.795 185 L N 5.903 127.159 121.223 0.055 0.000 2.343 185 L HA 0.458 4.789 4.340 -0.015 0.000 0.275 185 L C -1.888 175.012 176.870 0.050 0.000 1.056 185 L CA -2.379 52.490 54.840 0.048 0.000 0.804 185 L CB 0.722 42.803 42.059 0.035 0.000 1.203 185 L HN 0.206 8.436 8.230 -0.000 0.000 0.440 186 P HA 0.043 4.463 4.420 -0.000 0.000 0.269 186 P C 0.504 177.828 177.300 0.041 0.000 1.215 186 P CA -0.340 62.785 63.100 0.040 0.000 0.780 186 P CB 0.729 32.451 31.700 0.036 0.000 0.898 187 S N 0.599 116.323 115.700 0.040 0.000 2.400 187 S HA -0.238 4.223 4.470 -0.015 0.000 0.232 187 S C 1.712 176.337 174.600 0.042 0.000 1.025 187 S CA 1.407 59.634 58.200 0.044 0.000 0.993 187 S CB -0.731 62.491 63.200 0.037 0.000 0.808 187 S HN 0.437 8.747 8.310 -0.000 0.000 0.478 188 E N 1.492 121.711 120.200 0.031 0.000 2.106 188 E HA -0.024 4.317 4.350 -0.015 0.000 0.192 188 E C 2.065 178.674 176.600 0.016 0.000 0.984 188 E CA 1.589 58.003 56.400 0.024 0.000 0.806 188 E CB -0.975 28.736 29.700 0.019 0.000 0.750 188 E HN 0.620 8.980 8.360 -0.000 0.000 0.458 189 T N 1.217 115.777 114.554 0.010 0.000 2.777 189 T HA -0.095 4.246 4.350 -0.015 0.000 0.266 189 T C 1.710 176.396 174.700 -0.023 0.000 1.040 189 T CA 1.129 63.217 62.100 -0.021 0.000 1.141 189 T CB -0.115 68.735 68.868 -0.029 0.000 0.868 189 T HN 0.108 8.348 8.240 -0.000 0.000 0.444 190 I N 1.535 122.131 120.570 0.043 0.000 2.163 190 I HA -0.158 4.003 4.170 -0.015 0.000 0.243 190 I C 2.445 178.660 176.117 0.163 0.000 1.085 190 I CA 1.537 62.931 61.300 0.156 0.000 1.347 190 I CB -1.038 37.066 38.000 0.173 0.000 1.044 190 I HN 0.286 8.496 8.210 -0.000 0.000 0.408 191 K N 1.172 121.625 120.400 0.089 0.000 2.063 191 K HA -0.178 4.133 4.320 -0.015 0.000 0.208 191 K C 2.220 178.842 176.600 0.037 0.000 1.048 191 K CA 1.385 57.712 56.287 0.067 0.000 0.928 191 K CB -0.096 32.429 32.500 0.042 0.000 0.713 191 K HN 0.209 8.459 8.250 -0.000 0.000 0.442 192 I N 0.582 121.155 120.570 0.005 0.000 2.127 192 I HA -0.247 3.914 4.170 -0.015 0.000 0.241 192 I C 2.478 178.552 176.117 -0.072 0.000 1.075 192 I CA 1.588 62.862 61.300 -0.044 0.000 1.334 192 I CB -0.685 37.282 38.000 -0.056 0.000 1.040 192 I HN 0.409 8.619 8.210 -0.000 0.000 0.405 193 G N 0.262 109.041 108.800 -0.035 0.000 2.421 193 G HA2 -0.195 3.756 3.960 -0.015 0.000 0.216 193 G HA3 -0.195 3.756 3.960 -0.015 0.000 0.216 193 G C 1.716 176.741 174.900 0.209 0.000 1.171 193 G CA 0.931 46.056 45.100 0.042 0.000 0.775 193 G HN 0.245 8.535 8.290 -0.000 0.000 0.543 194 V N 2.034 122.094 119.914 0.243 0.000 2.295 194 V HA -0.200 3.912 4.120 -0.015 0.000 0.246 194 V C 2.850 178.884 176.094 -0.100 0.000 1.049 194 V CA 2.430 64.785 62.300 0.091 0.000 1.024 194 V CB -0.533 31.383 31.823 0.154 0.000 0.648 194 V HN 0.816 9.006 8.190 -0.000 0.000 0.447 195 E N 0.461 120.621 120.200 -0.067 0.000 2.153 195 E HA -0.267 4.074 4.350 -0.015 0.000 0.194 195 E C 2.240 178.732 176.600 -0.181 0.000 0.988 195 E CA 1.394 57.729 56.400 -0.108 0.000 0.811 195 E CB -0.321 29.342 29.700 -0.062 0.000 0.746 195 E HN 0.543 8.903 8.360 -0.000 0.000 0.466 196 R N 0.711 121.074 120.500 -0.227 0.000 2.062 196 R HA -0.032 4.299 4.340 -0.015 0.000 0.229 196 R C 2.573 178.717 176.300 -0.260 0.000 1.128 196 R CA 1.320 57.233 56.100 -0.313 0.000 0.960 196 R CB -0.330 29.613 30.300 -0.594 0.000 0.855 196 R HN 0.049 8.319 8.270 -0.000 0.000 0.432 197 V N 1.355 121.100 119.914 -0.281 0.000 2.287 197 V HA -0.275 3.836 4.120 -0.015 0.000 0.248 197 V C 2.313 178.040 176.094 -0.612 0.000 1.053 197 V CA 2.080 64.155 62.300 -0.375 0.000 1.027 197 V CB -0.497 31.106 31.823 -0.367 0.000 0.646 197 V HN 0.411 8.601 8.190 -0.000 0.000 0.447 198 E N 0.152 119.858 120.200 -0.825 0.000 2.077 198 E HA -0.216 4.125 4.350 -0.015 0.000 0.193 198 E C 2.265 178.675 176.600 -0.317 0.000 0.989 198 E CA 1.289 57.218 56.400 -0.786 0.000 0.800 198 E CB -0.228 29.139 29.700 -0.554 0.000 0.746 198 E HN 0.554 8.914 8.360 -0.000 0.000 0.452 199 A N 1.172 123.862 122.820 -0.218 0.000 1.883 199 A HA -0.201 4.110 4.320 -0.015 0.000 0.217 199 A C 2.165 179.696 177.584 -0.089 0.000 1.186 199 A CA 1.597 53.569 52.037 -0.108 0.000 0.624 199 A CB -0.707 18.255 19.000 -0.064 0.000 0.822 199 A HN 0.342 8.492 8.150 -0.000 0.000 0.444 200 I N -1.170 119.336 120.570 -0.107 0.000 2.179 200 I HA -0.251 3.910 4.170 -0.015 0.000 0.242 200 I C 2.676 178.739 176.117 -0.090 0.000 1.088 200 I CA 1.741 62.994 61.300 -0.078 0.000 1.357 200 I CB -0.283 37.675 38.000 -0.070 0.000 1.051 200 I HN 0.294 8.504 8.210 -0.000 0.000 0.409 201 R N 1.722 122.143 120.500 -0.131 0.000 2.083 201 R HA -0.174 4.157 4.340 -0.015 0.000 0.237 201 R C 1.906 178.185 176.300 -0.035 0.000 1.137 201 R CA 1.848 57.903 56.100 -0.075 0.000 0.951 201 R CB -0.716 29.552 30.300 -0.053 0.000 0.851 201 R HN 0.320 8.590 8.270 -0.000 0.000 0.434 202 N N 0.254 118.929 118.700 -0.042 0.000 2.166 202 N HA -0.093 4.638 4.740 -0.015 0.000 0.186 202 N C 1.467 176.968 175.510 -0.016 0.000 1.019 202 N CA 1.607 54.648 53.050 -0.014 0.000 0.856 202 N CB -0.435 38.044 38.487 -0.013 0.000 0.993 202 N HN 0.383 8.763 8.380 -0.000 0.000 0.426 203 A N 0.555 123.360 122.820 -0.026 0.000 1.873 203 A HA -0.066 4.246 4.320 -0.015 0.000 0.215 203 A C 2.268 179.839 177.584 -0.022 0.000 1.186 203 A CA 1.843 53.868 52.037 -0.020 0.000 0.616 203 A CB -0.610 18.379 19.000 -0.019 0.000 0.823 203 A HN 0.211 8.361 8.150 -0.000 0.000 0.442 204 V N -3.557 116.338 119.914 -0.032 0.000 3.506 204 V HA 0.507 4.618 4.120 -0.015 0.000 0.263 204 V C 1.256 177.333 176.094 -0.029 0.000 1.203 204 V CA 0.502 62.781 62.300 -0.036 0.000 1.133 204 V CB -1.360 30.430 31.823 -0.055 0.000 0.802 204 V HN 1.716 9.906 8.190 -0.000 0.000 0.459 205 G N 1.453 110.240 108.800 -0.021 0.000 2.741 205 G HA2 -0.186 3.765 3.960 -0.015 0.000 0.222 205 G HA3 -0.186 3.765 3.960 -0.015 0.000 0.222 205 G C -1.164 173.727 174.900 -0.014 0.000 1.364 205 G CA 0.027 45.119 45.100 -0.013 0.000 0.866 205 G HN 0.400 8.690 8.290 -0.000 0.000 0.555 206 P HA 0.147 4.567 4.420 -0.000 0.000 0.231 206 P C 0.480 177.769 177.300 -0.019 0.000 1.168 206 P CA 1.398 64.493 63.100 -0.007 0.000 0.779 206 P CB 0.225 31.924 31.700 -0.001 0.000 0.844 207 D N -0.356 120.028 120.400 -0.028 0.000 2.368 207 D HA 0.131 4.763 4.640 -0.015 0.000 0.218 207 D C -0.024 176.239 176.300 -0.062 0.000 1.112 207 D CA 0.088 54.066 54.000 -0.037 0.000 0.834 207 D CB 1.039 41.823 40.800 -0.027 0.000 0.953 207 D HN 0.043 8.413 8.370 -0.000 0.000 0.505 208 V N 1.625 121.494 119.914 -0.074 0.000 2.409 208 V HA 0.151 4.262 4.120 -0.015 0.000 0.291 208 V C 0.059 176.063 176.094 -0.150 0.000 1.020 208 V CA -0.913 61.323 62.300 -0.108 0.000 0.848 208 V CB 2.522 34.292 31.823 -0.088 0.000 0.990 208 V HN -0.085 8.105 8.190 -0.000 0.000 0.430 209 D N 4.205 124.454 120.400 -0.251 0.000 2.304 209 D HA 0.484 5.115 4.640 -0.015 0.000 0.247 209 D C -0.363 175.759 176.300 -0.296 0.000 1.089 209 D CA 0.146 53.942 54.000 -0.340 0.000 0.910 209 D CB 2.134 42.448 40.800 -0.810 0.000 1.199 209 D HN 0.325 8.695 8.370 -0.000 0.000 0.426 210 I N 2.538 122.984 120.570 -0.207 0.000 2.410 210 I HA 0.300 4.461 4.170 -0.015 0.000 0.286 210 I C -0.135 175.853 176.117 -0.214 0.000 1.009 210 I CA -0.617 60.566 61.300 -0.195 0.000 1.111 210 I CB 1.476 39.403 38.000 -0.122 0.000 1.262 210 I HN 0.063 8.273 8.210 -0.000 0.000 0.443 211 I N 6.610 126.971 120.570 -0.348 0.000 2.359 211 I HA 0.335 4.496 4.170 -0.015 0.000 0.294 211 I C -0.306 175.676 176.117 -0.225 0.000 0.987 211 I CA -0.800 60.232 61.300 -0.447 0.000 1.225 211 I CB 1.783 39.247 38.000 -0.893 0.000 1.366 211 I HN 0.181 8.391 8.210 -0.000 0.000 0.466 212 V N 6.057 125.929 119.914 -0.071 0.000 2.370 212 V HA 0.282 4.393 4.120 -0.015 0.000 0.283 212 V C 0.048 176.230 176.094 0.147 0.000 1.023 212 V CA -0.561 61.789 62.300 0.084 0.000 0.857 212 V CB 1.411 33.341 31.823 0.178 0.000 0.985 212 V HN 0.690 8.880 8.190 -0.000 0.000 0.443 213 E N 3.572 123.801 120.200 0.049 0.000 2.151 213 E HA 0.350 4.691 4.350 -0.015 0.000 0.275 213 E C -0.173 176.395 176.600 -0.054 0.000 0.936 213 E CA -0.467 55.903 56.400 -0.051 0.000 0.777 213 E CB 1.210 30.795 29.700 -0.192 0.000 1.108 213 E HN 0.630 8.990 8.360 -0.000 0.000 0.401 214 N N 1.652 120.295 118.700 -0.094 0.000 2.254 214 N HA 0.045 4.776 4.740 -0.015 0.000 0.190 214 N C -0.509 174.907 175.510 -0.158 0.000 1.107 214 N CA 0.154 53.160 53.050 -0.073 0.000 0.869 214 N CB 0.033 38.465 38.487 -0.093 0.000 0.983 214 N HN 0.639 9.019 8.380 -0.000 0.000 0.487 215 H N -1.221 117.709 119.070 -0.233 0.000 2.921 215 H HA -0.183 4.364 4.556 -0.015 0.000 0.281 215 H C 1.090 176.170 175.328 -0.413 0.000 1.165 215 H CA 0.427 56.249 56.048 -0.376 0.000 1.151 215 H CB -1.172 28.194 29.762 -0.659 0.000 1.311 215 H HN 0.367 8.647 8.280 -0.000 0.000 0.361 216 G N -0.895 107.815 108.800 -0.150 0.000 2.187 216 G HA2 -0.425 3.526 3.960 -0.015 0.000 0.261 216 G HA3 -0.425 3.526 3.960 -0.015 0.000 0.261 216 G C 0.582 175.473 174.900 -0.014 0.000 1.000 216 G CA 1.037 46.089 45.100 -0.081 0.000 0.718 216 G HN 0.821 9.111 8.290 -0.000 0.000 0.519 217 H N 0.051 119.116 119.070 -0.008 0.000 2.482 217 H HA 0.110 4.657 4.556 -0.015 0.000 0.286 217 H C 2.163 177.406 175.328 -0.141 0.000 1.017 217 H CA 0.862 56.869 56.048 -0.069 0.000 1.322 217 H CB 0.275 30.000 29.762 -0.062 0.000 1.426 217 H HN 0.598 8.878 8.280 -0.000 0.000 0.546 218 T N -0.095 114.461 114.554 0.003 0.000 2.788 218 T HA 0.217 4.558 4.350 -0.015 0.000 0.280 218 T C 0.127 174.793 174.700 -0.057 0.000 0.984 218 T CA -0.828 61.239 62.100 -0.055 0.000 0.972 218 T CB 1.824 70.676 68.868 -0.026 0.000 1.039 218 T HN 0.243 8.483 8.240 -0.000 0.000 0.530 219 D N -0.745 119.626 120.400 -0.048 0.000 2.689 219 D HA 0.262 4.893 4.640 -0.015 0.000 0.255 219 D C 1.379 177.678 176.300 -0.002 0.000 1.113 219 D CA -1.113 52.872 54.000 -0.024 0.000 1.115 219 D CB 0.306 41.095 40.800 -0.017 0.000 1.334 219 D HN 0.498 8.868 8.370 -0.000 0.000 0.621 220 L N -0.067 121.161 121.223 0.008 0.000 2.021 220 L HA -0.211 4.120 4.340 -0.015 0.000 0.215 220 L C 1.807 178.701 176.870 0.041 0.000 1.074 220 L CA 1.671 56.525 54.840 0.023 0.000 0.760 220 L CB -0.231 41.841 42.059 0.022 0.000 0.889 220 L HN 0.344 8.574 8.230 -0.000 0.000 0.433 221 V N -0.160 119.776 119.914 0.037 0.000 2.270 221 V HA -0.252 3.859 4.120 -0.015 0.000 0.245 221 V C 2.728 178.861 176.094 0.064 0.000 1.043 221 V CA 1.856 64.184 62.300 0.047 0.000 1.014 221 V CB -0.678 31.169 31.823 0.040 0.000 0.645 221 V HN 0.743 8.933 8.190 -0.000 0.000 0.447 222 S N 1.182 116.914 115.700 0.054 0.000 2.402 222 S HA -0.117 4.344 4.470 -0.015 0.000 0.229 222 S C 2.095 176.784 174.600 0.148 0.000 1.021 222 S CA 1.252 59.496 58.200 0.074 0.000 0.974 222 S CB -0.578 62.632 63.200 0.016 0.000 0.800 222 S HN 0.563 8.873 8.310 -0.000 0.000 0.484 223 A N 1.999 124.902 122.820 0.138 0.000 1.902 223 A HA 0.103 4.415 4.320 -0.015 0.000 0.217 223 A C 2.209 179.981 177.584 0.314 0.000 1.181 223 A CA 1.359 53.539 52.037 0.238 0.000 0.623 223 A CB -0.789 18.257 19.000 0.077 0.000 0.818 223 A HN 0.555 8.705 8.150 -0.000 0.000 0.443 224 I N -0.824 119.858 120.570 0.187 0.000 2.202 224 I HA -0.297 3.864 4.170 -0.015 0.000 0.242 224 I C 2.818 179.009 176.117 0.124 0.000 1.091 224 I CA 1.752 63.139 61.300 0.144 0.000 1.368 224 I CB -0.358 37.695 38.000 0.089 0.000 1.058 224 I HN 0.510 8.720 8.210 -0.000 0.000 0.410 225 Q N 0.448 120.327 119.800 0.131 0.000 2.061 225 Q HA -0.279 4.052 4.340 -0.015 0.000 0.204 225 Q C 2.276 178.376 176.000 0.167 0.000 0.984 225 Q CA 2.111 57.988 55.803 0.124 0.000 0.846 225 Q CB -0.161 28.651 28.738 0.123 0.000 0.902 225 Q HN 0.435 8.705 8.270 -0.000 0.000 0.421 226 F N 0.423 120.411 119.950 0.064 0.000 2.206 226 F HA 0.000 4.518 4.527 -0.015 0.000 0.298 226 F C 2.027 177.812 175.800 -0.026 0.000 1.090 226 F CA 1.093 59.121 58.000 0.047 0.000 1.323 226 F CB -0.643 38.417 39.000 0.099 0.000 1.028 226 F HN 0.137 8.437 8.300 -0.000 0.000 0.492 227 A N 0.374 123.125 122.820 -0.115 0.000 1.908 227 A HA -0.249 4.062 4.320 -0.015 0.000 0.218 227 A C 2.309 179.731 177.584 -0.271 0.000 1.181 227 A CA 1.975 53.805 52.037 -0.345 0.000 0.627 227 A CB -0.769 18.154 19.000 -0.127 0.000 0.818 227 A HN 0.427 8.577 8.150 -0.000 0.000 0.445 228 K N -0.554 119.765 120.400 -0.135 0.000 2.074 228 K HA -0.161 4.150 4.320 -0.015 0.000 0.209 228 K C 2.201 178.706 176.600 -0.158 0.000 1.048 228 K CA 1.353 57.571 56.287 -0.114 0.000 0.926 228 K CB -0.320 32.152 32.500 -0.047 0.000 0.713 228 K HN 0.480 8.730 8.250 -0.000 0.000 0.444 229 A N 1.189 123.900 122.820 -0.181 0.000 2.014 229 A HA -0.056 4.255 4.320 -0.015 0.000 0.218 229 A C 1.930 179.393 177.584 -0.203 0.000 1.163 229 A CA 1.103 53.045 52.037 -0.157 0.000 0.652 229 A CB -0.468 18.491 19.000 -0.069 0.000 0.808 229 A HN 0.481 8.631 8.150 -0.000 0.000 0.449 230 I N -2.706 117.647 120.570 -0.362 0.000 4.018 230 I HA 0.149 4.310 4.170 -0.015 0.000 0.337 230 I C 1.574 177.580 176.117 -0.186 0.000 1.327 230 I CA 0.765 61.954 61.300 -0.186 0.000 1.100 230 I CB -0.200 37.541 38.000 -0.431 0.000 1.025 230 I HN 0.370 8.580 8.210 -0.000 0.000 0.396 231 E N 2.994 123.032 120.200 -0.271 0.000 2.209 231 E HA -0.287 4.055 4.350 -0.015 0.000 0.196 231 E C 1.595 178.046 176.600 -0.249 0.000 0.993 231 E CA 1.627 57.890 56.400 -0.229 0.000 0.819 231 E CB -0.517 29.067 29.700 -0.192 0.000 0.745 231 E HN 0.838 9.198 8.360 -0.000 0.000 0.477 232 E N 0.694 120.647 120.200 -0.411 0.000 2.409 232 E HA -0.150 4.191 4.350 -0.015 0.000 0.198 232 E C 1.074 177.358 176.600 -0.527 0.000 1.024 232 E CA 0.598 56.691 56.400 -0.511 0.000 0.861 232 E CB -0.410 28.882 29.700 -0.679 0.000 0.788 232 E HN 0.441 8.801 8.360 -0.000 0.000 0.521 233 F N 1.538 121.419 119.950 -0.115 0.000 2.732 233 F HA 0.178 4.696 4.527 -0.014 0.000 0.303 233 F C 0.508 176.257 175.800 -0.085 0.000 1.110 233 F CA -0.076 57.864 58.000 -0.099 0.000 1.355 233 F CB -0.199 38.732 39.000 -0.114 0.000 1.081 233 F HN -0.004 8.296 8.300 -0.000 0.000 0.565 234 N N 2.184 120.897 118.700 0.021 0.000 2.663 234 N HA -0.176 4.555 4.740 -0.015 0.000 0.263 234 N C -0.795 174.735 175.510 0.033 0.000 1.109 234 N CA -0.381 52.678 53.050 0.016 0.000 0.701 234 N CB -0.545 37.958 38.487 0.026 0.000 0.879 234 N HN -0.026 8.354 8.380 -0.000 0.000 0.550 235 I N 2.818 123.387 120.570 -0.001 0.000 2.496 235 I HA -0.002 4.159 4.170 -0.015 0.000 0.285 235 I C 1.651 177.793 176.117 0.041 0.000 1.080 235 I CA -0.089 61.204 61.300 -0.012 0.000 1.404 235 I CB 0.125 38.067 38.000 -0.097 0.000 1.403 235 I HN 0.297 8.507 8.210 -0.000 0.000 0.539 236 F N 7.624 127.485 119.950 -0.149 0.000 2.084 236 F HA -0.074 4.444 4.527 -0.015 0.000 0.296 236 F C 0.604 176.406 175.800 0.003 0.000 1.111 236 F CA 1.097 59.017 58.000 -0.132 0.000 1.224 236 F CB 0.137 38.964 39.000 -0.288 0.000 0.991 236 F HN 0.456 8.756 8.300 -0.000 0.000 0.471 237 F N -3.195 116.749 119.950 -0.010 0.000 2.741 237 F HA 0.460 4.978 4.527 -0.015 0.000 0.313 237 F C -1.987 173.865 175.800 0.086 0.000 1.153 237 F CA -2.065 55.907 58.000 -0.047 0.000 0.931 237 F CB 0.589 39.502 39.000 -0.145 0.000 1.335 237 F HN -0.214 8.086 8.300 -0.000 0.000 0.460 238 Y N 1.877 122.339 120.300 0.270 0.000 2.327 238 Y HA 0.475 5.016 4.550 -0.015 0.000 0.325 238 Y C -1.009 174.979 175.900 0.146 0.000 0.999 238 Y CA -1.575 56.604 58.100 0.132 0.000 1.195 238 Y CB 1.234 39.736 38.460 0.072 0.000 1.132 238 Y HN 0.885 9.165 8.280 -0.000 0.000 0.455 239 E N 4.526 124.797 120.200 0.118 0.000 2.179 239 E HA 0.299 4.640 4.350 -0.015 0.000 0.275 239 E C -0.701 175.810 176.600 -0.148 0.000 0.945 239 E CA -0.372 56.044 56.400 0.027 0.000 0.792 239 E CB 0.788 30.563 29.700 0.124 0.000 1.125 239 E HN 0.721 9.081 8.360 -0.000 0.000 0.397 240 E N 3.088 123.193 120.200 -0.159 0.000 2.222 240 E HA -0.198 4.144 4.350 -0.015 0.000 0.189 240 E C 0.784 177.258 176.600 -0.210 0.000 1.415 240 E CA 0.683 56.980 56.400 -0.172 0.000 0.689 240 E CB -1.301 28.320 29.700 -0.132 0.000 1.107 240 E HN 0.628 8.988 8.360 -0.000 0.000 0.350 241 I N -1.844 118.566 120.570 -0.267 0.000 3.578 241 I HA 0.001 4.162 4.170 -0.015 0.000 0.295 241 I C 0.835 176.857 176.117 -0.157 0.000 1.280 241 I CA 0.324 61.433 61.300 -0.319 0.000 1.347 241 I CB -0.033 37.659 38.000 -0.513 0.000 1.051 241 I HN 0.240 8.450 8.210 -0.000 0.000 0.460 242 N N 0.159 118.794 118.700 -0.109 0.000 3.526 242 N HA 0.170 4.901 4.740 -0.015 0.000 0.328 242 N C -0.929 174.559 175.510 -0.036 0.000 1.601 242 N CA -0.566 52.451 53.050 -0.055 0.000 0.834 242 N CB 0.627 39.097 38.487 -0.029 0.000 1.983 242 N HN -0.141 8.239 8.380 -0.000 0.000 0.579 243 T N 1.832 116.381 114.554 -0.008 0.000 2.780 243 T HA 0.364 4.705 4.350 -0.015 0.000 0.294 243 T C -1.632 173.084 174.700 0.026 0.000 0.949 243 T CA -0.790 61.314 62.100 0.006 0.000 1.074 243 T CB 1.146 70.026 68.868 0.020 0.000 0.910 243 T HN 0.419 8.659 8.240 -0.000 0.000 0.501 244 P HA 0.145 4.565 4.420 -0.000 0.000 0.245 244 P C 1.272 178.656 177.300 0.141 0.000 1.212 244 P CA 0.208 63.367 63.100 0.097 0.000 0.774 244 P CB 0.217 31.879 31.700 -0.062 0.000 0.999 245 L N -0.687 120.575 121.223 0.066 0.000 2.201 245 L HA -0.020 4.311 4.340 -0.015 0.000 0.212 245 L C 1.114 177.996 176.870 0.019 0.000 1.105 245 L CA 0.902 55.772 54.840 0.050 0.000 0.775 245 L CB -0.445 41.641 42.059 0.046 0.000 0.913 245 L HN 0.051 8.281 8.230 -0.000 0.000 0.440 246 N N -0.023 118.680 118.700 0.006 0.000 2.816 246 N HA 0.158 4.889 4.740 -0.015 0.000 0.236 246 N C -1.939 173.516 175.510 -0.092 0.000 1.076 246 N CA -2.051 50.977 53.050 -0.038 0.000 0.902 246 N CB 1.215 39.691 38.487 -0.019 0.000 1.149 246 N HN -0.150 8.230 8.380 -0.000 0.000 0.506 247 P HA -0.111 4.309 4.420 -0.000 0.000 0.219 247 P C 1.254 178.329 177.300 -0.374 0.000 1.146 247 P CA 0.814 63.571 63.100 -0.572 0.000 0.808 247 P CB 0.327 31.343 31.700 -1.141 0.000 0.779 248 R N 0.109 120.470 120.500 -0.232 0.000 2.159 248 R HA -0.094 4.237 4.340 -0.015 0.000 0.237 248 R C 1.988 178.245 176.300 -0.073 0.000 1.131 248 R CA 0.966 56.982 56.100 -0.141 0.000 0.982 248 R CB -0.769 29.472 30.300 -0.098 0.000 0.868 248 R HN 0.200 8.470 8.270 -0.000 0.000 0.453 249 L N 0.362 121.556 121.223 -0.049 0.000 2.131 249 L HA -0.200 4.131 4.340 -0.015 0.000 0.210 249 L C 2.300 179.179 176.870 0.013 0.000 1.092 249 L CA 0.567 55.401 54.840 -0.009 0.000 0.759 249 L CB -0.387 41.674 42.059 0.003 0.000 0.903 249 L HN 0.245 8.475 8.230 -0.000 0.000 0.435 250 L N 0.275 121.522 121.223 0.040 0.000 2.141 250 L HA -0.188 4.143 4.340 -0.015 0.000 0.209 250 L C 2.569 179.466 176.870 0.046 0.000 1.094 250 L CA 1.655 56.540 54.840 0.076 0.000 0.763 250 L CB -0.538 41.642 42.059 0.201 0.000 0.908 250 L HN 0.147 8.377 8.230 -0.000 0.000 0.437 251 K N -0.818 119.591 120.400 0.015 0.000 2.057 251 K HA -0.186 4.125 4.320 -0.015 0.000 0.207 251 K C 1.856 178.460 176.600 0.006 0.000 1.049 251 K CA 1.397 57.686 56.287 0.003 0.000 0.931 251 K CB 0.014 32.498 32.500 -0.027 0.000 0.714 251 K HN 0.286 8.536 8.250 -0.000 0.000 0.440 252 E N 0.533 120.735 120.200 0.003 0.000 2.077 252 E HA -0.181 4.160 4.350 -0.015 0.000 0.193 252 E C 2.020 178.631 176.600 0.019 0.000 0.989 252 E CA 1.243 57.648 56.400 0.008 0.000 0.800 252 E CB -0.370 29.333 29.700 0.005 0.000 0.746 252 E HN 0.450 8.810 8.360 -0.000 0.000 0.452 253 A N 1.768 124.604 122.820 0.026 0.000 1.883 253 A HA -0.239 4.072 4.320 -0.015 0.000 0.217 253 A C 2.175 179.786 177.584 0.045 0.000 1.186 253 A CA 2.055 54.115 52.037 0.039 0.000 0.624 253 A CB -0.511 18.512 19.000 0.038 0.000 0.822 253 A HN 0.200 8.350 8.150 -0.000 0.000 0.444 254 K N 0.014 120.437 120.400 0.038 0.000 2.147 254 K HA -0.158 4.153 4.320 -0.015 0.000 0.205 254 K C 1.837 178.453 176.600 0.027 0.000 1.049 254 K CA 1.537 57.846 56.287 0.037 0.000 0.936 254 K CB -0.161 32.356 32.500 0.030 0.000 0.722 254 K HN 0.479 8.729 8.250 -0.000 0.000 0.446 255 K N 0.111 120.524 120.400 0.021 0.000 2.160 255 K HA -0.135 4.176 4.320 -0.015 0.000 0.206 255 K C 1.716 178.325 176.600 0.015 0.000 1.047 255 K CA 1.186 57.482 56.287 0.014 0.000 0.930 255 K CB 0.101 32.608 32.500 0.011 0.000 0.720 255 K HN 0.026 8.276 8.250 -0.000 0.000 0.450 256 K N -0.033 120.381 120.400 0.024 0.000 2.348 256 K HA 0.208 4.519 4.320 -0.015 0.000 0.194 256 K C 0.620 177.234 176.600 0.024 0.000 1.052 256 K CA 0.351 56.652 56.287 0.023 0.000 1.004 256 K CB 0.689 33.208 32.500 0.031 0.000 0.873 256 K HN 0.089 8.339 8.250 -0.000 0.000 0.523 257 I N 2.340 122.933 120.570 0.038 0.000 2.339 257 I HA 0.118 4.279 4.170 -0.015 0.000 0.290 257 I C -0.417 175.717 176.117 0.028 0.000 0.994 257 I CA -0.334 60.995 61.300 0.049 0.000 1.191 257 I CB 1.533 39.605 38.000 0.120 0.000 1.343 257 I HN -0.162 8.048 8.210 -0.000 0.000 0.458 258 D N 7.657 128.055 120.400 -0.003 0.000 2.755 258 D HA 0.362 4.993 4.640 -0.015 0.000 0.257 258 D C -0.015 176.269 176.300 -0.028 0.000 1.291 258 D CA 0.241 54.231 54.000 -0.016 0.000 0.836 258 D CB 0.509 41.291 40.800 -0.031 0.000 1.059 258 D HN 0.299 8.669 8.370 -0.000 0.000 0.486 259 I N 0.800 121.364 120.570 -0.009 0.000 2.493 259 I HA 0.285 4.446 4.170 -0.015 0.000 0.298 259 I C -2.330 173.817 176.117 0.050 0.000 0.998 259 I CA -2.504 58.794 61.300 -0.003 0.000 1.137 259 I CB 2.117 40.090 38.000 -0.044 0.000 1.310 259 I HN -0.380 7.830 8.210 -0.000 0.000 0.445 260 P HA 0.117 4.537 4.420 -0.000 0.000 0.266 260 P C -0.952 176.402 177.300 0.090 0.000 1.195 260 P CA 0.171 63.283 63.100 0.021 0.000 0.768 260 P CB 0.409 32.084 31.700 -0.041 0.000 0.838 261 L N 1.980 123.220 121.223 0.028 0.000 2.334 261 L HA 0.756 5.088 4.340 -0.015 0.000 0.275 261 L C 0.357 177.166 176.870 -0.101 0.000 1.036 261 L CA -0.820 54.034 54.840 0.022 0.000 0.807 261 L CB 1.613 43.674 42.059 0.003 0.000 1.231 261 L HN 0.346 8.576 8.230 -0.000 0.000 0.438 262 A N 1.887 124.643 122.820 -0.107 0.000 2.401 262 A HA 0.836 5.148 4.320 -0.015 0.000 0.310 262 A C -0.735 176.746 177.584 -0.173 0.000 1.075 262 A CA -0.440 51.455 52.037 -0.237 0.000 0.746 262 A CB 2.084 20.836 19.000 -0.414 0.000 1.277 262 A HN 0.569 8.719 8.150 -0.000 0.000 0.425 263 S N -0.538 115.042 115.700 -0.200 0.000 2.567 263 S HA 0.714 5.176 4.470 -0.015 0.000 0.270 263 S C 0.138 174.650 174.600 -0.147 0.000 1.152 263 S CA 0.555 58.626 58.200 -0.215 0.000 0.835 263 S CB 1.407 64.385 63.200 -0.370 0.000 1.115 263 S HN 2.317 10.627 8.310 -0.000 0.000 0.459 264 G N 1.886 110.603 108.800 -0.139 0.000 3.990 264 G HA2 -0.021 3.930 3.960 -0.015 0.000 0.213 264 G HA3 -0.021 3.930 3.960 -0.015 0.000 0.213 264 G C 0.625 175.507 174.900 -0.031 0.000 0.849 264 G CA 0.544 45.657 45.100 0.022 0.000 0.857 264 G HN 0.759 9.049 8.290 -0.000 0.000 0.484 265 E N 0.625 120.764 120.200 -0.102 0.000 2.274 265 E HA 0.035 4.376 4.350 -0.015 0.000 0.194 265 E C 1.578 178.101 176.600 -0.128 0.000 0.996 265 E CA 0.344 56.645 56.400 -0.165 0.000 0.840 265 E CB -0.036 29.314 29.700 -0.583 0.000 0.772 265 E HN 0.365 8.725 8.360 -0.000 0.000 0.491 266 R N 0.646 120.988 120.500 -0.263 0.000 2.696 266 R HA 0.418 4.749 4.340 -0.015 0.000 0.355 266 R C -0.547 175.199 176.300 -0.922 0.000 1.138 266 R CA -0.154 55.714 56.100 -0.387 0.000 1.059 266 R CB 0.498 30.713 30.300 -0.143 0.000 1.380 266 R HN 0.141 8.411 8.270 -0.000 0.000 0.578 267 I N 0.399 120.309 120.570 -1.101 0.000 2.533 267 I HA 0.355 4.516 4.170 -0.015 0.000 0.290 267 I C -1.182 174.337 176.117 -0.997 0.000 1.056 267 I CA -1.126 59.454 61.300 -1.201 0.000 1.057 267 I CB 1.768 38.932 38.000 -1.393 0.000 1.240 267 I HN -0.054 8.156 8.210 -0.000 0.000 0.423 268 Y N 3.646 123.852 120.300 -0.156 0.000 2.406 268 Y HA 0.627 5.168 4.550 -0.015 0.000 0.340 268 Y C 0.376 176.184 175.900 -0.152 0.000 0.975 268 Y CA -1.075 57.004 58.100 -0.036 0.000 1.056 268 Y CB 1.862 40.370 38.460 0.081 0.000 1.210 268 Y HN 0.788 9.068 8.280 -0.000 0.000 0.448 269 S N 0.994 116.712 115.700 0.030 0.000 3.832 269 S HA -0.226 4.235 4.470 -0.015 0.000 0.719 269 S C 0.751 175.491 174.600 0.232 0.000 1.382 269 S CA 0.246 58.456 58.200 0.017 0.000 1.406 269 S CB -0.324 62.697 63.200 -0.298 0.000 0.425 269 S HN 0.912 9.222 8.310 -0.000 0.000 0.834 270 R N 0.152 120.719 120.500 0.113 0.000 2.119 270 R HA -0.131 4.201 4.340 -0.015 0.000 0.246 270 R C 2.080 178.369 176.300 -0.018 0.000 1.146 270 R CA 2.630 58.682 56.100 -0.079 0.000 0.962 270 R CB -0.369 29.642 30.300 -0.482 0.000 0.863 270 R HN 0.756 9.026 8.270 -0.000 0.000 0.442 271 W N -0.437 120.891 121.300 0.046 0.000 2.388 271 W HA -0.017 4.634 4.660 -0.015 0.000 0.294 271 W C 2.194 178.755 176.519 0.070 0.000 1.212 271 W CA 1.028 58.424 57.345 0.084 0.000 1.271 271 W CB -0.540 29.012 29.460 0.153 0.000 1.126 271 W HN 0.308 8.488 8.180 -0.000 0.000 0.535 272 G N -0.082 108.880 108.800 0.270 0.000 2.404 272 G HA2 -0.244 3.708 3.960 -0.015 0.000 0.215 272 G HA3 -0.244 3.708 3.960 -0.015 0.000 0.215 272 G C 1.232 176.123 174.900 -0.015 0.000 1.174 272 G CA 0.526 45.660 45.100 0.057 0.000 0.780 272 G HN 0.118 8.408 8.290 -0.000 0.000 0.537 273 F N 0.090 120.093 119.950 0.087 0.000 2.456 273 F HA 0.169 4.687 4.527 -0.015 0.000 0.298 273 F C 2.300 178.137 175.800 0.062 0.000 1.104 273 F CA 0.183 58.233 58.000 0.083 0.000 1.435 273 F CB -0.239 38.720 39.000 -0.070 0.000 1.078 273 F HN 0.093 8.393 8.300 -0.000 0.000 0.546 274 L N 2.331 123.632 121.223 0.130 0.000 1.978 274 L HA -0.173 4.158 4.340 -0.015 0.000 0.218 274 L C -0.520 176.302 176.870 -0.079 0.000 1.075 274 L CA 2.357 57.188 54.840 -0.014 0.000 0.767 274 L CB -1.922 40.110 42.059 -0.045 0.000 0.890 274 L HN -0.080 8.150 8.230 -0.000 0.000 0.434 275 P HA -0.189 4.231 4.420 -0.000 0.000 0.218 275 P C 1.703 178.816 177.300 -0.312 0.000 1.149 275 P CA 1.703 64.658 63.100 -0.243 0.000 0.817 275 P CB -0.281 31.204 31.700 -0.359 0.000 0.785 276 F N -0.470 119.399 119.950 -0.135 0.000 2.234 276 F HA -0.042 4.477 4.527 -0.014 0.000 0.299 276 F C 2.570 178.242 175.800 -0.212 0.000 1.087 276 F CA 0.952 58.868 58.000 -0.139 0.000 1.340 276 F CB -1.184 37.753 39.000 -0.106 0.000 1.031 276 F HN -0.233 8.067 8.300 -0.000 0.000 0.500 277 L N -0.418 120.714 121.223 -0.151 0.000 2.072 277 L HA -0.145 4.186 4.340 -0.015 0.000 0.205 277 L C 2.294 178.707 176.870 -0.761 0.000 1.079 277 L CA 1.264 55.730 54.840 -0.623 0.000 0.752 277 L CB -0.687 40.823 42.059 -0.915 0.000 0.906 277 L HN 0.115 8.345 8.230 -0.000 0.000 0.436 278 E N 0.239 120.168 120.200 -0.451 0.000 2.085 278 E HA -0.242 4.099 4.350 -0.015 0.000 0.194 278 E C 1.454 177.983 176.600 -0.118 0.000 0.994 278 E CA 1.452 57.728 56.400 -0.207 0.000 0.801 278 E CB -0.042 29.589 29.700 -0.116 0.000 0.743 278 E HN 0.450 8.809 8.360 -0.000 0.000 0.453 279 D N -0.215 120.104 120.400 -0.134 0.000 2.347 279 D HA -0.052 4.579 4.640 -0.015 0.000 0.215 279 D C 0.468 176.743 176.300 -0.041 0.000 0.976 279 D CA 0.299 54.252 54.000 -0.078 0.000 0.884 279 D CB 0.064 40.807 40.800 -0.095 0.000 0.915 279 D HN -0.093 8.277 8.370 -0.000 0.000 0.526 280 R N 0.334 120.792 120.500 -0.069 0.000 3.405 280 R HA -0.199 4.132 4.340 -0.015 0.000 0.258 280 R C 0.675 176.978 176.300 0.005 0.000 1.030 280 R CA 0.693 56.779 56.100 -0.023 0.000 0.691 280 R CB -2.593 27.736 30.300 0.048 0.000 1.093 280 R HN 0.210 8.480 8.270 -0.000 0.000 0.448 281 S N -1.966 113.751 115.700 0.027 0.000 2.524 281 S HA 0.253 4.714 4.470 -0.015 0.000 0.216 281 S C 0.904 175.533 174.600 0.048 0.000 0.987 281 S CA 0.176 58.410 58.200 0.056 0.000 0.909 281 S CB 0.321 63.583 63.200 0.102 0.000 0.781 281 S HN 0.365 8.675 8.310 -0.000 0.000 0.521 282 I N 2.173 122.760 120.570 0.028 0.000 2.378 282 I HA 0.349 4.510 4.170 -0.015 0.000 0.291 282 I C 0.055 176.130 176.117 -0.069 0.000 0.992 282 I CA -0.612 60.662 61.300 -0.043 0.000 1.154 282 I CB 1.879 39.828 38.000 -0.086 0.000 1.315 282 I HN -0.004 8.206 8.210 -0.000 0.000 0.448 283 D N 4.206 124.542 120.400 -0.107 0.000 2.240 283 D HA 0.066 4.697 4.640 -0.015 0.000 0.206 283 D C 0.206 176.384 176.300 -0.203 0.000 0.963 283 D CA 1.316 55.239 54.000 -0.128 0.000 0.863 283 D CB 0.940 41.666 40.800 -0.124 0.000 0.973 283 D HN 0.156 8.526 8.370 -0.000 0.000 0.501 284 V N 3.065 122.793 119.914 -0.309 0.000 2.447 284 V HA 0.283 4.394 4.120 -0.015 0.000 0.292 284 V C 0.105 175.998 176.094 -0.334 0.000 1.021 284 V CA -0.891 61.163 62.300 -0.410 0.000 0.850 284 V CB 1.806 33.133 31.823 -0.826 0.000 1.005 284 V HN 0.003 8.193 8.190 -0.000 0.000 0.426 285 I N 2.196 122.618 120.570 -0.247 0.000 2.499 285 I HA 0.621 4.782 4.170 -0.015 0.000 0.296 285 I C 0.011 176.034 176.117 -0.157 0.000 0.992 285 I CA -0.220 60.966 61.300 -0.190 0.000 1.297 285 I CB 1.132 38.951 38.000 -0.303 0.000 1.410 285 I HN 0.589 8.799 8.210 -0.000 0.000 0.507 286 Q N 4.556 124.339 119.800 -0.028 0.000 2.656 286 Q HA 0.360 4.691 4.340 -0.015 0.000 0.389 286 Q C -2.504 173.606 176.000 0.184 0.000 0.883 286 Q CA -1.771 54.076 55.803 0.074 0.000 1.056 286 Q CB 0.740 29.539 28.738 0.102 0.000 1.391 286 Q HN 0.534 8.804 8.270 -0.000 0.000 0.399 287 P HA -0.066 4.354 4.420 -0.000 0.000 0.269 287 P C -0.540 176.990 177.300 0.382 0.000 1.209 287 P CA 0.132 63.385 63.100 0.254 0.000 0.776 287 P CB 0.984 32.655 31.700 -0.049 0.000 0.876 288 D N 2.483 123.118 120.400 0.393 0.000 2.232 288 D HA 0.112 4.743 4.640 -0.015 0.000 0.242 288 D C 1.513 178.003 176.300 0.316 0.000 1.093 288 D CA -0.445 53.789 54.000 0.391 0.000 0.845 288 D CB 0.953 42.021 40.800 0.447 0.000 1.124 288 D HN 0.228 8.598 8.370 -0.000 0.000 0.467 289 L N 3.043 124.379 121.223 0.189 0.000 2.089 289 L HA -0.179 4.152 4.340 -0.015 0.000 0.213 289 L C 2.129 179.031 176.870 0.054 0.000 1.079 289 L CA 1.694 56.546 54.840 0.021 0.000 0.758 289 L CB -0.175 41.702 42.059 -0.304 0.000 0.891 289 L HN 0.532 8.762 8.230 -0.000 0.000 0.433 290 G N -2.242 106.609 108.800 0.085 0.000 2.920 290 G HA2 -0.060 3.891 3.960 -0.015 0.000 0.208 290 G HA3 -0.060 3.891 3.960 -0.015 0.000 0.208 290 G C 1.260 176.236 174.900 0.127 0.000 1.159 290 G CA 0.911 46.059 45.100 0.079 0.000 0.784 290 G HN 0.491 8.781 8.290 -0.000 0.000 0.535 291 T N -4.018 110.661 114.554 0.209 0.000 3.010 291 T HA -0.087 4.254 4.350 -0.015 0.000 0.253 291 T C 2.187 177.102 174.700 0.358 0.000 0.939 291 T CA 0.872 63.110 62.100 0.230 0.000 0.910 291 T CB -0.561 68.463 68.868 0.259 0.000 1.226 291 T HN 0.364 8.604 8.240 -0.000 0.000 0.508 292 C N 1.738 121.270 119.300 0.385 0.000 2.500 292 C HA 0.696 5.147 4.460 -0.015 0.000 0.273 292 C C 2.122 177.312 174.990 0.332 0.000 1.428 292 C CA 0.176 59.426 59.018 0.387 0.000 1.766 292 C CB -1.279 26.685 27.740 0.372 0.000 1.817 292 C HN 1.069 9.299 8.230 -0.000 0.000 0.543 293 G N -0.772 108.270 108.800 0.403 0.000 2.173 293 G HA2 0.450 4.402 3.960 -0.015 0.000 0.142 293 G HA3 0.450 4.402 3.960 -0.015 0.000 0.142 293 G C 0.688 175.951 174.900 0.605 0.000 1.019 293 G CA 0.247 45.719 45.100 0.621 0.000 0.699 293 G HN 2.284 10.574 8.290 -0.000 0.000 0.495 294 G N -1.165 107.839 108.800 0.340 0.000 2.725 294 G HA2 0.014 3.965 3.960 -0.015 0.000 0.220 294 G HA3 0.014 3.965 3.960 -0.015 0.000 0.220 294 G C 0.620 175.604 174.900 0.139 0.000 1.357 294 G CA 0.135 45.350 45.100 0.192 0.000 0.866 294 G HN 0.860 9.150 8.290 -0.000 0.000 0.548 295 F N 0.402 120.390 119.950 0.063 0.000 2.126 295 F HA -0.114 4.404 4.527 -0.015 0.000 0.299 295 F C 3.260 179.004 175.800 -0.093 0.000 1.096 295 F CA 2.322 60.195 58.000 -0.212 0.000 1.255 295 F CB -0.503 38.015 39.000 -0.804 0.000 0.997 295 F HN 0.547 8.847 8.300 -0.000 0.000 0.479 296 T N -0.826 113.928 114.554 0.333 0.000 2.652 296 T HA -0.272 4.069 4.350 -0.015 0.000 0.267 296 T C 1.737 176.470 174.700 0.054 0.000 1.039 296 T CA 1.881 64.147 62.100 0.276 0.000 1.153 296 T CB -0.312 68.797 68.868 0.401 0.000 0.863 296 T HN 0.156 8.396 8.240 -0.000 0.000 0.428 297 E N 0.171 120.415 120.200 0.073 0.000 2.112 297 E HA 0.057 4.399 4.350 -0.015 0.000 0.190 297 E C 1.720 178.355 176.600 0.059 0.000 0.979 297 E CA 0.488 56.874 56.400 -0.023 0.000 0.814 297 E CB -0.427 29.359 29.700 0.144 0.000 0.762 297 E HN 0.523 8.883 8.360 -0.000 0.000 0.460 298 F N 1.368 121.320 119.950 0.004 0.000 2.095 298 F HA -0.224 4.294 4.527 -0.014 0.000 0.298 298 F C 2.169 177.927 175.800 -0.071 0.000 1.104 298 F CA 1.993 59.971 58.000 -0.036 0.000 1.232 298 F CB -0.050 38.941 39.000 -0.015 0.000 0.987 298 F HN -0.048 8.252 8.300 -0.000 0.000 0.475 299 K N 0.508 121.049 120.400 0.235 0.000 2.032 299 K HA -0.226 4.085 4.320 -0.015 0.000 0.209 299 K C 2.076 178.647 176.600 -0.049 0.000 1.048 299 K CA 1.835 58.180 56.287 0.096 0.000 0.927 299 K CB -0.125 32.411 32.500 0.060 0.000 0.712 299 K HN 0.257 8.507 8.250 -0.000 0.000 0.441 300 K N 0.335 120.687 120.400 -0.079 0.000 2.057 300 K HA -0.117 4.194 4.320 -0.015 0.000 0.207 300 K C 2.128 178.625 176.600 -0.172 0.000 1.049 300 K CA 1.634 57.844 56.287 -0.129 0.000 0.931 300 K CB -0.160 32.233 32.500 -0.179 0.000 0.714 300 K HN 0.183 8.433 8.250 -0.000 0.000 0.440 301 I N 1.044 121.473 120.570 -0.236 0.000 2.179 301 I HA -0.278 3.883 4.170 -0.015 0.000 0.242 301 I C 2.547 178.440 176.117 -0.374 0.000 1.088 301 I CA 1.213 62.304 61.300 -0.348 0.000 1.357 301 I CB -0.404 37.271 38.000 -0.542 0.000 1.051 301 I HN 0.144 8.354 8.210 -0.000 0.000 0.409 302 A N 0.464 123.030 122.820 -0.422 0.000 1.933 302 A HA -0.229 4.082 4.320 -0.015 0.000 0.218 302 A C 1.932 179.428 177.584 -0.146 0.000 1.175 302 A CA 2.058 53.890 52.037 -0.341 0.000 0.628 302 A CB -0.583 18.208 19.000 -0.348 0.000 0.814 302 A HN 0.355 8.505 8.150 -0.000 0.000 0.444 303 D N -0.760 119.578 120.400 -0.102 0.000 2.117 303 D HA -0.155 4.476 4.640 -0.015 0.000 0.197 303 D C 1.909 178.222 176.300 0.021 0.000 0.987 303 D CA 1.523 55.509 54.000 -0.023 0.000 0.829 303 D CB -0.389 40.394 40.800 -0.029 0.000 0.961 303 D HN 0.530 8.900 8.370 -0.000 0.000 0.460 304 M N 0.540 120.133 119.600 -0.012 0.000 2.117 304 M HA -0.139 4.332 4.480 -0.015 0.000 0.262 304 M C 2.010 178.421 176.300 0.184 0.000 1.065 304 M CA 1.587 56.927 55.300 0.065 0.000 1.114 304 M CB 0.083 32.699 32.600 0.026 0.000 1.361 304 M HN 0.001 8.291 8.290 -0.000 0.000 0.408 305 A N -0.904 121.960 122.820 0.074 0.000 1.972 305 A HA -0.262 4.049 4.320 -0.015 0.000 0.219 305 A C 1.804 179.504 177.584 0.193 0.000 1.169 305 A CA 2.116 54.218 52.037 0.108 0.000 0.635 305 A CB -1.218 17.728 19.000 -0.089 0.000 0.810 305 A HN 0.731 8.881 8.150 -0.000 0.000 0.446 306 H N 0.549 119.628 119.070 0.014 0.000 2.387 306 H HA -0.088 4.459 4.556 -0.015 0.000 0.299 306 H C 1.609 176.920 175.328 -0.028 0.000 1.099 306 H CA 1.873 57.916 56.048 -0.008 0.000 1.315 306 H CB -0.393 29.353 29.762 -0.026 0.000 1.380 306 H HN 0.512 8.793 8.280 -0.000 0.000 0.513 307 I N -1.111 119.414 120.570 -0.075 0.000 2.567 307 I HA -0.222 3.939 4.170 -0.015 0.000 0.257 307 I C 0.969 176.808 176.117 -0.463 0.000 1.184 307 I CA 0.962 62.059 61.300 -0.339 0.000 1.451 307 I CB -0.283 37.444 38.000 -0.456 0.000 1.089 307 I HN 0.106 8.316 8.210 -0.000 0.000 0.441 308 F N 0.724 120.627 119.950 -0.078 0.000 2.641 308 F HA 0.214 4.732 4.527 -0.015 0.000 0.302 308 F C 0.583 176.347 175.800 -0.061 0.000 1.098 308 F CA -0.395 57.569 58.000 -0.060 0.000 1.318 308 F CB -0.413 38.564 39.000 -0.038 0.000 1.035 308 F HN -0.016 8.284 8.300 -0.000 0.000 0.551 309 E N 0.486 120.703 120.200 0.028 0.000 2.252 309 E HA -0.172 4.169 4.350 -0.015 0.000 0.218 309 E C -0.871 175.757 176.600 0.047 0.000 1.253 309 E CA -0.066 56.342 56.400 0.013 0.000 0.705 309 E CB -1.305 28.384 29.700 -0.018 0.000 1.172 309 E HN 0.087 8.447 8.360 -0.000 0.000 0.369 310 V N 0.809 120.766 119.914 0.071 0.000 2.555 310 V HA 0.458 4.569 4.120 -0.015 0.000 0.302 310 V C 0.781 176.874 176.094 -0.002 0.000 1.038 310 V CA 0.005 62.313 62.300 0.013 0.000 0.887 310 V CB 2.033 33.858 31.823 0.004 0.000 0.991 310 V HN 0.399 8.589 8.190 -0.000 0.000 0.434 311 T N 1.628 116.143 114.554 -0.066 0.000 2.937 311 T HA 0.829 5.170 4.350 -0.015 0.000 0.283 311 T C -0.659 173.958 174.700 -0.139 0.000 1.012 311 T CA -0.750 61.303 62.100 -0.077 0.000 0.997 311 T CB 1.898 70.718 68.868 -0.079 0.000 1.136 311 T HN 0.355 8.595 8.240 -0.000 0.000 0.551 312 V N 1.542 121.388 119.914 -0.112 0.000 2.638 312 V HA 0.570 4.681 4.120 -0.015 0.000 0.306 312 V C -0.710 175.367 176.094 -0.029 0.000 1.052 312 V CA -0.799 61.446 62.300 -0.091 0.000 0.885 312 V CB 1.617 33.406 31.823 -0.058 0.000 0.999 312 V HN 1.003 9.193 8.190 -0.000 0.000 0.424 313 Q N 3.457 123.262 119.800 0.009 0.000 2.347 313 Q HA 0.624 4.955 4.340 -0.015 0.000 0.265 313 Q C -0.288 175.846 176.000 0.222 0.000 1.024 313 Q CA -0.580 55.307 55.803 0.139 0.000 0.731 313 Q CB 1.903 30.736 28.738 0.158 0.000 1.245 313 Q HN 0.980 9.250 8.270 -0.000 0.000 0.472 314 A N 4.058 127.085 122.820 0.345 0.000 2.565 314 A HA -0.054 4.257 4.320 -0.015 0.000 0.237 314 A C -0.069 177.642 177.584 0.212 0.000 1.053 314 A CA 0.184 52.432 52.037 0.351 0.000 0.755 314 A CB -0.059 19.101 19.000 0.267 0.000 0.980 314 A HN 0.827 8.977 8.150 -0.000 0.000 0.506 315 H N 2.402 121.578 119.070 0.177 0.000 2.819 315 H HA 0.384 4.931 4.556 -0.015 0.000 0.303 315 H C -1.232 174.169 175.328 0.122 0.000 1.058 315 H CA 0.233 56.367 56.048 0.144 0.000 1.471 315 H CB 0.470 30.344 29.762 0.186 0.000 1.480 315 H HN 0.298 8.578 8.280 -0.000 0.000 0.517 316 V N 4.752 124.376 119.914 -0.485 0.000 2.409 316 V HA 0.466 4.577 4.120 -0.015 0.000 0.290 316 V C -0.047 175.903 176.094 -0.240 0.000 1.017 316 V CA -0.210 61.926 62.300 -0.272 0.000 0.841 316 V CB 1.048 32.778 31.823 -0.155 0.000 1.003 316 V HN 0.908 9.098 8.190 -0.000 0.000 0.426 317 A N 3.354 126.096 122.820 -0.130 0.000 3.426 317 A HA 0.794 5.105 4.320 -0.015 0.000 0.222 317 A C 0.221 177.833 177.584 0.046 0.000 1.090 317 A CA 0.340 52.377 52.037 0.000 0.000 1.026 317 A CB 0.287 19.274 19.000 -0.021 0.000 1.342 317 A HN 1.061 9.211 8.150 -0.000 0.000 0.695 318 G N -0.337 108.453 108.800 -0.016 0.000 3.198 318 G HA2 0.642 4.593 3.960 -0.015 0.000 0.166 318 G HA3 0.642 4.593 3.960 -0.015 0.000 0.166 318 G C 0.368 175.220 174.900 -0.079 0.000 1.134 318 G CA 0.548 45.663 45.100 0.024 0.000 0.941 318 G HN 0.983 9.273 8.290 -0.000 0.000 0.639 319 T N -1.757 112.878 114.554 0.134 0.000 2.770 319 T HA 0.452 4.793 4.350 -0.015 0.000 0.281 319 T C 1.847 176.613 174.700 0.111 0.000 0.981 319 T CA 0.941 63.149 62.100 0.180 0.000 0.955 319 T CB 0.908 69.910 68.868 0.222 0.000 1.060 319 T HN 1.138 9.378 8.240 -0.000 0.000 0.531 320 G N -0.289 108.597 108.800 0.144 0.000 2.479 320 G HA2 -0.118 3.833 3.960 -0.015 0.000 0.220 320 G HA3 -0.118 3.833 3.960 -0.015 0.000 0.220 320 G C 1.370 176.379 174.900 0.182 0.000 1.115 320 G CA 0.800 46.007 45.100 0.178 0.000 0.757 320 G HN 0.600 8.890 8.290 -0.000 0.000 0.560 321 V N 1.479 121.478 119.914 0.142 0.000 2.237 321 V HA -0.152 3.959 4.120 -0.015 0.000 0.245 321 V C 3.318 179.469 176.094 0.094 0.000 1.046 321 V CA 2.090 64.465 62.300 0.125 0.000 1.007 321 V CB -1.052 30.826 31.823 0.092 0.000 0.638 321 V HN 0.462 8.652 8.190 -0.000 0.000 0.445 322 A N -0.381 122.482 122.820 0.072 0.000 1.892 322 A HA -0.331 3.980 4.320 -0.015 0.000 0.218 322 A C 2.248 179.858 177.584 0.044 0.000 1.188 322 A CA 2.435 54.496 52.037 0.040 0.000 0.631 322 A CB -0.602 18.430 19.000 0.055 0.000 0.822 322 A HN 0.654 8.804 8.150 -0.000 0.000 0.447 323 E N -0.456 119.794 120.200 0.082 0.000 2.047 323 E HA -0.045 4.296 4.350 -0.015 0.000 0.191 323 E C 2.178 178.784 176.600 0.009 0.000 0.987 323 E CA 1.111 57.566 56.400 0.092 0.000 0.799 323 E CB -0.316 29.488 29.700 0.173 0.000 0.752 323 E HN 0.523 8.883 8.360 -0.000 0.000 0.449 324 A N 1.203 124.054 122.820 0.052 0.000 1.892 324 A HA -0.211 4.100 4.320 -0.015 0.000 0.218 324 A C 2.444 180.080 177.584 0.086 0.000 1.188 324 A CA 2.204 54.227 52.037 -0.024 0.000 0.631 324 A CB -1.121 17.946 19.000 0.112 0.000 0.822 324 A HN 0.431 8.581 8.150 -0.000 0.000 0.447 325 A N 0.245 123.146 122.820 0.135 0.000 1.908 325 A HA -0.139 4.173 4.320 -0.015 0.000 0.218 325 A C 2.541 180.185 177.584 0.101 0.000 1.181 325 A CA 2.634 54.791 52.037 0.201 0.000 0.627 325 A CB -1.119 17.849 19.000 -0.054 0.000 0.818 325 A HN 1.147 9.297 8.150 -0.000 0.000 0.445 326 S N 0.075 115.750 115.700 -0.041 0.000 2.382 326 S HA -0.125 4.336 4.470 -0.015 0.000 0.228 326 S C 1.881 176.425 174.600 -0.093 0.000 1.027 326 S CA 1.512 59.655 58.200 -0.094 0.000 0.991 326 S CB -0.771 62.438 63.200 0.015 0.000 0.823 326 S HN 0.464 8.774 8.310 -0.000 0.000 0.469 327 L N 0.836 121.952 121.223 -0.177 0.000 2.046 327 L HA -0.099 4.232 4.340 -0.015 0.000 0.208 327 L C 3.035 179.702 176.870 -0.338 0.000 1.077 327 L CA 1.587 56.196 54.840 -0.384 0.000 0.747 327 L CB -0.890 40.790 42.059 -0.631 0.000 0.896 327 L HN 0.435 8.665 8.230 -0.000 0.000 0.432 328 H N -0.153 118.839 119.070 -0.129 0.000 2.321 328 H HA -0.129 4.418 4.556 -0.015 0.000 0.300 328 H C 2.322 177.601 175.328 -0.081 0.000 1.087 328 H CA 1.543 57.554 56.048 -0.061 0.000 1.319 328 H CB -0.044 29.698 29.762 -0.033 0.000 1.379 328 H HN 0.384 8.664 8.280 -0.000 0.000 0.501 329 A N 1.257 124.120 122.820 0.072 0.000 1.902 329 A HA -0.184 4.127 4.320 -0.015 0.000 0.217 329 A C 2.298 179.840 177.584 -0.070 0.000 1.181 329 A CA 1.737 53.708 52.037 -0.110 0.000 0.623 329 A CB -0.344 18.266 19.000 -0.649 0.000 0.818 329 A HN 0.457 8.607 8.150 -0.000 0.000 0.443 330 E N -0.905 119.230 120.200 -0.109 0.000 2.112 330 E HA -0.033 4.309 4.350 -0.015 0.000 0.190 330 E C 1.857 178.287 176.600 -0.282 0.000 0.979 330 E CA 0.790 57.144 56.400 -0.077 0.000 0.814 330 E CB -0.157 29.463 29.700 -0.132 0.000 0.762 330 E HN 0.668 9.028 8.360 -0.000 0.000 0.460 331 I N 0.640 121.004 120.570 -0.343 0.000 2.614 331 I HA -0.164 3.997 4.170 -0.015 0.000 0.258 331 I C 1.899 177.897 176.117 -0.198 0.000 1.189 331 I CA 0.516 61.597 61.300 -0.366 0.000 1.462 331 I CB 0.145 37.859 38.000 -0.476 0.000 1.092 331 I HN 0.011 8.221 8.210 -0.000 0.000 0.442 332 A N 0.733 123.495 122.820 -0.096 0.000 2.251 332 A HA 0.222 4.533 4.320 -0.015 0.000 0.209 332 A C 0.939 178.520 177.584 -0.006 0.000 1.187 332 A CA -0.082 51.942 52.037 -0.021 0.000 0.823 332 A CB -0.639 18.366 19.000 0.007 0.000 0.846 332 A HN 0.507 8.657 8.150 -0.000 0.000 0.486 333 I N -4.511 116.063 120.570 0.006 0.000 2.493 333 I HA 0.479 4.640 4.170 -0.015 0.000 0.298 333 I C -2.066 174.039 176.117 -0.021 0.000 0.998 333 I CA -2.653 58.652 61.300 0.009 0.000 1.137 333 I CB 1.976 40.022 38.000 0.076 0.000 1.310 333 I HN -0.184 8.026 8.210 -0.000 0.000 0.445 334 P HA -0.115 4.305 4.420 -0.000 0.000 0.222 334 P C 0.153 177.394 177.300 -0.099 0.000 1.153 334 P CA 1.134 64.159 63.100 -0.126 0.000 0.798 334 P CB -0.145 31.406 31.700 -0.249 0.000 0.796 335 N N 0.046 118.653 118.700 -0.155 0.000 2.920 335 N HA 0.040 4.771 4.740 -0.015 0.000 0.310 335 N C -0.792 174.762 175.510 0.072 0.000 1.384 335 N CA -0.783 52.233 53.050 -0.058 0.000 1.083 335 N CB -1.009 37.425 38.487 -0.088 0.000 1.389 335 N HN 0.037 8.417 8.380 -0.000 0.000 0.521 336 F N 0.514 120.461 119.950 -0.006 0.000 2.396 336 F HA 0.333 4.851 4.527 -0.015 0.000 0.343 336 F C 1.242 177.090 175.800 0.079 0.000 1.104 336 F CA -1.001 57.028 58.000 0.047 0.000 1.161 336 F CB 1.333 40.368 39.000 0.057 0.000 1.146 336 F HN 0.197 8.497 8.300 -0.000 0.000 0.522 337 C N 6.469 125.327 119.300 -0.737 0.000 2.664 337 C HA 0.557 5.008 4.460 -0.015 0.000 0.285 337 C C 0.341 174.863 174.990 -0.780 0.000 1.386 337 C CA 0.003 58.711 59.018 -0.516 0.000 1.753 337 C CB -0.551 27.056 27.740 -0.222 0.000 2.115 337 C HN 0.810 9.040 8.230 -0.000 0.000 0.577 338 I N -1.016 119.000 120.570 -0.924 0.000 2.842 338 I HA 0.315 4.476 4.170 -0.015 0.000 0.296 338 I C -1.644 174.572 176.117 0.165 0.000 1.538 338 I CA -0.618 60.558 61.300 -0.206 0.000 0.994 338 I CB 1.692 39.864 38.000 0.287 0.000 1.372 338 I HN 0.529 8.739 8.210 -0.000 0.000 0.478 339 H N 4.519 123.829 119.070 0.400 0.000 2.457 339 H HA 0.384 4.931 4.556 -0.015 0.000 0.335 339 H C -0.853 174.444 175.328 -0.052 0.000 1.115 339 H CA -0.306 55.939 56.048 0.329 0.000 1.219 339 H CB 1.414 31.416 29.762 0.400 0.000 1.471 339 H HN 0.522 8.802 8.280 -0.000 0.000 0.491 340 E N 3.673 123.440 120.200 -0.723 0.000 2.223 340 E HA 0.094 4.435 4.350 -0.015 0.000 0.282 340 E C -1.192 175.139 176.600 -0.449 0.000 1.046 340 E CA -0.546 55.254 56.400 -1.001 0.000 0.857 340 E CB 0.343 29.663 29.700 -0.633 0.000 1.055 340 E HN 0.634 8.994 8.360 -0.000 0.000 0.409 341 H N 4.236 123.107 119.070 -0.331 0.000 2.609 341 H HA 0.292 4.839 4.556 -0.015 0.000 0.344 341 H C -1.031 174.408 175.328 0.186 0.000 1.040 341 H CA -0.565 55.557 56.048 0.122 0.000 1.216 341 H CB 0.673 30.663 29.762 0.380 0.000 1.529 341 H HN 0.590 8.870 8.280 -0.000 0.000 0.519 342 H N 2.004 120.862 119.070 -0.353 0.000 2.595 342 H HA 0.291 4.839 4.556 -0.013 0.000 0.346 342 H C 0.088 174.994 175.328 -0.703 0.000 1.181 342 H CA -0.931 54.921 56.048 -0.327 0.000 1.242 342 H CB 1.994 31.677 29.762 -0.133 0.000 1.652 342 H HN 0.581 8.861 8.280 -0.000 0.000 0.548 343 Q N 0.290 119.751 119.800 -0.564 0.000 2.408 343 Q HA -0.064 4.267 4.340 -0.015 0.000 0.205 343 Q C 2.024 177.818 176.000 -0.342 0.000 0.919 343 Q CA 0.087 55.564 55.803 -0.543 0.000 0.932 343 Q CB 0.271 28.485 28.738 -0.875 0.000 1.058 343 Q HN 0.665 8.935 8.270 -0.000 0.000 0.517 344 K N 0.895 121.104 120.400 -0.319 0.000 2.259 344 K HA -0.259 4.052 4.320 -0.015 0.000 0.206 344 K C 1.615 178.049 176.600 -0.276 0.000 1.044 344 K CA 1.996 58.114 56.287 -0.281 0.000 0.931 344 K CB -0.476 31.787 32.500 -0.395 0.000 0.726 344 K HN 0.188 8.438 8.250 -0.000 0.000 0.467 345 T N 0.021 114.397 114.554 -0.298 0.000 2.833 345 T HA -0.124 4.218 4.350 -0.015 0.000 0.269 345 T C 1.445 176.132 174.700 -0.022 0.000 1.054 345 T CA 1.238 63.228 62.100 -0.183 0.000 1.135 345 T CB -0.322 68.516 68.868 -0.049 0.000 0.869 345 T HN 0.421 8.661 8.240 -0.000 0.000 0.466 346 L N -0.714 120.490 121.223 -0.032 0.000 3.110 346 L HA 0.565 4.896 4.340 -0.015 0.000 0.266 346 L C -0.072 176.790 176.870 -0.013 0.000 1.257 346 L CA -0.912 53.931 54.840 0.004 0.000 1.038 346 L CB -0.745 41.321 42.059 0.011 0.000 1.395 346 L HN 0.058 8.288 8.230 -0.000 0.000 0.566 347 L N 0.805 122.024 121.223 -0.007 0.000 2.529 347 L HA 0.084 4.415 4.340 -0.015 0.000 0.287 347 L C -0.804 176.084 176.870 0.030 0.000 1.241 347 L CA -0.976 53.872 54.840 0.013 0.000 0.857 347 L CB -0.008 42.077 42.059 0.043 0.000 1.113 347 L HN 0.024 8.254 8.230 -0.000 0.000 0.504 348 P HA -0.203 4.217 4.420 -0.000 0.000 0.216 348 P C 1.235 178.529 177.300 -0.009 0.000 1.150 348 P CA 1.278 64.376 63.100 -0.003 0.000 0.837 348 P CB 0.057 31.749 31.700 -0.014 0.000 0.786 349 E N -1.762 118.425 120.200 -0.022 0.000 2.150 349 E HA -0.208 4.133 4.350 -0.015 0.000 0.193 349 E C 1.451 177.963 176.600 -0.146 0.000 0.985 349 E CA 1.145 57.491 56.400 -0.090 0.000 0.814 349 E CB -0.915 28.713 29.700 -0.120 0.000 0.752 349 E HN 0.304 8.664 8.360 -0.000 0.000 0.466 350 Y N 0.776 121.051 120.300 -0.042 0.000 2.441 350 Y HA 0.106 4.649 4.550 -0.011 0.000 0.288 350 Y C 2.353 178.237 175.900 -0.027 0.000 1.118 350 Y CA 0.654 58.731 58.100 -0.037 0.000 1.215 350 Y CB 0.503 38.932 38.460 -0.051 0.000 1.118 350 Y HN 0.016 8.296 8.280 -0.000 0.000 0.547 351 E N 0.956 121.234 120.200 0.130 0.000 2.204 351 E HA -0.236 4.105 4.350 -0.015 0.000 0.195 351 E C 1.719 178.334 176.600 0.025 0.000 0.990 351 E CA 1.257 57.698 56.400 0.068 0.000 0.821 351 E CB 0.047 29.771 29.700 0.041 0.000 0.750 351 E HN 0.668 9.028 8.360 -0.000 0.000 0.477 352 E N 0.257 120.459 120.200 0.004 0.000 2.418 352 E HA -0.147 4.194 4.350 -0.015 0.000 0.197 352 E C 1.785 178.363 176.600 -0.037 0.000 1.026 352 E CA 0.395 56.781 56.400 -0.023 0.000 0.862 352 E CB -0.071 29.608 29.700 -0.035 0.000 0.799 352 E HN 0.340 8.700 8.360 -0.000 0.000 0.518 353 L N 0.242 121.450 121.223 -0.025 0.000 2.209 353 L HA 0.136 4.467 4.340 -0.015 0.000 0.207 353 L C 0.868 177.712 176.870 -0.043 0.000 1.094 353 L CA -0.019 54.792 54.840 -0.047 0.000 0.790 353 L CB 0.151 42.194 42.059 -0.028 0.000 0.932 353 L HN 0.197 8.427 8.230 -0.000 0.000 0.447 354 C N -1.415 117.878 119.300 -0.012 0.000 2.614 354 C HA 0.318 4.769 4.460 -0.015 0.000 0.320 354 C C 1.863 176.810 174.990 -0.073 0.000 1.200 354 C CA -0.844 58.164 59.018 -0.016 0.000 1.700 354 C CB 2.272 30.042 27.740 0.050 0.000 2.275 354 C HN 0.034 8.264 8.230 -0.000 0.000 0.492 355 V N 1.109 120.928 119.914 -0.157 0.000 2.358 355 V HA -0.090 4.021 4.120 -0.015 0.000 0.246 355 V C 0.734 176.570 176.094 -0.431 0.000 1.047 355 V CA 1.619 63.713 62.300 -0.342 0.000 1.035 355 V CB -0.651 30.866 31.823 -0.511 0.000 0.658 355 V HN 0.745 8.935 8.190 -0.000 0.000 0.452 356 H N 0.266 119.298 119.070 -0.063 0.000 2.469 356 H HA 0.415 4.964 4.556 -0.011 0.000 0.342 356 H C -0.678 174.486 175.328 -0.273 0.000 1.115 356 H CA -0.712 55.192 56.048 -0.239 0.000 1.204 356 H CB 1.156 30.676 29.762 -0.404 0.000 1.492 356 H HN 0.091 8.371 8.280 -0.000 0.000 0.499 357 N N 3.290 121.889 118.700 -0.170 0.000 2.699 357 N HA 0.077 4.808 4.740 -0.015 0.000 0.232 357 N C -1.384 174.077 175.510 -0.082 0.000 1.027 357 N CA -0.406 52.603 53.050 -0.068 0.000 0.920 357 N CB -0.155 38.330 38.487 -0.002 0.000 1.148 357 N HN 0.336 8.716 8.380 -0.000 0.000 0.509 358 Y N 1.486 121.900 120.300 0.189 0.000 2.393 358 Y HA 0.326 4.868 4.550 -0.014 0.000 0.338 358 Y C 0.626 176.721 175.900 0.326 0.000 1.029 358 Y CA -0.032 58.203 58.100 0.226 0.000 1.239 358 Y CB 0.787 39.355 38.460 0.179 0.000 1.170 358 Y HN 0.235 8.515 8.280 -0.000 0.000 0.515 359 Q N 4.581 124.565 119.800 0.306 0.000 2.397 359 Q HA 0.451 4.782 4.340 -0.015 0.000 0.275 359 Q C -2.646 173.089 176.000 -0.440 0.000 1.090 359 Q CA -2.294 53.486 55.803 -0.039 0.000 0.809 359 Q CB 2.317 31.067 28.738 0.020 0.000 1.362 359 Q HN 0.374 8.644 8.270 -0.000 0.000 0.431 360 P HA 0.270 4.690 4.420 -0.000 0.000 0.274 360 P C -0.735 176.316 177.300 -0.414 0.000 1.246 360 P CA -0.403 62.169 63.100 -0.879 0.000 0.795 360 P CB 0.671 31.818 31.700 -0.921 0.000 1.006 361 V N 2.567 122.284 119.914 -0.330 0.000 2.525 361 V HA 0.216 4.327 4.120 -0.015 0.000 0.299 361 V C 0.070 176.015 176.094 -0.248 0.000 1.034 361 V CA -0.831 61.334 62.300 -0.225 0.000 0.863 361 V CB 1.350 33.091 31.823 -0.137 0.000 0.999 361 V HN 0.558 8.748 8.190 -0.000 0.000 0.423 362 K N 3.638 123.881 120.400 -0.262 0.000 3.156 362 K HA -0.243 4.068 4.320 -0.015 0.000 0.266 362 K C 1.068 177.471 176.600 -0.329 0.000 0.966 362 K CA 0.918 57.050 56.287 -0.258 0.000 0.719 362 K CB -1.597 30.814 32.500 -0.149 0.000 1.333 362 K HN 1.786 10.036 8.250 -0.000 0.000 0.468 363 G N 0.079 108.530 108.800 -0.581 0.000 2.153 363 G HA2 -0.330 3.621 3.960 -0.015 0.000 0.252 363 G HA3 -0.330 3.621 3.960 -0.015 0.000 0.252 363 G C -0.161 174.597 174.900 -0.237 0.000 0.994 363 G CA 0.625 45.411 45.100 -0.523 0.000 0.698 363 G HN 0.329 8.619 8.290 -0.000 0.000 0.521 364 R N -0.806 119.549 120.500 -0.242 0.000 2.621 364 R HA 0.591 4.922 4.340 -0.015 0.000 0.292 364 R C -1.106 175.098 176.300 -0.161 0.000 0.969 364 R CA -0.928 55.096 56.100 -0.126 0.000 0.887 364 R CB 1.202 31.448 30.300 -0.090 0.000 1.180 364 R HN 0.249 8.519 8.270 -0.000 0.000 0.450 365 Y N 1.201 121.417 120.300 -0.139 0.000 2.360 365 Y HA 0.323 4.863 4.550 -0.016 0.000 0.337 365 Y C 0.371 176.143 175.900 -0.214 0.000 1.039 365 Y CA -0.788 57.191 58.100 -0.201 0.000 1.109 365 Y CB 1.789 40.060 38.460 -0.316 0.000 1.201 365 Y HN 0.066 8.346 8.280 -0.000 0.000 0.458 366 K N 3.139 123.580 120.400 0.068 0.000 2.130 366 K HA 0.248 4.559 4.320 -0.015 0.000 0.268 366 K C -0.736 175.724 176.600 -0.234 0.000 0.983 366 K CA -0.618 55.614 56.287 -0.092 0.000 0.893 366 K CB 2.312 34.778 32.500 -0.057 0.000 1.066 366 K HN 0.467 8.717 8.250 -0.000 0.000 0.450 367 V N 4.360 124.043 119.914 -0.385 0.000 2.740 367 V HA 0.062 4.174 4.120 -0.015 0.000 0.303 367 V C -2.138 173.684 176.094 -0.452 0.000 1.054 367 V CA -1.489 60.473 62.300 -0.563 0.000 1.106 367 V CB 0.665 32.052 31.823 -0.726 0.000 0.957 367 V HN 0.559 8.749 8.190 -0.000 0.000 0.486 368 P HA 0.117 4.537 4.420 -0.000 0.000 0.264 368 P C -0.611 176.656 177.300 -0.056 0.000 1.193 368 P CA 0.256 63.134 63.100 -0.370 0.000 0.763 368 P CB 0.268 31.647 31.700 -0.536 0.000 0.810 369 E N 3.342 123.562 120.200 0.033 0.000 2.663 369 E HA 0.242 4.584 4.350 -0.015 0.000 0.240 369 E C -0.158 176.490 176.600 0.081 0.000 1.227 369 E CA -0.055 56.408 56.400 0.105 0.000 1.528 369 E CB 0.075 29.823 29.700 0.080 0.000 1.472 369 E HN 0.425 8.785 8.360 -0.000 0.000 0.433 370 L N 0.392 121.667 121.223 0.088 0.000 2.301 370 L HA 0.498 4.829 4.340 -0.015 0.000 0.264 370 L C -2.406 174.490 176.870 0.043 0.000 1.016 370 L CA -2.598 52.275 54.840 0.055 0.000 0.821 370 L CB 1.809 43.897 42.059 0.048 0.000 1.346 370 L HN -0.110 8.120 8.230 -0.000 0.000 0.429 371 P HA 0.172 4.592 4.420 -0.000 0.000 0.266 371 P C 0.254 177.540 177.300 -0.023 0.000 1.195 371 P CA 0.719 63.810 63.100 -0.015 0.000 0.768 371 P CB 0.604 32.297 31.700 -0.011 0.000 0.838 372 G N 2.803 111.559 108.800 -0.072 0.000 2.525 372 G HA2 -0.291 3.661 3.960 -0.015 0.000 0.248 372 G HA3 -0.291 3.661 3.960 -0.015 0.000 0.248 372 G C 0.800 175.585 174.900 -0.192 0.000 1.238 372 G CA 0.097 45.141 45.100 -0.093 0.000 0.926 372 G HN 0.601 8.891 8.290 -0.000 0.000 0.574 373 I N -0.864 119.639 120.570 -0.111 0.000 3.111 373 I HA 0.448 4.609 4.170 -0.015 0.000 0.272 373 I C 1.761 177.973 176.117 0.158 0.000 1.268 373 I CA 1.169 62.397 61.300 -0.120 0.000 1.467 373 I CB -0.317 37.735 38.000 0.086 0.000 1.087 373 I HN 2.423 10.633 8.210 -0.000 0.000 0.467 374 G N 1.416 110.306 108.800 0.150 0.000 2.182 374 G HA2 -0.267 3.684 3.960 -0.015 0.000 0.248 374 G HA3 -0.267 3.684 3.960 -0.015 0.000 0.248 374 G C -0.224 174.906 174.900 0.383 0.000 1.042 374 G CA 0.479 45.706 45.100 0.212 0.000 0.775 374 G HN 0.650 8.940 8.290 -0.000 0.000 0.501 375 Q N -0.470 119.547 119.800 0.363 0.000 2.416 375 Q HA 0.722 5.053 4.340 -0.015 0.000 0.281 375 Q C -1.458 174.721 176.000 0.298 0.000 1.067 375 Q CA -0.729 55.331 55.803 0.428 0.000 0.809 375 Q CB 2.181 31.124 28.738 0.341 0.000 1.418 375 Q HN 0.189 8.459 8.270 -0.000 0.000 0.411 376 D N 0.618 121.145 120.400 0.212 0.000 2.583 376 D HA 0.453 5.084 4.640 -0.015 0.000 0.248 376 D C -0.911 175.421 176.300 0.053 0.000 1.209 376 D CA -0.530 53.565 54.000 0.158 0.000 0.848 376 D CB 1.474 42.381 40.800 0.177 0.000 1.431 376 D HN 0.647 9.017 8.370 -0.000 0.000 0.436 377 I N -1.160 119.422 120.570 0.019 0.000 2.677 377 I HA 0.547 4.708 4.170 -0.015 0.000 0.305 377 I C 0.833 176.914 176.117 -0.060 0.000 0.988 377 I CA -0.589 60.664 61.300 -0.078 0.000 1.260 377 I CB 1.291 39.151 38.000 -0.234 0.000 1.410 377 I HN 0.262 8.472 8.210 -0.000 0.000 0.523 378 T N -0.173 114.335 114.554 -0.077 0.000 2.816 378 T HA 0.240 4.581 4.350 -0.015 0.000 0.282 378 T C 0.737 175.434 174.700 -0.006 0.000 0.993 378 T CA -0.423 61.649 62.100 -0.046 0.000 0.994 378 T CB 1.354 70.191 68.868 -0.052 0.000 1.025 378 T HN 0.760 9.000 8.240 -0.000 0.000 0.529 379 E N -0.101 120.100 120.200 0.001 0.000 2.153 379 E HA -0.152 4.189 4.350 -0.015 0.000 0.194 379 E C 2.081 178.711 176.600 0.050 0.000 0.988 379 E CA 0.727 57.133 56.400 0.010 0.000 0.811 379 E CB -0.070 29.599 29.700 -0.051 0.000 0.746 379 E HN 0.695 9.055 8.360 -0.000 0.000 0.466 380 K N 0.839 121.246 120.400 0.010 0.000 2.160 380 K HA -0.219 4.092 4.320 -0.015 0.000 0.206 380 K C 2.119 178.730 176.600 0.018 0.000 1.047 380 K CA 0.782 57.071 56.287 0.002 0.000 0.930 380 K CB -0.071 32.413 32.500 -0.027 0.000 0.720 380 K HN 0.044 8.294 8.250 -0.000 0.000 0.450 381 L N 0.661 121.880 121.223 -0.006 0.000 2.012 381 L HA -0.213 4.118 4.340 -0.015 0.000 0.210 381 L C 1.818 178.679 176.870 -0.014 0.000 1.073 381 L CA 1.712 56.471 54.840 -0.135 0.000 0.748 381 L CB -0.602 41.180 42.059 -0.461 0.000 0.891 381 L HN 0.214 8.444 8.230 -0.000 0.000 0.431 382 Y N -0.217 120.086 120.300 0.006 0.000 2.181 382 Y HA -0.341 4.200 4.550 -0.015 0.000 0.284 382 Y C 2.596 178.464 175.900 -0.054 0.000 1.179 382 Y CA 1.952 60.075 58.100 0.038 0.000 1.179 382 Y CB -0.730 37.662 38.460 -0.113 0.000 0.973 382 Y HN 0.399 8.679 8.280 -0.000 0.000 0.519 383 Q N -0.467 119.389 119.800 0.094 0.000 2.354 383 Q HA 0.102 4.434 4.340 -0.015 0.000 0.203 383 Q C 1.181 177.170 176.000 -0.017 0.000 0.933 383 Q CA 0.984 56.806 55.803 0.032 0.000 0.901 383 Q CB 0.100 28.853 28.738 0.025 0.000 1.007 383 Q HN 0.704 8.974 8.270 -0.000 0.000 0.495 384 I N -2.984 117.522 120.570 -0.106 0.000 3.736 384 I HA 0.385 4.547 4.170 -0.015 0.000 0.338 384 I C -0.507 175.173 176.117 -0.729 0.000 1.558 384 I CA -0.462 60.685 61.300 -0.254 0.000 1.147 384 I CB 0.802 38.740 38.000 -0.103 0.000 1.275 384 I HN -0.225 7.985 8.210 -0.000 0.000 0.454 385 S N 0.266 115.535 115.700 -0.719 0.000 2.546 385 S HA 0.376 4.838 4.470 -0.015 0.000 0.274 385 S C -0.977 173.480 174.600 -0.238 0.000 1.121 385 S CA -0.700 57.190 58.200 -0.515 0.000 0.887 385 S CB 1.846 65.059 63.200 0.022 0.000 1.094 385 S HN 0.182 8.492 8.310 -0.000 0.000 0.474 386 D N 2.242 122.650 120.400 0.012 0.000 2.382 386 D HA 0.156 4.788 4.640 -0.015 0.000 0.259 386 D C -0.821 175.538 176.300 0.098 0.000 1.224 386 D CA 0.555 54.641 54.000 0.144 0.000 0.894 386 D CB 0.096 40.986 40.800 0.151 0.000 1.127 386 D HN 0.464 8.834 8.370 -0.000 0.000 0.487 387 Y N 2.407 122.667 120.300 -0.068 0.000 2.335 387 Y HA 0.445 4.994 4.550 -0.002 0.000 0.338 387 Y C -1.201 174.598 175.900 -0.169 0.000 0.977 387 Y CA -0.701 57.276 58.100 -0.206 0.000 1.114 387 Y CB 1.081 39.441 38.460 -0.166 0.000 1.182 387 Y HN 0.103 8.383 8.280 -0.000 0.000 0.463 388 V N 5.273 124.734 119.914 -0.755 0.000 2.588 388 V HA 0.523 4.634 4.120 -0.015 0.000 0.304 388 V C -0.786 174.804 176.094 -0.840 0.000 1.042 388 V CA -0.726 61.217 62.300 -0.596 0.000 0.877 388 V CB 1.793 33.433 31.823 -0.305 0.000 0.996 388 V HN 0.775 8.965 8.190 -0.000 0.000 0.425 389 S N 4.843 120.192 115.700 -0.586 0.000 2.500 389 S HA 0.853 5.314 4.470 -0.015 0.000 0.301 389 S C -1.172 173.335 174.600 -0.156 0.000 1.092 389 S CA -0.412 57.556 58.200 -0.387 0.000 1.030 389 S CB 1.143 64.191 63.200 -0.252 0.000 1.031 389 S HN 0.491 8.801 8.310 -0.000 0.000 0.483 390 I N 3.657 124.177 120.570 -0.084 0.000 2.466 390 I HA 0.537 4.699 4.170 -0.015 0.000 0.289 390 I C 0.120 176.244 176.117 0.011 0.000 1.026 390 I CA -0.125 61.161 61.300 -0.024 0.000 1.078 390 I CB 2.024 40.023 38.000 -0.002 0.000 1.249 390 I HN 0.728 8.938 8.210 -0.000 0.000 0.429 391 E N 2.909 123.119 120.200 0.017 0.000 2.458 391 E HA 0.869 5.210 4.350 -0.015 0.000 0.250 391 E C -0.882 175.733 176.600 0.025 0.000 0.883 391 E CA -1.218 55.201 56.400 0.030 0.000 0.868 391 E CB 1.801 31.522 29.700 0.036 0.000 1.593 391 E HN 0.558 8.918 8.360 -0.000 0.000 0.410 392 A N 0.000 122.836 122.820 0.027 0.000 2.254 392 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 392 A CA 0.000 52.051 52.037 0.024 0.000 0.836 392 A CB 0.000 19.018 19.000 0.030 0.000 0.831 392 A HN 0.000 8.150 8.150 -0.000 0.000 0.486