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 3l2n_1_B DATA FIRST_RESID 2 DATA SEQUENCE RISANFDGGN IETISLANPD DIQLAIRPDA GGEFYQWFNF RFEATIGKTY DATA SEQUENCE TLNILNAGGA SYLKGWEDYQ AVASYDRQTW FRLPTEYKDG KLSISVELDC DATA SEQUENCE EAIQIAYFTP YSYERHLDLI SAVQLHPLVS TEHLGLTLDG RDXTLVKVGD DATA SEQUENCE DDPSKKSIWI TARQHPGETX AEWLVEGLLN QLLDNDCPTS KALLDKANFY DATA SEQUENCE IVPNXNPDGS VRGHLRTNAV GANLNREWQT PSLERSPEVY YVVNKXHETG DATA SEQUENCE VDLFYDVHGD EGLPYVFLAG CEGIPNYSDK LASLQQDFVA ALSLASADFQ DATA SEQUENCE TEFGYDKDEP GKANLTVACN WVANTFKCLS NTLEXPFKDN ANLADPFQGW DATA SEQUENCE SPERSVYFGE ASLIAXRAVI DKIGQ 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 2 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 2 R C 0.000 176.454 176.300 0.256 0.000 0.893 2 R CA 0.000 56.178 56.100 0.130 0.000 0.921 2 R CB 0.000 30.343 30.300 0.071 0.000 0.687 3 I N 0.727 121.415 120.570 0.196 0.000 2.582 3 I HA 0.531 4.702 4.170 0.002 0.000 0.292 3 I C -0.242 175.982 176.117 0.179 0.000 1.066 3 I CA -0.449 60.986 61.300 0.225 0.000 1.053 3 I CB 2.144 40.173 38.000 0.049 0.000 1.241 3 I HN 0.587 8.797 8.210 -0.000 0.000 0.421 4 S N 3.548 119.408 115.700 0.267 0.000 2.541 4 S HA 0.821 5.292 4.470 0.002 0.000 0.271 4 S C -0.339 174.380 174.600 0.198 0.000 1.133 4 S CA 0.098 58.419 58.200 0.202 0.000 0.876 4 S CB 1.970 65.300 63.200 0.217 0.000 1.105 4 S HN 0.749 9.059 8.310 -0.000 0.000 0.470 5 A N 3.051 125.827 122.820 -0.074 0.000 2.671 5 A HA 0.388 4.709 4.320 0.002 0.000 0.265 5 A C -0.312 176.829 177.584 -0.739 0.000 1.148 5 A CA -0.293 51.468 52.037 -0.459 0.000 0.977 5 A CB -0.028 18.900 19.000 -0.120 0.000 1.242 5 A HN 0.620 8.770 8.150 -0.000 0.000 0.591 6 N N 1.851 120.315 118.700 -0.393 0.000 2.739 6 N HA 0.520 5.261 4.740 0.002 0.000 0.266 6 N C -0.976 174.491 175.510 -0.072 0.000 1.168 6 N CA 0.419 53.353 53.050 -0.193 0.000 1.055 6 N CB -0.530 37.945 38.487 -0.019 0.000 1.393 6 N HN 0.489 8.869 8.380 -0.000 0.000 0.514 7 F N -2.373 117.656 119.950 0.132 0.000 2.807 7 F HA 0.287 4.815 4.527 0.001 0.000 0.316 7 F C -0.354 175.531 175.800 0.141 0.000 1.162 7 F CA -1.665 56.413 58.000 0.130 0.000 0.910 7 F CB 0.498 39.584 39.000 0.144 0.000 1.314 7 F HN -0.127 8.173 8.300 -0.000 0.000 0.454 8 D N 1.167 121.830 120.400 0.437 0.000 2.662 8 D HA 0.307 4.949 4.640 0.002 0.000 0.233 8 D C 1.355 177.914 176.300 0.432 0.000 1.129 8 D CA 2.655 56.848 54.000 0.321 0.000 0.851 8 D CB 0.675 41.630 40.800 0.258 0.000 1.152 8 D HN 1.329 9.699 8.370 -0.000 0.000 0.507 9 G N 2.693 111.671 108.800 0.297 0.000 2.184 9 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 9 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 9 G C 0.729 175.962 174.900 0.556 0.000 0.975 9 G CA 0.386 45.697 45.100 0.351 0.000 0.642 9 G HN 0.881 9.171 8.290 -0.000 0.000 0.536 10 G N -0.424 108.593 108.800 0.361 0.000 2.491 10 G HA2 0.419 4.380 3.960 0.002 0.000 0.242 10 G HA3 0.419 4.380 3.960 0.002 0.000 0.242 10 G C -0.093 174.948 174.900 0.235 0.000 1.266 10 G CA 0.544 45.713 45.100 0.115 0.000 0.844 10 G HN 0.839 9.129 8.290 -0.000 0.000 0.571 11 N N 0.345 119.216 118.700 0.285 0.000 2.875 11 N HA 0.325 5.066 4.740 0.002 0.000 0.253 11 N C -1.889 173.769 175.510 0.247 0.000 1.296 11 N CA -0.522 52.696 53.050 0.280 0.000 0.816 11 N CB 1.035 39.790 38.487 0.447 0.000 1.504 11 N HN 0.370 8.750 8.380 -0.000 0.000 0.582 12 I N 0.992 121.628 120.570 0.111 0.000 2.828 12 I HA 0.391 4.562 4.170 0.002 0.000 0.295 12 I C -1.413 174.660 176.117 -0.074 0.000 1.459 12 I CA -0.339 60.957 61.300 -0.007 0.000 1.015 12 I CB 2.034 39.947 38.000 -0.145 0.000 1.345 12 I HN 0.203 8.413 8.210 -0.000 0.000 0.449 13 E N 3.591 123.716 120.200 -0.125 0.000 2.183 13 E HA 0.467 4.818 4.350 0.002 0.000 0.271 13 E C -1.048 175.457 176.600 -0.159 0.000 0.919 13 E CA -0.620 55.711 56.400 -0.116 0.000 0.781 13 E CB 1.826 31.464 29.700 -0.103 0.000 1.140 13 E HN 0.477 8.837 8.360 -0.000 0.000 0.402 14 T N 4.054 118.531 114.554 -0.128 0.000 2.727 14 T HA 0.213 4.564 4.350 0.002 0.000 0.298 14 T C 1.412 176.052 174.700 -0.101 0.000 0.942 14 T CA -0.386 61.635 62.100 -0.130 0.000 0.997 14 T CB 0.254 69.069 68.868 -0.089 0.000 0.917 14 T HN 0.264 8.504 8.240 -0.000 0.000 0.487 15 I N 1.674 122.177 120.570 -0.112 0.000 2.556 15 I HA 0.155 4.326 4.170 0.002 0.000 0.251 15 I C 1.237 177.314 176.117 -0.067 0.000 1.105 15 I CA 0.669 61.918 61.300 -0.085 0.000 1.436 15 I CB -0.308 37.637 38.000 -0.092 0.000 1.139 15 I HN 0.490 8.700 8.210 -0.000 0.000 0.438 16 S N -0.101 115.555 115.700 -0.073 0.000 2.562 16 S HA 0.507 4.978 4.470 0.002 0.000 0.274 16 S C -0.433 174.143 174.600 -0.041 0.000 1.160 16 S CA -0.526 57.645 58.200 -0.047 0.000 0.933 16 S CB 1.199 64.375 63.200 -0.039 0.000 1.100 16 S HN 0.139 8.449 8.310 -0.000 0.000 0.468 17 L N 3.748 124.963 121.223 -0.013 0.000 2.910 17 L HA 0.398 4.739 4.340 0.002 0.000 0.252 17 L C 1.893 178.787 176.870 0.039 0.000 1.195 17 L CA 0.189 55.040 54.840 0.018 0.000 1.003 17 L CB 0.016 42.095 42.059 0.034 0.000 1.328 17 L HN 0.824 9.054 8.230 -0.000 0.000 0.540 18 A N 0.158 122.992 122.820 0.024 0.000 1.872 18 A HA -0.101 4.220 4.320 0.002 0.000 0.214 18 A C 1.111 178.723 177.584 0.046 0.000 1.187 18 A CA 1.145 53.200 52.037 0.030 0.000 0.614 18 A CB -0.185 18.823 19.000 0.014 0.000 0.826 18 A HN 0.405 8.555 8.150 -0.000 0.000 0.442 19 N N -0.372 118.352 118.700 0.041 0.000 2.444 19 N HA 0.306 5.047 4.740 0.002 0.000 0.262 19 N C -2.152 173.409 175.510 0.085 0.000 0.974 19 N CA -2.526 50.554 53.050 0.049 0.000 0.933 19 N CB 1.774 40.275 38.487 0.023 0.000 1.137 19 N HN -0.080 8.300 8.380 -0.000 0.000 0.498 20 P HA -0.080 4.340 4.420 -0.000 0.000 0.218 20 P C -0.103 177.282 177.300 0.141 0.000 1.148 20 P CA 1.161 64.398 63.100 0.228 0.000 0.822 20 P CB 0.439 32.239 31.700 0.167 0.000 0.784 21 D N -0.718 119.713 120.400 0.052 0.000 2.349 21 D HA -0.003 4.638 4.640 0.002 0.000 0.224 21 D C 0.157 176.465 176.300 0.014 0.000 1.029 21 D CA 0.876 54.888 54.000 0.020 0.000 0.879 21 D CB -0.135 40.663 40.800 -0.002 0.000 0.906 21 D HN 0.225 8.595 8.370 -0.000 0.000 0.528 22 D N 0.605 121.014 120.400 0.016 0.000 3.250 22 D HA 0.038 4.679 4.640 0.002 0.000 0.252 22 D C -0.758 175.525 176.300 -0.028 0.000 1.342 22 D CA -0.358 53.633 54.000 -0.015 0.000 0.807 22 D CB 0.056 40.844 40.800 -0.019 0.000 1.449 22 D HN -0.196 8.174 8.370 -0.000 0.000 0.610 23 I N 1.912 122.456 120.570 -0.044 0.000 2.452 23 I HA 0.146 4.317 4.170 0.002 0.000 0.287 23 I C 0.613 176.649 176.117 -0.133 0.000 1.079 23 I CA 0.174 61.420 61.300 -0.089 0.000 1.387 23 I CB 0.792 38.692 38.000 -0.166 0.000 1.404 23 I HN 0.261 8.471 8.210 -0.000 0.000 0.522 24 Q N 6.834 126.560 119.800 -0.124 0.000 2.290 24 Q HA 0.702 5.043 4.340 0.002 0.000 0.259 24 Q C -0.950 174.942 176.000 -0.181 0.000 0.941 24 Q CA -0.465 55.255 55.803 -0.138 0.000 0.912 24 Q CB 2.516 31.195 28.738 -0.098 0.000 1.244 24 Q HN 0.516 8.786 8.270 -0.000 0.000 0.441 25 L N 0.812 121.902 121.223 -0.222 0.000 2.359 25 L HA 0.955 5.296 4.340 0.002 0.000 0.256 25 L C -1.032 175.699 176.870 -0.232 0.000 1.026 25 L CA -1.129 53.544 54.840 -0.278 0.000 0.828 25 L CB 2.147 43.939 42.059 -0.444 0.000 1.406 25 L HN 0.645 8.875 8.230 -0.000 0.000 0.413 26 A N 1.264 123.953 122.820 -0.219 0.000 2.486 26 A HA 0.774 5.095 4.320 0.002 0.000 0.300 26 A C -1.095 176.385 177.584 -0.172 0.000 1.048 26 A CA -0.467 51.462 52.037 -0.180 0.000 0.696 26 A CB 1.311 20.219 19.000 -0.154 0.000 1.278 26 A HN 0.574 8.724 8.150 -0.000 0.000 0.405 27 I N 1.573 122.041 120.570 -0.170 0.000 2.519 27 I HA 0.312 4.483 4.170 0.002 0.000 0.287 27 I C 0.934 176.877 176.117 -0.291 0.000 1.047 27 I CA -0.268 60.955 61.300 -0.129 0.000 1.381 27 I CB 0.985 38.997 38.000 0.020 0.000 1.417 27 I HN 0.707 8.917 8.210 -0.000 0.000 0.540 28 R N 7.039 127.456 120.500 -0.137 0.000 2.254 28 R HA 0.396 4.738 4.340 0.002 0.000 0.318 28 R C -2.531 173.692 176.300 -0.128 0.000 1.031 28 R CA -1.490 54.532 56.100 -0.131 0.000 0.905 28 R CB 0.985 31.278 30.300 -0.012 0.000 1.050 28 R HN 0.251 8.521 8.270 -0.000 0.000 0.456 29 P HA 0.062 4.482 4.420 -0.000 0.000 0.272 29 P C -1.021 176.295 177.300 0.026 0.000 1.223 29 P CA -0.257 62.819 63.100 -0.039 0.000 0.784 29 P CB 0.555 32.243 31.700 -0.019 0.000 0.923 30 D N 0.032 120.451 120.400 0.032 0.000 2.390 30 D HA 0.181 4.822 4.640 0.002 0.000 0.236 30 D C 0.466 176.606 176.300 -0.266 0.000 1.189 30 D CA 0.373 54.185 54.000 -0.314 0.000 0.887 30 D CB 0.042 40.671 40.800 -0.286 0.000 1.198 30 D HN 0.339 8.709 8.370 -0.000 0.000 0.444 31 A N 0.441 123.015 122.820 -0.410 0.000 2.531 31 A HA 0.447 4.768 4.320 0.002 0.000 0.236 31 A C 1.510 179.053 177.584 -0.069 0.000 1.062 31 A CA 0.569 52.553 52.037 -0.088 0.000 0.760 31 A CB -0.303 18.744 19.000 0.078 0.000 0.995 31 A HN 0.931 9.081 8.150 -0.000 0.000 0.501 32 G N 0.681 109.463 108.800 -0.029 0.000 2.195 32 G HA2 0.114 4.075 3.960 0.002 0.000 0.246 32 G HA3 0.114 4.075 3.960 0.002 0.000 0.246 32 G C 1.782 176.647 174.900 -0.058 0.000 0.984 32 G CA 0.975 46.056 45.100 -0.031 0.000 0.633 32 G HN 2.756 11.046 8.290 -0.000 0.000 0.525 33 G N -1.096 107.672 108.800 -0.054 0.000 2.196 33 G HA2 -0.257 3.704 3.960 0.002 0.000 0.268 33 G HA3 -0.257 3.704 3.960 0.002 0.000 0.268 33 G C 0.855 175.693 174.900 -0.103 0.000 0.975 33 G CA 1.649 46.718 45.100 -0.051 0.000 0.648 33 G HN 1.497 9.787 8.290 -0.000 0.000 0.538 34 E N -1.418 118.647 120.200 -0.225 0.000 2.385 34 E HA 0.418 4.769 4.350 0.002 0.000 0.194 34 E C 0.404 176.507 176.600 -0.829 0.000 1.013 34 E CA 0.969 57.036 56.400 -0.555 0.000 0.866 34 E CB 0.076 29.314 29.700 -0.771 0.000 0.832 34 E HN 0.628 8.988 8.360 -0.000 0.000 0.500 35 F N -0.630 119.299 119.950 -0.036 0.000 2.613 35 F HA 0.621 5.149 4.527 0.002 0.000 0.310 35 F C -0.509 175.346 175.800 0.092 0.000 1.085 35 F CA -1.803 56.152 58.000 -0.075 0.000 0.945 35 F CB 1.817 40.760 39.000 -0.095 0.000 1.298 35 F HN 0.095 8.395 8.300 -0.000 0.000 0.455 36 Y N -0.021 120.363 120.300 0.141 0.000 2.687 36 Y HA 0.612 5.163 4.550 0.002 0.000 0.338 36 Y C -0.508 175.431 175.900 0.065 0.000 1.189 36 Y CA -1.006 57.165 58.100 0.119 0.000 1.097 36 Y CB 1.574 40.102 38.460 0.112 0.000 1.342 36 Y HN 0.640 8.920 8.280 -0.000 0.000 0.461 37 Q N 0.762 120.728 119.800 0.275 0.000 2.015 37 Q HA 0.038 4.379 4.340 0.002 0.000 0.167 37 Q C -0.847 175.172 176.000 0.031 0.000 0.695 37 Q CA -0.131 55.681 55.803 0.015 0.000 0.805 37 Q CB 0.237 28.719 28.738 -0.428 0.000 1.201 37 Q HN 0.763 9.033 8.270 -0.000 0.000 0.370 38 W N 3.336 124.639 121.300 0.005 0.000 2.257 38 W HA 0.292 4.953 4.660 0.002 0.000 0.337 38 W C -1.056 175.631 176.519 0.279 0.000 1.321 38 W CA 0.923 58.347 57.345 0.132 0.000 1.267 38 W CB 0.048 29.647 29.460 0.231 0.000 1.187 38 W HN 0.185 8.365 8.180 -0.000 0.000 0.565 39 F N 3.642 123.322 119.950 -0.451 0.000 2.613 39 F HA 0.527 5.055 4.527 0.002 0.000 0.310 39 F C -1.269 174.194 175.800 -0.562 0.000 1.085 39 F CA -1.528 56.318 58.000 -0.256 0.000 0.945 39 F CB 1.334 40.376 39.000 0.070 0.000 1.298 39 F HN 0.271 8.571 8.300 -0.000 0.000 0.455 40 N N 2.184 120.964 118.700 0.133 0.000 2.752 40 N HA 0.447 5.188 4.740 0.002 0.000 0.268 40 N C -1.919 173.897 175.510 0.510 0.000 1.190 40 N CA -0.635 52.526 53.050 0.186 0.000 0.897 40 N CB 1.315 40.022 38.487 0.367 0.000 1.515 40 N HN 0.815 9.195 8.380 -0.000 0.000 0.567 41 F N 0.166 120.356 119.950 0.400 0.000 2.685 41 F HA 0.704 5.232 4.527 0.002 0.000 0.315 41 F C -0.792 175.267 175.800 0.432 0.000 1.126 41 F CA -1.044 57.202 58.000 0.411 0.000 0.950 41 F CB 1.299 40.425 39.000 0.210 0.000 1.360 41 F HN 0.090 8.390 8.300 -0.000 0.000 0.469 42 R N 1.063 121.928 120.500 0.609 0.000 2.637 42 R HA 0.643 4.984 4.340 0.002 0.000 0.291 42 R C -2.084 174.525 176.300 0.516 0.000 0.963 42 R CA -0.830 55.510 56.100 0.401 0.000 0.901 42 R CB 2.341 32.853 30.300 0.354 0.000 1.160 42 R HN 0.691 8.961 8.270 -0.000 0.000 0.457 43 F N 1.886 121.948 119.950 0.186 0.000 2.539 43 F HA 0.388 4.916 4.527 0.002 0.000 0.318 43 F C -1.073 174.758 175.800 0.052 0.000 1.135 43 F CA -0.827 57.268 58.000 0.157 0.000 0.915 43 F CB 1.711 40.827 39.000 0.192 0.000 1.176 43 F HN 0.438 8.738 8.300 -0.000 0.000 0.440 44 E N 4.944 124.870 120.200 -0.457 0.000 2.248 44 E HA 0.805 5.156 4.350 0.002 0.000 0.267 44 E C -1.185 174.952 176.600 -0.771 0.000 0.877 44 E CA -1.114 54.965 56.400 -0.535 0.000 0.759 44 E CB 2.219 31.807 29.700 -0.187 0.000 1.182 44 E HN 0.811 9.171 8.360 -0.000 0.000 0.418 45 A N 1.715 124.108 122.820 -0.712 0.000 2.506 45 A HA 0.589 4.910 4.320 0.002 0.000 0.305 45 A C -0.839 176.628 177.584 -0.195 0.000 1.166 45 A CA -0.760 50.965 52.037 -0.521 0.000 0.638 45 A CB 1.330 19.717 19.000 -1.022 0.000 1.336 45 A HN 0.395 8.545 8.150 -0.000 0.000 0.493 46 T N 2.042 116.613 114.554 0.029 0.000 2.832 46 T HA 0.470 4.821 4.350 0.002 0.000 0.296 46 T C 0.774 175.573 174.700 0.165 0.000 0.968 46 T CA 0.265 62.423 62.100 0.097 0.000 1.107 46 T CB -0.285 68.658 68.868 0.126 0.000 0.916 46 T HN 0.749 8.989 8.240 -0.000 0.000 0.517 47 I N -0.146 120.476 120.570 0.087 0.000 2.882 47 I HA 0.531 4.702 4.170 0.002 0.000 0.286 47 I C 1.257 177.432 176.117 0.096 0.000 1.139 47 I CA -0.101 61.257 61.300 0.097 0.000 1.379 47 I CB -0.011 38.005 38.000 0.027 0.000 1.410 47 I HN 0.797 9.007 8.210 -0.000 0.000 0.594 48 G N 2.597 111.453 108.800 0.094 0.000 2.159 48 G HA2 -0.221 3.740 3.960 0.002 0.000 0.256 48 G HA3 -0.221 3.740 3.960 0.002 0.000 0.256 48 G C 0.162 175.085 174.900 0.039 0.000 0.977 48 G CA 0.302 45.436 45.100 0.056 0.000 0.652 48 G HN 0.771 9.061 8.290 -0.000 0.000 0.531 49 K N -0.338 120.094 120.400 0.052 0.000 2.221 49 K HA 0.786 5.107 4.320 0.002 0.000 0.243 49 K C 0.034 176.544 176.600 -0.149 0.000 0.968 49 K CA -0.213 55.998 56.287 -0.126 0.000 0.846 49 K CB 1.907 34.221 32.500 -0.310 0.000 1.141 49 K HN 0.319 8.569 8.250 -0.000 0.000 0.434 50 T N 2.300 116.714 114.554 -0.234 0.000 2.756 50 T HA 0.481 4.832 4.350 0.002 0.000 0.290 50 T C -0.929 173.619 174.700 -0.254 0.000 0.985 50 T CA -0.305 61.732 62.100 -0.105 0.000 0.955 50 T CB -0.110 68.753 68.868 -0.008 0.000 0.930 50 T HN 0.395 8.635 8.240 -0.000 0.000 0.451 51 Y N 1.203 121.591 120.300 0.147 0.000 2.387 51 Y HA 0.473 5.024 4.550 0.002 0.000 0.330 51 Y C 1.065 176.990 175.900 0.042 0.000 1.133 51 Y CA -0.992 57.180 58.100 0.121 0.000 1.152 51 Y CB 1.305 39.901 38.460 0.228 0.000 1.215 51 Y HN 0.413 8.693 8.280 -0.000 0.000 0.466 52 T N 4.636 119.268 114.554 0.130 0.000 2.772 52 T HA 0.474 4.825 4.350 0.002 0.000 0.288 52 T C -0.891 173.796 174.700 -0.022 0.000 0.994 52 T CA -0.567 61.558 62.100 0.042 0.000 0.951 52 T CB 0.144 69.020 68.868 0.014 0.000 0.933 52 T HN 0.175 8.415 8.240 -0.000 0.000 0.447 53 L N 4.624 125.804 121.223 -0.070 0.000 2.287 53 L HA 0.433 4.774 4.340 0.002 0.000 0.287 53 L C 0.161 176.944 176.870 -0.144 0.000 1.022 53 L CA -0.447 54.299 54.840 -0.157 0.000 0.814 53 L CB 0.868 42.800 42.059 -0.212 0.000 1.217 53 L HN 0.495 8.725 8.230 -0.000 0.000 0.420 54 N N 4.843 123.445 118.700 -0.165 0.000 2.469 54 N HA 0.393 5.134 4.740 0.002 0.000 0.253 54 N C -0.457 174.925 175.510 -0.213 0.000 0.970 54 N CA -0.275 52.678 53.050 -0.162 0.000 0.940 54 N CB 1.967 40.380 38.487 -0.122 0.000 1.128 54 N HN 0.475 8.855 8.380 -0.000 0.000 0.503 55 I N 3.724 124.141 120.570 -0.255 0.000 2.260 55 I HA 0.046 4.217 4.170 0.002 0.000 0.297 55 I C 1.736 177.735 176.117 -0.196 0.000 1.143 55 I CA -0.193 60.935 61.300 -0.286 0.000 1.271 55 I CB 0.430 38.182 38.000 -0.414 0.000 1.461 55 I HN 0.385 8.595 8.210 -0.000 0.000 0.530 56 L N 4.986 126.119 121.223 -0.150 0.000 2.079 56 L HA -0.212 4.129 4.340 0.002 0.000 0.210 56 L C 1.855 178.697 176.870 -0.047 0.000 1.081 56 L CA 1.176 55.958 54.840 -0.097 0.000 0.752 56 L CB -0.539 41.466 42.059 -0.089 0.000 0.896 56 L HN 0.777 9.007 8.230 -0.000 0.000 0.433 57 N N 0.344 119.029 118.700 -0.025 0.000 2.327 57 N HA 0.072 4.813 4.740 0.002 0.000 0.231 57 N C 1.157 176.791 175.510 0.206 0.000 1.130 57 N CA 0.577 53.675 53.050 0.080 0.000 0.845 57 N CB 0.164 38.687 38.487 0.060 0.000 1.073 57 N HN 0.124 8.504 8.380 -0.000 0.000 0.496 58 A N 0.462 123.334 122.820 0.088 0.000 1.978 58 A HA 0.016 4.337 4.320 0.002 0.000 0.220 58 A C 2.174 179.967 177.584 0.348 0.000 1.170 58 A CA 1.512 53.593 52.037 0.074 0.000 0.636 58 A CB -1.264 17.448 19.000 -0.480 0.000 0.810 58 A HN 0.436 8.586 8.150 -0.000 0.000 0.448 59 G N -0.930 108.058 108.800 0.313 0.000 2.498 59 G HA2 0.120 4.081 3.960 0.002 0.000 0.219 59 G HA3 0.120 4.081 3.960 0.002 0.000 0.219 59 G C 1.173 176.194 174.900 0.203 0.000 1.119 59 G CA 1.021 46.320 45.100 0.331 0.000 0.766 59 G HN 0.753 9.043 8.290 -0.000 0.000 0.552 60 G N -0.184 108.732 108.800 0.193 0.000 3.189 60 G HA2 0.481 4.442 3.960 0.002 0.000 0.225 60 G HA3 0.481 4.442 3.960 0.002 0.000 0.225 60 G C 0.711 175.460 174.900 -0.252 0.000 1.159 60 G CA 0.605 45.767 45.100 0.104 0.000 0.763 60 G HN 0.620 8.910 8.290 -0.000 0.000 0.549 61 A N 0.089 122.731 122.820 -0.298 0.000 2.346 61 A HA 0.542 4.863 4.320 0.002 0.000 0.252 61 A C 1.694 178.938 177.584 -0.567 0.000 1.089 61 A CA 0.311 51.906 52.037 -0.737 0.000 0.797 61 A CB 0.524 19.405 19.000 -0.199 0.000 1.047 61 A HN 0.175 8.325 8.150 -0.000 0.000 0.494 62 S N -0.952 114.371 115.700 -0.628 0.000 2.423 62 S HA -0.021 4.450 4.470 0.002 0.000 0.231 62 S C -0.485 173.584 174.600 -0.885 0.000 1.014 62 S CA 1.386 59.178 58.200 -0.680 0.000 0.965 62 S CB -0.314 62.494 63.200 -0.652 0.000 0.785 62 S HN 0.580 8.890 8.310 -0.000 0.000 0.495 63 Y N 0.284 120.364 120.300 -0.366 0.000 2.535 63 Y HA 0.430 4.981 4.550 0.002 0.000 0.341 63 Y C 0.505 176.115 175.900 -0.483 0.000 1.041 63 Y CA -0.633 57.258 58.100 -0.348 0.000 1.307 63 Y CB 0.370 38.633 38.460 -0.328 0.000 1.095 63 Y HN -0.063 8.217 8.280 -0.000 0.000 0.534 64 L N 0.244 121.345 121.223 -0.203 0.000 2.291 64 L HA -0.125 4.216 4.340 0.002 0.000 0.214 64 L C 2.095 178.870 176.870 -0.159 0.000 1.120 64 L CA 0.597 55.314 54.840 -0.205 0.000 0.799 64 L CB -0.273 41.796 42.059 0.016 0.000 0.925 64 L HN 0.318 8.548 8.230 -0.000 0.000 0.446 65 K N 0.332 120.685 120.400 -0.078 0.000 2.147 65 K HA -0.071 4.250 4.320 0.002 0.000 0.205 65 K C 2.092 178.653 176.600 -0.065 0.000 1.049 65 K CA 0.949 57.222 56.287 -0.024 0.000 0.936 65 K CB -1.117 31.389 32.500 0.010 0.000 0.722 65 K HN 0.638 8.888 8.250 -0.000 0.000 0.446 66 G N -1.014 107.657 108.800 -0.215 0.000 2.498 66 G HA2 -0.213 3.748 3.960 0.002 0.000 0.219 66 G HA3 -0.213 3.748 3.960 0.002 0.000 0.219 66 G C 1.194 175.970 174.900 -0.206 0.000 1.119 66 G CA 0.501 45.442 45.100 -0.266 0.000 0.766 66 G HN 0.658 8.948 8.290 -0.000 0.000 0.552 67 W N 0.943 122.143 121.300 -0.167 0.000 3.003 67 W HA 0.223 4.884 4.660 0.002 0.000 0.257 67 W C 1.231 177.756 176.519 0.011 0.000 1.308 67 W CA -0.373 56.844 57.345 -0.212 0.000 1.529 67 W CB 0.485 29.453 29.460 -0.820 0.000 1.115 67 W HN 0.184 8.364 8.180 -0.000 0.000 0.659 68 E N 1.980 122.324 120.200 0.240 0.000 2.223 68 E HA 0.005 4.356 4.350 0.002 0.000 0.282 68 E C -0.157 176.584 176.600 0.234 0.000 1.046 68 E CA -0.083 56.462 56.400 0.242 0.000 0.857 68 E CB 0.517 30.324 29.700 0.177 0.000 1.055 68 E HN 0.112 8.472 8.360 -0.000 0.000 0.409 69 D N 1.686 122.227 120.400 0.235 0.000 3.041 69 D HA -0.257 4.384 4.640 0.002 0.000 0.220 69 D C -0.799 175.644 176.300 0.240 0.000 1.157 69 D CA 0.993 55.108 54.000 0.191 0.000 0.876 69 D CB -1.818 39.056 40.800 0.124 0.000 1.107 69 D HN 0.614 8.984 8.370 -0.000 0.000 0.422 70 Y N 1.238 121.669 120.300 0.217 0.000 2.310 70 Y HA 0.398 4.949 4.550 0.002 0.000 0.326 70 Y C 0.079 176.133 175.900 0.256 0.000 1.151 70 Y CA -0.061 58.201 58.100 0.271 0.000 1.195 70 Y CB 0.902 39.610 38.460 0.414 0.000 1.210 70 Y HN -0.162 8.118 8.280 -0.000 0.000 0.483 71 Q N 4.755 124.133 119.800 -0.703 0.000 2.337 71 Q HA 0.596 4.937 4.340 0.002 0.000 0.270 71 Q C -0.739 174.769 176.000 -0.819 0.000 1.043 71 Q CA -1.123 54.378 55.803 -0.503 0.000 0.794 71 Q CB 2.135 30.757 28.738 -0.193 0.000 1.281 71 Q HN 0.929 9.199 8.270 -0.000 0.000 0.446 72 A N 2.167 124.842 122.820 -0.243 0.000 2.466 72 A HA 0.311 4.632 4.320 0.002 0.000 0.238 72 A C 0.054 177.606 177.584 -0.053 0.000 1.074 72 A CA -0.140 51.967 52.037 0.116 0.000 0.774 72 A CB 0.396 19.593 19.000 0.330 0.000 1.015 72 A HN 0.488 8.638 8.150 -0.000 0.000 0.498 73 V N 0.793 120.708 119.914 0.001 0.000 2.532 73 V HA 0.714 4.835 4.120 0.002 0.000 0.295 73 V C 0.532 176.534 176.094 -0.153 0.000 1.041 73 V CA 0.413 62.629 62.300 -0.139 0.000 0.926 73 V CB 1.234 32.960 31.823 -0.161 0.000 0.992 73 V HN 1.398 9.588 8.190 -0.000 0.000 0.457 74 A N 3.097 125.662 122.820 -0.425 0.000 2.606 74 A HA 0.896 5.217 4.320 0.002 0.000 0.293 74 A C -0.775 176.136 177.584 -1.121 0.000 1.082 74 A CA -0.482 51.161 52.037 -0.656 0.000 0.685 74 A CB 2.237 20.761 19.000 -0.793 0.000 1.284 74 A HN 0.841 8.991 8.150 -0.000 0.000 0.408 75 S N -0.721 114.337 115.700 -1.071 0.000 2.536 75 S HA 0.603 5.074 4.470 0.002 0.000 0.271 75 S C -0.605 173.583 174.600 -0.687 0.000 1.134 75 S CA -0.346 57.212 58.200 -1.070 0.000 0.897 75 S CB 0.749 62.714 63.200 -2.058 0.000 1.094 75 S HN 0.610 8.920 8.310 -0.000 0.000 0.473 76 Y N 1.942 122.150 120.300 -0.152 0.000 2.397 76 Y HA 0.109 4.659 4.550 0.002 0.000 0.292 76 Y C 1.953 177.754 175.900 -0.165 0.000 1.115 76 Y CA 1.130 59.170 58.100 -0.099 0.000 1.208 76 Y CB 0.158 38.619 38.460 0.002 0.000 1.046 76 Y HN 0.772 9.052 8.280 -0.000 0.000 0.552 77 D N -1.359 118.993 120.400 -0.079 0.000 2.433 77 D HA 0.081 4.722 4.640 0.002 0.000 0.211 77 D C 0.576 176.791 176.300 -0.143 0.000 1.114 77 D CA -0.091 53.863 54.000 -0.076 0.000 0.837 77 D CB -0.157 40.630 40.800 -0.021 0.000 0.984 77 D HN 0.086 8.456 8.370 -0.000 0.000 0.505 78 R N -0.921 119.370 120.500 -0.348 0.000 3.953 78 R HA -0.183 4.158 4.340 0.002 0.000 0.340 78 R C 0.719 177.049 176.300 0.049 0.000 1.195 78 R CA 1.298 57.256 56.100 -0.235 0.000 0.929 78 R CB -1.367 28.962 30.300 0.047 0.000 1.402 78 R HN 0.237 8.507 8.270 -0.000 0.000 0.540 79 Q N -1.326 118.413 119.800 -0.103 0.000 2.619 79 Q HA 0.170 4.511 4.340 0.002 0.000 0.230 79 Q C 0.322 176.364 176.000 0.070 0.000 0.871 79 Q CA 1.035 56.884 55.803 0.078 0.000 0.934 79 Q CB 0.567 29.334 28.738 0.048 0.000 1.183 79 Q HN 0.143 8.413 8.270 -0.000 0.000 0.631 80 T N 1.964 116.471 114.554 -0.079 0.000 2.743 80 T HA 0.338 4.689 4.350 0.002 0.000 0.292 80 T C -1.126 173.483 174.700 -0.152 0.000 0.972 80 T CA -0.318 61.788 62.100 0.009 0.000 0.967 80 T CB 0.147 69.073 68.868 0.096 0.000 0.926 80 T HN 0.030 8.270 8.240 -0.000 0.000 0.459 81 W N 5.398 126.635 121.300 -0.104 0.000 2.376 81 W HA 0.597 5.257 4.660 0.001 0.000 0.312 81 W C -0.342 175.982 176.519 -0.325 0.000 1.060 81 W CA -1.282 55.906 57.345 -0.263 0.000 1.221 81 W CB 0.493 29.744 29.460 -0.348 0.000 1.281 81 W HN 0.601 8.781 8.180 -0.000 0.000 0.456 82 F N 0.521 120.299 119.950 -0.285 0.000 2.639 82 F HA 0.769 5.297 4.527 0.002 0.000 0.339 82 F C 0.143 175.743 175.800 -0.333 0.000 1.071 82 F CA -1.982 55.684 58.000 -0.556 0.000 0.994 82 F CB 0.861 39.331 39.000 -0.882 0.000 1.341 82 F HN -0.043 8.257 8.300 -0.000 0.000 0.498 83 R N 1.358 121.772 120.500 -0.143 0.000 2.486 83 R HA 0.604 4.945 4.340 0.002 0.000 0.286 83 R C -1.008 175.309 176.300 0.029 0.000 0.999 83 R CA -0.713 55.320 56.100 -0.112 0.000 0.993 83 R CB 1.630 31.879 30.300 -0.085 0.000 1.084 83 R HN 0.744 9.014 8.270 -0.000 0.000 0.487 84 L N 3.229 124.440 121.223 -0.020 0.000 2.330 84 L HA 0.435 4.776 4.340 0.002 0.000 0.271 84 L C -2.095 174.810 176.870 0.058 0.000 1.013 84 L CA -2.373 52.505 54.840 0.063 0.000 0.816 84 L CB 1.961 44.040 42.059 0.033 0.000 1.287 84 L HN 0.218 8.448 8.230 -0.000 0.000 0.435 85 P HA 0.083 4.503 4.420 -0.000 0.000 0.262 85 P C -1.103 176.240 177.300 0.071 0.000 1.199 85 P CA 0.239 63.384 63.100 0.076 0.000 0.763 85 P CB 0.514 32.265 31.700 0.084 0.000 0.790 86 T N 2.776 117.374 114.554 0.073 0.000 2.912 86 T HA 0.544 4.895 4.350 0.002 0.000 0.299 86 T C -0.640 174.128 174.700 0.114 0.000 1.052 86 T CA -0.793 61.363 62.100 0.094 0.000 0.996 86 T CB 1.795 70.736 68.868 0.121 0.000 1.070 86 T HN 0.457 8.697 8.240 -0.000 0.000 0.465 87 E N 1.239 121.505 120.200 0.110 0.000 2.408 87 E HA 0.550 4.901 4.350 0.002 0.000 0.275 87 E C -1.901 174.795 176.600 0.160 0.000 0.935 87 E CA -1.089 55.391 56.400 0.133 0.000 0.775 87 E CB 1.837 31.587 29.700 0.084 0.000 1.277 87 E HN 0.526 8.886 8.360 -0.000 0.000 0.455 88 Y N 1.454 121.776 120.300 0.037 0.000 2.345 88 Y HA 0.516 5.067 4.550 0.002 0.000 0.331 88 Y C -1.374 174.532 175.900 0.010 0.000 0.959 88 Y CA -0.609 57.491 58.100 -0.000 0.000 1.204 88 Y CB 1.478 39.983 38.460 0.075 0.000 1.135 88 Y HN 0.499 8.779 8.280 -0.000 0.000 0.477 89 K N 4.562 124.703 120.400 -0.430 0.000 2.550 89 K HA 0.404 4.725 4.320 0.002 0.000 0.252 89 K C -1.256 175.129 176.600 -0.359 0.000 0.943 89 K CA -0.202 55.880 56.287 -0.342 0.000 0.806 89 K CB 1.112 33.523 32.500 -0.148 0.000 1.289 89 K HN 0.787 9.037 8.250 -0.000 0.000 0.435 90 D N 2.167 122.380 120.400 -0.312 0.000 2.723 90 D HA -0.184 4.457 4.640 0.002 0.000 0.236 90 D C 0.747 176.915 176.300 -0.220 0.000 1.138 90 D CA 2.257 56.130 54.000 -0.211 0.000 0.676 90 D CB -1.426 39.293 40.800 -0.136 0.000 1.069 90 D HN 1.548 9.918 8.370 -0.000 0.000 0.430 91 G N -0.080 108.517 108.800 -0.338 0.000 2.175 91 G HA2 -0.376 3.585 3.960 0.002 0.000 0.265 91 G HA3 -0.376 3.585 3.960 0.002 0.000 0.265 91 G C 0.249 175.113 174.900 -0.060 0.000 0.979 91 G CA 1.213 46.227 45.100 -0.144 0.000 0.663 91 G HN 0.792 9.082 8.290 -0.000 0.000 0.533 92 K N -0.822 119.462 120.400 -0.193 0.000 2.316 92 K HA 0.791 5.112 4.320 0.002 0.000 0.251 92 K C -0.929 175.626 176.600 -0.076 0.000 0.934 92 K CA -1.429 54.793 56.287 -0.108 0.000 0.802 92 K CB 2.436 34.866 32.500 -0.118 0.000 1.171 92 K HN 0.210 8.460 8.250 -0.000 0.000 0.426 93 L N 2.049 123.183 121.223 -0.148 0.000 2.257 93 L HA 0.285 4.626 4.340 0.002 0.000 0.290 93 L C -0.872 175.909 176.870 -0.148 0.000 1.044 93 L CA 0.264 54.993 54.840 -0.186 0.000 0.810 93 L CB 1.381 43.094 42.059 -0.577 0.000 1.193 93 L HN 0.755 8.985 8.230 -0.000 0.000 0.425 94 S N 5.955 121.620 115.700 -0.059 0.000 2.422 94 S HA 0.609 5.080 4.470 0.002 0.000 0.308 94 S C -0.294 174.303 174.600 -0.005 0.000 1.097 94 S CA -0.406 57.767 58.200 -0.045 0.000 1.099 94 S CB 0.290 63.473 63.200 -0.029 0.000 0.976 94 S HN 0.457 8.767 8.310 -0.000 0.000 0.471 95 I N 2.944 123.506 120.570 -0.014 0.000 2.362 95 I HA 0.281 4.452 4.170 0.002 0.000 0.289 95 I C 0.152 176.295 176.117 0.044 0.000 0.994 95 I CA -0.364 60.952 61.300 0.027 0.000 1.158 95 I CB 1.755 39.775 38.000 0.033 0.000 1.315 95 I HN 0.389 8.599 8.210 -0.000 0.000 0.451 96 S N 5.248 120.990 115.700 0.071 0.000 2.489 96 S HA 0.379 4.850 4.470 0.002 0.000 0.277 96 S C -0.091 174.599 174.600 0.150 0.000 1.230 96 S CA -0.514 57.746 58.200 0.100 0.000 1.053 96 S CB 1.088 64.344 63.200 0.092 0.000 0.955 96 S HN 0.338 8.648 8.310 -0.000 0.000 0.488 97 V N 4.117 124.162 119.914 0.218 0.000 2.304 97 V HA 0.264 4.385 4.120 0.002 0.000 0.278 97 V C 0.276 176.595 176.094 0.375 0.000 1.018 97 V CA -0.612 61.875 62.300 0.312 0.000 0.814 97 V CB 1.126 33.183 31.823 0.389 0.000 1.021 97 V HN 0.874 9.064 8.190 -0.000 0.000 0.440 98 E N 5.162 125.534 120.200 0.287 0.000 1.814 98 E HA 0.211 4.562 4.350 0.002 0.000 0.264 98 E C -0.201 176.589 176.600 0.317 0.000 1.179 98 E CA -0.370 56.181 56.400 0.252 0.000 0.972 98 E CB 0.378 30.178 29.700 0.167 0.000 1.077 98 E HN 0.612 8.972 8.360 -0.000 0.000 0.417 99 L N 4.854 126.316 121.223 0.398 0.000 2.698 99 L HA -0.051 4.290 4.340 0.002 0.000 0.272 99 L C 0.529 177.533 176.870 0.224 0.000 1.154 99 L CA 0.113 55.179 54.840 0.376 0.000 0.964 99 L CB 0.311 42.570 42.059 0.334 0.000 1.272 99 L HN 0.610 8.840 8.230 -0.000 0.000 0.483 100 D N 1.656 122.158 120.400 0.170 0.000 2.305 100 D HA 0.049 4.690 4.640 0.002 0.000 0.206 100 D C 0.330 176.462 176.300 -0.280 0.000 0.974 100 D CA 0.560 54.487 54.000 -0.122 0.000 0.871 100 D CB 0.377 41.021 40.800 -0.260 0.000 0.947 100 D HN 0.429 8.799 8.370 -0.000 0.000 0.516 101 C N 0.047 119.153 119.300 -0.322 0.000 2.848 101 C HA 0.283 4.744 4.460 0.002 0.000 0.317 101 C C 1.697 176.693 174.990 0.009 0.000 1.260 101 C CA -0.772 58.137 59.018 -0.182 0.000 1.656 101 C CB 2.346 29.932 27.740 -0.257 0.000 2.174 101 C HN 0.036 8.266 8.230 -0.000 0.000 0.479 102 E N 1.085 121.270 120.200 -0.024 0.000 2.085 102 E HA -0.036 4.316 4.350 0.002 0.000 0.194 102 E C 0.724 177.276 176.600 -0.080 0.000 0.994 102 E CA 1.525 57.892 56.400 -0.056 0.000 0.801 102 E CB -0.020 29.648 29.700 -0.053 0.000 0.743 102 E HN 0.749 9.109 8.360 -0.000 0.000 0.453 103 A N 0.327 123.152 122.820 0.008 0.000 2.318 103 A HA 0.638 4.959 4.320 0.002 0.000 0.317 103 A C -0.735 176.905 177.584 0.093 0.000 1.159 103 A CA -0.521 51.521 52.037 0.007 0.000 0.799 103 A CB 0.714 19.721 19.000 0.012 0.000 1.194 103 A HN 0.194 8.344 8.150 -0.000 0.000 0.479 104 I N 1.375 121.955 120.570 0.018 0.000 2.582 104 I HA 0.404 4.575 4.170 0.002 0.000 0.292 104 I C -0.593 175.463 176.117 -0.100 0.000 1.066 104 I CA -0.518 60.719 61.300 -0.106 0.000 1.053 104 I CB 2.006 39.905 38.000 -0.168 0.000 1.241 104 I HN 0.817 9.027 8.210 -0.000 0.000 0.421 105 Q N 6.959 126.628 119.800 -0.218 0.000 2.271 105 Q HA 0.621 4.962 4.340 0.002 0.000 0.258 105 Q C -1.640 174.236 176.000 -0.207 0.000 0.936 105 Q CA -0.594 55.122 55.803 -0.146 0.000 0.909 105 Q CB 1.637 30.339 28.738 -0.060 0.000 1.253 105 Q HN 0.606 8.876 8.270 -0.000 0.000 0.440 106 I N 2.760 123.131 120.570 -0.332 0.000 2.465 106 I HA 0.790 4.961 4.170 0.002 0.000 0.291 106 I C -0.694 175.292 176.117 -0.218 0.000 1.014 106 I CA -0.704 60.384 61.300 -0.352 0.000 1.093 106 I CB 1.967 39.600 38.000 -0.612 0.000 1.267 106 I HN 0.734 8.944 8.210 -0.000 0.000 0.431 107 A N 3.815 126.607 122.820 -0.047 0.000 2.602 107 A HA 0.405 4.726 4.320 0.002 0.000 0.290 107 A C -0.629 176.638 177.584 -0.528 0.000 1.114 107 A CA -0.466 51.366 52.037 -0.342 0.000 0.683 107 A CB 0.731 19.528 19.000 -0.338 0.000 1.281 107 A HN 0.658 8.808 8.150 -0.000 0.000 0.416 108 Y N 0.175 119.663 120.300 -1.353 0.000 2.314 108 Y HA 0.345 4.896 4.550 0.002 0.000 0.293 108 Y C 0.092 176.110 175.900 0.196 0.000 1.129 108 Y CA 1.213 58.861 58.100 -0.754 0.000 1.201 108 Y CB -0.068 37.892 38.460 -0.834 0.000 0.999 108 Y HN 0.579 8.859 8.280 -0.000 0.000 0.541 109 F N -1.557 118.347 119.950 -0.075 0.000 2.711 109 F HA 0.341 4.869 4.527 0.002 0.000 0.313 109 F C -0.174 175.625 175.800 -0.002 0.000 1.141 109 F CA -1.170 56.880 58.000 0.083 0.000 0.941 109 F CB 0.814 39.940 39.000 0.210 0.000 1.349 109 F HN -0.423 7.877 8.300 -0.000 0.000 0.464 110 T N 5.268 119.457 114.554 -0.607 0.000 2.792 110 T HA 0.175 4.526 4.350 0.002 0.000 0.286 110 T C -2.520 172.231 174.700 0.086 0.000 0.970 110 T CA -0.352 61.324 62.100 -0.706 0.000 1.187 110 T CB 0.094 68.370 68.868 -0.986 0.000 0.915 110 T HN 0.147 8.387 8.240 -0.000 0.000 0.529 111 P HA 0.185 4.605 4.420 -0.000 0.000 0.272 111 P C -1.107 176.367 177.300 0.291 0.000 1.240 111 P CA -0.373 62.917 63.100 0.317 0.000 0.791 111 P CB 0.356 32.208 31.700 0.253 0.000 0.978 112 Y N 0.695 121.023 120.300 0.048 0.000 2.373 112 Y HA 0.327 4.878 4.550 0.001 0.000 0.327 112 Y C 0.075 175.928 175.900 -0.078 0.000 1.036 112 Y CA -0.493 57.496 58.100 -0.185 0.000 1.265 112 Y CB 0.850 39.009 38.460 -0.500 0.000 1.108 112 Y HN 0.371 8.651 8.280 -0.000 0.000 0.471 113 S N 3.507 119.200 115.700 -0.011 0.000 2.614 113 S HA 0.050 4.521 4.470 0.002 0.000 0.265 113 S C 0.831 175.555 174.600 0.207 0.000 1.303 113 S CA -0.310 57.959 58.200 0.114 0.000 1.000 113 S CB 0.618 63.862 63.200 0.073 0.000 0.935 113 S HN 0.719 9.029 8.310 -0.000 0.000 0.551 114 Y N 1.056 121.408 120.300 0.086 0.000 2.293 114 Y HA -0.009 4.542 4.550 0.001 0.000 0.291 114 Y C 2.321 178.294 175.900 0.122 0.000 1.137 114 Y CA 1.841 60.001 58.100 0.101 0.000 1.202 114 Y CB -0.286 38.205 38.460 0.052 0.000 0.990 114 Y HN 0.741 9.021 8.280 -0.000 0.000 0.537 115 E N 0.083 120.345 120.200 0.103 0.000 2.110 115 E HA -0.218 4.133 4.350 0.002 0.000 0.193 115 E C 2.294 178.863 176.600 -0.052 0.000 0.988 115 E CA 0.977 57.380 56.400 0.005 0.000 0.804 115 E CB -0.301 29.422 29.700 0.039 0.000 0.745 115 E HN 0.470 8.830 8.360 -0.000 0.000 0.458 116 R N -0.187 120.271 120.500 -0.069 0.000 2.073 116 R HA -0.147 4.194 4.340 0.002 0.000 0.229 116 R C 2.363 178.647 176.300 -0.026 0.000 1.120 116 R CA 1.493 57.486 56.100 -0.178 0.000 0.967 116 R CB -0.278 29.678 30.300 -0.573 0.000 0.862 116 R HN 0.198 8.468 8.270 -0.000 0.000 0.436 117 H N 0.347 119.442 119.070 0.043 0.000 2.352 117 H HA -0.105 4.452 4.556 0.001 0.000 0.299 117 H C 1.895 177.145 175.328 -0.130 0.000 1.097 117 H CA 2.070 58.145 56.048 0.045 0.000 1.311 117 H CB -0.133 29.622 29.762 -0.012 0.000 1.377 117 H HN 0.163 8.443 8.280 -0.000 0.000 0.504 118 L N -0.167 120.932 121.223 -0.206 0.000 2.141 118 L HA -0.135 4.206 4.340 0.002 0.000 0.209 118 L C 1.965 178.729 176.870 -0.176 0.000 1.094 118 L CA 1.108 55.797 54.840 -0.251 0.000 0.763 118 L CB -0.243 41.662 42.059 -0.257 0.000 0.908 118 L HN 0.346 8.576 8.230 -0.000 0.000 0.437 119 D N -0.017 120.304 120.400 -0.131 0.000 2.117 119 D HA -0.176 4.465 4.640 0.002 0.000 0.198 119 D C 2.034 178.273 176.300 -0.102 0.000 0.982 119 D CA 1.024 54.968 54.000 -0.094 0.000 0.828 119 D CB -0.126 40.629 40.800 -0.074 0.000 0.967 119 D HN 0.134 8.504 8.370 -0.000 0.000 0.464 120 L N 1.337 122.487 121.223 -0.122 0.000 2.017 120 L HA -0.087 4.254 4.340 0.002 0.000 0.208 120 L C 2.132 178.903 176.870 -0.165 0.000 1.073 120 L CA 1.439 56.208 54.840 -0.118 0.000 0.745 120 L CB -0.600 41.402 42.059 -0.096 0.000 0.894 120 L HN 0.133 8.363 8.230 -0.000 0.000 0.432 121 I N -3.967 116.447 120.570 -0.260 0.000 2.928 121 I HA -0.029 4.142 4.170 0.002 0.000 0.266 121 I C 1.906 177.948 176.117 -0.126 0.000 1.234 121 I CA 0.975 62.145 61.300 -0.216 0.000 1.483 121 I CB -0.435 37.399 38.000 -0.277 0.000 1.097 121 I HN 0.108 8.318 8.210 -0.000 0.000 0.455 122 S N 1.609 117.240 115.700 -0.113 0.000 2.371 122 S HA 0.164 4.635 4.470 0.002 0.000 0.221 122 S C 2.328 176.897 174.600 -0.052 0.000 1.036 122 S CA 1.041 59.200 58.200 -0.069 0.000 0.965 122 S CB -0.156 63.006 63.200 -0.064 0.000 0.845 122 S HN 0.637 8.947 8.310 -0.000 0.000 0.475 123 A N 1.917 124.704 122.820 -0.055 0.000 1.877 123 A HA -0.081 4.240 4.320 0.002 0.000 0.216 123 A C 2.396 179.963 177.584 -0.029 0.000 1.186 123 A CA 1.806 53.821 52.037 -0.036 0.000 0.620 123 A CB -1.274 17.705 19.000 -0.035 0.000 0.822 123 A HN 0.583 8.733 8.150 -0.000 0.000 0.443 124 V N -1.873 118.014 119.914 -0.046 0.000 2.660 124 V HA -0.346 3.775 4.120 0.002 0.000 0.257 124 V C 1.991 178.079 176.094 -0.010 0.000 1.088 124 V CA 2.370 64.646 62.300 -0.041 0.000 1.106 124 V CB -1.338 30.434 31.823 -0.084 0.000 0.686 124 V HN 0.634 8.824 8.190 -0.000 0.000 0.481 125 Q N 0.251 120.041 119.800 -0.016 0.000 2.181 125 Q HA -0.124 4.217 4.340 0.002 0.000 0.205 125 Q C 2.283 178.293 176.000 0.018 0.000 0.980 125 Q CA 2.093 57.894 55.803 -0.002 0.000 0.862 125 Q CB -0.352 28.380 28.738 -0.010 0.000 0.905 125 Q HN 0.674 8.944 8.270 -0.000 0.000 0.429 126 L N -0.088 121.145 121.223 0.017 0.000 2.191 126 L HA -0.117 4.224 4.340 0.002 0.000 0.212 126 L C 1.562 178.447 176.870 0.024 0.000 1.103 126 L CA 0.328 55.174 54.840 0.011 0.000 0.769 126 L CB -0.628 41.431 42.059 -0.000 0.000 0.908 126 L HN 0.330 8.560 8.230 -0.000 0.000 0.438 127 H N 2.364 121.409 119.070 -0.042 0.000 2.928 127 H HA -0.005 4.552 4.556 0.002 0.000 0.338 127 H C -1.484 173.820 175.328 -0.041 0.000 1.047 127 H CA -1.166 54.855 56.048 -0.045 0.000 1.435 127 H CB 1.468 31.194 29.762 -0.059 0.000 1.428 127 H HN -0.056 8.224 8.280 -0.000 0.000 0.590 128 P HA -0.106 4.314 4.420 -0.000 0.000 0.220 128 P C 1.330 178.683 177.300 0.089 0.000 1.148 128 P CA 0.909 63.976 63.100 -0.055 0.000 0.803 128 P CB 0.378 31.991 31.700 -0.145 0.000 0.782 129 L N -0.859 120.562 121.223 0.330 0.000 2.611 129 L HA 0.135 4.476 4.340 0.002 0.000 0.229 129 L C 0.504 177.416 176.870 0.071 0.000 1.137 129 L CA -0.114 54.840 54.840 0.190 0.000 0.901 129 L CB 0.158 42.326 42.059 0.183 0.000 1.098 129 L HN -0.238 7.992 8.230 -0.000 0.000 0.456 130 V N -0.858 119.111 119.914 0.091 0.000 2.513 130 V HA 0.412 4.533 4.120 0.002 0.000 0.299 130 V C -0.079 176.013 176.094 -0.003 0.000 1.035 130 V CA -0.314 61.978 62.300 -0.012 0.000 0.889 130 V CB 1.846 33.646 31.823 -0.038 0.000 0.988 130 V HN 0.068 8.258 8.190 -0.000 0.000 0.440 131 S N 2.045 117.730 115.700 -0.024 0.000 2.575 131 S HA 0.622 5.093 4.470 0.002 0.000 0.278 131 S C -0.134 174.461 174.600 -0.008 0.000 1.139 131 S CA -0.746 57.450 58.200 -0.006 0.000 0.954 131 S CB 2.063 65.267 63.200 0.007 0.000 1.054 131 S HN 0.954 9.264 8.310 -0.000 0.000 0.483 132 T N -0.105 114.450 114.554 0.003 0.000 2.934 132 T HA 0.732 5.083 4.350 0.002 0.000 0.283 132 T C -0.553 174.173 174.700 0.043 0.000 1.005 132 T CA -0.784 61.324 62.100 0.014 0.000 1.041 132 T CB 1.628 70.499 68.868 0.004 0.000 1.042 132 T HN 0.629 8.869 8.240 -0.000 0.000 0.505 133 E N 0.373 120.611 120.200 0.064 0.000 2.263 133 E HA 0.229 4.580 4.350 0.002 0.000 0.268 133 E C -1.544 175.119 176.600 0.105 0.000 0.884 133 E CA -0.795 55.659 56.400 0.089 0.000 0.766 133 E CB 1.326 31.082 29.700 0.095 0.000 1.196 133 E HN 0.879 9.239 8.360 -0.000 0.000 0.416 134 H N 5.214 124.294 119.070 0.016 0.000 2.944 134 H HA 0.155 4.713 4.556 0.002 0.000 0.278 134 H C 0.541 175.840 175.328 -0.049 0.000 1.083 134 H CA 0.178 56.222 56.048 -0.008 0.000 1.479 134 H CB 0.522 30.273 29.762 -0.018 0.000 1.486 134 H HN 0.605 8.885 8.280 -0.000 0.000 0.493 135 L N 4.080 125.088 121.223 -0.357 0.000 2.179 135 L HA 0.233 4.574 4.340 0.002 0.000 0.208 135 L C 1.298 177.638 176.870 -0.883 0.000 1.096 135 L CA 0.866 55.492 54.840 -0.356 0.000 0.779 135 L CB -0.192 41.796 42.059 -0.118 0.000 0.922 135 L HN 0.912 9.142 8.230 -0.000 0.000 0.443 136 G N -1.041 107.033 108.800 -1.209 0.000 2.356 136 G HA2 0.166 4.127 3.960 0.002 0.000 0.288 136 G HA3 0.166 4.127 3.960 0.002 0.000 0.288 136 G C -1.667 172.871 174.900 -0.604 0.000 1.302 136 G CA -0.939 43.459 45.100 -1.170 0.000 0.887 136 G HN -0.131 8.159 8.290 -0.000 0.000 0.521 137 L N 1.232 122.385 121.223 -0.118 0.000 2.343 137 L HA 0.592 4.933 4.340 0.002 0.000 0.275 137 L C 1.571 178.550 176.870 0.183 0.000 1.056 137 L CA -0.573 54.322 54.840 0.092 0.000 0.804 137 L CB 1.817 43.950 42.059 0.123 0.000 1.203 137 L HN 0.952 9.182 8.230 -0.000 0.000 0.440 138 T N -1.152 113.465 114.554 0.104 0.000 2.754 138 T HA 0.243 4.594 4.350 0.002 0.000 0.286 138 T C 1.263 175.979 174.700 0.028 0.000 0.997 138 T CA -0.614 61.522 62.100 0.059 0.000 0.982 138 T CB 0.702 69.569 68.868 -0.003 0.000 1.027 138 T HN 0.468 8.708 8.240 -0.000 0.000 0.529 139 L N -0.046 121.174 121.223 -0.005 0.000 2.201 139 L HA -0.022 4.319 4.340 0.002 0.000 0.212 139 L C 2.016 178.877 176.870 -0.014 0.000 1.105 139 L CA 1.163 55.995 54.840 -0.013 0.000 0.775 139 L CB -0.452 41.594 42.059 -0.022 0.000 0.913 139 L HN 0.661 8.891 8.230 -0.000 0.000 0.440 140 D N -0.083 120.299 120.400 -0.031 0.000 2.355 140 D HA 0.051 4.692 4.640 0.002 0.000 0.218 140 D C 1.541 177.824 176.300 -0.028 0.000 1.004 140 D CA 1.032 55.008 54.000 -0.040 0.000 0.880 140 D CB 0.488 41.242 40.800 -0.076 0.000 0.911 140 D HN 0.373 8.743 8.370 -0.000 0.000 0.528 141 G N 1.052 109.847 108.800 -0.007 0.000 2.134 141 G HA2 -0.269 3.692 3.960 0.002 0.000 0.209 141 G HA3 -0.269 3.692 3.960 0.002 0.000 0.209 141 G C 0.387 175.306 174.900 0.031 0.000 0.993 141 G CA -0.376 44.736 45.100 0.021 0.000 0.669 141 G HN 0.254 8.544 8.290 -0.000 0.000 0.519 142 R N -0.150 120.348 120.500 -0.003 0.000 2.531 142 R HA 0.565 4.906 4.340 0.002 0.000 0.260 142 R C -0.243 176.131 176.300 0.123 0.000 1.144 142 R CA -0.636 55.473 56.100 0.015 0.000 1.171 142 R CB 0.477 30.651 30.300 -0.210 0.000 1.199 142 R HN 0.178 8.448 8.270 -0.000 0.000 0.594 146 L N 4.060 125.339 121.223 0.094 0.000 2.282 146 L HA 0.790 5.131 4.340 0.002 0.000 0.288 146 L C -0.803 176.092 176.870 0.042 0.000 1.033 146 L CA -0.429 54.471 54.840 0.099 0.000 0.807 146 L CB 1.318 43.459 42.059 0.137 0.000 1.209 146 L HN 0.541 8.771 8.230 -0.000 0.000 0.423 147 V N 5.627 125.541 119.914 0.000 0.000 2.333 147 V HA 0.376 4.497 4.120 0.002 0.000 0.274 147 V C -0.075 175.956 176.094 -0.105 0.000 1.028 147 V CA -0.661 61.608 62.300 -0.051 0.000 0.851 147 V CB 0.946 32.724 31.823 -0.075 0.000 1.000 147 V HN 0.669 8.859 8.190 -0.000 0.000 0.456 148 K N 4.197 124.532 120.400 -0.109 0.000 2.253 148 K HA 0.604 4.925 4.320 0.002 0.000 0.277 148 K C -0.885 175.593 176.600 -0.204 0.000 1.053 148 K CA -0.331 55.828 56.287 -0.213 0.000 0.892 148 K CB 1.738 34.168 32.500 -0.118 0.000 1.102 148 K HN 0.471 8.721 8.250 -0.000 0.000 0.469 149 V N 2.518 122.285 119.914 -0.244 0.000 2.384 149 V HA 0.829 4.950 4.120 0.002 0.000 0.287 149 V C 0.556 176.577 176.094 -0.123 0.000 1.020 149 V CA -0.428 61.760 62.300 -0.187 0.000 0.850 149 V CB 0.840 32.508 31.823 -0.258 0.000 0.987 149 V HN 1.017 9.207 8.190 -0.000 0.000 0.436 150 G N 4.378 113.128 108.800 -0.084 0.000 2.325 150 G HA2 0.145 4.106 3.960 0.002 0.000 0.285 150 G HA3 0.145 4.106 3.960 0.002 0.000 0.285 150 G C -0.738 174.148 174.900 -0.025 0.000 1.303 150 G CA 0.014 45.092 45.100 -0.038 0.000 0.970 150 G HN 0.768 9.058 8.290 -0.000 0.000 0.490 151 D N -0.688 119.706 120.400 -0.010 0.000 2.501 151 D HA 0.259 4.900 4.640 0.002 0.000 0.226 151 D C 0.283 176.588 176.300 0.009 0.000 1.198 151 D CA 0.418 54.420 54.000 0.003 0.000 0.830 151 D CB -0.036 40.770 40.800 0.011 0.000 1.014 151 D HN 0.395 8.765 8.370 -0.000 0.000 0.496 152 D N 0.991 121.393 120.400 0.004 0.000 2.701 152 D HA -0.202 4.439 4.640 0.002 0.000 0.235 152 D C -0.547 175.777 176.300 0.040 0.000 1.155 152 D CA 1.003 55.025 54.000 0.037 0.000 0.649 152 D CB -1.067 39.764 40.800 0.052 0.000 1.050 152 D HN 0.490 8.860 8.370 -0.000 0.000 0.425 153 D N 0.244 120.661 120.400 0.029 0.000 2.316 153 D HA 0.129 4.770 4.640 0.002 0.000 0.245 153 D C -1.096 175.225 176.300 0.035 0.000 1.171 153 D CA -1.953 52.064 54.000 0.028 0.000 0.856 153 D CB 1.327 42.138 40.800 0.018 0.000 1.090 153 D HN 0.004 8.374 8.370 -0.000 0.000 0.476 154 P HA -0.138 4.282 4.420 -0.000 0.000 0.222 154 P C 1.082 178.402 177.300 0.034 0.000 1.147 154 P CA 0.728 63.855 63.100 0.044 0.000 0.790 154 P CB 0.082 31.807 31.700 0.041 0.000 0.780 155 S N -1.569 114.146 115.700 0.025 0.000 2.481 155 S HA -0.015 4.457 4.470 0.002 0.000 0.231 155 S C 1.047 175.655 174.600 0.013 0.000 0.996 155 S CA 0.204 58.414 58.200 0.018 0.000 0.942 155 S CB -0.652 62.557 63.200 0.014 0.000 0.768 155 S HN 0.135 8.445 8.310 -0.000 0.000 0.520 156 K N 1.362 121.770 120.400 0.013 0.000 2.138 156 K HA 0.310 4.631 4.320 0.002 0.000 0.251 156 K C -0.097 176.501 176.600 -0.005 0.000 1.015 156 K CA -0.288 55.998 56.287 -0.001 0.000 0.917 156 K CB 0.465 32.959 32.500 -0.008 0.000 1.021 156 K HN 0.153 8.403 8.250 -0.000 0.000 0.485 157 K N 0.384 120.764 120.400 -0.033 0.000 2.138 157 K HA 0.150 4.471 4.320 0.002 0.000 0.251 157 K C -0.413 176.155 176.600 -0.054 0.000 1.015 157 K CA -0.110 56.152 56.287 -0.042 0.000 0.917 157 K CB 0.999 33.461 32.500 -0.065 0.000 1.021 157 K HN 0.316 8.566 8.250 -0.000 0.000 0.485 158 S N 1.490 117.183 115.700 -0.011 0.000 2.456 158 S HA 0.429 4.900 4.470 0.002 0.000 0.316 158 S C -0.540 174.065 174.600 0.008 0.000 1.089 158 S CA -0.668 57.570 58.200 0.064 0.000 1.101 158 S CB 0.241 63.540 63.200 0.165 0.000 0.995 158 S HN 0.326 8.636 8.310 -0.000 0.000 0.468 159 I N 2.943 123.426 120.570 -0.145 0.000 2.389 159 I HA 0.393 4.564 4.170 0.002 0.000 0.288 159 I C -1.121 174.982 176.117 -0.024 0.000 0.999 159 I CA -0.460 60.737 61.300 -0.172 0.000 1.129 159 I CB 1.307 38.936 38.000 -0.619 0.000 1.288 159 I HN 0.565 8.775 8.210 -0.000 0.000 0.444 160 W N 7.309 128.696 121.300 0.146 0.000 2.478 160 W HA 0.654 5.315 4.660 0.001 0.000 0.318 160 W C -0.556 176.142 176.519 0.298 0.000 1.062 160 W CA -0.280 57.236 57.345 0.284 0.000 1.210 160 W CB 1.448 31.094 29.460 0.311 0.000 1.325 160 W HN 0.159 8.339 8.180 -0.000 0.000 0.496 161 I N 4.207 125.054 120.570 0.462 0.000 2.468 161 I HA 0.307 4.478 4.170 0.002 0.000 0.285 161 I C -0.258 176.047 176.117 0.313 0.000 1.039 161 I CA -0.793 60.695 61.300 0.314 0.000 1.074 161 I CB 1.634 39.788 38.000 0.256 0.000 1.228 161 I HN 0.293 8.503 8.210 -0.000 0.000 0.436 162 T N 2.559 117.251 114.554 0.230 0.000 2.841 162 T HA 0.897 5.248 4.350 0.002 0.000 0.283 162 T C -0.484 174.217 174.700 0.002 0.000 1.000 162 T CA -0.728 61.506 62.100 0.223 0.000 0.977 162 T CB 2.349 71.463 68.868 0.410 0.000 0.979 162 T HN 0.653 8.893 8.240 -0.000 0.000 0.446 163 A N 2.493 125.295 122.820 -0.030 0.000 2.469 163 A HA 0.879 5.200 4.320 0.002 0.000 0.299 163 A C 0.521 177.990 177.584 -0.191 0.000 1.098 163 A CA -1.106 50.832 52.037 -0.164 0.000 0.737 163 A CB 1.119 20.036 19.000 -0.139 0.000 1.312 163 A HN 1.096 9.246 8.150 -0.000 0.000 0.414 164 R N -0.289 120.036 120.500 -0.292 0.000 3.776 164 R HA -0.196 4.145 4.340 0.002 0.000 0.312 164 R C 1.013 177.198 176.300 -0.192 0.000 1.181 164 R CA 1.255 57.212 56.100 -0.237 0.000 0.836 164 R CB -1.854 28.325 30.300 -0.202 0.000 1.324 164 R HN 0.956 9.226 8.270 -0.000 0.000 0.501 165 Q N -0.686 118.956 119.800 -0.263 0.000 2.112 165 Q HA -0.181 4.160 4.340 0.002 0.000 0.206 165 Q C -0.080 175.852 176.000 -0.113 0.000 0.987 165 Q CA 1.806 57.510 55.803 -0.166 0.000 0.858 165 Q CB -0.067 28.565 28.738 -0.176 0.000 0.905 165 Q HN 0.648 8.918 8.270 -0.000 0.000 0.420 166 H N 0.790 119.848 119.070 -0.021 0.000 2.820 166 H HA 0.069 4.626 4.556 0.002 0.000 0.278 166 H C -1.546 173.756 175.328 -0.043 0.000 1.142 166 H CA -2.228 53.822 56.048 0.003 0.000 1.346 166 H CB 0.928 30.729 29.762 0.064 0.000 1.438 166 H HN 0.122 8.402 8.280 -0.000 0.000 0.473 167 P HA -0.187 4.233 4.420 -0.000 0.000 0.217 167 P C 1.608 178.790 177.300 -0.196 0.000 1.148 167 P CA 1.353 64.399 63.100 -0.090 0.000 0.828 167 P CB 0.186 31.828 31.700 -0.096 0.000 0.783 168 G N 0.007 108.737 108.800 -0.115 0.000 2.598 168 G HA2 -0.152 3.809 3.960 0.002 0.000 0.215 168 G HA3 -0.152 3.809 3.960 0.002 0.000 0.215 168 G C 0.792 175.810 174.900 0.198 0.000 1.131 168 G CA 0.006 45.019 45.100 -0.146 0.000 0.785 168 G HN 0.347 8.637 8.290 -0.000 0.000 0.539 169 E N 2.014 122.310 120.200 0.160 0.000 2.392 169 E HA 0.165 4.516 4.350 0.002 0.000 0.307 169 E C 0.932 177.452 176.600 -0.134 0.000 1.505 169 E CA -0.311 56.133 56.400 0.073 0.000 1.716 169 E CB -0.132 29.613 29.700 0.075 0.000 1.450 169 E HN 0.410 8.770 8.360 -0.000 0.000 0.484 173 E N -0.445 119.584 120.200 -0.286 0.000 2.107 173 E HA -0.160 4.191 4.350 0.002 0.000 0.191 173 E C 1.550 177.886 176.600 -0.440 0.000 0.982 173 E CA 1.479 57.566 56.400 -0.522 0.000 0.809 173 E CB -0.215 28.890 29.700 -0.991 0.000 0.756 173 E HN 0.728 9.088 8.360 -0.000 0.000 0.459 174 W N 0.941 122.142 121.300 -0.164 0.000 2.321 174 W HA -0.210 4.451 4.660 0.002 0.000 0.306 174 W C 2.309 178.856 176.519 0.046 0.000 1.217 174 W CA 0.997 58.384 57.345 0.070 0.000 1.257 174 W CB -0.326 29.234 29.460 0.168 0.000 1.145 174 W HN 0.207 8.387 8.180 -0.000 0.000 0.509 175 L N -0.175 121.203 121.223 0.257 0.000 2.046 175 L HA -0.203 4.138 4.340 0.002 0.000 0.208 175 L C 2.059 179.004 176.870 0.125 0.000 1.077 175 L CA 1.327 56.289 54.840 0.204 0.000 0.747 175 L CB -0.630 41.549 42.059 0.201 0.000 0.896 175 L HN -0.176 8.054 8.230 -0.000 0.000 0.432 176 V N 0.090 120.032 119.914 0.046 0.000 2.515 176 V HA -0.270 3.851 4.120 0.002 0.000 0.250 176 V C 2.468 178.557 176.094 -0.007 0.000 1.058 176 V CA 2.031 64.334 62.300 0.005 0.000 1.064 176 V CB -0.591 31.204 31.823 -0.046 0.000 0.675 176 V HN 0.573 8.763 8.190 -0.000 0.000 0.461 177 E N 0.486 120.694 120.200 0.013 0.000 2.072 177 E HA -0.155 4.196 4.350 0.002 0.000 0.191 177 E C 2.299 178.934 176.600 0.059 0.000 0.985 177 E CA 1.284 57.715 56.400 0.052 0.000 0.801 177 E CB -0.384 29.415 29.700 0.164 0.000 0.750 177 E HN 0.565 8.925 8.360 -0.000 0.000 0.452 178 G N 1.723 110.579 108.800 0.093 0.000 2.421 178 G HA2 -0.277 3.684 3.960 0.002 0.000 0.216 178 G HA3 -0.277 3.684 3.960 0.002 0.000 0.216 178 G C 1.570 176.469 174.900 -0.003 0.000 1.171 178 G CA 0.787 45.913 45.100 0.043 0.000 0.775 178 G HN 0.343 8.633 8.290 -0.000 0.000 0.543 179 L N -0.132 121.097 121.223 0.010 0.000 2.046 179 L HA 0.076 4.417 4.340 0.002 0.000 0.208 179 L C 2.760 179.568 176.870 -0.104 0.000 1.077 179 L CA 1.005 55.825 54.840 -0.033 0.000 0.747 179 L CB -0.143 41.921 42.059 0.009 0.000 0.896 179 L HN 0.204 8.434 8.230 -0.000 0.000 0.432 180 L N -0.112 121.052 121.223 -0.098 0.000 2.056 180 L HA -0.204 4.137 4.340 0.002 0.000 0.207 180 L C 2.364 179.154 176.870 -0.134 0.000 1.078 180 L CA 1.056 55.807 54.840 -0.148 0.000 0.749 180 L CB -0.717 41.268 42.059 -0.124 0.000 0.901 180 L HN 0.363 8.593 8.230 -0.000 0.000 0.433 181 N N -0.239 118.414 118.700 -0.079 0.000 2.104 181 N HA -0.251 4.490 4.740 0.002 0.000 0.190 181 N C 1.840 177.303 175.510 -0.078 0.000 1.024 181 N CA 1.206 54.217 53.050 -0.063 0.000 0.853 181 N CB -0.269 38.197 38.487 -0.034 0.000 1.008 181 N HN 0.282 8.662 8.380 -0.000 0.000 0.424 182 Q N 0.451 120.199 119.800 -0.087 0.000 2.079 182 Q HA 0.026 4.367 4.340 0.002 0.000 0.200 182 Q C 1.904 177.829 176.000 -0.126 0.000 0.974 182 Q CA 0.809 56.559 55.803 -0.089 0.000 0.840 182 Q CB -0.411 28.280 28.738 -0.078 0.000 0.898 182 Q HN 0.275 8.545 8.270 -0.000 0.000 0.430 183 L N -0.325 120.781 121.223 -0.194 0.000 2.093 183 L HA -0.015 4.326 4.340 0.002 0.000 0.208 183 L C 1.488 178.194 176.870 -0.273 0.000 1.085 183 L CA 1.582 56.247 54.840 -0.292 0.000 0.755 183 L CB -0.203 41.568 42.059 -0.480 0.000 0.904 183 L HN 0.332 8.562 8.230 -0.000 0.000 0.435 184 L N -0.734 120.337 121.223 -0.254 0.000 2.591 184 L HA 0.081 4.422 4.340 0.002 0.000 0.228 184 L C 0.136 177.000 176.870 -0.010 0.000 1.133 184 L CA -0.088 54.590 54.840 -0.269 0.000 0.880 184 L CB -0.481 41.401 42.059 -0.294 0.000 1.033 184 L HN 0.169 8.399 8.230 -0.000 0.000 0.450 185 D N 0.292 120.673 120.400 -0.031 0.000 2.380 185 D HA -0.004 4.637 4.640 0.002 0.000 0.230 185 D C 0.851 177.158 176.300 0.011 0.000 1.154 185 D CA -0.040 53.964 54.000 0.007 0.000 0.859 185 D CB 0.995 41.786 40.800 -0.015 0.000 1.045 185 D HN -0.091 8.279 8.370 -0.000 0.000 0.495 186 N N 3.001 121.727 118.700 0.043 0.000 2.289 186 N HA -0.157 4.584 4.740 0.002 0.000 0.184 186 N C 0.748 176.261 175.510 0.006 0.000 1.016 186 N CA 0.977 54.044 53.050 0.028 0.000 0.872 186 N CB 0.224 38.727 38.487 0.027 0.000 0.973 186 N HN 0.356 8.736 8.380 -0.000 0.000 0.433 187 D N -0.580 119.821 120.400 0.001 0.000 2.309 187 D HA -0.095 4.546 4.640 0.002 0.000 0.212 187 D C 0.066 176.363 176.300 -0.006 0.000 0.968 187 D CA 0.417 54.415 54.000 -0.004 0.000 0.882 187 D CB -0.535 40.262 40.800 -0.004 0.000 0.918 187 D HN 0.250 8.620 8.370 -0.000 0.000 0.503 188 C N 2.826 122.119 119.300 -0.010 0.000 2.464 188 C HA 0.175 4.636 4.460 0.002 0.000 0.370 188 C C -0.839 174.142 174.990 -0.015 0.000 1.267 188 C CA -1.854 57.154 59.018 -0.016 0.000 1.781 188 C CB 0.628 28.352 27.740 -0.027 0.000 2.431 188 C HN 0.138 8.368 8.230 -0.000 0.000 0.556 189 P HA -0.077 4.343 4.420 -0.000 0.000 0.217 189 P C 1.527 178.822 177.300 -0.009 0.000 1.150 189 P CA 1.768 64.864 63.100 -0.008 0.000 0.832 189 P CB -0.099 31.597 31.700 -0.007 0.000 0.787 190 T N 0.021 114.566 114.554 -0.014 0.000 2.720 190 T HA -0.112 4.239 4.350 0.002 0.000 0.268 190 T C 2.072 176.765 174.700 -0.012 0.000 1.037 190 T CA 1.980 64.072 62.100 -0.013 0.000 1.144 190 T CB -0.722 68.132 68.868 -0.023 0.000 0.864 190 T HN 0.166 8.406 8.240 -0.000 0.000 0.444 191 S N 0.519 116.199 115.700 -0.033 0.000 2.348 191 S HA -0.142 4.329 4.470 0.002 0.000 0.221 191 S C 2.232 176.818 174.600 -0.023 0.000 1.033 191 S CA 1.382 59.547 58.200 -0.058 0.000 1.010 191 S CB -0.336 62.815 63.200 -0.083 0.000 0.891 191 S HN 0.484 8.794 8.310 -0.000 0.000 0.442 192 K N 1.727 122.121 120.400 -0.009 0.000 2.009 192 K HA -0.019 4.302 4.320 0.002 0.000 0.210 192 K C 2.351 178.961 176.600 0.017 0.000 1.049 192 K CA 1.372 57.663 56.287 0.006 0.000 0.929 192 K CB -1.209 31.294 32.500 0.004 0.000 0.714 192 K HN 0.430 8.680 8.250 -0.000 0.000 0.440 193 A N 0.759 123.589 122.820 0.016 0.000 1.883 193 A HA -0.046 4.275 4.320 0.002 0.000 0.217 193 A C 2.446 180.055 177.584 0.041 0.000 1.186 193 A CA 2.022 54.072 52.037 0.021 0.000 0.624 193 A CB -0.680 18.328 19.000 0.014 0.000 0.822 193 A HN 0.489 8.639 8.150 -0.000 0.000 0.444 194 L N -0.869 120.394 121.223 0.066 0.000 2.012 194 L HA -0.189 4.152 4.340 0.002 0.000 0.210 194 L C 2.534 179.503 176.870 0.165 0.000 1.073 194 L CA 1.305 56.229 54.840 0.140 0.000 0.748 194 L CB -0.426 41.784 42.059 0.251 0.000 0.891 194 L HN 0.379 8.609 8.230 -0.000 0.000 0.431 195 L N -0.850 120.453 121.223 0.134 0.000 2.291 195 L HA -0.158 4.183 4.340 0.002 0.000 0.214 195 L C 1.886 178.793 176.870 0.062 0.000 1.120 195 L CA 0.488 55.398 54.840 0.118 0.000 0.799 195 L CB -0.470 41.620 42.059 0.051 0.000 0.925 195 L HN 0.250 8.480 8.230 -0.000 0.000 0.446 196 D N 0.348 120.775 120.400 0.044 0.000 2.264 196 D HA -0.129 4.512 4.640 0.002 0.000 0.208 196 D C 1.863 178.175 176.300 0.019 0.000 0.966 196 D CA 1.196 55.212 54.000 0.026 0.000 0.864 196 D CB 0.194 41.006 40.800 0.019 0.000 0.933 196 D HN 0.284 8.654 8.370 -0.000 0.000 0.499 197 K N -1.047 119.365 120.400 0.020 0.000 2.412 197 K HA 0.405 4.726 4.320 0.002 0.000 0.202 197 K C 0.073 176.656 176.600 -0.027 0.000 1.102 197 K CA -0.068 56.218 56.287 -0.000 0.000 1.027 197 K CB 1.839 34.339 32.500 -0.001 0.000 0.931 197 K HN -0.050 8.200 8.250 -0.000 0.000 0.557 198 A N 0.779 123.579 122.820 -0.034 0.000 2.539 198 A HA 0.565 4.886 4.320 0.002 0.000 0.296 198 A C -1.509 176.005 177.584 -0.116 0.000 1.073 198 A CA -0.908 51.049 52.037 -0.134 0.000 0.700 198 A CB 1.083 19.888 19.000 -0.324 0.000 1.296 198 A HN -0.019 8.131 8.150 -0.000 0.000 0.405 199 N N 0.241 118.823 118.700 -0.196 0.000 2.399 199 N HA 0.645 5.386 4.740 0.002 0.000 0.295 199 N C -1.623 173.581 175.510 -0.511 0.000 1.048 199 N CA 0.065 52.963 53.050 -0.253 0.000 0.886 199 N CB 1.045 39.390 38.487 -0.237 0.000 1.185 199 N HN 0.450 8.830 8.380 -0.000 0.000 0.487 200 F N 1.570 121.193 119.950 -0.545 0.000 2.421 200 F HA 0.373 4.901 4.527 0.002 0.000 0.337 200 F C -0.254 174.965 175.800 -0.969 0.000 1.105 200 F CA -0.521 57.149 58.000 -0.550 0.000 1.049 200 F CB 0.840 39.642 39.000 -0.330 0.000 1.139 200 F HN 0.307 8.607 8.300 -0.000 0.000 0.479 201 Y N 4.047 124.078 120.300 -0.449 0.000 2.338 201 Y HA 0.601 5.152 4.550 0.001 0.000 0.328 201 Y C -0.374 175.203 175.900 -0.539 0.000 0.965 201 Y CA -0.794 56.821 58.100 -0.807 0.000 1.208 201 Y CB 1.066 38.341 38.460 -1.975 0.000 1.132 201 Y HN 0.332 8.612 8.280 -0.000 0.000 0.469 202 I N 3.829 124.315 120.570 -0.139 0.000 2.465 202 I HA 0.472 4.643 4.170 0.002 0.000 0.291 202 I C -0.944 175.222 176.117 0.081 0.000 1.014 202 I CA -1.115 60.197 61.300 0.021 0.000 1.093 202 I CB 2.011 40.013 38.000 0.002 0.000 1.267 202 I HN 0.195 8.405 8.210 -0.000 0.000 0.431 203 V N 8.072 128.091 119.914 0.174 0.000 2.284 203 V HA 0.223 4.344 4.120 0.002 0.000 0.274 203 V C -1.825 174.342 176.094 0.121 0.000 1.023 203 V CA -1.153 61.258 62.300 0.185 0.000 0.808 203 V CB 1.103 33.094 31.823 0.280 0.000 1.035 203 V HN 0.610 8.800 8.190 -0.000 0.000 0.445 204 P HA -0.040 4.380 4.420 -0.000 0.000 0.220 204 P C 0.488 177.790 177.300 0.004 0.000 1.148 204 P CA 1.208 64.323 63.100 0.026 0.000 0.803 204 P CB 0.375 32.074 31.700 -0.001 0.000 0.782 208 P HA -0.044 4.376 4.420 -0.000 0.000 0.216 208 P C 0.709 177.875 177.300 -0.223 0.000 1.150 208 P CA 1.107 64.105 63.100 -0.171 0.000 0.837 208 P CB 0.518 32.124 31.700 -0.156 0.000 0.786 209 D N -0.656 119.630 120.400 -0.189 0.000 2.084 209 D HA -0.104 4.537 4.640 0.002 0.000 0.194 209 D C 2.328 178.474 176.300 -0.256 0.000 0.990 209 D CA 1.802 55.680 54.000 -0.202 0.000 0.826 209 D CB -1.336 39.384 40.800 -0.134 0.000 0.971 209 D HN 0.111 8.481 8.370 -0.000 0.000 0.453 210 G N 0.095 108.767 108.800 -0.214 0.000 2.450 210 G HA2 -0.237 3.724 3.960 0.002 0.000 0.220 210 G HA3 -0.237 3.724 3.960 0.002 0.000 0.220 210 G C 1.843 176.588 174.900 -0.259 0.000 1.130 210 G CA 1.145 46.073 45.100 -0.287 0.000 0.760 210 G HN 0.219 8.509 8.290 -0.000 0.000 0.557 211 S N -0.145 115.437 115.700 -0.197 0.000 2.343 211 S HA -0.119 4.352 4.470 0.002 0.000 0.219 211 S C 2.507 177.021 174.600 -0.142 0.000 1.033 211 S CA 1.266 59.357 58.200 -0.182 0.000 1.014 211 S CB -0.436 62.685 63.200 -0.131 0.000 0.915 211 S HN 0.163 8.473 8.310 -0.000 0.000 0.435 212 V N 1.804 121.634 119.914 -0.140 0.000 2.407 212 V HA -0.127 3.994 4.120 0.002 0.000 0.248 212 V C 2.122 178.173 176.094 -0.072 0.000 1.055 212 V CA 1.603 63.855 62.300 -0.079 0.000 1.049 212 V CB -0.631 31.107 31.823 -0.141 0.000 0.662 212 V HN 0.344 8.534 8.190 -0.000 0.000 0.455 213 R N 0.134 120.523 120.500 -0.185 0.000 2.339 213 R HA 0.134 4.475 4.340 0.002 0.000 0.199 213 R C 1.587 177.851 176.300 -0.060 0.000 1.018 213 R CA 0.619 56.601 56.100 -0.197 0.000 1.036 213 R CB -0.362 29.628 30.300 -0.516 0.000 0.899 213 R HN 0.586 8.856 8.270 -0.000 0.000 0.473 214 G N 1.262 110.057 108.800 -0.009 0.000 2.249 214 G HA2 -0.324 3.637 3.960 0.002 0.000 0.273 214 G HA3 -0.324 3.637 3.960 0.002 0.000 0.273 214 G C -0.319 174.745 174.900 0.274 0.000 1.036 214 G CA 0.187 45.388 45.100 0.168 0.000 0.824 214 G HN 0.558 8.848 8.290 -0.000 0.000 0.504 215 H N -1.736 117.356 119.070 0.037 0.000 2.607 215 H HA 0.413 4.970 4.556 0.002 0.000 0.367 215 H C 1.411 176.771 175.328 0.054 0.000 1.181 215 H CA -0.337 55.763 56.048 0.087 0.000 1.402 215 H CB 1.523 31.320 29.762 0.059 0.000 1.474 215 H HN 0.152 8.432 8.280 -0.000 0.000 0.596 216 L N 1.431 122.822 121.223 0.279 0.000 2.145 216 L HA 0.073 4.414 4.340 0.002 0.000 0.201 216 L C 1.842 178.769 176.870 0.096 0.000 1.075 216 L CA 1.616 56.580 54.840 0.208 0.000 0.773 216 L CB 0.033 42.215 42.059 0.206 0.000 0.936 216 L HN 0.527 8.757 8.230 -0.000 0.000 0.451 217 R N -1.337 119.175 120.500 0.021 0.000 2.541 217 R HA 0.215 4.556 4.340 0.002 0.000 0.332 217 R C -0.551 175.732 176.300 -0.029 0.000 0.951 217 R CA 0.703 56.700 56.100 -0.172 0.000 1.136 217 R CB 0.381 30.285 30.300 -0.660 0.000 1.449 217 R HN 0.510 8.780 8.270 -0.000 0.000 0.531 218 T N -1.579 113.039 114.554 0.106 0.000 2.883 218 T HA 0.371 4.722 4.350 0.002 0.000 0.296 218 T C -0.272 174.601 174.700 0.288 0.000 1.117 218 T CA -1.050 61.149 62.100 0.165 0.000 1.006 218 T CB 1.656 70.605 68.868 0.135 0.000 1.191 218 T HN 0.137 8.377 8.240 -0.000 0.000 0.508 219 N N 0.872 119.687 118.700 0.191 0.000 2.385 219 N HA 0.412 5.153 4.740 0.002 0.000 0.291 219 N C 1.830 177.461 175.510 0.202 0.000 1.298 219 N CA -0.041 53.091 53.050 0.137 0.000 0.955 219 N CB -0.550 37.965 38.487 0.048 0.000 1.096 219 N HN 0.838 9.218 8.380 -0.000 0.000 0.543 220 A N -0.416 122.455 122.820 0.085 0.000 1.892 220 A HA -0.139 4.182 4.320 0.002 0.000 0.218 220 A C 1.946 179.618 177.584 0.146 0.000 1.188 220 A CA 2.974 55.067 52.037 0.094 0.000 0.631 220 A CB -1.444 17.564 19.000 0.013 0.000 0.822 220 A HN 0.917 9.067 8.150 -0.000 0.000 0.447 221 V N -3.517 116.449 119.914 0.087 0.000 3.620 221 V HA 0.534 4.655 4.120 0.002 0.000 0.286 221 V C 1.201 177.335 176.094 0.067 0.000 1.288 221 V CA 0.637 62.975 62.300 0.063 0.000 1.178 221 V CB -0.963 30.875 31.823 0.025 0.000 0.986 221 V HN 1.671 9.861 8.190 -0.000 0.000 0.431 222 G N -0.357 108.503 108.800 0.100 0.000 2.136 222 G HA2 -0.084 3.877 3.960 0.002 0.000 0.242 222 G HA3 -0.084 3.877 3.960 0.002 0.000 0.242 222 G C 0.333 175.298 174.900 0.109 0.000 0.989 222 G CA 0.199 45.350 45.100 0.084 0.000 0.682 222 G HN 1.699 9.989 8.290 -0.000 0.000 0.522 223 A N -0.163 122.710 122.820 0.089 0.000 2.354 223 A HA 0.616 4.937 4.320 0.002 0.000 0.269 223 A C 0.508 178.155 177.584 0.105 0.000 1.109 223 A CA 0.061 52.147 52.037 0.081 0.000 0.800 223 A CB 0.474 19.493 19.000 0.031 0.000 1.045 223 A HN 0.625 8.775 8.150 -0.000 0.000 0.489 224 N N 2.724 121.496 118.700 0.120 0.000 2.439 224 N HA 0.155 4.896 4.740 0.002 0.000 0.243 224 N C 0.771 176.363 175.510 0.136 0.000 1.088 224 N CA -0.213 52.912 53.050 0.125 0.000 0.940 224 N CB 0.206 38.752 38.487 0.098 0.000 1.180 224 N HN 0.621 9.001 8.380 -0.000 0.000 0.505 225 L N 2.273 123.575 121.223 0.132 0.000 2.189 225 L HA -0.168 4.173 4.340 0.002 0.000 0.214 225 L C 1.298 178.297 176.870 0.216 0.000 1.097 225 L CA 0.861 55.750 54.840 0.082 0.000 0.764 225 L CB -0.258 41.837 42.059 0.060 0.000 0.900 225 L HN 0.474 8.704 8.230 -0.000 0.000 0.436 226 N N -0.175 118.704 118.700 0.299 0.000 2.362 226 N HA -0.035 4.706 4.740 0.002 0.000 0.204 226 N C 1.006 176.698 175.510 0.303 0.000 1.166 226 N CA 0.290 53.565 53.050 0.376 0.000 0.831 226 N CB 0.206 38.830 38.487 0.228 0.000 1.008 226 N HN 0.117 8.497 8.380 -0.000 0.000 0.472 227 R N -0.502 120.138 120.500 0.233 0.000 2.509 227 R HA 0.232 4.573 4.340 0.002 0.000 0.297 227 R C 0.203 176.562 176.300 0.099 0.000 0.951 227 R CA -0.019 56.176 56.100 0.158 0.000 1.103 227 R CB 0.477 30.845 30.300 0.113 0.000 1.283 227 R HN 0.188 8.458 8.270 -0.000 0.000 0.534 228 E N -0.601 119.630 120.200 0.051 0.000 2.479 228 E HA -0.009 4.342 4.350 0.002 0.000 0.193 228 E C 0.724 177.136 176.600 -0.314 0.000 1.049 228 E CA 0.074 56.387 56.400 -0.145 0.000 0.870 228 E CB 0.112 29.669 29.700 -0.238 0.000 0.944 228 E HN 0.248 8.608 8.360 -0.000 0.000 0.492 229 W N 1.414 122.542 121.300 -0.287 0.000 2.467 229 W HA -0.026 4.635 4.660 0.002 0.000 0.275 229 W C 2.434 178.330 176.519 -1.038 0.000 1.239 229 W CA 0.696 57.666 57.345 -0.624 0.000 1.266 229 W CB 0.064 29.240 29.460 -0.473 0.000 1.112 229 W HN 0.167 8.347 8.180 -0.000 0.000 0.576 230 Q N -0.175 119.404 119.800 -0.368 0.000 2.204 230 Q HA -0.038 4.303 4.340 0.002 0.000 0.198 230 Q C 0.485 176.398 176.000 -0.146 0.000 0.946 230 Q CA 1.604 57.284 55.803 -0.205 0.000 0.859 230 Q CB 0.157 28.955 28.738 0.099 0.000 0.946 230 Q HN 0.083 8.353 8.270 -0.000 0.000 0.474 231 T N -0.020 114.448 114.554 -0.143 0.000 3.418 231 T HA 0.450 4.801 4.350 0.002 0.000 0.315 231 T C -2.720 171.901 174.700 -0.131 0.000 1.447 231 T CA -1.608 60.428 62.100 -0.106 0.000 1.641 231 T CB 1.151 69.994 68.868 -0.040 0.000 0.904 231 T HN 0.056 8.296 8.240 -0.000 0.000 0.640 232 P HA 0.508 4.928 4.420 -0.000 0.000 0.276 232 P C -0.364 176.941 177.300 0.008 0.000 1.244 232 P CA -0.194 62.794 63.100 -0.186 0.000 0.801 232 P CB 1.328 32.820 31.700 -0.348 0.000 1.006 233 S N 0.242 115.939 115.700 -0.004 0.000 2.595 233 S HA 0.377 4.848 4.470 0.002 0.000 0.281 233 S C 0.971 175.410 174.600 -0.268 0.000 1.117 233 S CA -0.870 57.312 58.200 -0.029 0.000 0.873 233 S CB 0.992 64.151 63.200 -0.069 0.000 1.108 233 S HN 0.235 8.545 8.310 -0.000 0.000 0.477 234 L N 0.840 121.744 121.223 -0.532 0.000 2.093 234 L HA 0.008 4.349 4.340 0.002 0.000 0.208 234 L C 2.606 179.309 176.870 -0.279 0.000 1.085 234 L CA 1.313 55.818 54.840 -0.557 0.000 0.755 234 L CB -0.507 41.197 42.059 -0.591 0.000 0.904 234 L HN 0.801 9.031 8.230 -0.000 0.000 0.435 235 E N -0.336 119.746 120.200 -0.197 0.000 2.106 235 E HA -0.207 4.144 4.350 0.002 0.000 0.192 235 E C 2.216 178.757 176.600 -0.099 0.000 0.984 235 E CA 0.962 57.290 56.400 -0.120 0.000 0.806 235 E CB 0.141 29.789 29.700 -0.087 0.000 0.750 235 E HN 0.308 8.668 8.360 -0.000 0.000 0.458 236 R N -0.280 120.155 120.500 -0.108 0.000 2.342 236 R HA 0.067 4.408 4.340 0.002 0.000 0.204 236 R C 0.322 176.567 176.300 -0.092 0.000 0.882 236 R CA 0.875 56.928 56.100 -0.078 0.000 1.041 236 R CB 0.864 31.129 30.300 -0.059 0.000 1.188 236 R HN 0.068 8.338 8.270 -0.000 0.000 0.598 237 S N -0.177 115.438 115.700 -0.142 0.000 2.569 237 S HA 0.315 4.786 4.470 0.002 0.000 0.215 237 S C -2.131 172.313 174.600 -0.260 0.000 1.096 237 S CA -1.024 57.071 58.200 -0.175 0.000 1.183 237 S CB 1.490 64.579 63.200 -0.184 0.000 1.324 237 S HN 0.062 8.372 8.310 -0.000 0.000 0.421 238 P HA -0.157 4.263 4.420 -0.000 0.000 0.216 238 P C 1.036 177.988 177.300 -0.579 0.000 1.150 238 P CA 1.519 64.287 63.100 -0.554 0.000 0.843 238 P CB 0.108 31.581 31.700 -0.378 0.000 0.787 239 E N -0.200 119.848 120.200 -0.253 0.000 2.097 239 E HA -0.139 4.212 4.350 0.002 0.000 0.196 239 E C 2.107 178.570 176.600 -0.229 0.000 1.000 239 E CA 1.298 57.624 56.400 -0.123 0.000 0.804 239 E CB -1.125 28.531 29.700 -0.073 0.000 0.740 239 E HN 0.122 8.482 8.360 -0.000 0.000 0.454 240 V N -0.266 119.401 119.914 -0.410 0.000 2.535 240 V HA -0.162 3.959 4.120 0.002 0.000 0.246 240 V C 1.783 177.492 176.094 -0.641 0.000 1.045 240 V CA 1.170 63.020 62.300 -0.749 0.000 1.058 240 V CB -0.504 30.651 31.823 -1.114 0.000 0.689 240 V HN 0.267 8.457 8.190 -0.000 0.000 0.461 241 Y N 0.999 120.925 120.300 -0.623 0.000 2.069 241 Y HA -0.367 4.185 4.550 0.002 0.000 0.278 241 Y C 2.412 178.090 175.900 -0.371 0.000 1.175 241 Y CA 2.383 60.168 58.100 -0.525 0.000 1.134 241 Y CB -0.500 37.612 38.460 -0.580 0.000 0.965 241 Y HN 0.366 8.646 8.280 -0.000 0.000 0.498 242 Y N -1.701 118.644 120.300 0.075 0.000 2.293 242 Y HA -0.147 4.404 4.550 0.002 0.000 0.291 242 Y C 2.519 178.389 175.900 -0.049 0.000 1.137 242 Y CA 1.046 59.175 58.100 0.048 0.000 1.202 242 Y CB -1.302 37.190 38.460 0.055 0.000 0.990 242 Y HN -0.032 8.248 8.280 -0.000 0.000 0.537 243 V N -0.893 119.020 119.914 -0.002 0.000 2.307 243 V HA -0.238 3.883 4.120 0.002 0.000 0.245 243 V C 2.313 178.265 176.094 -0.237 0.000 1.045 243 V CA 1.567 63.826 62.300 -0.069 0.000 1.024 243 V CB -0.855 30.937 31.823 -0.051 0.000 0.651 243 V HN 0.251 8.441 8.190 -0.000 0.000 0.449 244 V N 0.773 120.488 119.914 -0.331 0.000 2.332 244 V HA -0.261 3.860 4.120 0.002 0.000 0.248 244 V C 2.334 178.376 176.094 -0.086 0.000 1.055 244 V CA 2.172 64.304 62.300 -0.280 0.000 1.038 244 V CB -0.798 30.718 31.823 -0.511 0.000 0.651 244 V HN 0.588 8.778 8.190 -0.000 0.000 0.450 245 N N -0.209 118.448 118.700 -0.072 0.000 2.188 245 N HA -0.073 4.668 4.740 0.002 0.000 0.184 245 N C 1.202 176.767 175.510 0.092 0.000 1.018 245 N CA 0.708 53.798 53.050 0.067 0.000 0.858 245 N CB -0.204 38.291 38.487 0.013 0.000 0.989 245 N HN 0.399 8.779 8.380 -0.000 0.000 0.426 249 E N 1.016 121.308 120.200 0.153 0.000 2.072 249 E HA -0.090 4.261 4.350 0.002 0.000 0.190 249 E C 1.976 178.606 176.600 0.049 0.000 0.982 249 E CA 2.060 58.518 56.400 0.096 0.000 0.803 249 E CB 0.169 29.916 29.700 0.079 0.000 0.755 249 E HN 0.435 8.795 8.360 -0.000 0.000 0.453 250 T N -1.885 112.661 114.554 -0.013 0.000 3.035 250 T HA 0.249 4.600 4.350 0.002 0.000 0.259 250 T C 1.081 175.759 174.700 -0.037 0.000 1.078 250 T CA 0.327 62.384 62.100 -0.070 0.000 1.132 250 T CB 0.115 68.793 68.868 -0.315 0.000 0.900 250 T HN 0.308 8.548 8.240 -0.000 0.000 0.480 251 G N 0.224 108.966 108.800 -0.097 0.000 2.787 251 G HA2 0.046 4.007 3.960 0.002 0.000 0.685 251 G HA3 0.046 4.007 3.960 0.002 0.000 0.685 251 G C -0.864 173.819 174.900 -0.362 0.000 1.437 251 G CA -0.588 44.407 45.100 -0.174 0.000 0.872 251 G HN 1.022 9.312 8.290 -0.000 0.000 0.566 252 V N 0.930 120.521 119.914 -0.539 0.000 2.577 252 V HA 0.531 4.652 4.120 0.002 0.000 0.303 252 V C -0.054 175.982 176.094 -0.098 0.000 1.042 252 V CA -0.353 61.759 62.300 -0.313 0.000 0.872 252 V CB 1.931 33.375 31.823 -0.632 0.000 0.998 252 V HN 0.834 9.024 8.190 -0.000 0.000 0.423 253 D N 2.800 123.196 120.400 -0.006 0.000 2.423 253 D HA 0.287 4.928 4.640 0.002 0.000 0.208 253 D C 0.001 176.297 176.300 -0.006 0.000 1.068 253 D CA 0.603 54.600 54.000 -0.006 0.000 0.860 253 D CB 2.046 42.835 40.800 -0.018 0.000 0.992 253 D HN 0.361 8.731 8.370 -0.000 0.000 0.504 254 L N 0.278 121.514 121.223 0.021 0.000 2.513 254 L HA 0.415 4.757 4.340 0.002 0.000 0.261 254 L C -2.069 174.903 176.870 0.171 0.000 0.945 254 L CA -0.809 54.040 54.840 0.015 0.000 0.848 254 L CB 2.578 44.586 42.059 -0.084 0.000 1.334 254 L HN -0.284 7.946 8.230 -0.000 0.000 0.407 255 F N 4.583 124.528 119.950 -0.008 0.000 2.529 255 F HA 0.565 5.093 4.527 0.002 0.000 0.320 255 F C -1.878 174.010 175.800 0.146 0.000 1.118 255 F CA -0.681 57.366 58.000 0.078 0.000 0.915 255 F CB 1.663 40.671 39.000 0.013 0.000 1.161 255 F HN 0.398 8.698 8.300 -0.000 0.000 0.445 256 Y N 5.038 124.974 120.300 -0.607 0.000 2.373 256 Y HA 0.309 4.860 4.550 0.002 0.000 0.327 256 Y C -1.290 174.192 175.900 -0.698 0.000 1.036 256 Y CA -1.193 56.593 58.100 -0.523 0.000 1.265 256 Y CB 0.739 39.107 38.460 -0.154 0.000 1.108 256 Y HN 0.588 8.868 8.280 -0.000 0.000 0.471 257 D N 4.217 124.066 120.400 -0.918 0.000 2.329 257 D HA 0.414 5.055 4.640 0.002 0.000 0.232 257 D C -1.147 174.924 176.300 -0.382 0.000 1.088 257 D CA -0.041 53.593 54.000 -0.610 0.000 0.835 257 D CB 1.226 41.749 40.800 -0.462 0.000 1.078 257 D HN 0.224 8.594 8.370 -0.000 0.000 0.495 258 V N 5.840 125.528 119.914 -0.378 0.000 2.407 258 V HA 0.349 4.470 4.120 0.002 0.000 0.278 258 V C 0.311 176.150 176.094 -0.426 0.000 1.037 258 V CA -0.415 61.666 62.300 -0.364 0.000 0.900 258 V CB 1.042 32.710 31.823 -0.258 0.000 0.983 258 V HN 0.604 8.794 8.190 -0.000 0.000 0.459 259 H N 2.097 120.995 119.070 -0.288 0.000 2.931 259 H HA 0.712 5.269 4.556 0.002 0.000 0.331 259 H C -0.075 175.093 175.328 -0.266 0.000 1.273 259 H CA -0.389 55.529 56.048 -0.216 0.000 1.171 259 H CB 2.681 32.347 29.762 -0.160 0.000 1.898 259 H HN 0.769 9.049 8.280 -0.000 0.000 0.562 260 G N 0.230 109.011 108.800 -0.030 0.000 2.617 260 G HA2 0.360 4.321 3.960 0.002 0.000 0.306 260 G HA3 0.360 4.321 3.960 0.002 0.000 0.306 260 G C -1.518 173.423 174.900 0.068 0.000 1.360 260 G CA -0.434 44.552 45.100 -0.190 0.000 0.983 260 G HN 0.509 8.799 8.290 -0.000 0.000 0.496 261 D N 0.625 121.030 120.400 0.008 0.000 2.278 261 D HA 0.436 5.077 4.640 0.002 0.000 0.245 261 D C 0.947 177.375 176.300 0.213 0.000 1.052 261 D CA -0.507 53.554 54.000 0.101 0.000 0.834 261 D CB 2.082 42.956 40.800 0.122 0.000 1.194 261 D HN 0.276 8.646 8.370 -0.000 0.000 0.481 262 E N 1.563 121.789 120.200 0.043 0.000 2.046 262 E HA 0.049 4.400 4.350 0.002 0.000 0.190 262 E C 1.995 178.596 176.600 0.002 0.000 0.982 262 E CA 1.210 57.593 56.400 -0.029 0.000 0.800 262 E CB 0.002 29.513 29.700 -0.316 0.000 0.756 262 E HN 0.596 8.956 8.360 -0.000 0.000 0.449 263 G N -0.105 108.673 108.800 -0.036 0.000 2.453 263 G HA2 0.033 3.994 3.960 0.002 0.000 0.215 263 G HA3 0.033 3.994 3.960 0.002 0.000 0.215 263 G C 0.381 175.297 174.900 0.026 0.000 1.147 263 G CA -0.173 44.924 45.100 -0.005 0.000 0.802 263 G HN 0.057 8.347 8.290 -0.000 0.000 0.535 264 L N 2.129 123.383 121.223 0.052 0.000 2.265 264 L HA 0.294 4.635 4.340 0.002 0.000 0.288 264 L C -1.880 174.980 176.870 -0.016 0.000 1.058 264 L CA -1.827 53.039 54.840 0.043 0.000 0.809 264 L CB 2.147 44.253 42.059 0.078 0.000 1.179 264 L HN -0.023 8.207 8.230 -0.000 0.000 0.429 265 P HA 0.202 4.622 4.420 -0.000 0.000 0.212 265 P C -1.450 175.393 177.300 -0.761 0.000 1.816 265 P CA 0.001 62.859 63.100 -0.403 0.000 0.944 265 P CB -0.204 31.244 31.700 -0.421 0.000 1.896 266 Y N -1.722 118.552 120.300 -0.044 0.000 2.609 266 Y HA 0.341 4.892 4.550 0.002 0.000 0.336 266 Y C 0.021 175.875 175.900 -0.077 0.000 1.129 266 Y CA -1.224 56.861 58.100 -0.025 0.000 1.040 266 Y CB 1.544 40.038 38.460 0.056 0.000 1.310 266 Y HN -0.285 7.995 8.280 -0.000 0.000 0.460 267 V N 3.457 123.375 119.914 0.006 0.000 2.539 267 V HA 0.624 4.745 4.120 0.002 0.000 0.292 267 V C -0.817 175.313 176.094 0.059 0.000 1.045 267 V CA -0.601 61.566 62.300 -0.223 0.000 0.945 267 V CB 0.866 32.408 31.823 -0.469 0.000 0.993 267 V HN 0.618 8.808 8.190 -0.000 0.000 0.464 268 F N 2.619 122.471 119.950 -0.164 0.000 2.693 268 F HA 0.761 5.289 4.527 0.002 0.000 0.309 268 F C -1.466 174.374 175.800 0.067 0.000 1.129 268 F CA -1.393 56.552 58.000 -0.091 0.000 0.948 268 F CB 1.139 40.011 39.000 -0.213 0.000 1.315 268 F HN 0.243 8.543 8.300 -0.000 0.000 0.447 269 L N 2.226 123.670 121.223 0.367 0.000 2.360 269 L HA 0.873 5.214 4.340 0.002 0.000 0.271 269 L C -0.236 176.766 176.870 0.220 0.000 1.057 269 L CA -1.215 53.775 54.840 0.250 0.000 0.803 269 L CB 1.788 44.094 42.059 0.412 0.000 1.207 269 L HN 0.980 9.210 8.230 -0.000 0.000 0.445 270 A N 1.516 124.411 122.820 0.125 0.000 2.332 270 A HA 0.729 5.050 4.320 0.002 0.000 0.300 270 A C -0.049 177.605 177.584 0.116 0.000 1.153 270 A CA -0.274 51.866 52.037 0.172 0.000 0.764 270 A CB 1.272 20.429 19.000 0.262 0.000 1.174 270 A HN 0.781 8.931 8.150 -0.000 0.000 0.467 271 G N -0.354 108.512 108.800 0.111 0.000 2.583 271 G HA2 0.434 4.395 3.960 0.002 0.000 0.280 271 G HA3 0.434 4.395 3.960 0.002 0.000 0.280 271 G C 0.500 175.411 174.900 0.018 0.000 1.376 271 G CA 0.249 45.397 45.100 0.080 0.000 1.043 271 G HN 1.608 9.898 8.290 -0.000 0.000 0.538 272 C N -0.392 118.892 119.300 -0.028 0.000 2.660 272 C HA 0.425 4.886 4.460 0.002 0.000 0.265 272 C C 1.553 176.317 174.990 -0.377 0.000 1.573 272 C CA -0.210 58.748 59.018 -0.100 0.000 1.751 272 C CB -0.519 27.220 27.740 -0.003 0.000 3.033 272 C HN 0.757 8.987 8.230 -0.000 0.000 0.511 273 E N 1.792 121.651 120.200 -0.569 0.000 2.273 273 E HA -0.151 4.200 4.350 0.002 0.000 0.198 273 E C 1.585 177.765 176.600 -0.701 0.000 1.002 273 E CA 1.917 57.646 56.400 -1.119 0.000 0.828 273 E CB -0.745 28.636 29.700 -0.532 0.000 0.747 273 E HN 0.713 9.073 8.360 -0.000 0.000 0.491 274 G N 2.157 110.756 108.800 -0.334 0.000 2.985 274 G HA2 0.207 4.168 3.960 0.002 0.000 0.209 274 G HA3 0.207 4.168 3.960 0.002 0.000 0.209 274 G C 1.075 175.914 174.900 -0.102 0.000 1.165 274 G CA 0.074 45.075 45.100 -0.166 0.000 0.776 274 G HN 0.441 8.731 8.290 -0.000 0.000 0.541 275 I N -2.075 118.429 120.570 -0.110 0.000 2.696 275 I HA 0.289 4.460 4.170 0.002 0.000 0.284 275 I C -1.233 174.897 176.117 0.022 0.000 1.129 275 I CA -1.941 59.344 61.300 -0.025 0.000 1.410 275 I CB 1.299 39.297 38.000 -0.004 0.000 1.399 275 I HN -0.210 8.000 8.210 -0.000 0.000 0.579 276 P HA -0.127 4.293 4.420 -0.000 0.000 0.218 276 P C 0.534 177.855 177.300 0.034 0.000 1.149 276 P CA 1.355 64.466 63.100 0.018 0.000 0.817 276 P CB -0.108 31.590 31.700 -0.004 0.000 0.785 277 N N -1.508 117.209 118.700 0.028 0.000 2.362 277 N HA -0.010 4.731 4.740 0.002 0.000 0.204 277 N C 0.285 175.847 175.510 0.086 0.000 1.166 277 N CA -0.128 52.937 53.050 0.026 0.000 0.831 277 N CB -0.777 37.696 38.487 -0.024 0.000 1.008 277 N HN 0.194 8.574 8.380 -0.000 0.000 0.472 278 Y N 1.686 121.971 120.300 -0.026 0.000 2.457 278 Y HA 0.155 4.706 4.550 0.002 0.000 0.341 278 Y C 0.993 176.887 175.900 -0.011 0.000 1.240 278 Y CA -0.548 57.544 58.100 -0.014 0.000 1.437 278 Y CB 0.509 38.967 38.460 -0.004 0.000 1.328 278 Y HN 0.052 8.332 8.280 -0.000 0.000 0.588 279 S N 1.448 116.894 115.700 -0.423 0.000 2.656 279 S HA 0.314 4.785 4.470 0.002 0.000 0.273 279 S C -0.146 174.230 174.600 -0.374 0.000 1.168 279 S CA -0.721 57.311 58.200 -0.280 0.000 0.817 279 S CB 1.366 64.462 63.200 -0.173 0.000 1.146 279 S HN 0.533 8.843 8.310 -0.000 0.000 0.475 280 D N 0.933 121.215 120.400 -0.196 0.000 2.117 280 D HA -0.069 4.572 4.640 0.002 0.000 0.197 280 D C 1.626 177.832 176.300 -0.157 0.000 0.987 280 D CA 1.433 55.342 54.000 -0.151 0.000 0.829 280 D CB -0.195 40.557 40.800 -0.079 0.000 0.961 280 D HN 0.674 9.044 8.370 -0.000 0.000 0.460 281 K N 0.539 120.853 120.400 -0.142 0.000 2.063 281 K HA -0.094 4.227 4.320 0.002 0.000 0.208 281 K C 2.199 178.717 176.600 -0.137 0.000 1.048 281 K CA 0.772 56.993 56.287 -0.110 0.000 0.928 281 K CB -0.110 32.340 32.500 -0.083 0.000 0.713 281 K HN 0.094 8.344 8.250 -0.000 0.000 0.442 282 L N 0.235 121.315 121.223 -0.239 0.000 2.072 282 L HA -0.094 4.247 4.340 0.002 0.000 0.205 282 L C 2.623 179.343 176.870 -0.251 0.000 1.079 282 L CA 0.997 55.688 54.840 -0.249 0.000 0.752 282 L CB -0.522 41.333 42.059 -0.340 0.000 0.906 282 L HN 0.309 8.539 8.230 -0.000 0.000 0.436 283 A N -0.709 121.854 122.820 -0.428 0.000 1.883 283 A HA -0.276 4.045 4.320 0.002 0.000 0.217 283 A C 2.544 180.117 177.584 -0.019 0.000 1.186 283 A CA 2.296 54.239 52.037 -0.157 0.000 0.624 283 A CB -0.809 18.104 19.000 -0.144 0.000 0.822 283 A HN 0.380 8.530 8.150 -0.000 0.000 0.444 284 S N -0.719 114.952 115.700 -0.048 0.000 2.383 284 S HA -0.076 4.395 4.470 0.002 0.000 0.227 284 S C 1.921 176.537 174.600 0.026 0.000 1.026 284 S CA 1.357 59.555 58.200 -0.004 0.000 0.981 284 S CB -0.492 62.697 63.200 -0.019 0.000 0.818 284 S HN 0.464 8.774 8.310 -0.000 0.000 0.472 285 L N 1.067 122.299 121.223 0.015 0.000 2.083 285 L HA -0.102 4.239 4.340 0.002 0.000 0.209 285 L C 2.821 179.756 176.870 0.108 0.000 1.083 285 L CA 1.518 56.385 54.840 0.046 0.000 0.752 285 L CB -0.458 41.608 42.059 0.011 0.000 0.899 285 L HN 0.375 8.605 8.230 -0.000 0.000 0.433 286 Q N 0.108 119.978 119.800 0.116 0.000 2.079 286 Q HA -0.261 4.080 4.340 0.002 0.000 0.200 286 Q C 2.156 178.282 176.000 0.210 0.000 0.974 286 Q CA 1.786 57.703 55.803 0.190 0.000 0.840 286 Q CB -0.179 28.686 28.738 0.212 0.000 0.898 286 Q HN 0.453 8.723 8.270 -0.000 0.000 0.430 287 Q N -0.404 119.484 119.800 0.147 0.000 2.084 287 Q HA -0.200 4.142 4.340 0.002 0.000 0.202 287 Q C 1.113 177.181 176.000 0.113 0.000 0.978 287 Q CA 1.814 57.690 55.803 0.122 0.000 0.844 287 Q CB -0.087 28.702 28.738 0.084 0.000 0.898 287 Q HN 0.444 8.714 8.270 -0.000 0.000 0.426 288 D N -0.148 120.316 120.400 0.108 0.000 2.117 288 D HA -0.157 4.484 4.640 0.002 0.000 0.197 288 D C 1.564 177.928 176.300 0.108 0.000 0.987 288 D CA 0.908 54.962 54.000 0.090 0.000 0.829 288 D CB -0.365 40.484 40.800 0.081 0.000 0.961 288 D HN 0.263 8.633 8.370 -0.000 0.000 0.460 289 F N 1.460 121.415 119.950 0.009 0.000 2.113 289 F HA -0.185 4.343 4.527 0.002 0.000 0.297 289 F C 2.230 178.016 175.800 -0.024 0.000 1.103 289 F CA 0.955 58.946 58.000 -0.015 0.000 1.248 289 F CB -0.270 38.731 39.000 0.002 0.000 0.999 289 F HN -0.226 8.074 8.300 -0.000 0.000 0.475 290 V N 0.481 120.463 119.914 0.115 0.000 2.407 290 V HA -0.287 3.834 4.120 0.002 0.000 0.248 290 V C 2.706 178.823 176.094 0.038 0.000 1.055 290 V CA 1.630 63.980 62.300 0.085 0.000 1.049 290 V CB -1.667 30.311 31.823 0.259 0.000 0.662 290 V HN 0.470 8.660 8.190 -0.000 0.000 0.455 291 A N 0.204 123.044 122.820 0.034 0.000 1.877 291 A HA -0.113 4.208 4.320 0.002 0.000 0.216 291 A C 2.433 179.987 177.584 -0.051 0.000 1.186 291 A CA 2.152 54.200 52.037 0.020 0.000 0.620 291 A CB -0.795 18.220 19.000 0.024 0.000 0.822 291 A HN 0.564 8.714 8.150 -0.000 0.000 0.443 292 A N -0.871 121.871 122.820 -0.130 0.000 1.898 292 A HA 0.024 4.345 4.320 0.002 0.000 0.216 292 A C 2.098 179.505 177.584 -0.294 0.000 1.181 292 A CA 1.651 53.574 52.037 -0.191 0.000 0.620 292 A CB -0.544 18.331 19.000 -0.207 0.000 0.819 292 A HN 0.572 8.722 8.150 -0.000 0.000 0.442 293 L N -0.059 120.873 121.223 -0.485 0.000 2.093 293 L HA -0.056 4.285 4.340 0.002 0.000 0.208 293 L C 2.494 179.148 176.870 -0.360 0.000 1.085 293 L CA 2.286 56.737 54.840 -0.649 0.000 0.755 293 L CB -0.641 40.746 42.059 -1.120 0.000 0.904 293 L HN 0.294 8.524 8.230 -0.000 0.000 0.435 294 S N -0.583 115.083 115.700 -0.057 0.000 2.382 294 S HA -0.161 4.310 4.470 0.002 0.000 0.228 294 S C 1.901 176.551 174.600 0.083 0.000 1.027 294 S CA 1.526 59.874 58.200 0.247 0.000 0.991 294 S CB -0.433 62.932 63.200 0.275 0.000 0.823 294 S HN 0.517 8.827 8.310 -0.000 0.000 0.469 295 L N 1.000 122.220 121.223 -0.005 0.000 2.093 295 L HA -0.041 4.300 4.340 0.002 0.000 0.208 295 L C 2.383 179.222 176.870 -0.052 0.000 1.085 295 L CA 1.212 56.039 54.840 -0.021 0.000 0.755 295 L CB -0.450 41.587 42.059 -0.037 0.000 0.904 295 L HN 0.334 8.564 8.230 -0.000 0.000 0.435 296 A N -1.609 121.142 122.820 -0.114 0.000 1.968 296 A HA -0.052 4.269 4.320 0.002 0.000 0.217 296 A C 1.372 178.876 177.584 -0.134 0.000 1.169 296 A CA 1.175 53.123 52.037 -0.147 0.000 0.638 296 A CB -0.245 18.612 19.000 -0.238 0.000 0.812 296 A HN 0.390 8.540 8.150 -0.000 0.000 0.446 297 S N -2.331 113.307 115.700 -0.104 0.000 2.557 297 S HA 0.569 5.040 4.470 0.002 0.000 0.291 297 S C 0.418 175.101 174.600 0.138 0.000 1.116 297 S CA -0.012 58.174 58.200 -0.023 0.000 0.992 297 S CB 1.657 64.767 63.200 -0.150 0.000 1.028 297 S HN 0.737 9.047 8.310 -0.000 0.000 0.484 298 A N 3.140 126.040 122.820 0.132 0.000 2.208 298 A HA 0.132 4.453 4.320 0.002 0.000 0.209 298 A C 1.333 179.068 177.584 0.251 0.000 1.161 298 A CA 0.712 52.844 52.037 0.158 0.000 0.782 298 A CB -0.223 18.835 19.000 0.096 0.000 0.816 298 A HN 0.807 8.957 8.150 -0.000 0.000 0.477 299 D N -1.418 119.207 120.400 0.375 0.000 2.323 299 D HA 0.077 4.718 4.640 0.002 0.000 0.209 299 D C 0.060 176.656 176.300 0.494 0.000 0.973 299 D CA 0.161 54.449 54.000 0.479 0.000 0.874 299 D CB 0.013 41.247 40.800 0.724 0.000 0.930 299 D HN 0.391 8.761 8.370 -0.000 0.000 0.521 300 F N 1.868 122.063 119.950 0.409 0.000 2.418 300 F HA 0.285 4.813 4.527 0.002 0.000 0.341 300 F C 0.212 176.131 175.800 0.198 0.000 1.120 300 F CA -0.282 57.928 58.000 0.348 0.000 1.232 300 F CB 0.668 39.882 39.000 0.356 0.000 1.175 300 F HN -0.182 8.118 8.300 -0.000 0.000 0.569 301 Q N 0.859 120.220 119.800 -0.732 0.000 2.590 301 Q HA 0.446 4.787 4.340 0.002 0.000 0.295 301 Q C -0.793 174.710 176.000 -0.829 0.000 0.973 301 Q CA -0.315 55.156 55.803 -0.554 0.000 0.768 301 Q CB 1.442 30.057 28.738 -0.205 0.000 1.479 301 Q HN 0.511 8.781 8.270 -0.000 0.000 0.419 302 T N -4.223 110.031 114.554 -0.500 0.000 3.144 302 T HA 0.253 4.604 4.350 0.002 0.000 0.290 302 T C 0.613 175.089 174.700 -0.373 0.000 0.966 302 T CA 0.333 62.205 62.100 -0.380 0.000 0.907 302 T CB 0.165 68.910 68.868 -0.205 0.000 1.152 302 T HN 0.658 8.898 8.240 -0.000 0.000 0.532 303 E N 0.291 120.165 120.200 -0.545 0.000 2.060 303 E HA 0.185 4.536 4.350 0.002 0.000 0.189 303 E C -0.565 175.478 176.600 -0.928 0.000 0.974 303 E CA 0.536 56.459 56.400 -0.796 0.000 0.808 303 E CB 0.226 29.225 29.700 -1.169 0.000 0.768 303 E HN 0.502 8.862 8.360 -0.000 0.000 0.453 304 F N -0.671 118.974 119.950 -0.509 0.000 2.432 304 F HA 0.662 5.190 4.527 0.002 0.000 0.329 304 F C 0.881 176.251 175.800 -0.717 0.000 1.076 304 F CA 0.063 57.713 58.000 -0.583 0.000 1.018 304 F CB 2.010 40.533 39.000 -0.795 0.000 1.201 304 F HN 0.112 8.412 8.300 -0.000 0.000 0.489 305 G N -0.095 108.311 108.800 -0.657 0.000 2.367 305 G HA2 0.238 4.199 3.960 0.002 0.000 0.272 305 G HA3 0.238 4.199 3.960 0.002 0.000 0.272 305 G C -2.069 172.464 174.900 -0.612 0.000 1.271 305 G CA -0.892 43.422 45.100 -1.309 0.000 0.893 305 G HN 0.269 8.559 8.290 -0.000 0.000 0.485 306 Y N 1.081 121.247 120.300 -0.223 0.000 2.334 306 Y HA 0.503 5.054 4.550 0.002 0.000 0.325 306 Y C 0.795 176.668 175.900 -0.045 0.000 1.308 306 Y CA -1.145 56.920 58.100 -0.058 0.000 1.389 306 Y CB 0.474 38.973 38.460 0.066 0.000 1.328 306 Y HN 0.295 8.575 8.280 -0.000 0.000 0.532 307 D N 0.809 121.303 120.400 0.157 0.000 2.339 307 D HA 0.150 4.791 4.640 0.002 0.000 0.245 307 D C -0.367 175.972 176.300 0.066 0.000 1.115 307 D CA -0.188 53.853 54.000 0.068 0.000 0.917 307 D CB 0.827 41.650 40.800 0.037 0.000 1.192 307 D HN 0.339 8.709 8.370 -0.000 0.000 0.428 308 K N 0.969 121.388 120.400 0.033 0.000 2.126 308 K HA 0.186 4.507 4.320 0.002 0.000 0.257 308 K C -0.384 176.213 176.600 -0.004 0.000 1.007 308 K CA -0.587 55.709 56.287 0.015 0.000 0.928 308 K CB 0.660 33.161 32.500 0.001 0.000 1.013 308 K HN 0.265 8.515 8.250 -0.000 0.000 0.473 309 D N 2.109 122.493 120.400 -0.027 0.000 2.255 309 D HA 0.066 4.707 4.640 0.002 0.000 0.249 309 D C 0.073 176.350 176.300 -0.039 0.000 1.078 309 D CA -0.185 53.794 54.000 -0.034 0.000 0.896 309 D CB 0.862 41.632 40.800 -0.050 0.000 1.194 309 D HN 0.238 8.608 8.370 -0.000 0.000 0.429 310 E N 1.480 121.666 120.200 -0.024 0.000 2.422 310 E HA 0.156 4.507 4.350 0.002 0.000 0.260 310 E C -2.115 174.471 176.600 -0.024 0.000 1.108 310 E CA -1.614 54.776 56.400 -0.017 0.000 0.943 310 E CB -0.520 29.176 29.700 -0.008 0.000 0.961 310 E HN 0.148 8.508 8.360 -0.000 0.000 0.443 311 P HA 0.039 4.459 4.420 -0.000 0.000 0.264 311 P C 0.745 178.043 177.300 -0.003 0.000 1.193 311 P CA 0.857 63.955 63.100 -0.004 0.000 0.763 311 P CB 0.383 32.096 31.700 0.022 0.000 0.810 312 G N 1.355 110.151 108.800 -0.006 0.000 2.220 312 G HA2 -0.385 3.576 3.960 0.002 0.000 0.269 312 G HA3 -0.385 3.576 3.960 0.002 0.000 0.269 312 G C 0.982 175.877 174.900 -0.009 0.000 0.977 312 G CA 0.706 45.805 45.100 -0.003 0.000 0.634 312 G HN 0.831 9.121 8.290 -0.000 0.000 0.539 313 K N -0.438 119.952 120.400 -0.016 0.000 2.437 313 K HA 0.824 5.145 4.320 0.002 0.000 0.198 313 K C 1.137 177.729 176.600 -0.014 0.000 1.024 313 K CA 1.512 57.791 56.287 -0.012 0.000 1.148 313 K CB -0.136 32.357 32.500 -0.011 0.000 0.860 313 K HN 1.986 10.236 8.250 -0.000 0.000 0.515 314 A N 1.523 124.330 122.820 -0.021 0.000 2.445 314 A HA 0.334 4.655 4.320 0.002 0.000 0.242 314 A C 0.221 177.809 177.584 0.006 0.000 1.075 314 A CA -0.296 51.730 52.037 -0.017 0.000 0.777 314 A CB 0.064 19.047 19.000 -0.029 0.000 1.013 314 A HN 0.486 8.636 8.150 -0.000 0.000 0.493 315 N N 2.206 120.915 118.700 0.013 0.000 2.402 315 N HA 0.142 4.883 4.740 0.002 0.000 0.252 315 N C 0.289 175.837 175.510 0.064 0.000 1.118 315 N CA -0.081 52.989 53.050 0.034 0.000 0.945 315 N CB 0.228 38.732 38.487 0.028 0.000 1.147 315 N HN 0.579 8.959 8.380 -0.000 0.000 0.495 316 L N 2.359 123.634 121.223 0.087 0.000 2.650 316 L HA 0.001 4.342 4.340 0.002 0.000 0.235 316 L C 1.746 178.761 176.870 0.240 0.000 1.149 316 L CA 0.527 55.457 54.840 0.151 0.000 0.887 316 L CB -0.493 41.645 42.059 0.131 0.000 1.021 316 L HN 0.585 8.815 8.230 -0.000 0.000 0.441 317 T N -4.377 110.278 114.554 0.168 0.000 3.107 317 T HA 0.142 4.493 4.350 0.002 0.000 0.249 317 T C 0.617 175.441 174.700 0.206 0.000 1.096 317 T CA -0.147 62.054 62.100 0.169 0.000 1.012 317 T CB 0.012 68.946 68.868 0.111 0.000 0.977 317 T HN -0.043 8.197 8.240 -0.000 0.000 0.527 318 V N 2.059 122.064 119.914 0.152 0.000 2.509 318 V HA 0.620 4.741 4.120 0.002 0.000 0.284 318 V C 1.837 177.900 176.094 -0.052 0.000 1.047 318 V CA -0.248 62.093 62.300 0.069 0.000 0.952 318 V CB 0.758 32.598 31.823 0.029 0.000 0.988 318 V HN 0.472 8.662 8.190 -0.000 0.000 0.469 319 A N 3.437 125.991 122.820 -0.444 0.000 1.903 319 A HA -0.263 4.058 4.320 0.002 0.000 0.219 319 A C 2.247 179.684 177.584 -0.245 0.000 1.191 319 A CA 2.525 53.955 52.037 -1.012 0.000 0.638 319 A CB -1.013 17.075 19.000 -1.520 0.000 0.823 319 A HN 1.006 9.156 8.150 -0.000 0.000 0.451 320 C N -0.190 119.127 119.300 0.028 0.000 2.413 320 C HA -0.152 4.309 4.460 0.002 0.000 0.276 320 C C 2.638 177.687 174.990 0.098 0.000 1.236 320 C CA 1.665 60.793 59.018 0.184 0.000 1.735 320 C CB -1.610 26.172 27.740 0.070 0.000 2.031 320 C HN 0.659 8.889 8.230 -0.000 0.000 0.474 321 N N -0.670 118.061 118.700 0.052 0.000 2.080 321 N HA -0.132 4.609 4.740 0.002 0.000 0.189 321 N C 1.437 176.968 175.510 0.036 0.000 1.036 321 N CA 1.766 54.840 53.050 0.039 0.000 0.846 321 N CB -0.887 37.627 38.487 0.044 0.000 1.015 321 N HN 0.877 9.257 8.380 -0.000 0.000 0.423 322 W N 2.171 123.425 121.300 -0.077 0.000 2.335 322 W HA -0.166 4.495 4.660 0.002 0.000 0.311 322 W C 1.988 178.445 176.519 -0.103 0.000 1.213 322 W CA 1.288 58.596 57.345 -0.062 0.000 1.274 322 W CB -0.372 29.098 29.460 0.017 0.000 1.148 322 W HN -0.220 7.960 8.180 -0.000 0.000 0.498 323 V N 1.196 121.070 119.914 -0.068 0.000 2.307 323 V HA -0.289 3.832 4.120 0.002 0.000 0.245 323 V C 2.529 178.521 176.094 -0.170 0.000 1.045 323 V CA 2.234 64.398 62.300 -0.227 0.000 1.024 323 V CB -1.822 29.675 31.823 -0.545 0.000 0.651 323 V HN 0.335 8.525 8.190 -0.000 0.000 0.449 324 A N 0.381 123.153 122.820 -0.080 0.000 1.908 324 A HA -0.309 4.012 4.320 0.002 0.000 0.218 324 A C 2.070 179.598 177.584 -0.093 0.000 1.181 324 A CA 2.564 54.590 52.037 -0.020 0.000 0.627 324 A CB -0.840 18.187 19.000 0.046 0.000 0.818 324 A HN 0.606 8.756 8.150 -0.000 0.000 0.445 325 N N -1.204 117.386 118.700 -0.183 0.000 2.300 325 N HA -0.069 4.672 4.740 0.002 0.000 0.179 325 N C 1.607 176.896 175.510 -0.367 0.000 1.016 325 N CA 1.866 54.787 53.050 -0.216 0.000 0.876 325 N CB -0.190 38.182 38.487 -0.191 0.000 0.979 325 N HN 0.386 8.766 8.380 -0.000 0.000 0.432 326 T N -1.145 113.015 114.554 -0.656 0.000 2.896 326 T HA 0.051 4.402 4.350 0.002 0.000 0.263 326 T C 0.563 174.718 174.700 -0.909 0.000 1.050 326 T CA 0.930 62.452 62.100 -0.964 0.000 1.140 326 T CB -0.139 67.667 68.868 -1.770 0.000 0.877 326 T HN 0.184 8.424 8.240 -0.000 0.000 0.457 327 F N 0.772 120.508 119.950 -0.357 0.000 2.682 327 F HA 0.421 4.949 4.527 0.002 0.000 0.308 327 F C 0.626 176.337 175.800 -0.150 0.000 1.093 327 F CA -0.721 57.139 58.000 -0.233 0.000 1.244 327 F CB -0.071 38.780 39.000 -0.249 0.000 1.052 327 F HN -0.151 8.149 8.300 -0.000 0.000 0.573 328 K N 1.013 121.393 120.400 -0.032 0.000 3.451 328 K HA -0.220 4.101 4.320 0.002 0.000 0.273 328 K C -0.467 176.144 176.600 0.018 0.000 0.944 328 K CA 0.600 56.877 56.287 -0.016 0.000 0.734 328 K CB -2.219 30.261 32.500 -0.034 0.000 1.437 328 K HN 0.465 8.715 8.250 -0.000 0.000 0.454 329 C N -2.132 117.191 119.300 0.038 0.000 2.994 329 C HA 0.661 5.122 4.460 0.002 0.000 0.304 329 C C 0.276 175.288 174.990 0.037 0.000 1.273 329 C CA -1.721 57.317 59.018 0.033 0.000 1.537 329 C CB 0.900 28.664 27.740 0.041 0.000 2.001 329 C HN 0.456 8.686 8.230 -0.000 0.000 0.471 330 L N 2.595 123.820 121.223 0.003 0.000 2.601 330 L HA 0.425 4.766 4.340 0.002 0.000 0.277 330 L C 0.313 177.175 176.870 -0.013 0.000 1.219 330 L CA 1.530 56.353 54.840 -0.028 0.000 0.915 330 L CB 0.033 42.023 42.059 -0.114 0.000 1.160 330 L HN 1.057 9.287 8.230 -0.000 0.000 0.494 331 S N 5.340 121.054 115.700 0.022 0.000 2.572 331 S HA 0.680 5.151 4.470 0.002 0.000 0.274 331 S C -1.130 173.501 174.600 0.052 0.000 1.150 331 S CA -0.851 57.411 58.200 0.104 0.000 0.944 331 S CB 0.735 64.052 63.200 0.195 0.000 1.071 331 S HN 0.844 9.154 8.310 -0.000 0.000 0.479 332 N N 1.530 120.233 118.700 0.005 0.000 2.396 332 N HA 0.411 5.152 4.740 0.002 0.000 0.275 332 N C -1.549 173.875 175.510 -0.144 0.000 1.218 332 N CA -0.498 52.551 53.050 -0.001 0.000 0.812 332 N CB 2.327 40.876 38.487 0.102 0.000 1.592 332 N HN 0.536 8.916 8.380 -0.000 0.000 0.480 333 T N 1.345 115.830 114.554 -0.115 0.000 2.837 333 T HA 0.433 4.784 4.350 0.002 0.000 0.285 333 T C -0.198 174.360 174.700 -0.237 0.000 0.984 333 T CA -0.340 61.643 62.100 -0.194 0.000 1.049 333 T CB 1.000 69.780 68.868 -0.147 0.000 0.947 333 T HN 0.259 8.499 8.240 -0.000 0.000 0.472 334 L N 3.483 124.483 121.223 -0.371 0.000 2.307 334 L HA 0.621 4.962 4.340 0.002 0.000 0.284 334 L C -0.247 176.350 176.870 -0.454 0.000 1.023 334 L CA -0.119 54.476 54.840 -0.407 0.000 0.810 334 L CB 0.989 42.735 42.059 -0.522 0.000 1.231 334 L HN 0.483 8.713 8.230 -0.000 0.000 0.423 338 F N 0.721 120.604 119.950 -0.111 0.000 2.558 338 F HA 0.079 4.607 4.527 0.002 0.000 0.298 338 F C 2.172 178.138 175.800 0.278 0.000 1.119 338 F CA 0.944 58.950 58.000 0.010 0.000 1.451 338 F CB 0.194 39.028 39.000 -0.276 0.000 1.091 338 F HN 0.204 8.504 8.300 -0.000 0.000 0.563 339 K N -0.845 119.770 120.400 0.358 0.000 2.065 339 K HA 0.077 4.398 4.320 0.002 0.000 0.211 339 K C -0.083 176.660 176.600 0.238 0.000 1.025 339 K CA 0.848 57.324 56.287 0.313 0.000 0.948 339 K CB 0.032 32.663 32.500 0.218 0.000 0.798 339 K HN -0.065 8.185 8.250 -0.000 0.000 0.450 340 D N -1.272 119.228 120.400 0.166 0.000 2.807 340 D HA 0.027 4.668 4.640 0.002 0.000 0.279 340 D C -2.054 174.294 176.300 0.079 0.000 1.247 340 D CA -0.660 53.473 54.000 0.222 0.000 0.749 340 D CB 0.770 41.660 40.800 0.149 0.000 1.264 340 D HN -0.009 8.361 8.370 -0.000 0.000 0.421 341 N N 0.621 119.437 118.700 0.193 0.000 2.415 341 N HA 0.412 5.153 4.740 0.002 0.000 0.246 341 N C 0.585 176.099 175.510 0.007 0.000 1.078 341 N CA 0.392 53.472 53.050 0.049 0.000 0.942 341 N CB 1.180 39.810 38.487 0.240 0.000 1.140 341 N HN 0.430 8.810 8.380 -0.000 0.000 0.501 342 A N 4.270 126.962 122.820 -0.215 0.000 2.076 342 A HA -0.175 4.146 4.320 0.002 0.000 0.220 342 A C 1.703 179.320 177.584 0.054 0.000 1.160 342 A CA 1.147 53.101 52.037 -0.138 0.000 0.653 342 A CB -0.295 18.498 19.000 -0.346 0.000 0.801 342 A HN 0.772 8.922 8.150 -0.000 0.000 0.455 343 N N -0.719 118.069 118.700 0.148 0.000 2.354 343 N HA 0.049 4.790 4.740 0.002 0.000 0.179 343 N C 0.189 175.784 175.510 0.142 0.000 1.021 343 N CA 0.784 53.944 53.050 0.184 0.000 0.887 343 N CB 0.071 38.697 38.487 0.230 0.000 0.974 343 N HN 0.428 8.808 8.380 -0.000 0.000 0.437 344 L N 0.738 122.048 121.223 0.146 0.000 2.511 344 L HA 0.410 4.751 4.340 0.002 0.000 0.252 344 L C -0.621 176.328 176.870 0.133 0.000 1.542 344 L CA -0.477 54.443 54.840 0.134 0.000 0.822 344 L CB 1.155 43.307 42.059 0.155 0.000 1.050 344 L HN -0.125 8.105 8.230 -0.000 0.000 0.516 345 A N 0.334 123.217 122.820 0.105 0.000 2.425 345 A HA 0.381 4.702 4.320 0.002 0.000 0.249 345 A C -0.300 177.342 177.584 0.097 0.000 1.084 345 A CA 0.050 52.146 52.037 0.099 0.000 0.781 345 A CB 0.436 19.481 19.000 0.075 0.000 1.019 345 A HN 0.532 8.682 8.150 -0.000 0.000 0.490 346 D N 2.401 122.863 120.400 0.104 0.000 2.389 346 D HA 0.359 5.000 4.640 0.002 0.000 0.256 346 D C -1.853 174.515 176.300 0.112 0.000 1.239 346 D CA -1.724 52.339 54.000 0.105 0.000 0.925 346 D CB 1.378 42.235 40.800 0.095 0.000 1.145 346 D HN 0.151 8.521 8.370 -0.000 0.000 0.542 347 P HA -0.104 4.316 4.420 -0.000 0.000 0.220 347 P C 1.392 178.797 177.300 0.175 0.000 1.148 347 P CA 0.351 63.525 63.100 0.122 0.000 0.803 347 P CB 0.086 31.854 31.700 0.114 0.000 0.782 348 F N 0.888 120.864 119.950 0.044 0.000 2.146 348 F HA -0.057 4.471 4.527 0.002 0.000 0.298 348 F C 1.950 177.802 175.800 0.087 0.000 1.096 348 F CA 1.679 59.713 58.000 0.057 0.000 1.275 348 F CB -0.272 38.745 39.000 0.030 0.000 1.008 348 F HN -0.118 8.182 8.300 -0.000 0.000 0.480 349 Q N -0.868 118.907 119.800 -0.043 0.000 2.157 349 Q HA 0.262 4.603 4.340 0.002 0.000 0.235 349 Q C 1.139 177.086 176.000 -0.088 0.000 0.803 349 Q CA 0.221 55.919 55.803 -0.175 0.000 0.967 349 Q CB 1.119 29.767 28.738 -0.150 0.000 1.150 349 Q HN 0.469 8.739 8.270 -0.000 0.000 0.482 350 G N 1.960 110.763 108.800 0.006 0.000 2.594 350 G HA2 -0.336 3.625 3.960 0.002 0.000 0.297 350 G HA3 -0.336 3.625 3.960 0.002 0.000 0.297 350 G C -0.521 174.463 174.900 0.140 0.000 1.273 350 G CA -0.009 45.143 45.100 0.086 0.000 0.974 350 G HN 0.368 8.658 8.290 -0.000 0.000 0.552 351 W N 2.179 123.519 121.300 0.067 0.000 2.170 351 W HA 0.505 5.166 4.660 0.002 0.000 0.336 351 W C 0.741 177.328 176.519 0.114 0.000 1.283 351 W CA 0.461 57.883 57.345 0.129 0.000 1.224 351 W CB 0.913 30.469 29.460 0.158 0.000 1.132 351 W HN 1.172 9.352 8.180 -0.000 0.000 0.571 352 S N 3.778 119.207 115.700 -0.452 0.000 2.638 352 S HA 0.487 4.958 4.470 0.002 0.000 0.274 352 S C -2.378 171.992 174.600 -0.384 0.000 1.157 352 S CA -1.287 56.665 58.200 -0.413 0.000 0.826 352 S CB 2.476 65.453 63.200 -0.372 0.000 1.139 352 S HN 0.235 8.545 8.310 -0.000 0.000 0.474 353 P HA 0.013 4.433 4.420 -0.000 0.000 0.217 353 P C 0.908 177.998 177.300 -0.350 0.000 1.150 353 P CA 1.257 63.964 63.100 -0.656 0.000 0.832 353 P CB -0.044 30.718 31.700 -1.564 0.000 0.787 354 E N -0.238 119.766 120.200 -0.327 0.000 2.085 354 E HA -0.171 4.180 4.350 0.002 0.000 0.194 354 E C 2.079 178.614 176.600 -0.110 0.000 0.994 354 E CA 1.282 57.572 56.400 -0.183 0.000 0.801 354 E CB -0.559 29.075 29.700 -0.110 0.000 0.743 354 E HN 0.254 8.614 8.360 -0.000 0.000 0.453 355 R N -0.018 120.308 120.500 -0.290 0.000 2.119 355 R HA 0.084 4.425 4.340 0.002 0.000 0.222 355 R C 2.349 178.567 176.300 -0.137 0.000 1.088 355 R CA 1.093 56.961 56.100 -0.387 0.000 0.984 355 R CB -0.026 29.566 30.300 -1.179 0.000 0.884 355 R HN 0.042 8.312 8.270 -0.000 0.000 0.447 356 S N 0.590 116.230 115.700 -0.099 0.000 2.368 356 S HA -0.097 4.374 4.470 0.002 0.000 0.224 356 S C 2.123 176.887 174.600 0.274 0.000 1.029 356 S CA 1.098 59.472 58.200 0.290 0.000 0.988 356 S CB -0.178 63.209 63.200 0.311 0.000 0.838 356 S HN 0.045 8.355 8.310 -0.000 0.000 0.462 357 V N 0.639 120.635 119.914 0.137 0.000 2.295 357 V HA -0.186 3.935 4.120 0.002 0.000 0.246 357 V C 1.986 178.110 176.094 0.050 0.000 1.049 357 V CA 1.634 63.977 62.300 0.072 0.000 1.024 357 V CB -0.809 30.984 31.823 -0.050 0.000 0.648 357 V HN 0.446 8.636 8.190 -0.000 0.000 0.447 358 Y N -1.377 118.974 120.300 0.085 0.000 2.274 358 Y HA -0.202 4.349 4.550 0.002 0.000 0.290 358 Y C 2.149 178.120 175.900 0.117 0.000 1.145 358 Y CA 1.662 59.806 58.100 0.074 0.000 1.203 358 Y CB -0.502 37.985 38.460 0.045 0.000 0.984 358 Y HN 0.242 8.522 8.280 -0.000 0.000 0.533 359 F N -0.358 119.757 119.950 0.276 0.000 2.456 359 F HA 0.048 4.576 4.527 0.002 0.000 0.298 359 F C 2.287 178.199 175.800 0.187 0.000 1.104 359 F CA 1.058 59.214 58.000 0.260 0.000 1.435 359 F CB -0.453 38.765 39.000 0.363 0.000 1.078 359 F HN -0.027 8.273 8.300 -0.000 0.000 0.546 360 G N -0.327 108.648 108.800 0.291 0.000 2.402 360 G HA2 -0.214 3.747 3.960 0.002 0.000 0.216 360 G HA3 -0.214 3.747 3.960 0.002 0.000 0.216 360 G C 1.526 176.462 174.900 0.060 0.000 1.162 360 G CA 0.803 46.014 45.100 0.184 0.000 0.777 360 G HN 0.391 8.681 8.290 -0.000 0.000 0.539 361 E N 0.667 120.888 120.200 0.035 0.000 2.047 361 E HA -0.007 4.344 4.350 0.002 0.000 0.191 361 E C 2.942 179.501 176.600 -0.068 0.000 0.987 361 E CA 0.735 57.129 56.400 -0.011 0.000 0.799 361 E CB -0.221 29.493 29.700 0.024 0.000 0.752 361 E HN 0.381 8.741 8.360 -0.000 0.000 0.449 362 A N 1.276 124.019 122.820 -0.129 0.000 1.940 362 A HA -0.212 4.109 4.320 0.002 0.000 0.219 362 A C 2.349 179.737 177.584 -0.326 0.000 1.176 362 A CA 1.742 53.609 52.037 -0.282 0.000 0.631 362 A CB -0.525 18.166 19.000 -0.514 0.000 0.814 362 A HN 0.127 8.277 8.150 -0.000 0.000 0.446 363 S N -0.029 115.514 115.700 -0.263 0.000 2.370 363 S HA -0.135 4.336 4.470 0.002 0.000 0.226 363 S C 1.794 176.287 174.600 -0.178 0.000 1.033 363 S CA 1.547 59.622 58.200 -0.209 0.000 1.011 363 S CB -0.492 62.705 63.200 -0.004 0.000 0.852 363 S HN 0.532 8.842 8.310 -0.000 0.000 0.457 364 L N 0.916 122.077 121.223 -0.103 0.000 2.083 364 L HA -0.106 4.235 4.340 0.002 0.000 0.209 364 L C 2.197 179.033 176.870 -0.057 0.000 1.083 364 L CA 1.081 55.891 54.840 -0.049 0.000 0.752 364 L CB -0.624 41.403 42.059 -0.055 0.000 0.899 364 L HN 0.302 8.532 8.230 -0.000 0.000 0.433 365 I N -0.198 120.311 120.570 -0.103 0.000 2.179 365 I HA -0.212 3.959 4.170 0.002 0.000 0.242 365 I C 1.864 177.895 176.117 -0.143 0.000 1.088 365 I CA 0.487 61.722 61.300 -0.109 0.000 1.357 365 I CB -0.466 37.459 38.000 -0.126 0.000 1.051 365 I HN 0.194 8.404 8.210 -0.000 0.000 0.409 369 A N 1.052 123.875 122.820 0.004 0.000 2.024 369 A HA -0.073 4.248 4.320 0.002 0.000 0.220 369 A C 1.619 179.223 177.584 0.034 0.000 1.164 369 A CA 1.951 53.989 52.037 0.002 0.000 0.643 369 A CB -0.188 18.794 19.000 -0.030 0.000 0.806 369 A HN 0.268 8.418 8.150 -0.000 0.000 0.451 370 V N -3.875 116.080 119.914 0.068 0.000 3.427 370 V HA 0.262 4.383 4.120 0.002 0.000 0.305 370 V C 1.635 177.748 176.094 0.032 0.000 1.412 370 V CA 0.254 62.593 62.300 0.066 0.000 1.086 370 V CB -0.342 31.552 31.823 0.118 0.000 0.964 370 V HN 0.206 8.396 8.190 -0.000 0.000 0.439 371 I N 2.183 122.766 120.570 0.021 0.000 2.264 371 I HA -0.164 4.007 4.170 0.002 0.000 0.248 371 I C 1.882 177.996 176.117 -0.005 0.000 1.111 371 I CA 1.765 63.064 61.300 -0.001 0.000 1.382 371 I CB -0.286 37.716 38.000 0.002 0.000 1.060 371 I HN 0.332 8.542 8.210 -0.000 0.000 0.418 372 D N -0.241 120.160 120.400 0.002 0.000 2.333 372 D HA -0.052 4.589 4.640 0.002 0.000 0.208 372 D C 1.987 178.287 176.300 -0.000 0.000 0.984 372 D CA 0.562 54.562 54.000 -0.000 0.000 0.873 372 D CB 0.163 40.965 40.800 0.002 0.000 0.935 372 D HN 0.449 8.819 8.370 -0.000 0.000 0.521 373 K N 0.610 121.012 120.400 0.003 0.000 2.202 373 K HA 0.126 4.447 4.320 0.002 0.000 0.201 373 K C 1.508 178.106 176.600 -0.004 0.000 1.051 373 K CA 0.118 56.406 56.287 0.002 0.000 0.977 373 K CB 0.466 32.972 32.500 0.010 0.000 0.792 373 K HN 0.190 8.440 8.250 -0.000 0.000 0.469 374 I N -0.661 119.905 120.570 -0.007 0.000 3.004 374 I HA 0.314 4.485 4.170 0.002 0.000 0.287 374 I C 0.673 176.782 176.117 -0.014 0.000 1.144 374 I CA -0.001 61.290 61.300 -0.015 0.000 1.353 374 I CB 0.118 38.102 38.000 -0.027 0.000 1.417 374 I HN 0.317 8.527 8.210 -0.000 0.000 0.602 375 G N 3.430 112.223 108.800 -0.011 0.000 2.741 375 G HA2 -0.182 3.779 3.960 0.002 0.000 0.222 375 G HA3 -0.182 3.779 3.960 0.002 0.000 0.222 375 G C -0.725 174.173 174.900 -0.003 0.000 1.364 375 G CA -0.242 44.855 45.100 -0.005 0.000 0.866 375 G HN 0.967 9.257 8.290 -0.000 0.000 0.555 376 Q N 0.000 119.801 119.800 0.001 0.000 2.315 376 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 376 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 376 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 376 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481