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 1bqa_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN ATGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 4.480 4.480 0.000 0.000 0.227 5 M C 0.000 176.207 176.300 -0.156 0.000 1.140 5 M CA 0.000 55.101 55.300 -0.332 0.000 0.988 5 M CB 0.000 32.269 32.600 -0.552 0.000 1.302 6 F N 1.119 121.068 119.950 -0.002 0.000 2.678 6 F HA 0.298 4.836 4.527 0.018 0.000 0.305 6 F C 1.709 177.507 175.800 -0.003 0.000 1.090 6 F CA 0.095 58.093 58.000 -0.002 0.000 1.272 6 F CB -0.489 38.510 39.000 -0.002 0.000 1.060 6 F HN 0.062 8.362 8.300 0.000 0.000 0.576 7 E N 0.613 120.886 120.200 0.123 0.000 2.097 7 E HA -0.237 4.124 4.350 0.019 0.000 0.196 7 E C 1.561 178.200 176.600 0.064 0.000 1.000 7 E CA 1.505 57.949 56.400 0.073 0.000 0.804 7 E CB -0.361 29.355 29.700 0.027 0.000 0.740 7 E HN 0.363 8.723 8.360 0.000 0.000 0.454 8 N N 0.011 118.749 118.700 0.063 0.000 2.280 8 N HA 0.092 4.843 4.740 0.019 0.000 0.192 8 N C -0.400 175.139 175.510 0.049 0.000 1.109 8 N CA -0.198 52.880 53.050 0.046 0.000 0.855 8 N CB 0.366 38.873 38.487 0.032 0.000 0.974 8 N HN 0.101 8.481 8.380 0.000 0.000 0.482 9 I N 2.100 122.712 120.570 0.070 0.000 2.668 9 I HA -0.074 4.107 4.170 0.019 0.000 0.285 9 I C 0.686 176.817 176.117 0.023 0.000 1.168 9 I CA 0.279 61.608 61.300 0.049 0.000 1.424 9 I CB 0.685 38.715 38.000 0.051 0.000 1.377 9 I HN 0.047 8.257 8.210 0.000 0.000 0.560 10 T N 3.785 118.346 114.554 0.011 0.000 2.882 10 T HA 0.617 4.978 4.350 0.019 0.000 0.287 10 T C 0.185 174.881 174.700 -0.007 0.000 0.992 10 T CA -1.053 61.049 62.100 0.003 0.000 1.076 10 T CB 1.522 70.390 68.868 0.001 0.000 0.961 10 T HN 0.663 8.903 8.240 0.000 0.000 0.490 11 A N 2.225 125.040 122.820 -0.009 0.000 2.498 11 A HA 0.573 4.904 4.320 0.019 0.000 0.239 11 A C 0.927 178.500 177.584 -0.019 0.000 1.068 11 A CA -0.335 51.693 52.037 -0.016 0.000 0.766 11 A CB -0.651 18.342 19.000 -0.013 0.000 1.003 11 A HN 1.415 9.565 8.150 0.000 0.000 0.497 12 A N 3.591 126.396 122.820 -0.026 0.000 2.407 12 A HA 0.574 4.905 4.320 0.019 0.000 0.248 12 A C -1.697 175.872 177.584 -0.025 0.000 1.082 12 A CA -1.041 50.979 52.037 -0.029 0.000 0.785 12 A CB -0.763 18.215 19.000 -0.036 0.000 1.020 12 A HN 0.760 8.910 8.150 0.000 0.000 0.489 13 P HA 0.381 4.801 4.420 0.000 0.000 0.270 13 P C -0.420 176.865 177.300 -0.025 0.000 1.223 13 P CA -0.009 63.077 63.100 -0.023 0.000 0.785 13 P CB 0.493 32.177 31.700 -0.026 0.000 0.923 14 A N 1.487 124.296 122.820 -0.018 0.000 2.301 14 A HA 0.241 4.572 4.320 0.019 0.000 0.298 14 A C 0.065 177.637 177.584 -0.019 0.000 1.185 14 A CA -0.628 51.399 52.037 -0.016 0.000 0.830 14 A CB 0.008 19.004 19.000 -0.006 0.000 1.112 14 A HN 0.523 8.673 8.150 0.000 0.000 0.508 15 D N 3.488 123.873 120.400 -0.025 0.000 2.443 15 D HA 0.110 4.761 4.640 0.019 0.000 0.239 15 D C -1.383 174.909 176.300 -0.012 0.000 1.136 15 D CA -0.539 53.442 54.000 -0.031 0.000 0.879 15 D CB 0.988 41.766 40.800 -0.037 0.000 1.195 15 D HN 0.271 8.641 8.370 0.000 0.000 0.443 16 P HA -0.056 4.364 4.420 0.000 0.000 0.217 16 P C 1.774 179.086 177.300 0.020 0.000 1.154 16 P CA 0.346 63.453 63.100 0.011 0.000 0.841 16 P CB 0.142 31.849 31.700 0.012 0.000 0.788 17 I N -0.854 119.719 120.570 0.004 0.000 2.087 17 I HA -0.288 3.893 4.170 0.019 0.000 0.240 17 I C 1.841 177.968 176.117 0.016 0.000 1.054 17 I CA 2.062 63.367 61.300 0.009 0.000 1.311 17 I CB -1.111 36.886 38.000 -0.005 0.000 1.024 17 I HN -0.245 7.965 8.210 0.000 0.000 0.402 18 L N 1.512 122.740 121.223 0.007 0.000 2.127 18 L HA -0.076 4.275 4.340 0.019 0.000 0.211 18 L C 2.601 179.485 176.870 0.024 0.000 1.089 18 L CA 2.114 56.960 54.840 0.010 0.000 0.757 18 L CB -1.606 40.453 42.059 -0.000 0.000 0.899 18 L HN 0.504 8.734 8.230 0.000 0.000 0.434 19 G N -1.334 107.483 108.800 0.029 0.000 2.421 19 G HA2 -0.156 3.816 3.960 0.019 0.000 0.217 19 G HA3 -0.156 3.816 3.960 0.019 0.000 0.217 19 G C 1.607 176.554 174.900 0.078 0.000 1.143 19 G CA 0.151 45.278 45.100 0.044 0.000 0.784 19 G HN 0.244 8.534 8.290 0.000 0.000 0.541 20 L N 0.638 121.914 121.223 0.089 0.000 2.056 20 L HA 0.010 4.361 4.340 0.019 0.000 0.207 20 L C 3.212 180.168 176.870 0.144 0.000 1.078 20 L CA 1.683 56.614 54.840 0.153 0.000 0.749 20 L CB -0.728 41.413 42.059 0.136 0.000 0.901 20 L HN 0.330 8.560 8.230 0.000 0.000 0.433 21 A N -0.080 122.787 122.820 0.078 0.000 1.859 21 A HA -0.287 4.044 4.320 0.019 0.000 0.217 21 A C 1.930 179.569 177.584 0.092 0.000 1.198 21 A CA 2.115 54.193 52.037 0.069 0.000 0.629 21 A CB -0.839 18.182 19.000 0.034 0.000 0.830 21 A HN 0.479 8.629 8.150 0.000 0.000 0.446 22 D N -0.416 120.023 120.400 0.065 0.000 2.133 22 D HA -0.159 4.492 4.640 0.019 0.000 0.195 22 D C 1.952 178.285 176.300 0.054 0.000 0.997 22 D CA 1.335 55.363 54.000 0.047 0.000 0.840 22 D CB -0.229 40.592 40.800 0.036 0.000 0.947 22 D HN 0.433 8.803 8.370 0.000 0.000 0.452 23 L N -0.067 121.218 121.223 0.105 0.000 2.056 23 L HA -0.180 4.172 4.340 0.019 0.000 0.207 23 L C 2.395 179.329 176.870 0.106 0.000 1.078 23 L CA 0.744 55.675 54.840 0.153 0.000 0.749 23 L CB -0.227 41.994 42.059 0.269 0.000 0.901 23 L HN -0.028 8.202 8.230 0.000 0.000 0.433 24 F N 0.767 120.599 119.950 -0.197 0.000 2.102 24 F HA -0.270 4.269 4.527 0.019 0.000 0.298 24 F C 2.768 178.394 175.800 -0.289 0.000 1.105 24 F CA 1.930 59.567 58.000 -0.605 0.000 1.239 24 F CB -0.391 38.188 39.000 -0.702 0.000 0.991 24 F HN -0.049 8.251 8.300 0.000 0.000 0.474 25 R N 0.826 121.196 120.500 -0.218 0.000 2.097 25 R HA -0.159 4.192 4.340 0.019 0.000 0.236 25 R C 1.915 178.072 176.300 -0.238 0.000 1.135 25 R CA 1.657 57.611 56.100 -0.244 0.000 0.934 25 R CB -0.954 29.307 30.300 -0.066 0.000 0.846 25 R HN 0.299 8.569 8.270 0.000 0.000 0.431 26 A N 0.887 123.628 122.820 -0.131 0.000 2.215 26 A HA -0.039 4.292 4.320 0.019 0.000 0.208 26 A C -0.165 177.361 177.584 -0.096 0.000 1.296 26 A CA 0.369 52.353 52.037 -0.088 0.000 0.918 26 A CB -0.445 18.535 19.000 -0.032 0.000 0.806 26 A HN 0.414 8.564 8.150 0.000 0.000 0.490 27 D N 0.384 120.672 120.400 -0.186 0.000 2.329 27 D HA 0.152 4.804 4.640 0.019 0.000 0.232 27 D C 0.744 176.949 176.300 -0.158 0.000 1.088 27 D CA -0.265 53.649 54.000 -0.143 0.000 0.835 27 D CB 0.848 41.555 40.800 -0.154 0.000 1.078 27 D HN 0.467 8.837 8.370 0.000 0.000 0.495 28 E N 2.666 122.816 120.200 -0.083 0.000 2.274 28 E HA -0.073 4.289 4.350 0.019 0.000 0.194 28 E C 0.541 177.105 176.600 -0.059 0.000 0.996 28 E CA 0.118 56.475 56.400 -0.071 0.000 0.840 28 E CB 0.294 29.968 29.700 -0.043 0.000 0.772 28 E HN 0.253 8.613 8.360 0.000 0.000 0.491 29 R N 1.701 122.177 120.500 -0.039 0.000 2.802 29 R HA -0.062 4.289 4.340 0.019 0.000 0.264 29 R C -1.407 174.880 176.300 -0.022 0.000 0.996 29 R CA -0.121 55.972 56.100 -0.010 0.000 1.123 29 R CB 0.118 30.439 30.300 0.035 0.000 0.996 29 R HN 0.044 8.314 8.270 0.000 0.000 0.444 30 P HA 0.079 4.499 4.420 0.000 0.000 0.214 30 P C 0.587 177.910 177.300 0.040 0.000 1.144 30 P CA 0.769 63.874 63.100 0.009 0.000 0.884 30 P CB 0.133 31.840 31.700 0.013 0.000 0.784 31 G N 1.304 110.144 108.800 0.066 0.000 3.155 31 G HA2 -0.042 3.930 3.960 0.019 0.000 0.213 31 G HA3 -0.042 3.930 3.960 0.019 0.000 0.213 31 G C 0.318 175.307 174.900 0.148 0.000 1.196 31 G CA -0.313 44.844 45.100 0.096 0.000 0.846 31 G HN 0.389 8.679 8.290 0.000 0.000 0.516 32 K N 0.126 120.625 120.400 0.165 0.000 2.485 32 K HA 0.343 4.674 4.320 0.019 0.000 0.277 32 K C -0.600 176.219 176.600 0.365 0.000 0.990 32 K CA 0.200 56.669 56.287 0.304 0.000 0.994 32 K CB 0.991 33.638 32.500 0.246 0.000 0.906 32 K HN 0.065 8.315 8.250 0.000 0.000 0.488 33 I N 1.730 122.523 120.570 0.372 0.000 2.533 33 I HA 0.151 4.332 4.170 0.019 0.000 0.290 33 I C -0.849 175.260 176.117 -0.013 0.000 1.056 33 I CA -1.056 60.339 61.300 0.157 0.000 1.057 33 I CB 2.022 40.085 38.000 0.105 0.000 1.240 33 I HN 0.651 8.861 8.210 0.000 0.000 0.423 34 N N 6.529 125.004 118.700 -0.375 0.000 2.511 34 N HA 0.416 5.167 4.740 0.019 0.000 0.249 34 N C -0.250 175.089 175.510 -0.284 0.000 0.971 34 N CA -0.316 52.376 53.050 -0.596 0.000 0.938 34 N CB 1.105 38.797 38.487 -1.324 0.000 1.131 34 N HN 0.601 8.981 8.380 0.000 0.000 0.505 35 L N 1.585 122.730 121.223 -0.130 0.000 2.700 35 L HA 0.381 4.732 4.340 0.019 0.000 0.234 35 L C 1.655 178.498 176.870 -0.044 0.000 1.156 35 L CA -0.109 54.675 54.840 -0.093 0.000 0.946 35 L CB 0.610 42.624 42.059 -0.073 0.000 1.216 35 L HN 0.527 8.757 8.230 0.000 0.000 0.493 36 G N 0.716 109.484 108.800 -0.054 0.000 3.189 36 G HA2 0.204 4.175 3.960 0.019 0.000 0.225 36 G HA3 0.204 4.175 3.960 0.019 0.000 0.225 36 G C 0.736 175.626 174.900 -0.017 0.000 1.159 36 G CA -0.290 44.805 45.100 -0.009 0.000 0.763 36 G HN 0.314 8.604 8.290 0.000 0.000 0.549 37 I N -2.577 117.962 120.570 -0.051 0.000 2.882 37 I HA 0.623 4.804 4.170 0.019 0.000 0.286 37 I C 1.214 177.381 176.117 0.084 0.000 1.139 37 I CA -0.213 61.064 61.300 -0.039 0.000 1.379 37 I CB 1.257 39.192 38.000 -0.108 0.000 1.410 37 I HN -0.125 8.085 8.210 0.000 0.000 0.594 38 G N 3.246 112.095 108.800 0.081 0.000 3.377 38 G HA2 0.465 4.436 3.960 0.019 0.000 0.257 38 G HA3 0.465 4.436 3.960 0.019 0.000 0.257 38 G C 0.132 175.131 174.900 0.165 0.000 1.038 38 G CA 0.437 45.678 45.100 0.235 0.000 0.809 38 G HN 0.729 9.019 8.290 0.000 0.000 0.526 39 V N -3.241 116.666 119.914 -0.011 0.000 3.113 39 V HA 0.747 4.878 4.120 0.019 0.000 0.316 39 V C -0.372 175.726 176.094 0.007 0.000 1.125 39 V CA -2.035 60.213 62.300 -0.087 0.000 1.026 39 V CB 1.530 33.038 31.823 -0.526 0.000 1.080 39 V HN 0.114 8.304 8.190 0.000 0.000 0.444 40 Y N 1.389 121.737 120.300 0.079 0.000 2.379 40 Y HA 0.567 5.128 4.550 0.019 0.000 0.337 40 Y C 0.230 176.160 175.900 0.051 0.000 1.238 40 Y CA 0.194 58.352 58.100 0.095 0.000 1.405 40 Y CB 0.750 39.365 38.460 0.258 0.000 1.310 40 Y HN 0.801 9.081 8.280 0.000 0.000 0.569 41 K N 4.252 124.081 120.400 -0.953 0.000 2.501 41 K HA 0.196 4.527 4.320 0.019 0.000 0.252 41 K C -1.349 174.718 176.600 -0.889 0.000 0.934 41 K CA -1.008 54.901 56.287 -0.629 0.000 0.797 41 K CB 1.466 33.753 32.500 -0.355 0.000 1.270 41 K HN 0.801 9.051 8.250 0.000 0.000 0.431 42 D N 1.277 121.469 120.400 -0.346 0.000 2.447 42 D HA -0.053 4.598 4.640 0.019 0.000 0.265 42 D C 1.100 177.337 176.300 -0.106 0.000 1.250 42 D CA -0.175 53.749 54.000 -0.126 0.000 1.046 42 D CB 0.531 41.390 40.800 0.098 0.000 1.095 42 D HN 0.560 8.930 8.370 0.000 0.000 0.555 43 E N -0.503 119.680 120.200 -0.028 0.000 2.219 43 E HA -0.255 4.107 4.350 0.019 0.000 0.198 43 E C 1.421 178.006 176.600 -0.026 0.000 0.998 43 E CA 2.045 58.430 56.400 -0.026 0.000 0.818 43 E CB -1.176 28.525 29.700 0.002 0.000 0.741 43 E HN 0.624 8.984 8.360 0.000 0.000 0.477 44 T N -3.175 111.369 114.554 -0.017 0.000 3.129 44 T HA 0.355 4.717 4.350 0.019 0.000 0.251 44 T C 1.363 176.049 174.700 -0.022 0.000 1.117 44 T CA 0.675 62.769 62.100 -0.011 0.000 1.034 44 T CB -0.110 68.760 68.868 0.004 0.000 0.968 44 T HN 0.435 8.675 8.240 0.000 0.000 0.526 45 G N 1.833 110.603 108.800 -0.050 0.000 2.132 45 G HA2 -0.198 3.773 3.960 0.019 0.000 0.228 45 G HA3 -0.198 3.773 3.960 0.019 0.000 0.228 45 G C -0.217 174.651 174.900 -0.053 0.000 1.000 45 G CA 0.237 45.298 45.100 -0.064 0.000 0.693 45 G HN 0.952 9.242 8.290 0.000 0.000 0.515 46 K N -1.291 119.084 120.400 -0.041 0.000 2.395 46 K HA 0.806 5.137 4.320 0.019 0.000 0.245 46 K C -0.748 175.859 176.600 0.013 0.000 1.017 46 K CA -0.903 55.378 56.287 -0.010 0.000 0.852 46 K CB 1.652 34.163 32.500 0.017 0.000 1.311 46 K HN -0.003 8.247 8.250 0.000 0.000 0.452 47 T N 2.937 117.520 114.554 0.049 0.000 3.332 47 T HA 0.249 4.610 4.350 0.019 0.000 0.385 47 T C -2.153 172.644 174.700 0.161 0.000 1.695 47 T CA -1.120 61.058 62.100 0.131 0.000 1.397 47 T CB 0.198 69.113 68.868 0.080 0.000 1.100 47 T HN 0.512 8.752 8.240 0.000 0.000 0.669 48 P HA 0.350 4.770 4.420 0.000 0.000 0.274 48 P C -0.438 176.957 177.300 0.158 0.000 1.260 48 P CA -0.493 62.690 63.100 0.138 0.000 0.793 48 P CB 0.711 32.482 31.700 0.120 0.000 1.048 49 V N 1.240 121.229 119.914 0.124 0.000 2.465 49 V HA 0.076 4.208 4.120 0.019 0.000 0.279 49 V C 0.779 176.936 176.094 0.104 0.000 1.045 49 V CA -0.717 61.656 62.300 0.121 0.000 0.938 49 V CB 0.654 32.538 31.823 0.102 0.000 0.986 49 V HN 0.356 8.546 8.190 0.000 0.000 0.467 50 L N 4.322 125.609 121.223 0.106 0.000 2.483 50 L HA 0.109 4.460 4.340 0.019 0.000 0.276 50 L C 1.771 178.685 176.870 0.074 0.000 1.213 50 L CA 0.982 55.874 54.840 0.087 0.000 0.843 50 L CB 0.432 42.551 42.059 0.101 0.000 1.107 50 L HN 0.795 9.025 8.230 0.000 0.000 0.487 51 T N -0.068 114.520 114.554 0.057 0.000 2.746 51 T HA -0.156 4.205 4.350 0.019 0.000 0.267 51 T C 1.845 176.576 174.700 0.052 0.000 1.039 51 T CA 1.693 63.821 62.100 0.048 0.000 1.142 51 T CB -0.094 68.793 68.868 0.032 0.000 0.866 51 T HN 0.843 9.083 8.240 0.000 0.000 0.444 52 S N 1.337 117.074 115.700 0.063 0.000 2.383 52 S HA -0.097 4.384 4.470 0.019 0.000 0.229 52 S C 2.160 176.792 174.600 0.054 0.000 1.030 52 S CA 0.936 59.175 58.200 0.066 0.000 1.002 52 S CB -0.952 62.318 63.200 0.115 0.000 0.829 52 S HN 0.299 8.608 8.310 0.000 0.000 0.467 53 V N 1.906 121.861 119.914 0.070 0.000 2.307 53 V HA -0.110 4.021 4.120 0.019 0.000 0.245 53 V C 2.755 178.878 176.094 0.048 0.000 1.045 53 V CA 2.090 64.424 62.300 0.057 0.000 1.024 53 V CB -0.707 31.166 31.823 0.083 0.000 0.651 53 V HN 0.378 8.568 8.190 0.000 0.000 0.449 54 K N 0.353 120.789 120.400 0.060 0.000 2.063 54 K HA -0.168 4.164 4.320 0.019 0.000 0.208 54 K C 2.113 178.748 176.600 0.058 0.000 1.048 54 K CA 1.524 57.849 56.287 0.062 0.000 0.928 54 K CB -0.211 32.324 32.500 0.058 0.000 0.713 54 K HN 0.401 8.651 8.250 0.000 0.000 0.442 55 K N -0.552 119.878 120.400 0.049 0.000 2.057 55 K HA -0.083 4.248 4.320 0.019 0.000 0.207 55 K C 2.128 178.764 176.600 0.060 0.000 1.049 55 K CA 1.256 57.572 56.287 0.049 0.000 0.931 55 K CB -0.194 32.325 32.500 0.032 0.000 0.714 55 K HN 0.171 8.421 8.250 0.000 0.000 0.440 56 A N 1.777 124.616 122.820 0.032 0.000 1.902 56 A HA -0.210 4.121 4.320 0.019 0.000 0.217 56 A C 1.901 179.533 177.584 0.079 0.000 1.181 56 A CA 1.493 53.543 52.037 0.022 0.000 0.623 56 A CB -0.385 18.587 19.000 -0.046 0.000 0.818 56 A HN 0.294 8.444 8.150 0.000 0.000 0.443 57 E N -0.990 119.246 120.200 0.059 0.000 2.153 57 E HA -0.258 4.104 4.350 0.019 0.000 0.194 57 E C 2.201 178.871 176.600 0.116 0.000 0.988 57 E CA 1.379 57.840 56.400 0.101 0.000 0.811 57 E CB -0.089 29.694 29.700 0.137 0.000 0.746 57 E HN 0.762 9.122 8.360 0.000 0.000 0.466 58 Q N 0.272 120.135 119.800 0.105 0.000 2.079 58 Q HA -0.212 4.139 4.340 0.019 0.000 0.200 58 Q C 1.883 177.941 176.000 0.096 0.000 0.974 58 Q CA 1.401 57.256 55.803 0.087 0.000 0.840 58 Q CB -0.471 28.313 28.738 0.078 0.000 0.898 58 Q HN 0.394 8.664 8.270 0.000 0.000 0.430 59 Y N 0.259 120.561 120.300 0.004 0.000 2.165 59 Y HA -0.206 4.355 4.550 0.018 0.000 0.286 59 Y C 1.602 177.501 175.900 -0.003 0.000 1.155 59 Y CA 1.888 59.986 58.100 -0.003 0.000 1.164 59 Y CB -0.105 38.348 38.460 -0.012 0.000 0.978 59 Y HN 0.168 8.448 8.280 0.000 0.000 0.513 60 L N -0.828 120.447 121.223 0.087 0.000 2.056 60 L HA -0.196 4.155 4.340 0.019 0.000 0.207 60 L C 2.417 179.259 176.870 -0.046 0.000 1.078 60 L CA 1.057 55.900 54.840 0.005 0.000 0.749 60 L CB -0.743 41.366 42.059 0.083 0.000 0.901 60 L HN 0.321 8.551 8.230 0.000 0.000 0.433 61 L N 0.146 121.367 121.223 -0.003 0.000 2.042 61 L HA -0.230 4.121 4.340 0.019 0.000 0.210 61 L C 2.314 179.146 176.870 -0.063 0.000 1.076 61 L CA 1.876 56.706 54.840 -0.017 0.000 0.749 61 L CB -0.391 41.672 42.059 0.007 0.000 0.893 61 L HN 0.219 8.449 8.230 0.000 0.000 0.432 62 E N -1.118 119.020 120.200 -0.103 0.000 2.216 62 E HA -0.066 4.296 4.350 0.019 0.000 0.192 62 E C 1.496 177.983 176.600 -0.188 0.000 0.988 62 E CA 0.890 57.212 56.400 -0.129 0.000 0.834 62 E CB 0.012 29.636 29.700 -0.126 0.000 0.772 62 E HN 0.618 8.978 8.360 0.000 0.000 0.479 63 N N 0.288 118.813 118.700 -0.290 0.000 2.368 63 N HA 0.025 4.777 4.740 0.019 0.000 0.178 63 N C 0.395 175.802 175.510 -0.172 0.000 1.076 63 N CA 0.081 52.953 53.050 -0.297 0.000 0.889 63 N CB 0.638 38.791 38.487 -0.556 0.000 1.040 63 N HN 0.147 8.527 8.380 0.000 0.000 0.463 67 T N 0.279 114.811 114.554 -0.036 0.000 2.830 67 T HA 0.573 4.934 4.350 0.019 0.000 0.322 67 T C -1.660 173.013 174.700 -0.046 0.000 1.501 67 T CA -0.553 61.523 62.100 -0.040 0.000 1.036 67 T CB 2.145 70.993 68.868 -0.033 0.000 1.379 67 T HN 0.108 8.348 8.240 0.000 0.000 0.493 68 K N 1.785 122.145 120.400 -0.066 0.000 2.618 68 K HA 0.306 4.637 4.320 0.019 0.000 0.207 68 K C 0.272 176.795 176.600 -0.128 0.000 1.058 68 K CA -0.457 55.780 56.287 -0.083 0.000 1.086 68 K CB 0.195 32.642 32.500 -0.088 0.000 0.827 68 K HN 0.403 8.653 8.250 0.000 0.000 0.481 69 N N 0.832 119.471 118.700 -0.102 0.000 2.407 69 N HA -0.104 4.647 4.740 0.019 0.000 0.250 69 N C -0.610 174.864 175.510 -0.060 0.000 1.236 69 N CA 0.320 53.303 53.050 -0.112 0.000 0.879 69 N CB 0.306 38.775 38.487 -0.029 0.000 1.088 69 N HN -0.037 8.343 8.380 0.000 0.000 0.450 70 Y N 1.471 121.772 120.300 0.002 0.000 2.993 70 Y HA -0.078 4.486 4.550 0.023 0.000 0.340 70 Y C 0.960 176.863 175.900 0.005 0.000 1.273 70 Y CA 0.529 58.631 58.100 0.005 0.000 1.545 70 Y CB 0.131 38.595 38.460 0.007 0.000 1.275 70 Y HN 0.307 8.587 8.280 0.000 0.000 0.617 71 L N 1.917 123.257 121.223 0.195 0.000 2.431 71 L HA 0.501 4.852 4.340 0.019 0.000 0.260 71 L C 1.171 178.100 176.870 0.098 0.000 1.098 71 L CA -0.722 54.183 54.840 0.107 0.000 0.800 71 L CB 0.498 42.596 42.059 0.066 0.000 1.210 71 L HN 0.800 9.030 8.230 0.000 0.000 0.465 72 G N -0.124 108.718 108.800 0.070 0.000 2.636 72 G HA2 0.210 4.181 3.960 0.019 0.000 0.246 72 G HA3 0.210 4.181 3.960 0.019 0.000 0.246 72 G C 0.978 175.903 174.900 0.042 0.000 1.216 72 G CA -0.468 44.663 45.100 0.051 0.000 0.854 72 G HN 0.657 8.947 8.290 0.000 0.000 0.572 73 I N 0.375 120.948 120.570 0.004 0.000 2.248 73 I HA -0.193 3.988 4.170 0.019 0.000 0.248 73 I C 1.996 178.126 176.117 0.021 0.000 1.107 73 I CA 1.690 62.976 61.300 -0.024 0.000 1.373 73 I CB -0.170 37.772 38.000 -0.097 0.000 1.055 73 I HN 0.565 8.775 8.210 0.000 0.000 0.418 74 D N 0.489 120.926 120.400 0.061 0.000 2.340 74 D HA 0.173 4.824 4.640 0.019 0.000 0.220 74 D C 1.130 177.527 176.300 0.161 0.000 1.039 74 D CA 0.798 54.892 54.000 0.156 0.000 0.866 74 D CB -0.189 40.810 40.800 0.333 0.000 0.913 74 D HN 0.405 8.775 8.370 0.000 0.000 0.523 75 G N 0.932 109.794 108.800 0.102 0.000 2.584 75 G HA2 -0.242 3.729 3.960 0.019 0.000 0.229 75 G HA3 -0.242 3.729 3.960 0.019 0.000 0.229 75 G C -0.376 174.564 174.900 0.066 0.000 1.320 75 G CA -0.329 44.804 45.100 0.055 0.000 0.891 75 G HN 0.310 8.600 8.290 0.000 0.000 0.573 76 I N 2.874 123.462 120.570 0.029 0.000 2.517 76 I HA 0.152 4.333 4.170 0.019 0.000 0.285 76 I C -0.891 175.309 176.117 0.138 0.000 1.106 76 I CA -1.349 59.989 61.300 0.063 0.000 1.402 76 I CB 1.280 39.294 38.000 0.023 0.000 1.399 76 I HN 0.292 8.502 8.210 0.000 0.000 0.535 77 P HA -0.179 4.241 4.420 0.000 0.000 0.214 77 P C 1.125 178.473 177.300 0.080 0.000 1.163 77 P CA 1.360 64.515 63.100 0.090 0.000 0.883 77 P CB 0.198 31.934 31.700 0.061 0.000 0.788 78 E N -1.282 118.956 120.200 0.063 0.000 2.171 78 E HA -0.198 4.163 4.350 0.019 0.000 0.197 78 E C 1.785 178.401 176.600 0.026 0.000 0.997 78 E CA 0.929 57.346 56.400 0.030 0.000 0.810 78 E CB -1.228 28.481 29.700 0.015 0.000 0.738 78 E HN 0.274 8.634 8.360 0.000 0.000 0.467 79 F N 0.816 120.720 119.950 -0.077 0.000 2.134 79 F HA -0.059 4.478 4.527 0.017 0.000 0.299 79 F C 2.151 177.914 175.800 -0.061 0.000 1.097 79 F CA 1.766 59.699 58.000 -0.112 0.000 1.264 79 F CB -0.540 38.390 39.000 -0.117 0.000 1.001 79 F HN 0.047 8.347 8.300 0.000 0.000 0.479 80 G N 0.762 109.602 108.800 0.067 0.000 2.421 80 G HA2 -0.278 3.693 3.960 0.019 0.000 0.216 80 G HA3 -0.278 3.693 3.960 0.019 0.000 0.216 80 G C 1.644 176.485 174.900 -0.097 0.000 1.171 80 G CA 0.881 45.976 45.100 -0.010 0.000 0.775 80 G HN 0.498 8.788 8.290 0.000 0.000 0.543 81 R N -0.366 120.097 120.500 -0.061 0.000 2.081 81 R HA 0.001 4.352 4.340 0.019 0.000 0.235 81 R C 2.436 178.678 176.300 -0.095 0.000 1.131 81 R CA 1.530 57.597 56.100 -0.056 0.000 0.960 81 R CB -1.289 28.995 30.300 -0.027 0.000 0.856 81 R HN 0.281 8.551 8.270 0.000 0.000 0.436 82 C N 0.892 120.103 119.300 -0.149 0.000 2.425 82 C HA -0.030 4.441 4.460 0.019 0.000 0.277 82 C C 2.660 177.528 174.990 -0.205 0.000 1.280 82 C CA 1.300 60.214 59.018 -0.174 0.000 1.744 82 C CB -0.879 26.723 27.740 -0.230 0.000 1.989 82 C HN 0.614 8.844 8.230 0.000 0.000 0.491 83 T N 0.387 114.755 114.554 -0.310 0.000 2.821 83 T HA -0.184 4.177 4.350 0.019 0.000 0.267 83 T C 1.845 176.415 174.700 -0.218 0.000 1.046 83 T CA 1.331 63.267 62.100 -0.273 0.000 1.139 83 T CB -0.255 68.377 68.868 -0.392 0.000 0.871 83 T HN 0.644 8.884 8.240 0.000 0.000 0.454 84 Q N 0.611 120.311 119.800 -0.167 0.000 2.079 84 Q HA -0.107 4.244 4.340 0.019 0.000 0.200 84 Q C 2.406 178.345 176.000 -0.101 0.000 0.974 84 Q CA 1.218 56.943 55.803 -0.129 0.000 0.840 84 Q CB -0.113 28.660 28.738 0.059 0.000 0.898 84 Q HN 0.618 8.888 8.270 0.000 0.000 0.430 85 E N 0.434 120.606 120.200 -0.045 0.000 2.077 85 E HA -0.203 4.159 4.350 0.019 0.000 0.193 85 E C 1.963 178.543 176.600 -0.032 0.000 0.989 85 E CA 0.745 57.141 56.400 -0.007 0.000 0.800 85 E CB -0.052 29.645 29.700 -0.006 0.000 0.746 85 E HN 0.137 8.497 8.360 0.000 0.000 0.452 86 L N 0.585 121.771 121.223 -0.063 0.000 2.083 86 L HA -0.186 4.165 4.340 0.019 0.000 0.209 86 L C 2.016 178.839 176.870 -0.078 0.000 1.083 86 L CA 1.293 56.112 54.840 -0.035 0.000 0.752 86 L CB -0.216 41.839 42.059 -0.006 0.000 0.899 86 L HN 0.115 8.345 8.230 0.000 0.000 0.433 87 L N -1.968 119.108 121.223 -0.245 0.000 2.049 87 L HA -0.069 4.282 4.340 0.019 0.000 0.203 87 L C 1.928 178.561 176.870 -0.396 0.000 1.074 87 L CA 1.782 56.367 54.840 -0.425 0.000 0.749 87 L CB -0.906 40.561 42.059 -0.985 0.000 0.907 87 L HN 0.160 8.390 8.230 0.000 0.000 0.439 88 F N -0.528 119.416 119.950 -0.011 0.000 2.749 88 F HA 0.533 5.070 4.527 0.017 0.000 0.300 88 F C 1.345 177.134 175.800 -0.018 0.000 1.103 88 F CA -0.109 57.873 58.000 -0.031 0.000 1.342 88 F CB -0.899 38.080 39.000 -0.036 0.000 1.098 88 F HN 0.092 8.392 8.300 0.000 0.000 0.586 89 G N 1.551 110.416 108.800 0.109 0.000 2.728 89 G HA2 -0.233 3.738 3.960 0.019 0.000 0.686 89 G HA3 -0.233 3.738 3.960 0.019 0.000 0.686 89 G C -0.416 174.531 174.900 0.078 0.000 1.337 89 G CA -0.915 44.229 45.100 0.073 0.000 0.861 89 G HN 0.227 8.517 8.290 0.000 0.000 0.597 90 K N 0.527 120.956 120.400 0.048 0.000 2.295 90 K HA 0.475 4.806 4.320 0.019 0.000 0.270 90 K C 1.562 178.183 176.600 0.035 0.000 1.011 90 K CA 1.093 57.404 56.287 0.040 0.000 0.953 90 K CB 0.424 32.938 32.500 0.025 0.000 0.956 90 K HN 2.253 10.503 8.250 0.000 0.000 0.477 91 G N 1.233 110.051 108.800 0.029 0.000 2.176 91 G HA2 -0.276 3.695 3.960 0.019 0.000 0.253 91 G HA3 -0.276 3.695 3.960 0.019 0.000 0.253 91 G C 0.116 175.027 174.900 0.018 0.000 0.979 91 G CA 0.430 45.541 45.100 0.019 0.000 0.641 91 G HN 0.645 8.935 8.290 0.000 0.000 0.530 92 S N 0.373 116.092 115.700 0.033 0.000 2.549 92 S HA 0.568 5.049 4.470 0.019 0.000 0.286 92 S C 1.902 176.492 174.600 -0.016 0.000 1.314 92 S CA 0.693 58.905 58.200 0.020 0.000 1.062 92 S CB 1.032 64.272 63.200 0.067 0.000 0.865 92 S HN 1.649 9.959 8.310 0.000 0.000 0.498 93 A N 5.024 127.820 122.820 -0.040 0.000 1.972 93 A HA -0.022 4.310 4.320 0.019 0.000 0.219 93 A C 1.964 179.499 177.584 -0.081 0.000 1.169 93 A CA 1.200 53.207 52.037 -0.051 0.000 0.635 93 A CB -0.688 18.283 19.000 -0.050 0.000 0.810 93 A HN 0.787 8.937 8.150 0.000 0.000 0.446 94 L N -0.338 120.799 121.223 -0.144 0.000 2.127 94 L HA -0.172 4.179 4.340 0.019 0.000 0.211 94 L C 2.288 179.077 176.870 -0.135 0.000 1.089 94 L CA 1.562 56.269 54.840 -0.222 0.000 0.757 94 L CB -0.456 41.287 42.059 -0.527 0.000 0.899 94 L HN 0.440 8.670 8.230 0.000 0.000 0.434 95 I N -1.295 119.235 120.570 -0.066 0.000 2.339 95 I HA -0.170 4.011 4.170 0.019 0.000 0.245 95 I C 1.909 178.017 176.117 -0.016 0.000 1.096 95 I CA 0.607 61.903 61.300 -0.008 0.000 1.408 95 I CB -0.360 37.666 38.000 0.043 0.000 1.092 95 I HN 0.243 8.453 8.210 0.000 0.000 0.423 96 N N 0.865 119.555 118.700 -0.017 0.000 2.289 96 N HA -0.154 4.597 4.740 0.019 0.000 0.184 96 N C 0.836 176.334 175.510 -0.020 0.000 1.016 96 N CA 1.201 54.243 53.050 -0.014 0.000 0.872 96 N CB -0.290 38.190 38.487 -0.012 0.000 0.973 96 N HN 0.330 8.710 8.380 0.000 0.000 0.433 97 D N 0.499 120.880 120.400 -0.032 0.000 2.328 97 D HA 0.061 4.712 4.640 0.019 0.000 0.221 97 D C -0.031 176.250 176.300 -0.032 0.000 1.072 97 D CA 0.062 54.043 54.000 -0.031 0.000 0.850 97 D CB 0.068 40.845 40.800 -0.039 0.000 0.922 97 D HN 0.078 8.448 8.370 0.000 0.000 0.516 98 K N -0.145 120.235 120.400 -0.033 0.000 3.156 98 K HA -0.245 4.086 4.320 0.019 0.000 0.266 98 K C 0.688 177.261 176.600 -0.044 0.000 0.966 98 K CA 0.297 56.563 56.287 -0.035 0.000 0.719 98 K CB -1.166 31.320 32.500 -0.023 0.000 1.333 98 K HN 0.184 8.434 8.250 0.000 0.000 0.468 99 R N -0.360 120.103 120.500 -0.061 0.000 2.334 99 R HA 0.268 4.619 4.340 0.019 0.000 0.216 99 R C 0.221 176.477 176.300 -0.073 0.000 0.905 99 R CA 0.547 56.609 56.100 -0.062 0.000 1.064 99 R CB 0.786 31.039 30.300 -0.077 0.000 1.046 99 R HN 0.319 8.589 8.270 0.000 0.000 0.508 100 A N 1.039 123.812 122.820 -0.079 0.000 2.371 100 A HA 0.656 4.987 4.320 0.019 0.000 0.311 100 A C -0.768 176.730 177.584 -0.143 0.000 1.068 100 A CA -0.807 51.191 52.037 -0.066 0.000 0.744 100 A CB 1.360 20.379 19.000 0.032 0.000 1.239 100 A HN -0.014 8.136 8.150 0.000 0.000 0.435 101 R N 0.958 121.296 120.500 -0.271 0.000 2.621 101 R HA 0.696 5.047 4.340 0.019 0.000 0.292 101 R C -1.224 174.768 176.300 -0.513 0.000 0.969 101 R CA -0.347 55.371 56.100 -0.636 0.000 0.887 101 R CB 1.959 31.449 30.300 -1.350 0.000 1.180 101 R HN 0.716 8.986 8.270 0.000 0.000 0.450 102 T N 1.125 115.463 114.554 -0.360 0.000 2.824 102 T HA 0.640 5.001 4.350 0.019 0.000 0.282 102 T C -0.774 174.060 174.700 0.225 0.000 0.993 102 T CA -0.559 61.528 62.100 -0.023 0.000 0.967 102 T CB 1.849 70.729 68.868 0.020 0.000 0.960 102 T HN 0.606 8.846 8.240 0.000 0.000 0.441 103 A N 3.015 126.052 122.820 0.361 0.000 2.318 103 A HA 0.614 4.945 4.320 0.019 0.000 0.317 103 A C -0.059 177.705 177.584 0.300 0.000 1.159 103 A CA -0.732 51.540 52.037 0.392 0.000 0.799 103 A CB 0.934 20.147 19.000 0.354 0.000 1.194 103 A HN 0.782 8.932 8.150 0.000 0.000 0.479 104 Q N 1.759 121.719 119.800 0.266 0.000 2.313 104 Q HA 0.417 4.768 4.340 0.019 0.000 0.266 104 Q C -0.009 176.055 176.000 0.106 0.000 0.989 104 Q CA 0.406 56.307 55.803 0.164 0.000 0.890 104 Q CB 0.476 29.157 28.738 -0.096 0.000 1.200 104 Q HN 0.838 9.108 8.270 0.000 0.000 0.396 105 T N 0.725 115.321 114.554 0.070 0.000 2.887 105 T HA 0.582 4.943 4.350 0.019 0.000 0.292 105 T C -2.732 171.893 174.700 -0.124 0.000 1.087 105 T CA -2.162 59.946 62.100 0.014 0.000 1.009 105 T CB 1.723 70.650 68.868 0.098 0.000 1.203 105 T HN 0.439 8.679 8.240 0.000 0.000 0.518 106 P HA 0.395 4.815 4.420 0.000 0.000 0.252 106 P C 0.783 178.015 177.300 -0.113 0.000 1.727 106 P CA 0.800 63.749 63.100 -0.251 0.000 1.134 106 P CB -0.440 31.014 31.700 -0.410 0.000 1.876 107 G N 2.713 111.476 108.800 -0.062 0.000 2.829 107 G HA2 -0.142 3.829 3.960 0.019 0.000 0.628 107 G HA3 -0.142 3.829 3.960 0.019 0.000 0.628 107 G C 0.987 175.879 174.900 -0.014 0.000 1.412 107 G CA -0.490 44.595 45.100 -0.025 0.000 0.864 107 G HN 0.447 8.737 8.290 0.000 0.000 0.544 108 G N -1.312 107.465 108.800 -0.038 0.000 2.408 108 G HA2 0.054 4.025 3.960 0.019 0.000 0.217 108 G HA3 0.054 4.025 3.960 0.019 0.000 0.217 108 G C 1.879 176.793 174.900 0.023 0.000 1.150 108 G CA 2.355 47.428 45.100 -0.046 0.000 0.776 108 G HN 1.281 9.571 8.290 0.000 0.000 0.542 109 T N 1.035 115.627 114.554 0.063 0.000 2.746 109 T HA -0.063 4.298 4.350 0.019 0.000 0.267 109 T C 2.494 177.241 174.700 0.078 0.000 1.039 109 T CA 1.450 63.638 62.100 0.146 0.000 1.142 109 T CB -0.541 68.444 68.868 0.196 0.000 0.866 109 T HN 0.351 8.591 8.240 0.000 0.000 0.444 110 G N 1.004 109.830 108.800 0.044 0.000 2.422 110 G HA2 -0.026 3.945 3.960 0.019 0.000 0.218 110 G HA3 -0.026 3.945 3.960 0.019 0.000 0.218 110 G C 1.815 176.768 174.900 0.089 0.000 1.146 110 G CA 0.873 45.999 45.100 0.042 0.000 0.769 110 G HN 0.583 8.873 8.290 0.000 0.000 0.547 111 A N 0.479 123.349 122.820 0.083 0.000 1.902 111 A HA 0.071 4.402 4.320 0.019 0.000 0.217 111 A C 2.341 179.997 177.584 0.120 0.000 1.181 111 A CA 1.357 53.461 52.037 0.111 0.000 0.623 111 A CB -0.418 18.640 19.000 0.098 0.000 0.818 111 A HN 0.284 8.434 8.150 0.000 0.000 0.443 112 L N -0.325 120.959 121.223 0.102 0.000 2.012 112 L HA -0.137 4.214 4.340 0.019 0.000 0.210 112 L C 2.536 179.400 176.870 -0.010 0.000 1.073 112 L CA 2.219 57.103 54.840 0.073 0.000 0.748 112 L CB -1.139 40.952 42.059 0.052 0.000 0.891 112 L HN 0.492 8.722 8.230 0.000 0.000 0.431 113 R N -0.511 119.983 120.500 -0.011 0.000 2.081 113 R HA -0.110 4.241 4.340 0.019 0.000 0.235 113 R C 2.133 178.480 176.300 0.078 0.000 1.131 113 R CA 1.687 57.783 56.100 -0.007 0.000 0.960 113 R CB -0.943 29.369 30.300 0.019 0.000 0.856 113 R HN 0.198 8.468 8.270 0.000 0.000 0.436 114 V N 0.825 120.813 119.914 0.123 0.000 2.343 114 V HA -0.181 3.950 4.120 0.019 0.000 0.247 114 V C 2.361 178.571 176.094 0.193 0.000 1.051 114 V CA 1.899 64.286 62.300 0.145 0.000 1.036 114 V CB -0.933 30.980 31.823 0.150 0.000 0.654 114 V HN 0.541 8.731 8.190 0.000 0.000 0.451 115 A N -0.071 122.874 122.820 0.209 0.000 1.902 115 A HA -0.100 4.232 4.320 0.019 0.000 0.217 115 A C 2.431 180.238 177.584 0.373 0.000 1.181 115 A CA 2.025 54.244 52.037 0.303 0.000 0.623 115 A CB -0.762 18.413 19.000 0.291 0.000 0.818 115 A HN 0.558 8.708 8.150 0.000 0.000 0.443 116 A N 0.076 123.077 122.820 0.302 0.000 1.877 116 A HA -0.200 4.131 4.320 0.019 0.000 0.216 116 A C 1.810 179.523 177.584 0.215 0.000 1.186 116 A CA 1.952 54.174 52.037 0.309 0.000 0.620 116 A CB -0.630 18.492 19.000 0.204 0.000 0.822 116 A HN 0.450 8.600 8.150 0.000 0.000 0.443 117 D N -1.145 119.359 120.400 0.173 0.000 2.117 117 D HA -0.125 4.526 4.640 0.019 0.000 0.197 117 D C 1.637 178.026 176.300 0.148 0.000 0.987 117 D CA 1.380 55.457 54.000 0.128 0.000 0.829 117 D CB -0.454 40.407 40.800 0.101 0.000 0.961 117 D HN 0.502 8.872 8.370 0.000 0.000 0.460 118 F N 1.370 121.362 119.950 0.069 0.000 2.102 118 F HA -0.128 4.404 4.527 0.008 0.000 0.298 118 F C 2.068 177.916 175.800 0.079 0.000 1.105 118 F CA 1.194 59.234 58.000 0.066 0.000 1.239 118 F CB -0.379 38.669 39.000 0.081 0.000 0.991 118 F HN -0.123 8.177 8.300 0.000 0.000 0.474 119 L N 0.263 121.464 121.223 -0.037 0.000 2.046 119 L HA -0.174 4.177 4.340 0.019 0.000 0.208 119 L C 2.861 179.658 176.870 -0.121 0.000 1.077 119 L CA 1.193 55.946 54.840 -0.145 0.000 0.747 119 L CB -1.272 40.853 42.059 0.109 0.000 0.896 119 L HN 0.298 8.528 8.230 0.000 0.000 0.432 120 A N 0.037 122.844 122.820 -0.022 0.000 1.972 120 A HA -0.158 4.174 4.320 0.019 0.000 0.219 120 A C 2.150 179.706 177.584 -0.048 0.000 1.169 120 A CA 1.451 53.481 52.037 -0.012 0.000 0.635 120 A CB -0.153 18.867 19.000 0.034 0.000 0.810 120 A HN 0.331 8.481 8.150 0.000 0.000 0.446 121 K N -0.956 119.395 120.400 -0.082 0.000 2.367 121 K HA 0.161 4.492 4.320 0.019 0.000 0.195 121 K C 0.273 176.800 176.600 -0.122 0.000 1.060 121 K CA 0.288 56.529 56.287 -0.077 0.000 1.022 121 K CB 0.044 32.519 32.500 -0.041 0.000 0.894 121 K HN 0.444 8.694 8.250 0.000 0.000 0.540 122 N N 1.341 119.894 118.700 -0.245 0.000 2.184 122 N HA 0.007 4.758 4.740 0.019 0.000 0.206 122 N C 0.346 175.715 175.510 -0.235 0.000 1.151 122 N CA 0.329 53.218 53.050 -0.269 0.000 0.878 122 N CB 1.307 39.548 38.487 -0.410 0.000 1.014 122 N HN 0.297 8.677 8.380 0.000 0.000 0.512 123 T N -2.473 111.960 114.554 -0.203 0.000 2.804 123 T HA 0.279 4.640 4.350 0.019 0.000 0.290 123 T C 0.695 175.361 174.700 -0.055 0.000 1.099 123 T CA -0.565 61.467 62.100 -0.113 0.000 1.011 123 T CB 1.492 70.294 68.868 -0.109 0.000 1.291 123 T HN -0.078 8.162 8.240 0.000 0.000 0.523 124 S N -0.425 115.265 115.700 -0.017 0.000 2.597 124 S HA 0.288 4.769 4.470 0.019 0.000 0.224 124 S C 0.571 175.181 174.600 0.015 0.000 0.955 124 S CA -0.511 57.690 58.200 0.002 0.000 0.933 124 S CB -0.597 62.613 63.200 0.017 0.000 0.788 124 S HN 0.663 8.973 8.310 0.000 0.000 0.488 125 V N 3.002 122.924 119.914 0.014 0.000 2.673 125 V HA 0.226 4.357 4.120 0.019 0.000 0.303 125 V C 0.324 176.427 176.094 0.015 0.000 1.046 125 V CA 0.369 62.685 62.300 0.028 0.000 1.126 125 V CB 0.305 32.148 31.823 0.033 0.000 0.934 125 V HN 0.405 8.595 8.190 0.000 0.000 0.487 134 W N 5.865 127.001 121.300 -0.273 0.000 2.361 134 W HA 0.733 5.403 4.660 0.017 0.000 0.309 134 W C 0.176 176.649 176.519 -0.077 0.000 1.122 134 W CA -0.167 57.089 57.345 -0.148 0.000 1.208 134 W CB 1.840 31.195 29.460 -0.176 0.000 1.246 134 W HN 0.810 8.990 8.180 0.000 0.000 0.490 135 V N 1.179 121.123 119.914 0.050 0.000 2.769 135 V HA 0.734 4.865 4.120 0.019 0.000 0.312 135 V C 0.238 175.952 176.094 -0.633 0.000 1.061 135 V CA -1.215 60.993 62.300 -0.154 0.000 0.931 135 V CB 1.158 32.935 31.823 -0.077 0.000 1.010 135 V HN 0.547 8.737 8.190 0.000 0.000 0.433 136 S N 2.650 117.735 115.700 -1.024 0.000 2.584 136 S HA 0.203 4.684 4.470 0.019 0.000 0.270 136 S C 0.092 174.464 174.600 -0.379 0.000 1.346 136 S CA -0.138 57.377 58.200 -1.141 0.000 1.018 136 S CB 0.313 63.003 63.200 -0.851 0.000 0.899 136 S HN 1.298 9.608 8.310 0.000 0.000 0.542 137 N N 2.249 120.828 118.700 -0.201 0.000 2.479 137 N HA 0.389 5.140 4.740 0.019 0.000 0.261 137 N C -3.049 172.532 175.510 0.118 0.000 0.979 137 N CA -1.723 51.320 53.050 -0.012 0.000 0.930 137 N CB 1.710 40.202 38.487 0.007 0.000 1.172 137 N HN 0.416 8.796 8.380 0.000 0.000 0.499 138 P HA 0.368 4.788 4.420 0.000 0.000 0.287 138 P C -0.956 176.438 177.300 0.158 0.000 1.296 138 P CA -0.476 62.705 63.100 0.136 0.000 0.811 138 P CB 1.735 33.542 31.700 0.180 0.000 1.211 139 S N -1.623 114.163 115.700 0.144 0.000 2.596 139 S HA 0.398 4.880 4.470 0.019 0.000 0.270 139 S C -1.806 172.944 174.600 0.250 0.000 1.155 139 S CA -0.648 57.677 58.200 0.207 0.000 0.827 139 S CB 0.221 63.584 63.200 0.271 0.000 1.130 139 S HN 0.421 8.731 8.310 0.000 0.000 0.467 140 W N 4.887 126.223 121.300 0.059 0.000 2.549 140 W HA 0.202 4.873 4.660 0.017 0.000 0.343 140 W C -2.074 174.384 176.519 -0.102 0.000 1.278 140 W CA -1.078 56.191 57.345 -0.126 0.000 1.277 140 W CB 0.193 29.437 29.460 -0.359 0.000 1.249 140 W HN 0.570 8.750 8.180 0.000 0.000 0.572 141 P HA -0.268 4.152 4.420 0.000 0.000 0.218 141 P C 1.293 178.306 177.300 -0.477 0.000 1.146 141 P CA 1.871 64.796 63.100 -0.291 0.000 0.813 141 P CB 0.224 31.776 31.700 -0.247 0.000 0.778 142 N N -1.345 116.725 118.700 -1.049 0.000 2.459 142 N HA -0.124 4.627 4.740 0.019 0.000 0.181 142 N C 1.529 176.667 175.510 -0.620 0.000 1.046 142 N CA 0.730 53.150 53.050 -1.050 0.000 0.904 142 N CB -0.650 36.836 38.487 -1.668 0.000 0.964 142 N HN 0.308 8.688 8.380 0.000 0.000 0.444 143 H N -0.736 118.144 119.070 -0.318 0.000 2.353 143 H HA -0.091 4.476 4.556 0.019 0.000 0.300 143 H C 1.911 177.304 175.328 0.109 0.000 1.090 143 H CA 1.389 57.480 56.048 0.072 0.000 1.327 143 H CB 0.224 30.183 29.762 0.328 0.000 1.383 143 H HN 0.083 8.363 8.280 0.000 0.000 0.508 144 K N 0.465 120.952 120.400 0.145 0.000 2.009 144 K HA -0.137 4.194 4.320 0.019 0.000 0.210 144 K C 2.359 178.979 176.600 0.034 0.000 1.049 144 K CA 1.754 58.099 56.287 0.095 0.000 0.929 144 K CB 0.036 32.542 32.500 0.010 0.000 0.714 144 K HN 0.108 8.358 8.250 0.000 0.000 0.440 145 S N -0.094 115.566 115.700 -0.068 0.000 2.368 145 S HA -0.132 4.349 4.470 0.019 0.000 0.225 145 S C 2.008 176.550 174.600 -0.097 0.000 1.030 145 S CA 1.380 59.526 58.200 -0.091 0.000 0.999 145 S CB -0.385 62.730 63.200 -0.142 0.000 0.844 145 S HN 0.093 8.403 8.310 0.000 0.000 0.459 146 V N 1.398 121.210 119.914 -0.170 0.000 2.237 146 V HA -0.177 3.955 4.120 0.019 0.000 0.245 146 V C 2.055 178.006 176.094 -0.239 0.000 1.046 146 V CA 1.852 63.995 62.300 -0.261 0.000 1.007 146 V CB -0.985 30.578 31.823 -0.433 0.000 0.638 146 V HN 0.377 8.567 8.190 0.000 0.000 0.445 147 F N 0.748 120.717 119.950 0.031 0.000 2.134 147 F HA -0.110 4.427 4.527 0.017 0.000 0.299 147 F C 2.279 178.076 175.800 -0.004 0.000 1.097 147 F CA 1.659 59.670 58.000 0.019 0.000 1.264 147 F CB -1.126 37.878 39.000 0.007 0.000 1.001 147 F HN 0.178 8.478 8.300 0.000 0.000 0.479 148 N N -0.266 118.517 118.700 0.138 0.000 2.166 148 N HA -0.192 4.559 4.740 0.019 0.000 0.186 148 N C 2.040 177.570 175.510 0.035 0.000 1.019 148 N CA 1.231 54.318 53.050 0.062 0.000 0.856 148 N CB -0.207 38.295 38.487 0.024 0.000 0.993 148 N HN 0.279 8.659 8.380 0.000 0.000 0.426 149 S N 0.594 116.302 115.700 0.014 0.000 2.419 149 S HA -0.042 4.439 4.470 0.019 0.000 0.233 149 S C 1.828 176.439 174.600 0.018 0.000 1.016 149 S CA 0.932 59.132 58.200 0.001 0.000 0.974 149 S CB -0.100 63.086 63.200 -0.023 0.000 0.786 149 S HN 0.307 8.617 8.310 0.000 0.000 0.492 150 A N 0.312 123.158 122.820 0.043 0.000 2.251 150 A HA 0.566 4.897 4.320 0.019 0.000 0.209 150 A C 1.661 179.278 177.584 0.054 0.000 1.187 150 A CA 0.538 52.610 52.037 0.058 0.000 0.823 150 A CB -1.029 18.029 19.000 0.098 0.000 0.846 150 A HN 1.612 9.762 8.150 0.000 0.000 0.486 151 G N -1.630 107.199 108.800 0.048 0.000 2.132 151 G HA2 -0.147 3.824 3.960 0.019 0.000 0.228 151 G HA3 -0.147 3.824 3.960 0.019 0.000 0.228 151 G C -0.115 174.806 174.900 0.034 0.000 1.000 151 G CA 0.269 45.388 45.100 0.032 0.000 0.693 151 G HN 0.298 8.588 8.290 0.000 0.000 0.515 155 V N 4.420 124.220 119.914 -0.190 0.000 2.448 155 V HA 0.583 4.715 4.120 0.019 0.000 0.295 155 V C -0.152 175.727 176.094 -0.358 0.000 1.025 155 V CA -0.650 61.498 62.300 -0.252 0.000 0.859 155 V CB 1.503 33.262 31.823 -0.107 0.000 0.988 155 V HN 0.472 8.662 8.190 0.000 0.000 0.431 156 R N 3.295 123.442 120.500 -0.588 0.000 2.854 156 R HA 0.720 5.071 4.340 0.019 0.000 0.271 156 R C -0.943 175.115 176.300 -0.402 0.000 0.996 156 R CA -0.861 54.801 56.100 -0.730 0.000 0.961 156 R CB 2.328 31.626 30.300 -1.669 0.000 1.182 156 R HN 0.632 8.902 8.270 0.000 0.000 0.479 157 E N 1.038 121.132 120.200 -0.176 0.000 2.183 157 E HA 0.294 4.655 4.350 0.019 0.000 0.271 157 E C -1.249 175.522 176.600 0.285 0.000 0.919 157 E CA -0.681 55.728 56.400 0.016 0.000 0.781 157 E CB 1.594 31.274 29.700 -0.032 0.000 1.140 157 E HN 0.448 8.808 8.360 0.000 0.000 0.402 158 Y N 0.427 120.865 120.300 0.230 0.000 2.487 158 Y HA 0.753 5.314 4.550 0.018 0.000 0.337 158 Y C -0.174 175.808 175.900 0.138 0.000 1.076 158 Y CA -1.518 56.694 58.100 0.187 0.000 1.115 158 Y CB 0.745 39.254 38.460 0.082 0.000 1.235 158 Y HN 0.435 8.715 8.280 0.000 0.000 0.468 159 A N 2.237 125.225 122.820 0.280 0.000 2.445 159 A HA 0.371 4.702 4.320 0.019 0.000 0.242 159 A C -0.707 177.068 177.584 0.318 0.000 1.075 159 A CA 0.280 52.436 52.037 0.198 0.000 0.777 159 A CB -0.088 18.983 19.000 0.119 0.000 1.013 159 A HN 1.071 9.221 8.150 0.000 0.000 0.493 160 Y N 0.570 120.920 120.300 0.083 0.000 3.213 160 Y HA 0.194 4.755 4.550 0.019 0.000 0.208 160 Y C -0.241 175.713 175.900 0.091 0.000 1.044 160 Y CA 0.056 58.211 58.100 0.092 0.000 1.520 160 Y CB 0.050 38.515 38.460 0.009 0.000 1.447 160 Y HN 0.677 8.957 8.280 0.000 0.000 0.393 161 Y N 2.985 123.342 120.300 0.096 0.000 2.299 161 Y HA 0.422 4.983 4.550 0.019 0.000 0.326 161 Y C -0.671 175.196 175.900 -0.056 0.000 1.164 161 Y CA -0.910 57.193 58.100 0.005 0.000 1.234 161 Y CB 0.901 39.430 38.460 0.114 0.000 1.219 161 Y HN 0.197 8.477 8.280 0.000 0.000 0.497 162 D N 4.822 124.743 120.400 -0.798 0.000 2.479 162 D HA 0.300 4.951 4.640 0.019 0.000 0.247 162 D C 0.644 176.236 176.300 -1.180 0.000 1.119 162 D CA 0.119 53.677 54.000 -0.737 0.000 0.922 162 D CB 0.662 41.216 40.800 -0.410 0.000 1.014 162 D HN 0.757 9.127 8.370 0.000 0.000 0.510 163 A N 3.305 125.416 122.820 -1.182 0.000 2.139 163 A HA -0.204 4.128 4.320 0.019 0.000 0.221 163 A C 1.886 178.998 177.584 -0.787 0.000 1.159 163 A CA 1.338 52.841 52.037 -0.889 0.000 0.662 163 A CB -0.205 18.575 19.000 -0.367 0.000 0.796 163 A HN 0.628 8.778 8.150 0.000 0.000 0.463 164 E N -0.546 119.283 120.200 -0.618 0.000 2.042 164 E HA -0.059 4.302 4.350 0.019 0.000 0.189 164 E C 1.192 177.477 176.600 -0.525 0.000 0.974 164 E CA 0.871 56.986 56.400 -0.475 0.000 0.806 164 E CB -0.068 29.457 29.700 -0.292 0.000 0.769 164 E HN 0.655 9.015 8.360 0.000 0.000 0.451 165 N N -0.012 118.417 118.700 -0.452 0.000 2.280 165 N HA -0.027 4.724 4.740 0.019 0.000 0.192 165 N C -0.670 174.693 175.510 -0.244 0.000 1.109 165 N CA 0.210 53.090 53.050 -0.283 0.000 0.855 165 N CB 0.511 38.897 38.487 -0.169 0.000 0.974 165 N HN 0.210 8.590 8.380 0.000 0.000 0.482 166 H N 0.151 119.011 119.070 -0.350 0.000 2.748 166 H HA -0.136 4.431 4.556 0.018 0.000 0.322 166 H C -0.022 175.276 175.328 -0.050 0.000 1.208 166 H CA 1.043 56.937 56.048 -0.256 0.000 1.151 166 H CB -1.643 27.749 29.762 -0.617 0.000 1.505 166 H HN 0.221 8.501 8.280 0.000 0.000 0.429 167 T N -0.751 113.774 114.554 -0.048 0.000 2.731 167 T HA 0.445 4.806 4.350 0.019 0.000 0.300 167 T C -0.744 173.917 174.700 -0.066 0.000 1.283 167 T CA -0.837 61.270 62.100 0.011 0.000 1.005 167 T CB 1.799 70.657 68.868 -0.016 0.000 1.420 167 T HN 0.223 8.463 8.240 0.000 0.000 0.503 168 L N 2.973 124.135 121.223 -0.100 0.000 2.325 168 L HA 0.346 4.697 4.340 0.019 0.000 0.284 168 L C -0.375 176.416 176.870 -0.131 0.000 1.089 168 L CA -0.056 54.647 54.840 -0.227 0.000 0.836 168 L CB 0.628 42.518 42.059 -0.282 0.000 1.184 168 L HN 0.714 8.944 8.230 0.000 0.000 0.444 169 D N 4.463 124.784 120.400 -0.132 0.000 2.558 169 D HA -0.055 4.597 4.640 0.019 0.000 0.221 169 D C 1.050 177.363 176.300 0.023 0.000 1.143 169 D CA -0.210 53.757 54.000 -0.055 0.000 1.010 169 D CB 0.118 40.869 40.800 -0.081 0.000 1.068 169 D HN 0.440 8.810 8.370 0.000 0.000 0.511 170 F N 1.859 121.741 119.950 -0.114 0.000 2.115 170 F HA -0.267 4.271 4.527 0.018 0.000 0.300 170 F C 1.709 177.491 175.800 -0.030 0.000 1.092 170 F CA 1.568 59.523 58.000 -0.075 0.000 1.245 170 F CB 0.155 39.113 39.000 -0.070 0.000 0.995 170 F HN 0.308 8.608 8.300 0.000 0.000 0.481 171 D N -0.067 120.353 120.400 0.032 0.000 2.084 171 D HA -0.182 4.470 4.640 0.019 0.000 0.194 171 D C 2.394 178.654 176.300 -0.066 0.000 0.990 171 D CA 1.643 55.621 54.000 -0.037 0.000 0.826 171 D CB -0.822 39.979 40.800 0.002 0.000 0.971 171 D HN 0.342 8.712 8.370 0.000 0.000 0.453 172 A N 0.969 123.766 122.820 -0.037 0.000 1.978 172 A HA -0.156 4.175 4.320 0.019 0.000 0.220 172 A C 2.111 179.687 177.584 -0.014 0.000 1.170 172 A CA 0.982 53.007 52.037 -0.021 0.000 0.636 172 A CB -0.591 18.403 19.000 -0.010 0.000 0.810 172 A HN 0.214 8.364 8.150 0.000 0.000 0.448 173 L N -0.034 121.168 121.223 -0.036 0.000 1.961 173 L HA -0.121 4.230 4.340 0.019 0.000 0.210 173 L C 2.106 178.903 176.870 -0.121 0.000 1.072 173 L CA 1.803 56.634 54.840 -0.014 0.000 0.749 173 L CB -0.786 41.255 42.059 -0.029 0.000 0.889 173 L HN 0.291 8.521 8.230 0.000 0.000 0.432 174 I N 0.616 121.024 120.570 -0.270 0.000 2.194 174 I HA -0.312 3.869 4.170 0.019 0.000 0.246 174 I C 2.344 178.397 176.117 -0.108 0.000 1.093 174 I CA 1.268 62.430 61.300 -0.230 0.000 1.355 174 I CB -1.790 36.023 38.000 -0.312 0.000 1.046 174 I HN 0.414 8.624 8.210 0.000 0.000 0.413 175 N N 0.753 119.401 118.700 -0.087 0.000 2.084 175 N HA -0.147 4.604 4.740 0.019 0.000 0.190 175 N C 2.092 177.580 175.510 -0.037 0.000 1.030 175 N CA 1.896 54.918 53.050 -0.047 0.000 0.849 175 N CB -0.427 38.041 38.487 -0.031 0.000 1.012 175 N HN 0.463 8.843 8.380 0.000 0.000 0.423 176 S N 0.495 116.179 115.700 -0.025 0.000 2.383 176 S HA -0.022 4.459 4.470 0.019 0.000 0.227 176 S C 1.962 176.466 174.600 -0.159 0.000 1.026 176 S CA 0.632 58.826 58.200 -0.010 0.000 0.981 176 S CB -0.664 62.591 63.200 0.092 0.000 0.818 176 S HN 0.241 8.551 8.310 0.000 0.000 0.472 177 L N 1.787 122.873 121.223 -0.230 0.000 2.549 177 L HA 0.037 4.388 4.340 0.019 0.000 0.229 177 L C 2.244 178.983 176.870 -0.218 0.000 1.158 177 L CA 0.612 55.175 54.840 -0.461 0.000 0.842 177 L CB -0.702 41.081 42.059 -0.459 0.000 0.952 177 L HN 0.500 8.730 8.230 0.000 0.000 0.452 178 N N -0.098 118.548 118.700 -0.089 0.000 2.494 178 N HA -0.159 4.592 4.740 0.019 0.000 0.182 178 N C 1.482 176.971 175.510 -0.035 0.000 1.076 178 N CA 0.338 53.386 53.050 -0.003 0.000 0.908 178 N CB 0.314 38.797 38.487 -0.006 0.000 0.967 178 N HN 0.206 8.586 8.380 0.000 0.000 0.449 179 E N 1.199 121.324 120.200 -0.124 0.000 2.481 179 E HA 0.111 4.472 4.350 0.019 0.000 0.195 179 E C -0.226 176.333 176.600 -0.069 0.000 1.047 179 E CA -0.054 56.321 56.400 -0.042 0.000 0.867 179 E CB -0.036 29.704 29.700 0.067 0.000 0.858 179 E HN 0.200 8.560 8.360 0.000 0.000 0.513 180 A N 1.312 123.911 122.820 -0.369 0.000 2.366 180 A HA 0.318 4.649 4.320 0.019 0.000 0.272 180 A C 0.060 177.706 177.584 0.104 0.000 1.135 180 A CA -0.489 51.334 52.037 -0.357 0.000 0.804 180 A CB 0.225 18.504 19.000 -1.202 0.000 1.064 180 A HN 0.211 8.361 8.150 0.000 0.000 0.499 181 Q N 1.301 121.218 119.800 0.194 0.000 2.199 181 Q HA 0.599 4.950 4.340 0.019 0.000 0.232 181 Q C 0.158 176.320 176.000 0.270 0.000 0.969 181 Q CA -0.624 55.303 55.803 0.207 0.000 0.925 181 Q CB 0.957 29.793 28.738 0.163 0.000 1.198 181 Q HN 0.815 9.085 8.270 0.000 0.000 0.494 182 A N 0.129 123.067 122.820 0.196 0.000 2.462 182 A HA 0.437 4.768 4.320 0.019 0.000 0.243 182 A C 1.119 178.812 177.584 0.182 0.000 1.076 182 A CA 0.699 52.848 52.037 0.187 0.000 0.773 182 A CB -0.650 18.404 19.000 0.088 0.000 1.010 182 A HN 1.055 9.205 8.150 0.000 0.000 0.493 183 G N 1.532 110.453 108.800 0.202 0.000 2.175 183 G HA2 -0.179 3.792 3.960 0.019 0.000 0.244 183 G HA3 -0.179 3.792 3.960 0.019 0.000 0.244 183 G C -0.068 174.932 174.900 0.167 0.000 0.982 183 G CA 0.359 45.556 45.100 0.161 0.000 0.641 183 G HN 0.820 9.110 8.290 0.000 0.000 0.527 184 D N 0.023 120.550 120.400 0.212 0.000 2.264 184 D HA 0.521 5.172 4.640 0.019 0.000 0.249 184 D C 0.676 177.063 176.300 0.145 0.000 1.070 184 D CA 0.302 54.415 54.000 0.189 0.000 0.912 184 D CB 1.995 42.950 40.800 0.257 0.000 1.193 184 D HN 0.730 9.100 8.370 0.000 0.000 0.427 185 V N 0.825 120.794 119.914 0.092 0.000 2.539 185 V HA 0.609 4.741 4.120 0.019 0.000 0.292 185 V C -0.767 175.288 176.094 -0.065 0.000 1.045 185 V CA -0.371 61.946 62.300 0.028 0.000 0.945 185 V CB 1.630 33.448 31.823 -0.007 0.000 0.993 185 V HN 0.207 8.397 8.190 0.000 0.000 0.464 186 V N 7.032 126.844 119.914 -0.169 0.000 2.487 186 V HA 0.452 4.584 4.120 0.019 0.000 0.298 186 V C -0.133 175.640 176.094 -0.536 0.000 1.028 186 V CA -0.498 61.544 62.300 -0.429 0.000 0.860 186 V CB 1.428 32.797 31.823 -0.758 0.000 0.991 186 V HN 0.957 9.147 8.190 0.000 0.000 0.427 187 L N 5.453 126.380 121.223 -0.495 0.000 2.275 187 L HA 0.672 5.023 4.340 0.019 0.000 0.288 187 L C -1.335 175.207 176.870 -0.547 0.000 1.046 187 L CA -0.032 54.551 54.840 -0.428 0.000 0.805 187 L CB 0.788 42.673 42.059 -0.289 0.000 1.193 187 L HN 0.500 8.730 8.230 0.000 0.000 0.426 188 F N 2.399 122.195 119.950 -0.257 0.000 2.546 188 F HA 0.428 4.966 4.527 0.018 0.000 0.320 188 F C 0.082 175.904 175.800 0.037 0.000 1.076 188 F CA -0.643 57.246 58.000 -0.185 0.000 0.928 188 F CB 1.391 39.929 39.000 -0.769 0.000 1.189 188 F HN 0.373 8.673 8.300 0.000 0.000 0.465 189 H N 1.364 120.648 119.070 0.358 0.000 2.668 189 H HA 0.162 4.729 4.556 0.019 0.000 0.303 189 H C 1.019 176.674 175.328 0.545 0.000 1.074 189 H CA 0.041 56.326 56.048 0.394 0.000 1.406 189 H CB 1.584 31.564 29.762 0.363 0.000 1.442 189 H HN 0.971 9.251 8.280 0.000 0.000 0.482 190 G N 3.133 112.266 108.800 0.557 0.000 2.469 190 G HA2 -0.212 3.759 3.960 0.019 0.000 0.219 190 G HA3 -0.212 3.759 3.960 0.019 0.000 0.219 190 G C 0.599 175.753 174.900 0.423 0.000 1.150 190 G CA 1.216 46.450 45.100 0.224 0.000 0.763 190 G HN 0.767 9.057 8.290 0.000 0.000 0.561 191 C N -5.405 114.261 119.300 0.610 0.000 3.275 191 C HA 0.512 4.984 4.460 0.019 0.000 0.340 191 C C 0.414 175.704 174.990 0.500 0.000 1.366 191 C CA -0.895 58.464 59.018 0.568 0.000 1.227 191 C CB 0.668 28.724 27.740 0.526 0.000 1.512 191 C HN 0.936 9.166 8.230 0.000 0.000 0.461 192 C N 2.467 121.991 119.300 0.374 0.000 3.896 192 C HA -0.128 4.344 4.460 0.019 0.000 0.300 192 C C 0.628 175.761 174.990 0.238 0.000 1.322 192 C CA 1.184 60.321 59.018 0.197 0.000 2.130 192 C CB -3.331 24.377 27.740 -0.054 0.000 1.363 192 C HN 1.279 9.509 8.230 0.000 0.000 0.642 193 H N 1.748 120.982 119.070 0.274 0.000 3.195 193 H HA -0.033 4.534 4.556 0.018 0.000 0.302 193 H C 0.562 176.007 175.328 0.195 0.000 0.950 193 H CA 1.313 57.504 56.048 0.238 0.000 1.398 193 H CB 0.494 30.327 29.762 0.118 0.000 1.377 193 H HN 0.681 8.961 8.280 0.000 0.000 0.572 194 N N 3.401 121.998 118.700 -0.173 0.000 2.437 194 N HA 0.235 4.986 4.740 0.019 0.000 0.259 194 N C -0.816 174.539 175.510 -0.260 0.000 0.983 194 N CA -0.052 52.940 53.050 -0.095 0.000 0.937 194 N CB 0.961 39.474 38.487 0.042 0.000 1.122 194 N HN 0.684 9.064 8.380 0.000 0.000 0.499 195 A N 2.603 125.337 122.820 -0.144 0.000 2.749 195 A HA 0.154 4.486 4.320 0.019 0.000 0.299 195 A C 1.234 178.708 177.584 -0.184 0.000 1.105 195 A CA -0.235 51.670 52.037 -0.220 0.000 0.987 195 A CB -0.536 18.124 19.000 -0.566 0.000 1.180 195 A HN 0.681 8.831 8.150 0.000 0.000 0.528 196 T N -4.488 110.191 114.554 0.208 0.000 3.035 196 T HA 0.326 4.687 4.350 0.019 0.000 0.259 196 T C 1.658 176.486 174.700 0.213 0.000 1.078 196 T CA 1.237 63.448 62.100 0.185 0.000 1.132 196 T CB -0.132 68.858 68.868 0.203 0.000 0.900 196 T HN 1.666 9.906 8.240 0.000 0.000 0.480 197 G N 1.590 110.548 108.800 0.263 0.000 2.162 197 G HA2 -0.218 3.753 3.960 0.019 0.000 0.260 197 G HA3 -0.218 3.753 3.960 0.019 0.000 0.260 197 G C 0.038 175.094 174.900 0.260 0.000 0.976 197 G CA 0.220 45.450 45.100 0.216 0.000 0.655 197 G HN 0.681 8.971 8.290 0.000 0.000 0.533 198 I N 1.954 122.710 120.570 0.310 0.000 2.304 198 I HA 0.373 4.554 4.170 0.019 0.000 0.291 198 I C -0.578 175.721 176.117 0.304 0.000 1.018 198 I CA -0.712 60.744 61.300 0.259 0.000 1.260 198 I CB 0.973 39.099 38.000 0.210 0.000 1.390 198 I HN -0.064 8.146 8.210 0.000 0.000 0.475 199 D N 7.707 128.256 120.400 0.248 0.000 2.299 199 D HA 0.498 5.149 4.640 0.019 0.000 0.243 199 D C -2.378 173.956 176.300 0.056 0.000 0.982 199 D CA -1.444 52.717 54.000 0.270 0.000 0.924 199 D CB 1.439 42.455 40.800 0.359 0.000 1.238 199 D HN 0.161 8.531 8.370 0.000 0.000 0.484 200 P HA 0.199 4.619 4.420 0.000 0.000 0.276 200 P C -0.063 177.079 177.300 -0.265 0.000 1.244 200 P CA -0.390 62.462 63.100 -0.414 0.000 0.801 200 P CB 0.419 31.538 31.700 -0.969 0.000 1.006 201 T N -1.414 113.009 114.554 -0.218 0.000 2.816 201 T HA 0.145 4.506 4.350 0.019 0.000 0.282 201 T C 1.287 176.039 174.700 0.087 0.000 0.993 201 T CA -0.745 61.334 62.100 -0.035 0.000 0.994 201 T CB 0.264 69.087 68.868 -0.077 0.000 1.025 201 T HN 0.245 8.485 8.240 0.000 0.000 0.529 202 L N 0.237 121.580 121.223 0.200 0.000 2.042 202 L HA -0.145 4.206 4.340 0.019 0.000 0.210 202 L C 2.607 179.598 176.870 0.201 0.000 1.076 202 L CA 1.996 57.004 54.840 0.280 0.000 0.749 202 L CB -0.611 41.553 42.059 0.173 0.000 0.893 202 L HN 0.850 9.081 8.230 0.000 0.000 0.432 203 E N -0.770 119.474 120.200 0.074 0.000 2.150 203 E HA -0.251 4.110 4.350 0.019 0.000 0.193 203 E C 2.133 178.721 176.600 -0.019 0.000 0.985 203 E CA 1.014 57.429 56.400 0.026 0.000 0.814 203 E CB 0.021 29.708 29.700 -0.022 0.000 0.752 203 E HN 0.629 8.989 8.360 0.000 0.000 0.466 204 Q N -0.572 119.135 119.800 -0.155 0.000 2.123 204 Q HA -0.140 4.211 4.340 0.019 0.000 0.199 204 Q C 1.716 177.737 176.000 0.036 0.000 0.966 204 Q CA 1.044 56.630 55.803 -0.361 0.000 0.845 204 Q CB -0.073 28.190 28.738 -0.792 0.000 0.907 204 Q HN 0.399 8.669 8.270 0.000 0.000 0.439 205 W N 1.203 122.573 121.300 0.117 0.000 2.355 205 W HA -0.213 4.459 4.660 0.019 0.000 0.309 205 W C 2.359 179.002 176.519 0.206 0.000 1.206 205 W CA 0.821 58.306 57.345 0.234 0.000 1.284 205 W CB 0.016 29.601 29.460 0.207 0.000 1.145 205 W HN 0.205 8.385 8.180 0.000 0.000 0.502 206 Q N -0.696 119.318 119.800 0.356 0.000 2.135 206 Q HA -0.189 4.162 4.340 0.019 0.000 0.204 206 Q C 1.999 178.071 176.000 0.121 0.000 0.981 206 Q CA 2.276 58.184 55.803 0.176 0.000 0.856 206 Q CB -0.445 28.364 28.738 0.117 0.000 0.902 206 Q HN 0.200 8.470 8.270 0.000 0.000 0.425 207 T N 0.725 115.385 114.554 0.176 0.000 2.777 207 T HA -0.077 4.285 4.350 0.019 0.000 0.266 207 T C 1.732 176.546 174.700 0.189 0.000 1.040 207 T CA 0.810 63.023 62.100 0.189 0.000 1.141 207 T CB -0.104 68.950 68.868 0.311 0.000 0.868 207 T HN 0.186 8.426 8.240 0.000 0.000 0.444 208 L N 0.677 122.077 121.223 0.296 0.000 2.093 208 L HA -0.022 4.329 4.340 0.019 0.000 0.208 208 L C 3.014 179.913 176.870 0.050 0.000 1.085 208 L CA 0.972 55.993 54.840 0.303 0.000 0.755 208 L CB -0.646 41.705 42.059 0.488 0.000 0.904 208 L HN 0.231 8.461 8.230 0.000 0.000 0.435 209 A N -0.328 122.323 122.820 -0.283 0.000 1.858 209 A HA -0.291 4.041 4.320 0.019 0.000 0.216 209 A C 2.220 179.631 177.584 -0.288 0.000 1.190 209 A CA 1.828 53.409 52.037 -0.760 0.000 0.617 209 A CB -0.589 18.037 19.000 -0.624 0.000 0.827 209 A HN 0.396 8.546 8.150 0.000 0.000 0.443 210 Q N -1.198 118.501 119.800 -0.168 0.000 2.030 210 Q HA -0.194 4.157 4.340 0.019 0.000 0.204 210 Q C 2.097 177.988 176.000 -0.181 0.000 0.986 210 Q CA 1.804 57.518 55.803 -0.147 0.000 0.843 210 Q CB -0.336 28.352 28.738 -0.083 0.000 0.904 210 Q HN 0.594 8.864 8.270 0.000 0.000 0.420 211 L N -0.069 121.063 121.223 -0.151 0.000 2.042 211 L HA -0.218 4.133 4.340 0.019 0.000 0.210 211 L C 2.314 178.886 176.870 -0.498 0.000 1.076 211 L CA 2.167 56.855 54.840 -0.253 0.000 0.749 211 L CB -0.885 41.087 42.059 -0.146 0.000 0.893 211 L HN 0.166 8.396 8.230 0.000 0.000 0.432 212 S N -1.405 114.110 115.700 -0.308 0.000 2.359 212 S HA -0.194 4.287 4.470 0.019 0.000 0.224 212 S C 2.000 176.437 174.600 -0.272 0.000 1.035 212 S CA 1.735 59.802 58.200 -0.221 0.000 1.018 212 S CB -0.513 63.004 63.200 0.529 0.000 0.876 212 S HN 0.314 8.624 8.310 0.000 0.000 0.448 213 V N 2.130 121.882 119.914 -0.270 0.000 2.287 213 V HA -0.150 3.981 4.120 0.019 0.000 0.248 213 V C 2.689 178.606 176.094 -0.296 0.000 1.053 213 V CA 2.294 64.377 62.300 -0.361 0.000 1.027 213 V CB -0.771 30.798 31.823 -0.424 0.000 0.646 213 V HN 0.602 8.792 8.190 0.000 0.000 0.447 214 E N 0.045 120.058 120.200 -0.312 0.000 2.118 214 E HA -0.271 4.090 4.350 0.019 0.000 0.195 214 E C 1.991 178.396 176.600 -0.325 0.000 0.992 214 E CA 1.406 57.640 56.400 -0.276 0.000 0.804 214 E CB 0.062 29.612 29.700 -0.250 0.000 0.741 214 E HN 0.468 8.828 8.360 0.000 0.000 0.458 215 K N -1.099 118.975 120.400 -0.544 0.000 2.393 215 K HA 0.098 4.430 4.320 0.019 0.000 0.193 215 K C 0.622 176.976 176.600 -0.410 0.000 1.026 215 K CA 0.624 56.539 56.287 -0.619 0.000 1.064 215 K CB 0.693 32.480 32.500 -1.188 0.000 0.833 215 K HN 0.252 8.502 8.250 0.000 0.000 0.521 216 G N 0.901 109.536 108.800 -0.276 0.000 2.256 216 G HA2 -0.187 3.785 3.960 0.019 0.000 0.272 216 G HA3 -0.187 3.785 3.960 0.019 0.000 0.272 216 G C -0.669 174.341 174.900 0.184 0.000 1.076 216 G CA -0.317 44.766 45.100 -0.029 0.000 0.882 216 G HN 0.054 8.344 8.290 0.000 0.000 0.497 217 W N -1.135 120.235 121.300 0.116 0.000 2.359 217 W HA 0.714 5.384 4.660 0.017 0.000 0.344 217 W C 0.207 176.853 176.519 0.211 0.000 1.170 217 W CA -1.780 55.649 57.345 0.140 0.000 1.296 217 W CB 0.958 30.507 29.460 0.148 0.000 1.197 217 W HN 0.258 8.438 8.180 0.000 0.000 0.618 218 L N 5.527 127.000 121.223 0.418 0.000 2.276 218 L HA 0.503 4.854 4.340 0.019 0.000 0.286 218 L C -2.421 174.628 176.870 0.297 0.000 1.024 218 L CA -2.139 52.901 54.840 0.332 0.000 0.826 218 L CB 0.807 43.013 42.059 0.245 0.000 1.211 218 L HN -0.020 8.210 8.230 0.000 0.000 0.422 219 P HA 0.246 4.666 4.420 0.000 0.000 0.281 219 P C -1.197 176.246 177.300 0.240 0.000 1.252 219 P CA -0.078 63.218 63.100 0.326 0.000 0.778 219 P CB 1.041 33.010 31.700 0.448 0.000 0.895 220 L N 4.497 125.788 121.223 0.113 0.000 2.342 220 L HA 0.498 4.849 4.340 0.019 0.000 0.276 220 L C -1.205 175.700 176.870 0.058 0.000 0.997 220 L CA -0.854 54.065 54.840 0.131 0.000 0.838 220 L CB 0.441 42.551 42.059 0.086 0.000 1.224 220 L HN 0.175 8.405 8.230 0.000 0.000 0.416 221 F N 2.978 122.982 119.950 0.090 0.000 2.408 221 F HA 0.268 4.805 4.527 0.017 0.000 0.344 221 F C 0.437 176.287 175.800 0.083 0.000 1.112 221 F CA -0.220 57.816 58.000 0.059 0.000 1.096 221 F CB 1.190 40.134 39.000 -0.093 0.000 1.129 221 F HN 0.391 8.691 8.300 0.000 0.000 0.486 222 D N 4.336 124.873 120.400 0.230 0.000 2.443 222 D HA 0.117 4.768 4.640 0.019 0.000 0.221 222 D C -1.312 175.140 176.300 0.253 0.000 1.097 222 D CA -0.195 53.910 54.000 0.174 0.000 0.865 222 D CB 0.192 41.040 40.800 0.079 0.000 1.034 222 D HN 0.155 8.525 8.370 0.000 0.000 0.511 223 F N 3.473 123.444 119.950 0.036 0.000 2.319 223 F HA 0.482 5.020 4.527 0.018 0.000 0.356 223 F C 0.515 176.238 175.800 -0.129 0.000 1.100 223 F CA -1.388 56.616 58.000 0.006 0.000 1.220 223 F CB 0.640 39.621 39.000 -0.032 0.000 1.506 223 F HN 0.457 8.757 8.300 0.000 0.000 0.512 224 A N 3.411 126.188 122.820 -0.072 0.000 2.303 224 A HA 0.142 4.474 4.320 0.019 0.000 0.217 224 A C -0.073 177.062 177.584 -0.749 0.000 1.205 224 A CA 0.318 52.056 52.037 -0.499 0.000 0.875 224 A CB -0.282 18.288 19.000 -0.717 0.000 0.910 224 A HN 0.530 8.680 8.150 0.000 0.000 0.501 225 Y N -0.054 120.202 120.300 -0.073 0.000 2.698 225 Y HA 0.301 4.863 4.550 0.019 0.000 0.261 225 Y C 0.558 176.504 175.900 0.078 0.000 1.104 225 Y CA -0.773 57.345 58.100 0.030 0.000 1.145 225 Y CB -0.059 38.415 38.460 0.023 0.000 1.191 225 Y HN 0.350 8.630 8.280 0.000 0.000 0.564 226 Q N 0.888 120.554 119.800 -0.224 0.000 2.263 226 Q HA 0.301 4.652 4.340 0.019 0.000 0.289 226 Q C 1.202 177.200 176.000 -0.004 0.000 1.061 226 Q CA 1.614 57.235 55.803 -0.302 0.000 0.927 226 Q CB 0.305 28.544 28.738 -0.833 0.000 1.154 226 Q HN 0.818 9.088 8.270 0.000 0.000 0.378 227 G N 3.225 112.042 108.800 0.028 0.000 2.194 227 G HA2 -0.275 3.696 3.960 0.019 0.000 0.236 227 G HA3 -0.275 3.696 3.960 0.019 0.000 0.236 227 G C 0.190 174.986 174.900 -0.172 0.000 0.987 227 G CA 0.124 45.160 45.100 -0.107 0.000 0.635 227 G HN 0.667 8.957 8.290 0.000 0.000 0.520 228 F N 1.144 121.107 119.950 0.022 0.000 2.698 228 F HA 0.539 5.077 4.527 0.018 0.000 0.295 228 F C 2.520 178.338 175.800 0.029 0.000 1.124 228 F CA 1.441 59.455 58.000 0.023 0.000 1.426 228 F CB 0.244 39.294 39.000 0.082 0.000 1.120 228 F HN 0.350 8.650 8.300 0.000 0.000 0.583 229 A N 0.071 123.024 122.820 0.222 0.000 1.896 229 A HA 0.142 4.473 4.320 0.019 0.000 0.213 229 A C 2.015 179.663 177.584 0.105 0.000 1.306 229 A CA 0.874 53.016 52.037 0.175 0.000 0.626 229 A CB -0.113 19.018 19.000 0.220 0.000 0.994 229 A HN 0.229 8.379 8.150 0.000 0.000 0.475 230 R N -2.503 118.050 120.500 0.088 0.000 2.350 230 R HA 0.413 4.764 4.340 0.019 0.000 0.199 230 R C 0.558 176.857 176.300 -0.001 0.000 0.876 230 R CA 0.709 56.837 56.100 0.046 0.000 1.062 230 R CB 1.287 31.627 30.300 0.068 0.000 1.263 230 R HN 0.676 8.946 8.270 0.000 0.000 0.641 234 E N 0.882 121.099 120.200 0.027 0.000 2.028 234 E HA -0.182 4.179 4.350 0.019 0.000 0.191 234 E C 1.674 178.307 176.600 0.055 0.000 0.988 234 E CA 1.643 58.067 56.400 0.041 0.000 0.799 234 E CB 0.156 29.870 29.700 0.023 0.000 0.755 234 E HN 0.456 8.816 8.360 0.000 0.000 0.447 235 E N 1.166 121.396 120.200 0.051 0.000 2.070 235 E HA -0.187 4.174 4.350 0.019 0.000 0.197 235 E C 1.691 178.353 176.600 0.104 0.000 1.004 235 E CA 1.520 57.961 56.400 0.067 0.000 0.805 235 E CB -0.195 29.543 29.700 0.062 0.000 0.744 235 E HN 0.182 8.542 8.360 0.000 0.000 0.451 236 D N -0.613 119.873 120.400 0.144 0.000 2.309 236 D HA -0.077 4.574 4.640 0.019 0.000 0.212 236 D C 1.257 177.705 176.300 0.246 0.000 0.968 236 D CA 1.134 55.278 54.000 0.239 0.000 0.882 236 D CB -0.099 40.879 40.800 0.297 0.000 0.918 236 D HN 0.240 8.610 8.370 0.000 0.000 0.503 237 A N 0.183 123.100 122.820 0.162 0.000 2.238 237 A HA 0.021 4.352 4.320 0.019 0.000 0.210 237 A C 1.812 179.284 177.584 -0.186 0.000 1.179 237 A CA 0.043 52.079 52.037 -0.002 0.000 0.827 237 A CB -0.087 18.967 19.000 0.090 0.000 0.856 237 A HN 0.081 8.231 8.150 0.000 0.000 0.488 238 E N 0.189 120.323 120.200 -0.110 0.000 2.065 238 E HA -0.225 4.136 4.350 0.019 0.000 0.201 238 E C 2.104 178.522 176.600 -0.303 0.000 1.016 238 E CA 1.255 57.583 56.400 -0.120 0.000 0.818 238 E CB -0.366 29.332 29.700 -0.003 0.000 0.749 238 E HN 0.599 8.959 8.360 0.000 0.000 0.453 239 G N 1.624 110.020 108.800 -0.674 0.000 2.480 239 G HA2 -0.291 3.680 3.960 0.019 0.000 0.216 239 G HA3 -0.291 3.680 3.960 0.019 0.000 0.216 239 G C 1.564 175.881 174.900 -0.971 0.000 1.200 239 G CA 0.985 45.222 45.100 -1.438 0.000 0.782 239 G HN 0.204 8.494 8.290 0.000 0.000 0.554 240 L N 0.575 121.093 121.223 -1.174 0.000 2.013 240 L HA -0.036 4.315 4.340 0.019 0.000 0.212 240 L C 2.777 179.349 176.870 -0.497 0.000 1.073 240 L CA 2.108 56.206 54.840 -1.237 0.000 0.753 240 L CB -0.595 40.709 42.059 -1.258 0.000 0.890 240 L HN 0.141 8.371 8.230 0.000 0.000 0.432 241 R N -0.527 119.793 120.500 -0.300 0.000 2.148 241 R HA -0.002 4.349 4.340 0.019 0.000 0.227 241 R C 2.285 178.564 176.300 -0.035 0.000 1.103 241 R CA 1.165 57.216 56.100 -0.082 0.000 0.983 241 R CB -0.571 29.707 30.300 -0.037 0.000 0.874 241 R HN 0.590 8.860 8.270 0.000 0.000 0.451 242 A N -0.378 122.418 122.820 -0.039 0.000 1.930 242 A HA -0.111 4.220 4.320 0.019 0.000 0.217 242 A C 1.704 179.362 177.584 0.122 0.000 1.175 242 A CA 1.037 53.110 52.037 0.060 0.000 0.627 242 A CB -0.423 18.650 19.000 0.122 0.000 0.815 242 A HN 0.215 8.365 8.150 0.000 0.000 0.443 243 F N 0.069 119.970 119.950 -0.082 0.000 2.128 243 F HA 0.038 4.576 4.527 0.017 0.000 0.295 243 F C 2.794 178.635 175.800 0.069 0.000 1.100 243 F CA 0.738 58.753 58.000 0.024 0.000 1.260 243 F CB -0.708 38.254 39.000 -0.063 0.000 1.009 243 F HN 0.239 8.539 8.300 0.000 0.000 0.476 244 A N -0.051 122.852 122.820 0.138 0.000 1.986 244 A HA -0.142 4.189 4.320 0.019 0.000 0.220 244 A C 2.304 179.898 177.584 0.016 0.000 1.171 244 A CA 1.811 53.867 52.037 0.031 0.000 0.640 244 A CB -1.308 17.638 19.000 -0.090 0.000 0.811 244 A HN 0.301 8.451 8.150 0.000 0.000 0.451 245 A N -1.552 121.283 122.820 0.024 0.000 2.168 245 A HA 0.161 4.492 4.320 0.019 0.000 0.215 245 A C 1.966 179.554 177.584 0.007 0.000 1.152 245 A CA 1.371 53.408 52.037 0.000 0.000 0.716 245 A CB -0.325 18.673 19.000 -0.002 0.000 0.794 245 A HN 0.522 8.672 8.150 0.000 0.000 0.465 246 M N -1.802 117.831 119.600 0.054 0.000 2.338 246 M HA 0.190 4.681 4.480 0.019 0.000 0.276 246 M C -0.232 176.030 176.300 -0.062 0.000 1.057 246 M CA 0.187 55.480 55.300 -0.012 0.000 1.079 246 M CB 0.209 32.770 32.600 -0.065 0.000 1.547 246 M HN 0.353 8.643 8.290 0.000 0.000 0.549 247 H N 0.349 119.417 119.070 -0.002 0.000 2.525 247 H HA 0.325 4.891 4.556 0.018 0.000 0.340 247 H C 0.711 176.052 175.328 0.022 0.000 1.168 247 H CA -0.186 55.884 56.048 0.037 0.000 1.247 247 H CB 1.447 31.284 29.762 0.125 0.000 1.568 247 H HN -0.128 8.152 8.280 0.000 0.000 0.536 248 K N 0.853 121.337 120.400 0.140 0.000 2.202 248 K HA 0.087 4.418 4.320 0.019 0.000 0.201 248 K C -0.265 176.405 176.600 0.118 0.000 1.051 248 K CA 0.772 57.110 56.287 0.085 0.000 0.977 248 K CB 0.498 33.032 32.500 0.056 0.000 0.792 248 K HN 0.630 8.880 8.250 0.000 0.000 0.469 249 E N 0.716 121.029 120.200 0.187 0.000 2.212 249 E HA 0.544 4.905 4.350 0.019 0.000 0.268 249 E C -1.181 175.559 176.600 0.233 0.000 0.902 249 E CA -0.470 56.045 56.400 0.192 0.000 0.779 249 E CB 2.425 32.242 29.700 0.195 0.000 1.172 249 E HN -0.047 8.313 8.360 0.000 0.000 0.409 250 L N 2.653 123.995 121.223 0.198 0.000 2.710 250 L HA 0.560 4.911 4.340 0.019 0.000 0.260 250 L C -1.936 175.062 176.870 0.213 0.000 0.993 250 L CA -0.538 54.429 54.840 0.212 0.000 0.877 250 L CB 1.861 44.028 42.059 0.180 0.000 1.461 250 L HN 0.575 8.805 8.230 0.000 0.000 0.413 251 I N 3.011 123.726 120.570 0.242 0.000 2.533 251 I HA 0.531 4.712 4.170 0.019 0.000 0.290 251 I C -1.189 175.076 176.117 0.246 0.000 1.056 251 I CA -0.801 60.635 61.300 0.227 0.000 1.057 251 I CB 2.187 40.326 38.000 0.231 0.000 1.240 251 I HN 0.144 8.354 8.210 0.000 0.000 0.423 252 V N 4.807 124.847 119.914 0.209 0.000 2.531 252 V HA 0.646 4.777 4.120 0.019 0.000 0.301 252 V C -0.009 176.180 176.094 0.158 0.000 1.034 252 V CA -0.614 61.802 62.300 0.192 0.000 0.865 252 V CB 1.707 33.602 31.823 0.121 0.000 0.995 252 V HN 0.801 8.991 8.190 0.000 0.000 0.424 253 A N 3.732 126.655 122.820 0.171 0.000 2.394 253 A HA 0.754 5.085 4.320 0.019 0.000 0.333 253 A C 0.307 177.940 177.584 0.082 0.000 1.397 253 A CA -0.361 51.753 52.037 0.128 0.000 0.884 253 A CB 0.419 19.511 19.000 0.152 0.000 1.147 253 A HN 0.956 9.106 8.150 0.000 0.000 0.505 254 S N 1.359 117.064 115.700 0.008 0.000 2.651 254 S HA 0.828 5.309 4.470 0.019 0.000 0.291 254 S C 0.014 174.468 174.600 -0.243 0.000 1.141 254 S CA -0.485 57.639 58.200 -0.126 0.000 1.027 254 S CB 1.688 64.752 63.200 -0.226 0.000 1.043 254 S HN 1.087 9.397 8.310 0.000 0.000 0.530 255 S N 0.143 115.609 115.700 -0.390 0.000 2.541 255 S HA 0.590 5.071 4.470 0.019 0.000 0.280 255 S C -1.408 172.914 174.600 -0.463 0.000 1.112 255 S CA -0.629 57.360 58.200 -0.352 0.000 0.925 255 S CB 0.792 63.822 63.200 -0.282 0.000 1.067 255 S HN 0.688 8.998 8.310 0.000 0.000 0.479 256 Y N 1.814 122.052 120.300 -0.103 0.000 2.584 256 Y HA 0.400 4.960 4.550 0.018 0.000 0.254 256 Y C 1.422 177.272 175.900 -0.082 0.000 1.177 256 Y CA -0.349 57.715 58.100 -0.060 0.000 1.216 256 Y CB 0.231 38.590 38.460 -0.169 0.000 1.172 256 Y HN 0.486 8.766 8.280 0.000 0.000 0.529 260 F N 1.285 121.320 119.950 0.142 0.000 2.706 260 F HA 0.556 5.095 4.527 0.020 0.000 0.313 260 F C 1.561 177.344 175.800 -0.029 0.000 1.096 260 F CA 0.338 58.378 58.000 0.068 0.000 1.219 260 F CB 0.951 39.884 39.000 -0.111 0.000 1.051 260 F HN 0.231 8.531 8.300 0.000 0.000 0.568 261 G N 1.528 110.322 108.800 -0.010 0.000 2.283 261 G HA2 -0.314 3.657 3.960 0.019 0.000 0.280 261 G HA3 -0.314 3.657 3.960 0.019 0.000 0.280 261 G C 0.548 175.371 174.900 -0.128 0.000 1.029 261 G CA 0.387 45.383 45.100 -0.173 0.000 0.840 261 G HN 0.419 8.709 8.290 0.000 0.000 0.505 262 L N -0.443 120.678 121.223 -0.169 0.000 2.848 262 L HA 0.272 4.623 4.340 0.019 0.000 0.240 262 L C 2.175 179.040 176.870 -0.009 0.000 1.232 262 L CA -0.801 54.019 54.840 -0.032 0.000 1.031 262 L CB -0.364 41.681 42.059 -0.024 0.000 1.338 262 L HN 0.329 8.559 8.230 0.000 0.000 0.509 263 Y N 1.001 121.351 120.300 0.084 0.000 1.980 263 Y HA -0.436 4.125 4.550 0.019 0.000 0.249 263 Y C 2.490 178.413 175.900 0.038 0.000 1.215 263 Y CA 2.207 60.342 58.100 0.058 0.000 1.075 263 Y CB -0.873 37.625 38.460 0.064 0.000 0.894 263 Y HN 0.566 8.846 8.280 0.000 0.000 0.503 264 N N -0.160 118.676 118.700 0.227 0.000 2.550 264 N HA -0.114 4.637 4.740 0.019 0.000 0.186 264 N C 0.769 176.323 175.510 0.073 0.000 1.110 264 N CA 1.190 54.314 53.050 0.123 0.000 0.912 264 N CB -0.442 38.106 38.487 0.101 0.000 0.968 264 N HN 0.440 8.820 8.380 0.000 0.000 0.448 265 E N 0.489 120.729 120.200 0.066 0.000 2.489 265 E HA 0.042 4.403 4.350 0.019 0.000 0.193 265 E C -0.261 176.331 176.600 -0.013 0.000 1.057 265 E CA -0.071 56.350 56.400 0.035 0.000 0.866 265 E CB 0.064 29.794 29.700 0.051 0.000 0.916 265 E HN 0.182 8.542 8.360 0.000 0.000 0.500 266 R N -0.113 120.383 120.500 -0.007 0.000 2.992 266 R HA -0.121 4.231 4.340 0.019 0.000 0.263 266 R C -0.787 175.472 176.300 -0.069 0.000 0.902 266 R CA 0.219 56.297 56.100 -0.037 0.000 0.667 266 R CB -3.066 27.194 30.300 -0.067 0.000 1.504 266 R HN -0.074 8.196 8.270 0.000 0.000 0.489 267 V N 0.552 120.445 119.914 -0.035 0.000 2.350 267 V HA 0.887 5.018 4.120 0.019 0.000 0.285 267 V C 1.091 177.264 176.094 0.131 0.000 1.014 267 V CA 0.035 62.328 62.300 -0.011 0.000 0.831 267 V CB 2.053 33.854 31.823 -0.037 0.000 1.000 267 V HN 0.747 8.937 8.190 0.000 0.000 0.433 268 G N 2.826 111.715 108.800 0.147 0.000 2.663 268 G HA2 0.921 4.892 3.960 0.019 0.000 0.299 268 G HA3 0.921 4.892 3.960 0.019 0.000 0.299 268 G C -1.466 173.590 174.900 0.259 0.000 1.372 268 G CA -0.158 45.033 45.100 0.152 0.000 0.781 268 G HN 1.151 9.441 8.290 0.000 0.000 0.491 269 A N -1.633 121.288 122.820 0.168 0.000 2.574 269 A HA 0.634 4.965 4.320 0.019 0.000 0.297 269 A C -1.252 176.413 177.584 0.134 0.000 1.062 269 A CA -0.334 51.834 52.037 0.218 0.000 0.686 269 A CB 1.431 20.586 19.000 0.258 0.000 1.285 269 A HN 1.780 9.930 8.150 0.000 0.000 0.403 270 C N 1.962 121.361 119.300 0.164 0.000 2.293 270 C HA 0.779 5.250 4.460 0.019 0.000 0.323 270 C C 0.035 175.114 174.990 0.148 0.000 1.240 270 C CA 0.046 59.152 59.018 0.148 0.000 1.497 270 C CB -0.450 27.381 27.740 0.152 0.000 2.171 270 C HN 0.797 9.027 8.230 0.000 0.000 0.465 271 T N 7.000 121.625 114.554 0.120 0.000 2.771 271 T HA 0.400 4.761 4.350 0.019 0.000 0.281 271 T C -0.455 174.317 174.700 0.120 0.000 0.982 271 T CA -0.224 61.941 62.100 0.108 0.000 0.978 271 T CB 0.952 69.884 68.868 0.106 0.000 0.930 271 T HN 0.607 8.847 8.240 0.000 0.000 0.447 272 L N 4.214 125.477 121.223 0.067 0.000 2.295 272 L HA 0.663 5.015 4.340 0.019 0.000 0.285 272 L C -0.918 175.982 176.870 0.050 0.000 1.035 272 L CA -0.750 54.122 54.840 0.053 0.000 0.806 272 L CB 1.407 43.474 42.059 0.013 0.000 1.214 272 L HN 0.391 8.621 8.230 0.000 0.000 0.426 273 V N 3.797 123.761 119.914 0.083 0.000 2.588 273 V HA 0.764 4.895 4.120 0.019 0.000 0.304 273 V C 0.004 176.138 176.094 0.068 0.000 1.042 273 V CA -0.463 61.864 62.300 0.044 0.000 0.877 273 V CB 1.592 33.427 31.823 0.021 0.000 0.996 273 V HN 0.911 9.101 8.190 0.000 0.000 0.425 274 A N 3.202 126.047 122.820 0.040 0.000 2.437 274 A HA 0.928 5.259 4.320 0.019 0.000 0.288 274 A C 1.068 178.673 177.584 0.035 0.000 1.201 274 A CA 0.083 52.158 52.037 0.063 0.000 0.795 274 A CB 1.339 20.383 19.000 0.074 0.000 1.359 274 A HN 1.162 9.312 8.150 0.000 0.000 0.435 275 A N -0.545 122.301 122.820 0.043 0.000 1.969 275 A HA 0.272 4.604 4.320 0.019 0.000 0.218 275 A C 0.523 178.112 177.584 0.010 0.000 1.169 275 A CA 2.234 54.286 52.037 0.024 0.000 0.635 275 A CB -0.663 18.355 19.000 0.029 0.000 0.810 275 A HN 1.033 9.183 8.150 0.000 0.000 0.445 276 D N -4.446 115.963 120.400 0.015 0.000 2.643 276 D HA 0.348 4.999 4.640 0.019 0.000 0.283 276 D C 0.542 176.848 176.300 0.010 0.000 1.242 276 D CA 0.107 54.111 54.000 0.007 0.000 0.863 276 D CB 0.494 41.300 40.800 0.010 0.000 1.382 276 D HN -0.145 8.225 8.370 0.000 0.000 0.444 277 S N -0.775 114.927 115.700 0.004 0.000 2.353 277 S HA -0.260 4.221 4.470 0.019 0.000 0.222 277 S C 1.512 176.125 174.600 0.022 0.000 1.035 277 S CA 1.877 60.079 58.200 0.005 0.000 1.025 277 S CB -0.499 62.702 63.200 0.002 0.000 0.902 277 S HN 0.532 8.842 8.310 0.000 0.000 0.440 278 E N 0.099 120.315 120.200 0.027 0.000 2.070 278 E HA -0.154 4.207 4.350 0.019 0.000 0.197 278 E C 2.047 178.679 176.600 0.053 0.000 1.004 278 E CA 1.988 58.411 56.400 0.038 0.000 0.805 278 E CB -0.738 28.981 29.700 0.033 0.000 0.744 278 E HN 0.640 9.000 8.360 0.000 0.000 0.451 279 T N 0.897 115.482 114.554 0.053 0.000 2.708 279 T HA -0.130 4.231 4.350 0.019 0.000 0.266 279 T C 1.972 176.727 174.700 0.092 0.000 1.037 279 T CA 1.335 63.478 62.100 0.072 0.000 1.146 279 T CB -0.549 68.359 68.868 0.067 0.000 0.865 279 T HN 0.060 8.300 8.240 0.000 0.000 0.435 280 V N 1.910 121.866 119.914 0.071 0.000 2.343 280 V HA -0.199 3.932 4.120 0.019 0.000 0.247 280 V C 2.119 178.279 176.094 0.109 0.000 1.051 280 V CA 2.048 64.392 62.300 0.072 0.000 1.036 280 V CB -0.584 31.244 31.823 0.009 0.000 0.654 280 V HN 0.385 8.575 8.190 0.000 0.000 0.451 281 D N -0.385 120.070 120.400 0.092 0.000 2.097 281 D HA -0.203 4.448 4.640 0.019 0.000 0.195 281 D C 2.264 178.665 176.300 0.167 0.000 0.989 281 D CA 1.747 55.827 54.000 0.133 0.000 0.827 281 D CB -0.352 40.502 40.800 0.090 0.000 0.966 281 D HN 0.417 8.787 8.370 0.000 0.000 0.456 282 R N 0.473 121.051 120.500 0.130 0.000 2.096 282 R HA -0.078 4.273 4.340 0.019 0.000 0.235 282 R C 2.027 178.428 176.300 0.169 0.000 1.127 282 R CA 1.503 57.679 56.100 0.126 0.000 0.968 282 R CB -0.117 30.243 30.300 0.100 0.000 0.861 282 R HN 0.127 8.397 8.270 0.000 0.000 0.440 283 A N -0.044 122.899 122.820 0.205 0.000 1.929 283 A HA -0.121 4.210 4.320 0.019 0.000 0.216 283 A C 1.912 179.666 177.584 0.284 0.000 1.176 283 A CA 0.819 53.033 52.037 0.295 0.000 0.628 283 A CB -0.652 18.537 19.000 0.315 0.000 0.816 283 A HN 0.465 8.615 8.150 0.000 0.000 0.444 284 F N 2.046 122.017 119.950 0.036 0.000 2.171 284 F HA -0.190 4.348 4.527 0.017 0.000 0.300 284 F C 2.806 178.613 175.800 0.013 0.000 1.090 284 F CA 1.466 59.449 58.000 -0.029 0.000 1.293 284 F CB -0.485 38.507 39.000 -0.013 0.000 1.013 284 F HN 0.350 8.650 8.300 0.000 0.000 0.486 285 S N -0.483 115.262 115.700 0.076 0.000 2.383 285 S HA -0.251 4.230 4.470 0.019 0.000 0.229 285 S C 1.875 176.459 174.600 -0.026 0.000 1.030 285 S CA 1.321 59.512 58.200 -0.015 0.000 1.002 285 S CB -0.642 62.588 63.200 0.050 0.000 0.829 285 S HN 0.502 8.812 8.310 0.000 0.000 0.467 286 Q N 0.209 120.061 119.800 0.086 0.000 2.311 286 Q HA 0.155 4.506 4.340 0.019 0.000 0.203 286 Q C 2.067 178.168 176.000 0.169 0.000 0.954 286 Q CA 1.009 56.901 55.803 0.149 0.000 0.885 286 Q CB -0.350 28.538 28.738 0.250 0.000 0.963 286 Q HN 0.766 9.036 8.270 0.000 0.000 0.471 287 M N 0.488 120.113 119.600 0.041 0.000 2.200 287 M HA -0.129 4.363 4.480 0.019 0.000 0.265 287 M C 1.692 177.860 176.300 -0.219 0.000 1.066 287 M CA 1.396 56.624 55.300 -0.120 0.000 1.127 287 M CB 0.155 32.499 32.600 -0.426 0.000 1.379 287 M HN -0.057 8.233 8.290 0.000 0.000 0.420 288 K N 0.308 120.485 120.400 -0.371 0.000 2.097 288 K HA -0.091 4.241 4.320 0.019 0.000 0.206 288 K C 2.021 178.504 176.600 -0.195 0.000 1.049 288 K CA 1.385 57.466 56.287 -0.343 0.000 0.933 288 K CB -0.361 31.909 32.500 -0.384 0.000 0.717 288 K HN 0.439 8.689 8.250 0.000 0.000 0.442 289 A N 1.789 124.535 122.820 -0.123 0.000 1.908 289 A HA -0.148 4.183 4.320 0.019 0.000 0.218 289 A C 2.409 179.946 177.584 -0.078 0.000 1.181 289 A CA 1.923 53.912 52.037 -0.079 0.000 0.627 289 A CB -0.632 18.350 19.000 -0.030 0.000 0.818 289 A HN 0.342 8.492 8.150 0.000 0.000 0.445 290 A N -0.360 122.432 122.820 -0.046 0.000 1.972 290 A HA -0.045 4.286 4.320 0.019 0.000 0.219 290 A C 2.104 179.613 177.584 -0.125 0.000 1.169 290 A CA 1.497 53.514 52.037 -0.032 0.000 0.635 290 A CB -0.522 18.515 19.000 0.062 0.000 0.810 290 A HN 0.509 8.659 8.150 0.000 0.000 0.446 291 I N -1.358 119.090 120.570 -0.203 0.000 2.233 291 I HA -0.184 3.997 4.170 0.019 0.000 0.243 291 I C 2.615 178.458 176.117 -0.456 0.000 1.093 291 I CA 1.467 62.521 61.300 -0.409 0.000 1.380 291 I CB -0.233 37.544 38.000 -0.372 0.000 1.067 291 I HN 0.309 8.519 8.210 0.000 0.000 0.413 292 R N 1.380 121.709 120.500 -0.286 0.000 2.117 292 R HA -0.178 4.173 4.340 0.019 0.000 0.243 292 R C 2.050 178.237 176.300 -0.189 0.000 1.143 292 R CA 1.737 57.701 56.100 -0.226 0.000 0.968 292 R CB -0.257 29.948 30.300 -0.158 0.000 0.863 292 R HN 0.383 8.653 8.270 0.000 0.000 0.444 293 A N -0.269 122.456 122.820 -0.160 0.000 2.208 293 A HA -0.013 4.318 4.320 0.019 0.000 0.209 293 A C 1.543 179.063 177.584 -0.106 0.000 1.161 293 A CA 0.769 52.742 52.037 -0.106 0.000 0.782 293 A CB -0.319 18.640 19.000 -0.069 0.000 0.816 293 A HN 0.395 8.545 8.150 0.000 0.000 0.477 294 N N -0.652 117.937 118.700 -0.186 0.000 2.531 294 N HA 0.029 4.780 4.740 0.019 0.000 0.223 294 N C 1.057 176.522 175.510 -0.074 0.000 1.023 294 N CA 1.597 54.570 53.050 -0.129 0.000 1.124 294 N CB -0.086 38.321 38.487 -0.132 0.000 1.427 294 N HN 0.454 8.834 8.380 0.000 0.000 0.558 295 Y N -1.508 118.786 120.300 -0.011 0.000 2.500 295 Y HA 0.576 5.140 4.550 0.023 0.000 0.246 295 Y C 1.299 177.190 175.900 -0.016 0.000 1.146 295 Y CA 0.305 58.400 58.100 -0.007 0.000 1.230 295 Y CB 0.003 38.463 38.460 -0.001 0.000 1.214 295 Y HN 0.128 8.408 8.280 0.000 0.000 0.526 296 S N 0.875 116.413 115.700 -0.270 0.000 1.476 296 S HA -0.303 4.178 4.470 0.019 0.000 0.242 296 S C -0.142 174.379 174.600 -0.132 0.000 0.711 296 S CA 1.884 59.976 58.200 -0.181 0.000 1.268 296 S CB -1.812 61.328 63.200 -0.099 0.000 1.523 296 S HN 1.002 9.312 8.310 0.000 0.000 0.510 297 N N 1.000 119.759 118.700 0.098 0.000 2.710 297 N HA 0.697 5.448 4.740 0.019 0.000 0.257 297 N C -3.407 172.314 175.510 0.352 0.000 1.327 297 N CA -1.248 51.911 53.050 0.181 0.000 0.861 297 N CB 1.382 39.923 38.487 0.089 0.000 1.532 297 N HN 0.289 8.669 8.380 0.000 0.000 0.499 298 P HA 0.413 4.833 4.420 0.000 0.000 0.279 298 P C -2.690 174.607 177.300 -0.005 0.000 1.252 298 P CA -1.409 61.730 63.100 0.066 0.000 0.811 298 P CB -0.019 31.687 31.700 0.009 0.000 1.035 299 P HA 0.139 4.559 4.420 0.000 0.000 0.276 299 P C 0.422 177.667 177.300 -0.091 0.000 1.253 299 P CA -0.029 63.034 63.100 -0.063 0.000 0.766 299 P CB 0.584 32.237 31.700 -0.078 0.000 0.845 300 A N 3.541 126.329 122.820 -0.055 0.000 1.873 300 A HA -0.226 4.105 4.320 0.019 0.000 0.215 300 A C 2.099 179.636 177.584 -0.079 0.000 1.186 300 A CA 1.706 53.697 52.037 -0.076 0.000 0.616 300 A CB -1.674 17.304 19.000 -0.036 0.000 0.823 300 A HN 0.626 8.776 8.150 0.000 0.000 0.442 301 H N -0.250 118.757 119.070 -0.105 0.000 2.268 301 H HA -0.194 4.373 4.556 0.018 0.000 0.288 301 H C 2.236 177.489 175.328 -0.126 0.000 1.088 301 H CA 2.720 58.712 56.048 -0.094 0.000 1.182 301 H CB -0.789 28.933 29.762 -0.067 0.000 1.348 301 H HN 0.354 8.634 8.280 0.000 0.000 0.499 302 G N -0.562 108.148 108.800 -0.149 0.000 2.476 302 G HA2 -0.294 3.678 3.960 0.019 0.000 0.218 302 G HA3 -0.294 3.678 3.960 0.019 0.000 0.218 302 G C 1.882 176.571 174.900 -0.352 0.000 1.164 302 G CA 1.461 46.419 45.100 -0.236 0.000 0.768 302 G HN 0.678 8.968 8.290 0.000 0.000 0.560 303 A N 0.096 122.675 122.820 -0.402 0.000 1.968 303 A HA 0.124 4.455 4.320 0.019 0.000 0.217 303 A C 2.644 180.001 177.584 -0.379 0.000 1.169 303 A CA 2.031 53.712 52.037 -0.595 0.000 0.638 303 A CB -0.535 17.874 19.000 -0.984 0.000 0.812 303 A HN 0.316 8.466 8.150 0.000 0.000 0.446 304 S N -0.576 114.946 115.700 -0.296 0.000 2.368 304 S HA -0.123 4.358 4.470 0.019 0.000 0.225 304 S C 1.925 176.392 174.600 -0.222 0.000 1.030 304 S CA 1.430 59.511 58.200 -0.199 0.000 0.999 304 S CB -0.347 62.763 63.200 -0.150 0.000 0.844 304 S HN 0.346 8.656 8.310 0.000 0.000 0.459 305 V N 1.224 120.946 119.914 -0.319 0.000 2.295 305 V HA -0.141 3.991 4.120 0.019 0.000 0.246 305 V C 2.290 178.178 176.094 -0.344 0.000 1.049 305 V CA 1.584 63.701 62.300 -0.304 0.000 1.024 305 V CB -0.675 30.942 31.823 -0.343 0.000 0.648 305 V HN 0.345 8.535 8.190 0.000 0.000 0.447 306 V N 0.288 119.896 119.914 -0.511 0.000 2.343 306 V HA -0.257 3.874 4.120 0.019 0.000 0.247 306 V C 2.687 178.478 176.094 -0.506 0.000 1.051 306 V CA 2.049 63.850 62.300 -0.830 0.000 1.036 306 V CB -1.155 29.980 31.823 -1.147 0.000 0.654 306 V HN 0.563 8.753 8.190 0.000 0.000 0.451 307 A N -0.279 122.388 122.820 -0.255 0.000 1.902 307 A HA -0.208 4.123 4.320 0.019 0.000 0.217 307 A C 2.400 179.887 177.584 -0.161 0.000 1.181 307 A CA 2.423 54.369 52.037 -0.152 0.000 0.623 307 A CB -0.939 18.045 19.000 -0.027 0.000 0.818 307 A HN 0.505 8.655 8.150 0.000 0.000 0.443 308 T N 0.325 114.779 114.554 -0.167 0.000 2.708 308 T HA -0.097 4.264 4.350 0.019 0.000 0.266 308 T C 1.813 176.403 174.700 -0.185 0.000 1.037 308 T CA 1.563 63.555 62.100 -0.181 0.000 1.146 308 T CB -0.386 68.374 68.868 -0.179 0.000 0.865 308 T HN 0.417 8.657 8.240 0.000 0.000 0.435 309 I N 0.675 121.142 120.570 -0.171 0.000 2.163 309 I HA -0.108 4.073 4.170 0.019 0.000 0.240 309 I C 2.225 178.281 176.117 -0.102 0.000 1.081 309 I CA 1.231 62.461 61.300 -0.116 0.000 1.353 309 I CB -0.345 37.614 38.000 -0.068 0.000 1.054 309 I HN 0.172 8.382 8.210 0.000 0.000 0.407 310 L N 0.325 121.453 121.223 -0.159 0.000 2.265 310 L HA -0.154 4.197 4.340 0.019 0.000 0.215 310 L C 2.274 179.098 176.870 -0.077 0.000 1.117 310 L CA 1.318 56.086 54.840 -0.119 0.000 0.782 310 L CB -0.520 41.421 42.059 -0.197 0.000 0.914 310 L HN 0.368 8.598 8.230 0.000 0.000 0.441 311 S N -2.292 113.351 115.700 -0.095 0.000 2.556 311 S HA 0.039 4.521 4.470 0.019 0.000 0.216 311 S C 0.678 175.236 174.600 -0.070 0.000 0.970 311 S CA -0.461 57.694 58.200 -0.075 0.000 0.912 311 S CB -0.172 62.982 63.200 -0.077 0.000 0.790 311 S HN 0.348 8.658 8.310 0.000 0.000 0.504 312 N N 1.425 120.079 118.700 -0.077 0.000 2.443 312 N HA 0.180 4.932 4.740 0.019 0.000 0.269 312 N C -0.539 174.950 175.510 -0.036 0.000 0.985 312 N CA -0.176 52.828 53.050 -0.075 0.000 0.921 312 N CB 1.607 40.018 38.487 -0.126 0.000 1.195 312 N HN -0.135 8.245 8.380 0.000 0.000 0.492 313 D N 3.172 123.557 120.400 -0.025 0.000 2.126 313 D HA -0.196 4.455 4.640 0.019 0.000 0.190 313 D C 1.623 177.921 176.300 -0.003 0.000 1.001 313 D CA 1.754 55.749 54.000 -0.008 0.000 0.841 313 D CB -0.099 40.696 40.800 -0.010 0.000 0.949 313 D HN 0.727 9.097 8.370 0.000 0.000 0.446 314 A N 0.725 123.536 122.820 -0.014 0.000 1.851 314 A HA -0.145 4.186 4.320 0.019 0.000 0.216 314 A C 2.514 180.099 177.584 0.001 0.000 1.195 314 A CA 1.144 53.175 52.037 -0.010 0.000 0.622 314 A CB -0.936 18.053 19.000 -0.018 0.000 0.831 314 A HN 0.231 8.381 8.150 0.000 0.000 0.444 315 L N -1.257 119.961 121.223 -0.008 0.000 2.083 315 L HA -0.180 4.171 4.340 0.019 0.000 0.209 315 L C 2.846 179.762 176.870 0.076 0.000 1.083 315 L CA 1.699 56.547 54.840 0.013 0.000 0.752 315 L CB -0.440 41.601 42.059 -0.029 0.000 0.899 315 L HN 0.481 8.711 8.230 0.000 0.000 0.433 316 R N 0.117 120.665 120.500 0.080 0.000 2.081 316 R HA -0.179 4.172 4.340 0.019 0.000 0.235 316 R C 2.352 178.749 176.300 0.162 0.000 1.131 316 R CA 1.385 57.596 56.100 0.186 0.000 0.960 316 R CB -0.203 30.183 30.300 0.144 0.000 0.856 316 R HN 0.342 8.612 8.270 0.000 0.000 0.436 317 A N 1.227 124.083 122.820 0.060 0.000 1.865 317 A HA -0.189 4.142 4.320 0.019 0.000 0.217 317 A C 2.151 179.721 177.584 -0.023 0.000 1.191 317 A CA 1.714 53.752 52.037 0.001 0.000 0.623 317 A CB -0.645 18.349 19.000 -0.011 0.000 0.826 317 A HN 0.361 8.511 8.150 0.000 0.000 0.444 318 I N -2.259 118.315 120.570 0.007 0.000 2.163 318 I HA -0.302 3.879 4.170 0.019 0.000 0.243 318 I C 2.450 178.555 176.117 -0.020 0.000 1.085 318 I CA 1.933 63.229 61.300 -0.007 0.000 1.347 318 I CB -0.426 37.584 38.000 0.018 0.000 1.044 318 I HN 0.765 8.975 8.210 0.000 0.000 0.408 319 W N 2.272 123.483 121.300 -0.147 0.000 2.358 319 W HA -0.192 4.480 4.660 0.019 0.000 0.303 319 W C 2.346 178.703 176.519 -0.270 0.000 1.208 319 W CA 1.516 58.719 57.345 -0.237 0.000 1.274 319 W CB -0.351 28.926 29.460 -0.306 0.000 1.138 319 W HN 0.059 8.239 8.180 0.000 0.000 0.515 320 E N -0.159 119.655 120.200 -0.644 0.000 2.085 320 E HA -0.334 4.027 4.350 0.019 0.000 0.194 320 E C 2.015 178.248 176.600 -0.610 0.000 0.994 320 E CA 1.734 57.611 56.400 -0.871 0.000 0.801 320 E CB -0.341 29.081 29.700 -0.463 0.000 0.743 320 E HN 0.251 8.611 8.360 0.000 0.000 0.453 321 Q N 1.159 120.734 119.800 -0.375 0.000 2.079 321 Q HA -0.164 4.187 4.340 0.019 0.000 0.200 321 Q C 1.586 177.405 176.000 -0.301 0.000 0.974 321 Q CA 1.569 57.206 55.803 -0.276 0.000 0.840 321 Q CB 0.012 28.649 28.738 -0.169 0.000 0.898 321 Q HN 0.303 8.573 8.270 0.000 0.000 0.430 322 E N -0.427 119.582 120.200 -0.318 0.000 2.110 322 E HA -0.179 4.183 4.350 0.019 0.000 0.193 322 E C 1.828 178.182 176.600 -0.410 0.000 0.988 322 E CA 0.982 57.213 56.400 -0.281 0.000 0.804 322 E CB -0.193 29.394 29.700 -0.188 0.000 0.745 322 E HN 0.251 8.611 8.360 0.000 0.000 0.458 323 L N 1.125 121.966 121.223 -0.637 0.000 2.056 323 L HA -0.122 4.229 4.340 0.019 0.000 0.207 323 L C 2.197 178.712 176.870 -0.593 0.000 1.078 323 L CA 1.903 56.309 54.840 -0.724 0.000 0.749 323 L CB -0.747 40.705 42.059 -1.013 0.000 0.901 323 L HN -0.005 8.225 8.230 0.000 0.000 0.433 324 T N -0.354 113.909 114.554 -0.485 0.000 2.720 324 T HA -0.173 4.188 4.350 0.019 0.000 0.268 324 T C 1.466 176.004 174.700 -0.271 0.000 1.037 324 T CA 1.577 63.470 62.100 -0.345 0.000 1.144 324 T CB -0.372 68.333 68.868 -0.272 0.000 0.864 324 T HN 0.376 8.616 8.240 0.000 0.000 0.444 325 D N 0.863 121.113 120.400 -0.249 0.000 2.149 325 D HA -0.033 4.618 4.640 0.019 0.000 0.198 325 D C 2.082 178.283 176.300 -0.164 0.000 0.990 325 D CA 0.993 54.894 54.000 -0.165 0.000 0.839 325 D CB -0.282 40.441 40.800 -0.128 0.000 0.948 325 D HN 0.387 8.757 8.370 0.000 0.000 0.460 326 M N -0.127 119.286 119.600 -0.312 0.000 2.077 326 M HA -0.118 4.373 4.480 0.019 0.000 0.261 326 M C 2.369 178.533 176.300 -0.226 0.000 1.070 326 M CA 1.091 56.139 55.300 -0.420 0.000 1.125 326 M CB -0.214 31.900 32.600 -0.810 0.000 1.339 326 M HN -0.067 8.223 8.290 0.000 0.000 0.409 327 R N 0.654 120.949 120.500 -0.343 0.000 2.083 327 R HA -0.222 4.129 4.340 0.019 0.000 0.237 327 R C 2.002 178.266 176.300 -0.060 0.000 1.137 327 R CA 2.042 58.024 56.100 -0.197 0.000 0.951 327 R CB -0.263 29.878 30.300 -0.265 0.000 0.851 327 R HN 0.445 8.715 8.270 0.000 0.000 0.434 328 Q N -0.413 119.338 119.800 -0.081 0.000 2.124 328 Q HA -0.117 4.235 4.340 0.019 0.000 0.202 328 Q C 2.311 178.318 176.000 0.011 0.000 0.977 328 Q CA 1.171 56.953 55.803 -0.035 0.000 0.850 328 Q CB -0.042 28.666 28.738 -0.051 0.000 0.901 328 Q HN 0.204 8.474 8.270 0.000 0.000 0.429 329 R N 0.498 121.022 120.500 0.041 0.000 2.080 329 R HA -0.157 4.194 4.340 0.019 0.000 0.236 329 R C 2.117 178.473 176.300 0.094 0.000 1.137 329 R CA 1.454 57.611 56.100 0.095 0.000 0.943 329 R CB -0.592 29.842 30.300 0.223 0.000 0.846 329 R HN 0.338 8.608 8.270 0.000 0.000 0.431 330 I N 0.791 121.440 120.570 0.131 0.000 2.179 330 I HA -0.314 3.867 4.170 0.019 0.000 0.242 330 I C 2.582 178.730 176.117 0.052 0.000 1.088 330 I CA 1.421 62.781 61.300 0.100 0.000 1.357 330 I CB -0.298 37.791 38.000 0.149 0.000 1.051 330 I HN 0.226 8.436 8.210 0.000 0.000 0.409 331 Q N 0.127 119.956 119.800 0.048 0.000 2.096 331 Q HA -0.248 4.104 4.340 0.019 0.000 0.204 331 Q C 2.371 178.389 176.000 0.030 0.000 0.982 331 Q CA 1.593 57.418 55.803 0.036 0.000 0.850 331 Q CB -0.087 28.666 28.738 0.026 0.000 0.901 331 Q HN 0.295 8.565 8.270 0.000 0.000 0.422 332 R N -0.332 120.184 120.500 0.027 0.000 2.073 332 R HA -0.065 4.286 4.340 0.019 0.000 0.234 332 R C 2.109 178.425 176.300 0.026 0.000 1.134 332 R CA 1.367 57.480 56.100 0.022 0.000 0.952 332 R CB -0.136 30.175 30.300 0.018 0.000 0.850 332 R HN 0.230 8.500 8.270 0.000 0.000 0.433 333 M N -0.070 119.543 119.600 0.023 0.000 2.159 333 M HA -0.101 4.390 4.480 0.019 0.000 0.263 333 M C 2.005 178.332 176.300 0.046 0.000 1.063 333 M CA 1.573 56.883 55.300 0.016 0.000 1.110 333 M CB -0.702 31.883 32.600 -0.026 0.000 1.374 333 M HN 0.088 8.378 8.290 0.000 0.000 0.411 334 R N -0.494 120.031 120.500 0.041 0.000 2.073 334 R HA -0.147 4.204 4.340 0.019 0.000 0.234 334 R C 2.398 178.755 176.300 0.095 0.000 1.134 334 R CA 1.167 57.312 56.100 0.075 0.000 0.952 334 R CB -0.275 30.056 30.300 0.052 0.000 0.850 334 R HN 0.395 8.665 8.270 0.000 0.000 0.433 335 Q N 0.646 120.479 119.800 0.054 0.000 2.030 335 Q HA -0.182 4.169 4.340 0.019 0.000 0.204 335 Q C 2.187 178.204 176.000 0.028 0.000 0.986 335 Q CA 1.425 57.247 55.803 0.032 0.000 0.843 335 Q CB -0.311 28.440 28.738 0.021 0.000 0.904 335 Q HN 0.194 8.464 8.270 0.000 0.000 0.420 336 L N 0.434 121.681 121.223 0.041 0.000 2.079 336 L HA -0.169 4.183 4.340 0.019 0.000 0.210 336 L C 2.172 179.072 176.870 0.050 0.000 1.081 336 L CA 1.634 56.495 54.840 0.034 0.000 0.752 336 L CB -0.847 41.234 42.059 0.036 0.000 0.896 336 L HN 0.192 8.422 8.230 0.000 0.000 0.433 337 F N -0.881 119.018 119.950 -0.085 0.000 2.102 337 F HA -0.173 4.365 4.527 0.019 0.000 0.298 337 F C 2.178 177.881 175.800 -0.161 0.000 1.105 337 F CA 1.898 59.822 58.000 -0.126 0.000 1.239 337 F CB -0.667 38.254 39.000 -0.131 0.000 0.991 337 F HN -0.078 8.222 8.300 0.000 0.000 0.474 338 V N 0.996 120.773 119.914 -0.228 0.000 2.295 338 V HA -0.321 3.810 4.120 0.019 0.000 0.246 338 V C 2.269 178.221 176.094 -0.236 0.000 1.049 338 V CA 2.135 64.249 62.300 -0.310 0.000 1.024 338 V CB -0.852 30.891 31.823 -0.134 0.000 0.648 338 V HN 0.341 8.531 8.190 0.000 0.000 0.447 339 N N 0.278 118.897 118.700 -0.134 0.000 2.069 339 N HA -0.152 4.599 4.740 0.019 0.000 0.191 339 N C 1.907 177.344 175.510 -0.122 0.000 1.031 339 N CA 2.120 55.112 53.050 -0.097 0.000 0.852 339 N CB -0.866 37.589 38.487 -0.053 0.000 1.018 339 N HN 0.451 8.831 8.380 0.000 0.000 0.423 340 T N 1.778 116.248 114.554 -0.139 0.000 2.833 340 T HA -0.058 4.303 4.350 0.019 0.000 0.269 340 T C 1.872 176.449 174.700 -0.205 0.000 1.054 340 T CA 0.415 62.433 62.100 -0.136 0.000 1.135 340 T CB -0.175 68.636 68.868 -0.096 0.000 0.869 340 T HN 0.007 8.247 8.240 0.000 0.000 0.466 341 L N 1.498 122.509 121.223 -0.354 0.000 1.994 341 L HA -0.066 4.285 4.340 0.019 0.000 0.208 341 L C 2.596 179.334 176.870 -0.220 0.000 1.071 341 L CA 1.733 56.318 54.840 -0.424 0.000 0.745 341 L CB -1.192 40.400 42.059 -0.779 0.000 0.892 341 L HN 0.202 8.432 8.230 0.000 0.000 0.431 342 Q N -0.300 119.402 119.800 -0.163 0.000 2.061 342 Q HA -0.220 4.131 4.340 0.019 0.000 0.204 342 Q C 2.093 178.057 176.000 -0.061 0.000 0.984 342 Q CA 1.594 57.353 55.803 -0.074 0.000 0.846 342 Q CB -0.558 28.150 28.738 -0.051 0.000 0.902 342 Q HN 0.587 8.857 8.270 0.000 0.000 0.421 343 E N 0.736 120.893 120.200 -0.072 0.000 2.077 343 E HA -0.165 4.196 4.350 0.019 0.000 0.193 343 E C 1.687 178.258 176.600 -0.049 0.000 0.989 343 E CA 0.934 57.303 56.400 -0.051 0.000 0.800 343 E CB -0.020 29.650 29.700 -0.050 0.000 0.746 343 E HN 0.079 8.439 8.360 0.000 0.000 0.452 344 K N -0.456 119.902 120.400 -0.069 0.000 2.574 344 K HA -0.016 4.315 4.320 0.019 0.000 0.193 344 K C 0.416 176.988 176.600 -0.046 0.000 1.035 344 K CA 0.694 56.944 56.287 -0.061 0.000 0.982 344 K CB 0.174 32.622 32.500 -0.086 0.000 0.795 344 K HN 0.285 8.535 8.250 0.000 0.000 0.491 345 G N -0.482 108.296 108.800 -0.038 0.000 2.325 345 G HA2 -0.191 3.781 3.960 0.019 0.000 0.248 345 G HA3 -0.191 3.781 3.960 0.019 0.000 0.248 345 G C -0.050 174.847 174.900 -0.006 0.000 1.108 345 G CA -0.156 44.934 45.100 -0.016 0.000 0.881 345 G HN 0.442 8.732 8.290 0.000 0.000 0.494 346 A N -0.381 122.434 122.820 -0.008 0.000 2.425 346 A HA 0.665 4.996 4.320 0.019 0.000 0.249 346 A C 1.217 178.852 177.584 0.084 0.000 1.084 346 A CA 0.862 52.924 52.037 0.042 0.000 0.781 346 A CB 0.411 19.437 19.000 0.044 0.000 1.019 346 A HN 0.706 8.856 8.150 0.000 0.000 0.490 347 N N 0.942 119.709 118.700 0.112 0.000 2.048 347 N HA -0.093 4.659 4.740 0.019 0.000 0.193 347 N C 0.602 176.156 175.510 0.074 0.000 1.061 347 N CA 1.555 54.656 53.050 0.085 0.000 0.849 347 N CB -0.156 38.383 38.487 0.087 0.000 1.044 347 N HN 0.765 9.145 8.380 0.000 0.000 0.429 348 R N 0.091 120.637 120.500 0.076 0.000 2.543 348 R HA 0.335 4.686 4.340 0.019 0.000 0.268 348 R C -0.681 175.573 176.300 -0.077 0.000 1.067 348 R CA -0.636 55.432 56.100 -0.054 0.000 1.142 348 R CB 0.138 30.320 30.300 -0.196 0.000 1.110 348 R HN 0.228 8.498 8.270 0.000 0.000 0.549 349 D N -0.446 119.887 120.400 -0.112 0.000 2.350 349 D HA 0.101 4.752 4.640 0.019 0.000 0.249 349 D C -0.708 175.464 176.300 -0.213 0.000 1.119 349 D CA -0.071 53.902 54.000 -0.045 0.000 0.886 349 D CB 0.419 41.232 40.800 0.021 0.000 1.195 349 D HN 0.478 8.848 8.370 0.000 0.000 0.437 350 F N 1.195 121.062 119.950 -0.138 0.000 2.772 350 F HA 0.102 4.640 4.527 0.018 0.000 0.316 350 F C 2.192 177.621 175.800 -0.617 0.000 1.114 350 F CA -0.242 57.470 58.000 -0.480 0.000 1.191 350 F CB 0.211 38.938 39.000 -0.454 0.000 1.065 350 F HN 0.433 8.733 8.300 0.000 0.000 0.534 351 S N 0.445 116.072 115.700 -0.121 0.000 2.440 351 S HA -0.288 4.193 4.470 0.019 0.000 0.238 351 S C 1.984 176.554 174.600 -0.050 0.000 1.010 351 S CA 1.409 59.571 58.200 -0.063 0.000 0.972 351 S CB -1.313 61.901 63.200 0.023 0.000 0.774 351 S HN 0.513 8.823 8.310 0.000 0.000 0.501 352 F N 1.472 121.467 119.950 0.074 0.000 2.333 352 F HA 0.139 4.677 4.527 0.018 0.000 0.300 352 F C 1.849 177.715 175.800 0.110 0.000 1.083 352 F CA -0.074 57.976 58.000 0.084 0.000 1.395 352 F CB -0.805 38.236 39.000 0.069 0.000 1.056 352 F HN 0.095 8.395 8.300 0.000 0.000 0.529 353 I N 1.677 122.008 120.570 -0.398 0.000 2.335 353 I HA -0.260 3.921 4.170 0.019 0.000 0.251 353 I C 2.389 178.532 176.117 0.043 0.000 1.129 353 I CA 1.201 62.435 61.300 -0.111 0.000 1.402 353 I CB -0.910 37.019 38.000 -0.119 0.000 1.069 353 I HN 0.277 8.487 8.210 0.000 0.000 0.424 354 I N 0.988 121.573 120.570 0.025 0.000 2.676 354 I HA -0.194 3.987 4.170 0.019 0.000 0.259 354 I C 1.752 177.920 176.117 0.086 0.000 1.194 354 I CA 1.077 62.409 61.300 0.054 0.000 1.473 354 I CB -0.934 37.087 38.000 0.036 0.000 1.096 354 I HN 0.267 8.477 8.210 0.000 0.000 0.443 355 K N 0.650 121.123 120.400 0.122 0.000 2.404 355 K HA 0.123 4.454 4.320 0.019 0.000 0.194 355 K C 0.385 177.080 176.600 0.158 0.000 1.023 355 K CA 0.066 56.434 56.287 0.136 0.000 1.094 355 K CB 0.028 32.617 32.500 0.148 0.000 0.841 355 K HN 0.375 8.625 8.250 0.000 0.000 0.523 356 Q N 1.196 121.098 119.800 0.171 0.000 2.245 356 Q HA 0.259 4.610 4.340 0.019 0.000 0.256 356 Q C -0.704 175.377 176.000 0.134 0.000 0.942 356 Q CA -0.789 55.122 55.803 0.179 0.000 0.896 356 Q CB 1.201 30.074 28.738 0.226 0.000 1.272 356 Q HN 0.108 8.378 8.270 0.000 0.000 0.442 357 N N 0.879 119.663 118.700 0.140 0.000 2.456 357 N HA 0.599 5.351 4.740 0.019 0.000 0.296 357 N C 0.182 175.724 175.510 0.054 0.000 1.102 357 N CA 0.265 53.384 53.050 0.115 0.000 0.924 357 N CB 1.684 40.265 38.487 0.157 0.000 1.186 357 N HN 0.858 9.238 8.380 0.000 0.000 0.492 358 G N 0.290 109.103 108.800 0.022 0.000 2.627 358 G HA2 -0.238 3.733 3.960 0.019 0.000 0.214 358 G HA3 -0.238 3.733 3.960 0.019 0.000 0.214 358 G C 0.568 175.334 174.900 -0.224 0.000 1.331 358 G CA -0.188 44.833 45.100 -0.131 0.000 0.891 358 G HN 0.480 8.770 8.290 0.000 0.000 0.539 359 M N -0.417 118.869 119.600 -0.523 0.000 2.419 359 M HA 0.256 4.747 4.480 0.019 0.000 0.264 359 M C 0.299 176.154 176.300 -0.742 0.000 1.082 359 M CA 1.145 56.038 55.300 -0.679 0.000 1.119 359 M CB 0.002 31.986 32.600 -1.026 0.000 1.398 359 M HN 0.264 8.554 8.290 0.000 0.000 0.453 360 F N -0.870 118.965 119.950 -0.191 0.000 2.507 360 F HA 0.574 5.112 4.527 0.018 0.000 0.327 360 F C 0.179 175.886 175.800 -0.155 0.000 1.068 360 F CA -0.949 56.935 58.000 -0.193 0.000 0.965 360 F CB 1.580 40.434 39.000 -0.244 0.000 1.192 360 F HN -0.310 7.990 8.300 0.000 0.000 0.476 361 S N 0.606 116.328 115.700 0.038 0.000 2.552 361 S HA 0.530 5.011 4.470 0.019 0.000 0.272 361 S C -1.720 172.852 174.600 -0.047 0.000 1.150 361 S CA -0.732 57.486 58.200 0.031 0.000 0.849 361 S CB 0.915 64.205 63.200 0.149 0.000 1.113 361 S HN 0.300 8.610 8.310 0.000 0.000 0.458 362 F N 2.688 122.744 119.950 0.177 0.000 2.411 362 F HA 0.251 4.789 4.527 0.018 0.000 0.355 362 F C 1.860 177.847 175.800 0.311 0.000 1.117 362 F CA -0.403 57.704 58.000 0.178 0.000 1.139 362 F CB 1.350 40.412 39.000 0.103 0.000 1.120 362 F HN 0.702 9.002 8.300 0.000 0.000 0.493 363 S N 1.808 117.794 115.700 0.476 0.000 2.453 363 S HA 0.095 4.577 4.470 0.019 0.000 0.231 363 S C 1.783 176.717 174.600 0.556 0.000 1.005 363 S CA 0.659 59.171 58.200 0.520 0.000 0.949 363 S CB -0.447 62.992 63.200 0.397 0.000 0.774 363 S HN 1.267 9.577 8.310 0.000 0.000 0.510 364 G N 0.191 109.263 108.800 0.454 0.000 2.175 364 G HA2 -0.189 3.782 3.960 0.019 0.000 0.244 364 G HA3 -0.189 3.782 3.960 0.019 0.000 0.244 364 G C -0.139 174.928 174.900 0.278 0.000 0.982 364 G CA 0.123 45.445 45.100 0.369 0.000 0.641 364 G HN 0.465 8.755 8.290 0.000 0.000 0.527 365 L N 1.861 123.257 121.223 0.288 0.000 2.452 365 L HA 0.590 4.941 4.340 0.019 0.000 0.267 365 L C 1.606 178.573 176.870 0.161 0.000 1.188 365 L CA 0.537 55.508 54.840 0.218 0.000 0.821 365 L CB 0.847 43.030 42.059 0.207 0.000 1.102 365 L HN 0.501 8.731 8.230 0.000 0.000 0.470 366 T N -0.633 113.994 114.554 0.122 0.000 2.902 366 T HA 0.203 4.564 4.350 0.019 0.000 0.280 366 T C 1.110 175.858 174.700 0.080 0.000 0.992 366 T CA -0.613 61.540 62.100 0.089 0.000 1.015 366 T CB 0.855 69.764 68.868 0.068 0.000 1.044 366 T HN 0.545 8.785 8.240 0.000 0.000 0.520 367 K N 0.512 120.951 120.400 0.064 0.000 2.113 367 K HA -0.176 4.155 4.320 0.019 0.000 0.208 367 K C 1.754 178.384 176.600 0.049 0.000 1.047 367 K CA 1.955 58.275 56.287 0.055 0.000 0.928 367 K CB -0.315 32.209 32.500 0.041 0.000 0.716 367 K HN 0.740 8.990 8.250 0.000 0.000 0.446 368 E N 0.278 120.507 120.200 0.048 0.000 2.208 368 E HA -0.101 4.260 4.350 0.019 0.000 0.193 368 E C 2.085 178.718 176.600 0.056 0.000 0.988 368 E CA 0.865 57.292 56.400 0.045 0.000 0.828 368 E CB 0.046 29.770 29.700 0.041 0.000 0.763 368 E HN 0.365 8.725 8.360 0.000 0.000 0.478 369 Q N -0.138 119.702 119.800 0.067 0.000 2.083 369 Q HA -0.063 4.288 4.340 0.019 0.000 0.198 369 Q C 2.176 178.220 176.000 0.073 0.000 0.969 369 Q CA 1.047 56.897 55.803 0.078 0.000 0.838 369 Q CB 0.073 28.866 28.738 0.090 0.000 0.900 369 Q HN 0.147 8.417 8.270 0.000 0.000 0.436 370 V N 1.329 121.284 119.914 0.068 0.000 2.287 370 V HA -0.283 3.848 4.120 0.019 0.000 0.248 370 V C 2.193 178.298 176.094 0.020 0.000 1.053 370 V CA 1.555 63.885 62.300 0.050 0.000 1.027 370 V CB -0.524 31.333 31.823 0.056 0.000 0.646 370 V HN 0.423 8.613 8.190 0.000 0.000 0.447 371 L N -0.543 120.693 121.223 0.022 0.000 2.042 371 L HA -0.232 4.119 4.340 0.019 0.000 0.210 371 L C 2.825 179.704 176.870 0.015 0.000 1.076 371 L CA 1.869 56.712 54.840 0.004 0.000 0.749 371 L CB -0.372 41.696 42.059 0.015 0.000 0.893 371 L HN 0.292 8.522 8.230 0.000 0.000 0.432 372 R N -0.322 120.210 120.500 0.054 0.000 2.073 372 R HA -0.180 4.171 4.340 0.019 0.000 0.234 372 R C 2.349 178.750 176.300 0.168 0.000 1.134 372 R CA 1.343 57.502 56.100 0.098 0.000 0.952 372 R CB -0.297 30.079 30.300 0.126 0.000 0.850 372 R HN 0.351 8.621 8.270 0.000 0.000 0.433 373 L N 0.174 121.493 121.223 0.160 0.000 2.043 373 L HA -0.283 4.068 4.340 0.019 0.000 0.212 373 L C 2.804 179.770 176.870 0.161 0.000 1.075 373 L CA 1.848 56.815 54.840 0.210 0.000 0.752 373 L CB -0.418 41.685 42.059 0.073 0.000 0.891 373 L HN 0.270 8.500 8.230 0.000 0.000 0.432 374 R N 0.074 120.556 120.500 -0.030 0.000 2.055 374 R HA -0.185 4.166 4.340 0.019 0.000 0.228 374 R C 2.196 178.438 176.300 -0.096 0.000 1.143 374 R CA 1.473 57.438 56.100 -0.226 0.000 0.945 374 R CB -0.189 29.829 30.300 -0.469 0.000 0.841 374 R HN 0.063 8.333 8.270 0.000 0.000 0.429 375 E N 0.470 120.635 120.200 -0.058 0.000 2.070 375 E HA -0.193 4.168 4.350 0.019 0.000 0.197 375 E C 1.778 178.345 176.600 -0.056 0.000 1.004 375 E CA 1.909 58.287 56.400 -0.037 0.000 0.805 375 E CB 0.033 29.719 29.700 -0.024 0.000 0.744 375 E HN 0.487 8.847 8.360 0.000 0.000 0.451 376 E N -2.052 118.105 120.200 -0.072 0.000 2.216 376 E HA 0.025 4.386 4.350 0.019 0.000 0.192 376 E C 0.857 177.139 176.600 -0.531 0.000 0.973 376 E CA 0.343 56.552 56.400 -0.317 0.000 0.851 376 E CB 0.198 29.648 29.700 -0.416 0.000 0.804 376 E HN 0.245 8.605 8.360 0.000 0.000 0.477 377 F N -1.319 118.643 119.950 0.020 0.000 2.728 377 F HA 0.318 4.857 4.527 0.019 0.000 0.314 377 F C 1.306 177.154 175.800 0.080 0.000 1.094 377 F CA 0.313 58.339 58.000 0.043 0.000 1.217 377 F CB 1.394 40.418 39.000 0.040 0.000 1.056 377 F HN 0.014 8.314 8.300 0.000 0.000 0.577 378 G N 1.274 110.209 108.800 0.225 0.000 2.153 378 G HA2 -0.256 3.715 3.960 0.019 0.000 0.252 378 G HA3 -0.256 3.715 3.960 0.019 0.000 0.252 378 G C -0.121 175.038 174.900 0.431 0.000 0.994 378 G CA 0.195 45.488 45.100 0.322 0.000 0.698 378 G HN 0.162 8.452 8.290 0.000 0.000 0.521 379 V N 0.851 120.925 119.914 0.267 0.000 2.383 379 V HA 0.532 4.663 4.120 0.019 0.000 0.275 379 V C -0.024 176.146 176.094 0.127 0.000 1.036 379 V CA -0.791 61.650 62.300 0.234 0.000 0.889 379 V CB 0.777 32.680 31.823 0.133 0.000 0.985 379 V HN 0.224 8.414 8.190 0.000 0.000 0.459 380 Y N 3.211 123.546 120.300 0.060 0.000 2.330 380 Y HA 0.756 5.317 4.550 0.018 0.000 0.336 380 Y C 0.414 176.305 175.900 -0.015 0.000 1.036 380 Y CA -0.370 57.747 58.100 0.029 0.000 1.125 380 Y CB 1.829 40.286 38.460 -0.005 0.000 1.194 380 Y HN 0.765 9.045 8.280 0.000 0.000 0.469 381 A N 1.765 124.640 122.820 0.093 0.000 2.609 381 A HA 0.757 5.088 4.320 0.019 0.000 0.291 381 A C -1.418 176.206 177.584 0.067 0.000 1.096 381 A CA -0.828 51.249 52.037 0.067 0.000 0.684 381 A CB 0.662 19.695 19.000 0.056 0.000 1.282 381 A HN 0.412 8.562 8.150 0.000 0.000 0.412 382 V N 1.216 121.168 119.914 0.063 0.000 2.811 382 V HA 0.354 4.485 4.120 0.019 0.000 0.302 382 V C 1.856 177.998 176.094 0.080 0.000 1.063 382 V CA 0.582 62.920 62.300 0.063 0.000 1.088 382 V CB 0.975 32.826 31.823 0.046 0.000 0.982 382 V HN 1.430 9.620 8.190 0.000 0.000 0.485 383 A N 2.933 125.796 122.820 0.071 0.000 2.076 383 A HA -0.136 4.196 4.320 0.019 0.000 0.220 383 A C 2.217 179.861 177.584 0.100 0.000 1.160 383 A CA 1.907 53.986 52.037 0.071 0.000 0.653 383 A CB -0.625 18.406 19.000 0.052 0.000 0.801 383 A HN 1.099 9.249 8.150 0.000 0.000 0.455 384 S N -2.048 113.735 115.700 0.137 0.000 2.515 384 S HA 0.321 4.802 4.470 0.019 0.000 0.231 384 S C 1.501 176.272 174.600 0.285 0.000 0.987 384 S CA 1.086 59.408 58.200 0.202 0.000 0.936 384 S CB -0.375 63.015 63.200 0.318 0.000 0.766 384 S HN 1.901 10.211 8.310 0.000 0.000 0.528 385 G N 1.244 110.187 108.800 0.239 0.000 2.157 385 G HA2 -0.281 3.690 3.960 0.019 0.000 0.239 385 G HA3 -0.281 3.690 3.960 0.019 0.000 0.239 385 G C 0.088 175.154 174.900 0.277 0.000 0.982 385 G CA -0.002 45.253 45.100 0.259 0.000 0.650 385 G HN 0.680 8.970 8.290 0.000 0.000 0.527 386 R N 0.389 121.018 120.500 0.215 0.000 2.537 386 R HA 0.480 4.831 4.340 0.019 0.000 0.280 386 R C 0.504 176.812 176.300 0.014 0.000 1.058 386 R CA 0.558 56.648 56.100 -0.017 0.000 1.057 386 R CB 0.633 30.805 30.300 -0.212 0.000 0.973 386 R HN 0.738 9.008 8.270 0.000 0.000 0.438 387 V N 1.338 121.256 119.914 0.007 0.000 2.962 387 V HA 0.447 4.578 4.120 0.019 0.000 0.313 387 V C -0.799 175.320 176.094 0.042 0.000 1.099 387 V CA -1.250 61.050 62.300 -0.001 0.000 0.971 387 V CB 2.005 33.780 31.823 -0.080 0.000 1.028 387 V HN 0.743 8.933 8.190 0.000 0.000 0.430 388 N N 2.364 121.065 118.700 0.001 0.000 2.501 388 N HA 0.256 5.008 4.740 0.019 0.000 0.245 388 N C 0.863 176.256 175.510 -0.197 0.000 0.974 388 N CA 0.102 53.106 53.050 -0.077 0.000 0.941 388 N CB 1.771 40.243 38.487 -0.024 0.000 1.122 388 N HN 0.968 9.348 8.380 0.000 0.000 0.507 389 V N 2.533 122.305 119.914 -0.237 0.000 2.688 389 V HA -0.103 4.029 4.120 0.019 0.000 0.256 389 V C 1.863 177.834 176.094 -0.205 0.000 1.084 389 V CA 1.955 64.109 62.300 -0.245 0.000 1.103 389 V CB -1.112 30.588 31.823 -0.205 0.000 0.688 389 V HN 0.554 8.744 8.190 0.000 0.000 0.480 390 A N 0.962 123.655 122.820 -0.212 0.000 2.172 390 A HA 0.193 4.524 4.320 0.019 0.000 0.216 390 A C 2.170 179.600 177.584 -0.256 0.000 1.154 390 A CA 1.255 53.148 52.037 -0.241 0.000 0.701 390 A CB -1.072 17.762 19.000 -0.277 0.000 0.789 390 A HN 0.771 8.921 8.150 0.000 0.000 0.465 391 G N -1.224 107.447 108.800 -0.214 0.000 2.920 391 G HA2 0.299 4.270 3.960 0.019 0.000 0.208 391 G HA3 0.299 4.270 3.960 0.019 0.000 0.208 391 G C 0.533 175.336 174.900 -0.162 0.000 1.159 391 G CA -0.156 44.830 45.100 -0.190 0.000 0.784 391 G HN 0.466 8.756 8.290 0.000 0.000 0.535 392 M N 1.202 120.703 119.600 -0.166 0.000 2.367 392 M HA 0.487 4.978 4.480 0.019 0.000 0.339 392 M C -0.004 176.241 176.300 -0.092 0.000 1.177 392 M CA -0.319 54.905 55.300 -0.127 0.000 1.068 392 M CB 2.228 34.736 32.600 -0.153 0.000 1.602 392 M HN 0.057 8.347 8.290 0.000 0.000 0.457 393 T N -1.749 112.772 114.554 -0.055 0.000 2.900 393 T HA 0.487 4.848 4.350 0.019 0.000 0.303 393 T C -2.563 172.129 174.700 -0.013 0.000 1.142 393 T CA -1.782 60.296 62.100 -0.036 0.000 1.007 393 T CB 1.732 70.579 68.868 -0.035 0.000 1.156 393 T HN 0.312 8.552 8.240 0.000 0.000 0.490 394 P HA -0.075 4.345 4.420 0.000 0.000 0.217 394 P C 0.861 178.163 177.300 0.004 0.000 1.148 394 P CA 1.077 64.179 63.100 0.002 0.000 0.828 394 P CB 0.065 31.766 31.700 0.002 0.000 0.783 395 D N -0.760 119.641 120.400 0.002 0.000 2.123 395 D HA -0.103 4.548 4.640 0.019 0.000 0.200 395 D C 1.449 177.756 176.300 0.011 0.000 0.976 395 D CA 1.198 55.202 54.000 0.006 0.000 0.831 395 D CB -0.618 40.185 40.800 0.005 0.000 0.974 395 D HN 0.309 8.679 8.370 0.000 0.000 0.469 396 N N -0.191 118.514 118.700 0.009 0.000 2.280 396 N HA -0.031 4.721 4.740 0.019 0.000 0.192 396 N C 1.446 176.968 175.510 0.021 0.000 1.109 396 N CA 0.097 53.157 53.050 0.017 0.000 0.855 396 N CB -0.223 38.273 38.487 0.016 0.000 0.974 396 N HN -0.038 8.342 8.380 0.000 0.000 0.482 397 M N 1.265 120.877 119.600 0.020 0.000 2.073 397 M HA -0.007 4.484 4.480 0.019 0.000 0.258 397 M C 1.957 178.274 176.300 0.029 0.000 1.070 397 M CA 1.706 57.029 55.300 0.037 0.000 1.103 397 M CB -0.862 31.761 32.600 0.038 0.000 1.321 397 M HN 0.296 8.586 8.290 0.000 0.000 0.405 398 A N 0.437 123.265 122.820 0.014 0.000 1.851 398 A HA -0.135 4.196 4.320 0.019 0.000 0.216 398 A C -0.217 177.370 177.584 0.005 0.000 1.195 398 A CA 2.076 54.114 52.037 0.003 0.000 0.622 398 A CB -2.460 16.543 19.000 0.004 0.000 0.831 398 A HN 0.490 8.640 8.150 0.000 0.000 0.444 399 P HA -0.143 4.277 4.420 0.000 0.000 0.216 399 P C 1.706 179.015 177.300 0.017 0.000 1.150 399 P CA 1.100 64.220 63.100 0.033 0.000 0.837 399 P CB -0.223 31.511 31.700 0.056 0.000 0.786 400 L N 0.278 121.515 121.223 0.023 0.000 1.989 400 L HA -0.156 4.195 4.340 0.019 0.000 0.211 400 L C 2.318 179.181 176.870 -0.012 0.000 1.071 400 L CA 1.974 56.827 54.840 0.021 0.000 0.749 400 L CB -1.550 40.538 42.059 0.048 0.000 0.890 400 L HN -0.034 8.196 8.230 0.000 0.000 0.431 401 C N -0.401 118.893 119.300 -0.010 0.000 2.435 401 C HA -0.103 4.369 4.460 0.019 0.000 0.279 401 C C 2.618 177.533 174.990 -0.126 0.000 1.321 401 C CA 0.819 59.786 59.018 -0.085 0.000 1.752 401 C CB -0.967 26.696 27.740 -0.128 0.000 1.959 401 C HN 0.615 8.845 8.230 0.000 0.000 0.500 402 E N 0.775 120.916 120.200 -0.098 0.000 2.106 402 E HA -0.122 4.239 4.350 0.019 0.000 0.192 402 E C 2.272 178.742 176.600 -0.217 0.000 0.984 402 E CA 1.236 57.573 56.400 -0.104 0.000 0.806 402 E CB -0.133 29.544 29.700 -0.039 0.000 0.750 402 E HN 0.644 9.004 8.360 0.000 0.000 0.458 403 A N 0.548 123.172 122.820 -0.327 0.000 1.873 403 A HA -0.150 4.181 4.320 0.019 0.000 0.215 403 A C 2.121 179.319 177.584 -0.643 0.000 1.186 403 A CA 1.011 52.547 52.037 -0.835 0.000 0.616 403 A CB -0.523 18.040 19.000 -0.729 0.000 0.823 403 A HN 0.200 8.350 8.150 0.000 0.000 0.442 404 I N -0.369 120.014 120.570 -0.313 0.000 2.127 404 I HA -0.175 4.006 4.170 0.019 0.000 0.241 404 I C 1.397 177.428 176.117 -0.144 0.000 1.075 404 I CA 0.490 61.683 61.300 -0.178 0.000 1.334 404 I CB -0.465 37.474 38.000 -0.102 0.000 1.040 404 I HN 0.096 8.306 8.210 0.000 0.000 0.405 408 V N -0.971 118.923 119.914 -0.033 0.000 3.644 408 V HA 0.449 4.580 4.120 0.019 0.000 0.267 408 V C 1.039 177.167 176.094 0.057 0.000 1.277 408 V CA 0.002 62.326 62.300 0.040 0.000 1.096 408 V CB -0.762 31.086 31.823 0.042 0.000 0.828 408 V HN 0.345 8.535 8.190 0.000 0.000 0.446 409 L N 0.000 121.255 121.223 0.053 0.000 2.949 409 L HA 0.000 4.351 4.340 0.019 0.000 0.249 409 L CA 0.000 54.887 54.840 0.079 0.000 0.813 409 L CB 0.000 42.118 42.059 0.098 0.000 0.961 409 L HN 0.000 8.230 8.230 0.000 0.000 0.502