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 3ov2_1_C DATA FIRST_RESID 2 DATA SEQUENCE ANLHALRREQ RAQGPATIMA IGTATPPNLY EQSTFPDFYF RVTNSDDKQE DATA SEQUENCE LKKKFRRMCE KTMVKKRYLH LTEEILKERP KLCSYKEASF DDRQDIVVEE DATA SEQUENCE IPRLAKEAAE KAIKEWGRPK SEITHLVFCS ISGIDMPGAD YRLATLLGLP DATA SEQUENCE LTVNRLMIYS QACHMGAAML RIAKDLAENN RGARVLVVAC EITVLSFRGP DATA SEQUENCE NEGDFEALAG QAGFGDGAGA VVVGADPLEG IEKPIYEIAA AMQETVAESQ DATA SEQUENCE GAVGGHLRAF GWTFYFLNQL PAIIADNLGR SLERALAPLG VREWNDVFWV DATA SEQUENCE AHPGNWAIID AIEAKLQLSP DKLSTARHVF TEYGNMQSAT VYFVMDELRK DATA SEQUENCE RSAVEGRSTT GDGLQWGVLL GFGPGLSIET VVLRSMPLHH HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 4.320 4.320 0.000 0.000 0.244 2 A C 0.000 177.601 177.584 0.029 0.000 1.274 2 A CA 0.000 52.055 52.037 0.030 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 N N 1.867 120.587 118.700 0.034 0.000 2.762 3 N HA 0.369 5.115 4.740 0.010 0.000 0.252 3 N C 0.555 176.100 175.510 0.058 0.000 1.269 3 N CA -0.386 52.693 53.050 0.049 0.000 0.799 3 N CB 0.753 39.265 38.487 0.041 0.000 1.173 3 N HN 0.528 8.908 8.380 0.000 0.000 0.516 4 L N 0.602 121.866 121.223 0.068 0.000 2.341 4 L HA 0.004 4.349 4.340 0.010 0.000 0.214 4 L C 1.551 178.448 176.870 0.044 0.000 1.115 4 L CA 0.518 55.387 54.840 0.048 0.000 0.820 4 L CB -0.145 41.935 42.059 0.035 0.000 0.944 4 L HN 0.492 8.722 8.230 0.000 0.000 0.452 5 H N -0.022 119.053 119.070 0.008 0.000 2.353 5 H HA -0.096 4.466 4.556 0.011 0.000 0.300 5 H C 2.259 177.593 175.328 0.008 0.000 1.090 5 H CA 1.694 57.747 56.048 0.008 0.000 1.327 5 H CB 0.207 29.973 29.762 0.007 0.000 1.383 5 H HN 0.305 8.585 8.280 0.000 0.000 0.508 6 A N 0.031 122.928 122.820 0.129 0.000 1.929 6 A HA -0.067 4.259 4.320 0.010 0.000 0.216 6 A C 2.245 179.852 177.584 0.039 0.000 1.176 6 A CA 1.093 53.173 52.037 0.072 0.000 0.628 6 A CB -0.669 18.366 19.000 0.058 0.000 0.816 6 A HN 0.389 8.539 8.150 0.000 0.000 0.444 7 L N -0.278 120.963 121.223 0.031 0.000 2.012 7 L HA -0.161 4.185 4.340 0.010 0.000 0.210 7 L C 2.402 179.274 176.870 0.003 0.000 1.073 7 L CA 2.385 57.234 54.840 0.016 0.000 0.748 7 L CB -0.514 41.553 42.059 0.014 0.000 0.891 7 L HN 0.342 8.572 8.230 0.000 0.000 0.431 8 R N -0.291 120.199 120.500 -0.017 0.000 2.096 8 R HA -0.218 4.128 4.340 0.010 0.000 0.240 8 R C 2.521 178.808 176.300 -0.023 0.000 1.139 8 R CA 2.014 58.089 56.100 -0.041 0.000 0.952 8 R CB -0.472 29.763 30.300 -0.110 0.000 0.854 8 R HN 0.356 8.626 8.270 0.000 0.000 0.436 9 R N 0.322 120.818 120.500 -0.007 0.000 2.096 9 R HA -0.183 4.163 4.340 0.010 0.000 0.240 9 R C 2.019 178.325 176.300 0.011 0.000 1.139 9 R CA 2.219 58.325 56.100 0.009 0.000 0.952 9 R CB -0.191 30.126 30.300 0.028 0.000 0.854 9 R HN 0.582 8.852 8.270 0.000 0.000 0.436 10 E N -1.084 119.124 120.200 0.013 0.000 2.299 10 E HA -0.152 4.204 4.350 0.010 0.000 0.193 10 E C 1.650 178.258 176.600 0.014 0.000 0.998 10 E CA 0.483 56.892 56.400 0.014 0.000 0.851 10 E CB 0.060 29.770 29.700 0.016 0.000 0.795 10 E HN 0.191 8.551 8.360 0.000 0.000 0.492 11 Q N 1.271 121.077 119.800 0.010 0.000 2.424 11 Q HA 0.061 4.406 4.340 0.010 0.000 0.204 11 Q C 0.457 176.465 176.000 0.013 0.000 0.933 11 Q CA 0.451 56.262 55.803 0.013 0.000 0.929 11 Q CB 0.180 28.924 28.738 0.010 0.000 1.037 11 Q HN 0.334 8.604 8.270 0.000 0.000 0.511 12 R N -1.026 119.478 120.500 0.007 0.000 2.532 12 R HA 0.740 5.086 4.340 0.010 0.000 0.272 12 R C -0.407 175.900 176.300 0.011 0.000 1.032 12 R CA -0.322 55.782 56.100 0.006 0.000 1.089 12 R CB 0.820 31.118 30.300 -0.004 0.000 1.098 12 R HN -0.066 8.204 8.270 0.000 0.000 0.526 13 A N 1.185 124.011 122.820 0.010 0.000 2.287 13 A HA 0.149 4.475 4.320 0.010 0.000 0.273 13 A C 0.492 178.084 177.584 0.013 0.000 1.091 13 A CA -0.599 51.447 52.037 0.014 0.000 0.817 13 A CB 0.802 19.810 19.000 0.013 0.000 1.069 13 A HN 0.884 9.034 8.150 0.000 0.000 0.492 14 Q N 0.627 120.437 119.800 0.017 0.000 2.274 14 Q HA 0.126 4.471 4.340 0.010 0.000 0.198 14 Q C 1.303 177.315 176.000 0.020 0.000 0.955 14 Q CA 1.210 57.023 55.803 0.018 0.000 0.859 14 Q CB -0.695 28.054 28.738 0.019 0.000 0.956 14 Q HN 0.857 9.127 8.270 0.000 0.000 0.516 15 G N 2.367 111.181 108.800 0.023 0.000 2.563 15 G HA2 0.375 4.341 3.960 0.010 0.000 0.283 15 G HA3 0.375 4.341 3.960 0.010 0.000 0.283 15 G C -2.323 172.593 174.900 0.027 0.000 1.309 15 G CA -0.848 44.268 45.100 0.027 0.000 1.022 15 G HN 0.028 8.318 8.290 0.000 0.000 0.501 16 P HA 0.332 4.752 4.420 0.000 0.000 0.274 16 P C -0.149 177.169 177.300 0.031 0.000 1.237 16 P CA -0.121 63.001 63.100 0.037 0.000 0.793 16 P CB 0.886 32.619 31.700 0.056 0.000 0.977 17 A N 2.106 124.940 122.820 0.023 0.000 2.498 17 A HA 0.463 4.789 4.320 0.010 0.000 0.239 17 A C 0.684 178.288 177.584 0.034 0.000 1.068 17 A CA 0.409 52.455 52.037 0.015 0.000 0.766 17 A CB -0.680 18.320 19.000 0.000 0.000 1.003 17 A HN 0.687 8.837 8.150 0.000 0.000 0.497 18 T N -0.347 114.225 114.554 0.030 0.000 2.900 18 T HA 0.654 5.010 4.350 0.010 0.000 0.295 18 T C -0.479 174.244 174.700 0.039 0.000 1.044 18 T CA -0.572 61.556 62.100 0.048 0.000 0.995 18 T CB 0.848 69.743 68.868 0.045 0.000 1.072 18 T HN 0.415 8.655 8.240 0.000 0.000 0.473 19 I N 3.132 123.748 120.570 0.077 0.000 2.312 19 I HA 0.268 4.444 4.170 0.010 0.000 0.291 19 I C 1.081 177.227 176.117 0.049 0.000 1.031 19 I CA -0.564 60.781 61.300 0.075 0.000 1.293 19 I CB 1.024 39.126 38.000 0.170 0.000 1.403 19 I HN 0.668 8.878 8.210 0.000 0.000 0.484 20 M N 5.306 124.912 119.600 0.010 0.000 2.414 20 M HA 0.400 4.886 4.480 0.010 0.000 0.251 20 M C 0.256 176.596 176.300 0.066 0.000 1.116 20 M CA 0.209 55.538 55.300 0.048 0.000 1.056 20 M CB 0.631 33.286 32.600 0.092 0.000 1.388 20 M HN 0.704 8.993 8.290 0.000 0.000 0.487 21 A N 0.950 123.785 122.820 0.025 0.000 2.590 21 A HA 0.730 5.056 4.320 0.010 0.000 0.296 21 A C -1.631 175.958 177.584 0.008 0.000 1.050 21 A CA -0.696 51.361 52.037 0.033 0.000 0.697 21 A CB 1.172 20.220 19.000 0.080 0.000 1.277 21 A HN 0.212 8.362 8.150 0.000 0.000 0.411 22 I N 1.119 121.691 120.570 0.003 0.000 2.534 22 I HA 0.641 4.817 4.170 0.010 0.000 0.288 22 I C 0.392 176.470 176.117 -0.065 0.000 1.077 22 I CA -0.583 60.711 61.300 -0.010 0.000 1.051 22 I CB 2.499 40.519 38.000 0.032 0.000 1.234 22 I HN 0.856 9.066 8.210 0.000 0.000 0.425 23 G N 2.894 111.626 108.800 -0.114 0.000 2.542 23 G HA2 0.763 4.729 3.960 0.010 0.000 0.311 23 G HA3 0.763 4.729 3.960 0.010 0.000 0.311 23 G C -0.820 173.936 174.900 -0.239 0.000 1.298 23 G CA -0.512 44.499 45.100 -0.149 0.000 0.973 23 G HN 0.592 8.882 8.290 0.000 0.000 0.487 24 T N -1.841 112.530 114.554 -0.305 0.000 2.896 24 T HA 0.883 5.239 4.350 0.010 0.000 0.297 24 T C -0.483 174.065 174.700 -0.254 0.000 1.108 24 T CA -0.399 61.408 62.100 -0.487 0.000 1.004 24 T CB 2.155 70.270 68.868 -1.255 0.000 1.159 24 T HN 1.928 10.168 8.240 0.000 0.000 0.499 25 A N 1.314 124.081 122.820 -0.089 0.000 2.589 25 A HA 0.897 5.223 4.320 0.010 0.000 0.296 25 A C -0.165 177.529 177.584 0.184 0.000 1.062 25 A CA -0.512 51.549 52.037 0.040 0.000 0.686 25 A CB 1.414 20.423 19.000 0.014 0.000 1.282 25 A HN 1.713 9.863 8.150 0.000 0.000 0.404 26 T N -0.557 114.068 114.554 0.118 0.000 2.901 26 T HA 0.853 5.208 4.350 0.010 0.000 0.293 26 T C -3.089 171.684 174.700 0.121 0.000 1.084 26 T CA -2.003 60.171 62.100 0.123 0.000 1.008 26 T CB 1.447 70.322 68.868 0.013 0.000 1.170 26 T HN 0.365 8.605 8.240 0.000 0.000 0.509 27 P HA 0.186 4.606 4.420 0.000 0.000 0.268 27 P C -1.782 175.656 177.300 0.230 0.000 1.208 27 P CA -1.258 61.974 63.100 0.219 0.000 0.777 27 P CB 0.043 31.908 31.700 0.276 0.000 0.875 28 P HA -0.057 4.363 4.420 0.000 0.000 0.233 28 P C -0.365 177.059 177.300 0.207 0.000 1.167 28 P CA 0.957 64.160 63.100 0.171 0.000 0.770 28 P CB 0.207 31.970 31.700 0.106 0.000 0.837 29 N N 1.522 120.347 118.700 0.209 0.000 2.406 29 N HA 0.144 4.890 4.740 0.010 0.000 0.251 29 N C -0.074 175.471 175.510 0.059 0.000 1.069 29 N CA -0.387 52.721 53.050 0.097 0.000 0.947 29 N CB 1.006 39.558 38.487 0.107 0.000 1.111 29 N HN 0.067 8.447 8.380 0.000 0.000 0.497 30 L N 3.397 124.538 121.223 -0.137 0.000 2.367 30 L HA 0.253 4.599 4.340 0.010 0.000 0.275 30 L C -1.177 175.400 176.870 -0.487 0.000 1.129 30 L CA -0.116 54.508 54.840 -0.361 0.000 0.839 30 L CB -0.039 41.848 42.059 -0.286 0.000 1.133 30 L HN 0.358 8.588 8.230 0.000 0.000 0.453 31 Y N 3.842 123.926 120.300 -0.360 0.000 2.464 31 Y HA 0.373 4.929 4.550 0.010 0.000 0.326 31 Y C 0.022 175.788 175.900 -0.223 0.000 0.969 31 Y CA -0.667 57.300 58.100 -0.221 0.000 1.270 31 Y CB 0.923 39.298 38.460 -0.141 0.000 1.103 31 Y HN 0.597 8.877 8.280 0.000 0.000 0.491 32 E N 2.254 122.411 120.200 -0.072 0.000 2.316 32 E HA -0.018 4.338 4.350 0.010 0.000 0.275 32 E C 0.532 177.142 176.600 0.017 0.000 1.029 32 E CA -0.248 56.108 56.400 -0.075 0.000 0.871 32 E CB 1.198 30.853 29.700 -0.074 0.000 1.022 32 E HN 0.629 8.989 8.360 0.000 0.000 0.418 33 Q N 1.981 121.745 119.800 -0.060 0.000 2.226 33 Q HA -0.169 4.177 4.340 0.010 0.000 0.204 33 Q C 1.857 177.875 176.000 0.030 0.000 0.975 33 Q CA 1.972 57.752 55.803 -0.039 0.000 0.866 33 Q CB 0.026 28.665 28.738 -0.164 0.000 0.915 33 Q HN 0.636 8.906 8.270 0.000 0.000 0.440 34 S N -1.505 114.195 115.700 -0.000 0.000 2.382 34 S HA -0.149 4.327 4.470 0.010 0.000 0.228 34 S C 1.844 176.478 174.600 0.056 0.000 1.027 34 S CA 1.463 59.665 58.200 0.004 0.000 0.991 34 S CB -0.715 62.474 63.200 -0.019 0.000 0.823 34 S HN 0.547 8.857 8.310 0.000 0.000 0.469 35 T N -2.744 111.871 114.554 0.102 0.000 3.054 35 T HA 0.321 4.677 4.350 0.010 0.000 0.255 35 T C 1.079 175.932 174.700 0.254 0.000 1.035 35 T CA -0.375 61.809 62.100 0.139 0.000 0.941 35 T CB -0.535 68.392 68.868 0.099 0.000 1.026 35 T HN 0.214 8.454 8.240 0.000 0.000 0.533 36 F N 3.637 123.686 119.950 0.166 0.000 2.126 36 F HA 0.121 4.654 4.527 0.010 0.000 0.299 36 F C -1.109 174.979 175.800 0.480 0.000 1.096 36 F CA 0.611 58.800 58.000 0.315 0.000 1.255 36 F CB -0.901 38.230 39.000 0.219 0.000 0.997 36 F HN 0.167 8.467 8.300 0.000 0.000 0.479 37 P HA -0.148 4.272 4.420 0.000 0.000 0.216 37 P C 1.189 178.710 177.300 0.369 0.000 1.150 37 P CA 1.892 65.275 63.100 0.471 0.000 0.837 37 P CB -0.065 31.792 31.700 0.263 0.000 0.786 38 D N -1.487 119.055 120.400 0.237 0.000 2.117 38 D HA -0.150 4.496 4.640 0.010 0.000 0.198 38 D C 1.786 178.207 176.300 0.201 0.000 0.982 38 D CA 0.969 55.081 54.000 0.187 0.000 0.828 38 D CB -0.762 40.120 40.800 0.138 0.000 0.967 38 D HN 0.147 8.517 8.370 0.000 0.000 0.464 39 F N 1.026 121.017 119.950 0.069 0.000 2.075 39 F HA -0.278 4.254 4.527 0.010 0.000 0.297 39 F C 2.413 178.226 175.800 0.023 0.000 1.113 39 F CA 1.236 59.260 58.000 0.040 0.000 1.218 39 F CB -0.567 38.467 39.000 0.055 0.000 0.984 39 F HN -0.104 8.196 8.300 0.000 0.000 0.472 40 Y N -0.226 119.975 120.300 -0.165 0.000 2.145 40 Y HA -0.250 4.306 4.550 0.010 0.000 0.286 40 Y C 1.999 177.757 175.900 -0.236 0.000 1.145 40 Y CA 1.916 59.861 58.100 -0.258 0.000 1.148 40 Y CB -1.003 37.286 38.460 -0.286 0.000 0.981 40 Y HN 0.117 8.397 8.280 0.000 0.000 0.507 41 F N -0.124 119.709 119.950 -0.197 0.000 2.325 41 F HA -0.010 4.523 4.527 0.010 0.000 0.299 41 F C 2.694 178.353 175.800 -0.234 0.000 1.090 41 F CA 1.484 59.337 58.000 -0.246 0.000 1.392 41 F CB -0.385 38.582 39.000 -0.056 0.000 1.053 41 F HN -0.057 8.243 8.300 0.000 0.000 0.521 42 R N 0.435 120.896 120.500 -0.065 0.000 2.055 42 R HA -0.090 4.256 4.340 0.010 0.000 0.226 42 R C 2.287 178.455 176.300 -0.219 0.000 1.135 42 R CA 1.637 57.670 56.100 -0.112 0.000 0.959 42 R CB -0.445 29.808 30.300 -0.078 0.000 0.854 42 R HN 0.247 8.517 8.270 0.000 0.000 0.431 43 V N -0.658 119.029 119.914 -0.378 0.000 2.913 43 V HA -0.049 4.077 4.120 0.010 0.000 0.260 43 V C 1.453 177.387 176.094 -0.267 0.000 1.098 43 V CA 1.886 63.963 62.300 -0.371 0.000 1.121 43 V CB -0.493 30.954 31.823 -0.628 0.000 0.714 43 V HN 0.484 8.674 8.190 0.000 0.000 0.487 44 T N -2.659 111.684 114.554 -0.352 0.000 3.186 44 T HA 0.271 4.627 4.350 0.010 0.000 0.257 44 T C 0.520 175.050 174.700 -0.284 0.000 1.029 44 T CA 0.236 62.127 62.100 -0.350 0.000 0.916 44 T CB -1.376 67.113 68.868 -0.632 0.000 1.041 44 T HN 0.633 8.873 8.240 0.000 0.000 0.562 45 N N 0.813 119.391 118.700 -0.204 0.000 2.705 45 N HA -0.158 4.588 4.740 0.010 0.000 0.255 45 N C 0.062 175.496 175.510 -0.128 0.000 1.008 45 N CA 0.534 53.505 53.050 -0.131 0.000 0.742 45 N CB -0.993 37.438 38.487 -0.094 0.000 0.906 45 N HN 0.404 8.784 8.380 0.000 0.000 0.541 46 S N -1.115 114.502 115.700 -0.139 0.000 2.730 46 S HA 0.083 4.559 4.470 0.010 0.000 0.244 46 S C 0.645 175.334 174.600 0.148 0.000 1.022 46 S CA -0.552 57.595 58.200 -0.088 0.000 1.014 46 S CB 0.592 63.546 63.200 -0.408 0.000 0.963 46 S HN 0.300 8.610 8.310 0.000 0.000 0.540 47 D N 2.923 123.383 120.400 0.100 0.000 2.351 47 D HA -0.107 4.539 4.640 0.010 0.000 0.216 47 D C 1.353 177.695 176.300 0.070 0.000 0.968 47 D CA 0.924 54.989 54.000 0.110 0.000 0.899 47 D CB -0.053 40.778 40.800 0.051 0.000 0.907 47 D HN 0.583 8.953 8.370 0.000 0.000 0.514 48 D N 0.212 120.646 120.400 0.057 0.000 2.323 48 D HA -0.097 4.549 4.640 0.010 0.000 0.209 48 D C 0.532 176.863 176.300 0.051 0.000 0.973 48 D CA 0.256 54.278 54.000 0.037 0.000 0.874 48 D CB -0.370 40.440 40.800 0.017 0.000 0.930 48 D HN 0.022 8.392 8.370 0.000 0.000 0.521 49 K N 1.149 121.612 120.400 0.104 0.000 2.751 49 K HA 0.117 4.443 4.320 0.010 0.000 0.252 49 K C 1.297 177.948 176.600 0.085 0.000 1.277 49 K CA -0.204 56.160 56.287 0.128 0.000 1.226 49 K CB 0.517 33.146 32.500 0.215 0.000 1.658 49 K HN -0.032 8.218 8.250 0.000 0.000 0.303 50 Q N 0.847 120.658 119.800 0.017 0.000 2.084 50 Q HA -0.237 4.109 4.340 0.010 0.000 0.202 50 Q C 1.753 177.719 176.000 -0.057 0.000 0.978 50 Q CA 1.529 57.307 55.803 -0.043 0.000 0.844 50 Q CB 0.195 28.918 28.738 -0.024 0.000 0.898 50 Q HN 0.614 8.884 8.270 0.000 0.000 0.426 51 E N 0.161 120.353 120.200 -0.012 0.000 2.051 51 E HA -0.192 4.164 4.350 0.010 0.000 0.192 51 E C 2.062 178.669 176.600 0.012 0.000 0.991 51 E CA 0.714 57.114 56.400 -0.001 0.000 0.799 51 E CB -0.032 29.677 29.700 0.015 0.000 0.748 51 E HN 0.149 8.509 8.360 0.000 0.000 0.449 52 L N 1.870 123.126 121.223 0.055 0.000 2.042 52 L HA -0.187 4.158 4.340 0.010 0.000 0.210 52 L C 2.387 179.295 176.870 0.064 0.000 1.076 52 L CA 1.959 56.886 54.840 0.145 0.000 0.749 52 L CB -0.559 41.652 42.059 0.254 0.000 0.893 52 L HN 0.051 8.281 8.230 0.000 0.000 0.432 53 K N -0.397 119.775 120.400 -0.379 0.000 2.032 53 K HA -0.285 4.040 4.320 0.010 0.000 0.209 53 K C 2.334 178.741 176.600 -0.322 0.000 1.048 53 K CA 1.991 57.654 56.287 -1.040 0.000 0.927 53 K CB -0.183 31.615 32.500 -1.170 0.000 0.712 53 K HN 0.296 8.546 8.250 0.000 0.000 0.441 54 K N 0.750 121.049 120.400 -0.169 0.000 2.063 54 K HA -0.159 4.167 4.320 0.010 0.000 0.208 54 K C 1.932 178.533 176.600 0.003 0.000 1.048 54 K CA 1.533 57.780 56.287 -0.066 0.000 0.928 54 K CB 0.099 32.572 32.500 -0.045 0.000 0.713 54 K HN 0.073 8.323 8.250 0.000 0.000 0.442 55 K N -0.248 120.184 120.400 0.054 0.000 2.057 55 K HA -0.150 4.176 4.320 0.010 0.000 0.206 55 K C 2.057 178.772 176.600 0.190 0.000 1.050 55 K CA 1.207 57.566 56.287 0.119 0.000 0.935 55 K CB -0.293 32.297 32.500 0.149 0.000 0.715 55 K HN 0.161 8.411 8.250 0.000 0.000 0.439 56 F N 2.544 122.546 119.950 0.087 0.000 2.171 56 F HA -0.155 4.378 4.527 0.010 0.000 0.300 56 F C 2.518 178.375 175.800 0.095 0.000 1.090 56 F CA 1.288 59.379 58.000 0.151 0.000 1.293 56 F CB -0.226 38.980 39.000 0.344 0.000 1.013 56 F HN -0.101 8.199 8.300 0.000 0.000 0.486 57 R N -0.004 120.486 120.500 -0.016 0.000 2.083 57 R HA -0.242 4.103 4.340 0.010 0.000 0.237 57 R C 2.444 178.670 176.300 -0.123 0.000 1.137 57 R CA 1.792 57.828 56.100 -0.108 0.000 0.951 57 R CB -0.350 29.919 30.300 -0.051 0.000 0.851 57 R HN 0.116 8.386 8.270 0.000 0.000 0.434 58 R N 0.615 121.081 120.500 -0.057 0.000 2.080 58 R HA -0.072 4.274 4.340 0.010 0.000 0.236 58 R C 2.231 178.489 176.300 -0.069 0.000 1.137 58 R CA 2.186 58.260 56.100 -0.044 0.000 0.943 58 R CB -0.576 29.727 30.300 0.004 0.000 0.846 58 R HN 0.301 8.571 8.270 0.000 0.000 0.431 59 M N -0.812 118.755 119.600 -0.056 0.000 2.108 59 M HA -0.305 4.181 4.480 0.010 0.000 0.257 59 M C 2.431 178.608 176.300 -0.206 0.000 1.071 59 M CA 1.991 57.244 55.300 -0.078 0.000 1.093 59 M CB -0.453 32.147 32.600 -0.000 0.000 1.345 59 M HN 0.305 8.595 8.290 0.000 0.000 0.403 60 C N 0.177 119.263 119.300 -0.357 0.000 2.440 60 C HA -0.115 4.350 4.460 0.010 0.000 0.278 60 C C 2.401 177.245 174.990 -0.243 0.000 1.295 60 C CA 0.848 59.646 59.018 -0.367 0.000 1.738 60 C CB -1.057 26.420 27.740 -0.439 0.000 1.987 60 C HN 0.560 8.790 8.230 0.000 0.000 0.492 61 E N 0.778 120.862 120.200 -0.192 0.000 2.077 61 E HA -0.198 4.158 4.350 0.010 0.000 0.193 61 E C 2.152 178.645 176.600 -0.178 0.000 0.989 61 E CA 1.108 57.408 56.400 -0.166 0.000 0.800 61 E CB -0.131 29.496 29.700 -0.123 0.000 0.746 61 E HN 0.615 8.975 8.360 0.000 0.000 0.452 62 K N 0.120 120.435 120.400 -0.141 0.000 2.148 62 K HA -0.081 4.245 4.320 0.010 0.000 0.204 62 K C 2.282 178.793 176.600 -0.148 0.000 1.050 62 K CA 1.122 57.336 56.287 -0.122 0.000 0.942 62 K CB -0.190 32.279 32.500 -0.052 0.000 0.724 62 K HN 0.010 8.260 8.250 0.000 0.000 0.446 63 T N 0.458 114.926 114.554 -0.144 0.000 2.778 63 T HA -0.170 4.186 4.350 0.010 0.000 0.269 63 T C 0.894 175.521 174.700 -0.121 0.000 1.050 63 T CA 1.454 63.495 62.100 -0.099 0.000 1.137 63 T CB -0.055 68.712 68.868 -0.168 0.000 0.860 63 T HN 0.224 8.464 8.240 0.000 0.000 0.468 64 M N -1.234 118.176 119.600 -0.316 0.000 2.931 64 M HA -0.139 4.346 4.480 0.010 0.000 0.190 64 M C 0.012 176.074 176.300 -0.397 0.000 0.626 64 M CA 0.292 55.280 55.300 -0.519 0.000 0.722 64 M CB -2.691 29.211 32.600 -1.165 0.000 2.597 64 M HN 0.055 8.345 8.290 0.000 0.000 0.299 65 V N 1.390 121.072 119.914 -0.387 0.000 2.508 65 V HA 0.063 4.188 4.120 0.010 0.000 0.281 65 V C 1.595 177.482 176.094 -0.345 0.000 1.041 65 V CA 0.332 62.342 62.300 -0.484 0.000 1.016 65 V CB 1.420 32.878 31.823 -0.608 0.000 0.984 65 V HN 0.334 8.524 8.190 0.000 0.000 0.478 66 K N 2.915 123.133 120.400 -0.304 0.000 2.168 66 K HA 0.216 4.542 4.320 0.010 0.000 0.201 66 K C 0.143 176.600 176.600 -0.239 0.000 1.049 66 K CA 0.665 56.811 56.287 -0.235 0.000 0.974 66 K CB 0.311 32.696 32.500 -0.192 0.000 0.792 66 K HN 0.567 8.817 8.250 0.000 0.000 0.463 67 K N 0.191 120.419 120.400 -0.286 0.000 2.512 67 K HA 0.462 4.788 4.320 0.010 0.000 0.263 67 K C -0.998 175.391 176.600 -0.352 0.000 0.966 67 K CA -0.803 55.289 56.287 -0.324 0.000 0.851 67 K CB 2.697 34.975 32.500 -0.370 0.000 1.395 67 K HN -0.143 8.107 8.250 0.000 0.000 0.440 68 R N 0.828 121.097 120.500 -0.385 0.000 2.740 68 R HA 0.400 4.746 4.340 0.010 0.000 0.273 68 R C -1.529 174.561 176.300 -0.351 0.000 0.998 68 R CA -0.925 55.017 56.100 -0.265 0.000 0.900 68 R CB 1.542 31.710 30.300 -0.221 0.000 1.223 68 R HN 0.486 8.756 8.270 0.000 0.000 0.466 69 Y N 1.921 122.267 120.300 0.076 0.000 2.328 69 Y HA 0.481 5.037 4.550 0.010 0.000 0.337 69 Y C -0.268 175.718 175.900 0.142 0.000 0.966 69 Y CA -0.672 57.519 58.100 0.152 0.000 1.136 69 Y CB 1.278 39.833 38.460 0.159 0.000 1.170 69 Y HN 0.148 8.428 8.280 0.000 0.000 0.470 70 L N 2.841 124.241 121.223 0.294 0.000 2.365 70 L HA 0.359 4.704 4.340 0.010 0.000 0.273 70 L C 0.949 177.962 176.870 0.237 0.000 1.000 70 L CA -0.984 53.957 54.840 0.168 0.000 0.819 70 L CB 1.877 43.843 42.059 -0.156 0.000 1.284 70 L HN 0.730 8.960 8.230 0.000 0.000 0.418 71 H N 2.937 122.085 119.070 0.128 0.000 2.387 71 H HA 0.064 4.626 4.556 0.010 0.000 0.299 71 H C 0.484 175.872 175.328 0.100 0.000 1.090 71 H CA 1.084 57.201 56.048 0.116 0.000 1.332 71 H CB 0.222 30.038 29.762 0.090 0.000 1.386 71 H HN 0.389 8.669 8.280 0.000 0.000 0.516 72 L N 2.098 123.326 121.223 0.009 0.000 2.490 72 L HA 0.115 4.461 4.340 0.010 0.000 0.274 72 L C 0.505 177.392 176.870 0.028 0.000 1.201 72 L CA 0.445 55.242 54.840 -0.071 0.000 0.869 72 L CB 0.719 42.682 42.059 -0.160 0.000 1.123 72 L HN 0.467 8.697 8.230 0.000 0.000 0.484 73 T N -2.088 112.487 114.554 0.034 0.000 2.907 73 T HA 0.209 4.565 4.350 0.010 0.000 0.290 73 T C 0.620 175.457 174.700 0.228 0.000 1.066 73 T CA -0.849 61.349 62.100 0.163 0.000 1.012 73 T CB 1.860 70.758 68.868 0.051 0.000 1.184 73 T HN 0.651 8.891 8.240 0.000 0.000 0.522 74 E N 0.176 120.590 120.200 0.355 0.000 2.118 74 E HA -0.234 4.122 4.350 0.010 0.000 0.195 74 E C 1.786 178.450 176.600 0.108 0.000 0.992 74 E CA 1.508 58.066 56.400 0.263 0.000 0.804 74 E CB -0.021 29.859 29.700 0.299 0.000 0.741 74 E HN 0.805 9.165 8.360 0.000 0.000 0.458 75 E N 0.406 120.657 120.200 0.085 0.000 2.038 75 E HA -0.232 4.123 4.350 0.010 0.000 0.195 75 E C 2.172 178.791 176.600 0.031 0.000 1.000 75 E CA 1.663 58.090 56.400 0.045 0.000 0.803 75 E CB -0.191 29.528 29.700 0.032 0.000 0.750 75 E HN 0.368 8.728 8.360 0.000 0.000 0.448 76 I N 0.936 121.519 120.570 0.022 0.000 2.208 76 I HA -0.318 3.858 4.170 0.010 0.000 0.245 76 I C 2.455 178.583 176.117 0.018 0.000 1.097 76 I CA 0.998 62.307 61.300 0.015 0.000 1.363 76 I CB -0.220 37.774 38.000 -0.010 0.000 1.051 76 I HN 0.201 8.411 8.210 0.000 0.000 0.413 77 L N 0.157 121.388 121.223 0.014 0.000 2.141 77 L HA -0.172 4.174 4.340 0.010 0.000 0.209 77 L C 2.460 179.338 176.870 0.013 0.000 1.094 77 L CA 1.251 56.096 54.840 0.007 0.000 0.763 77 L CB -0.508 41.542 42.059 -0.016 0.000 0.908 77 L HN 0.160 8.390 8.230 0.000 0.000 0.437 78 K N 0.169 120.577 120.400 0.013 0.000 2.097 78 K HA -0.163 4.163 4.320 0.010 0.000 0.205 78 K C 1.960 178.568 176.600 0.015 0.000 1.050 78 K CA 1.247 57.540 56.287 0.010 0.000 0.938 78 K CB -0.027 32.479 32.500 0.011 0.000 0.718 78 K HN 0.317 8.567 8.250 0.000 0.000 0.442 79 E N 0.301 120.513 120.200 0.019 0.000 2.204 79 E HA -0.092 4.263 4.350 0.010 0.000 0.194 79 E C 0.138 176.752 176.600 0.024 0.000 0.989 79 E CA 0.761 57.174 56.400 0.021 0.000 0.824 79 E CB 0.243 29.958 29.700 0.025 0.000 0.756 79 E HN 0.117 8.477 8.360 0.000 0.000 0.477 80 R N 0.420 120.937 120.500 0.028 0.000 2.629 80 R HA 0.137 4.483 4.340 0.010 0.000 0.277 80 R C -2.165 174.160 176.300 0.042 0.000 1.637 80 R CA -1.082 55.039 56.100 0.035 0.000 1.663 80 R CB 0.985 31.310 30.300 0.042 0.000 1.228 80 R HN 0.013 8.283 8.270 0.000 0.000 0.632 81 P HA -0.178 4.242 4.420 0.000 0.000 0.221 81 P C 0.519 177.846 177.300 0.045 0.000 1.145 81 P CA 1.064 64.182 63.100 0.031 0.000 0.795 81 P CB 0.387 32.096 31.700 0.015 0.000 0.775 82 K N -0.174 120.257 120.400 0.051 0.000 2.209 82 K HA -0.054 4.272 4.320 0.010 0.000 0.204 82 K C 2.047 178.704 176.600 0.095 0.000 1.048 82 K CA 0.861 57.185 56.287 0.062 0.000 0.940 82 K CB -0.549 31.985 32.500 0.058 0.000 0.729 82 K HN 0.203 8.453 8.250 0.000 0.000 0.451 83 L N -0.099 121.199 121.223 0.124 0.000 2.362 83 L HA -0.189 4.156 4.340 0.010 0.000 0.219 83 L C 1.924 178.960 176.870 0.277 0.000 1.134 83 L CA 0.469 55.436 54.840 0.211 0.000 0.807 83 L CB -0.324 41.866 42.059 0.218 0.000 0.927 83 L HN 0.277 8.507 8.230 0.000 0.000 0.447 84 C N -0.920 118.483 119.300 0.173 0.000 2.673 84 C HA 0.074 4.540 4.460 0.010 0.000 0.264 84 C C 1.887 176.878 174.990 0.003 0.000 1.304 84 C CA -0.243 58.848 59.018 0.121 0.000 1.727 84 C CB -0.658 27.112 27.740 0.051 0.000 1.932 84 C HN 0.564 8.794 8.230 0.000 0.000 0.563 85 S N -0.410 115.305 115.700 0.024 0.000 2.632 85 S HA 0.220 4.696 4.470 0.010 0.000 0.267 85 S C 0.561 175.175 174.600 0.022 0.000 1.276 85 S CA -0.188 58.016 58.200 0.008 0.000 0.998 85 S CB 0.494 63.705 63.200 0.019 0.000 0.953 85 S HN 0.439 8.749 8.310 0.000 0.000 0.547 86 Y N 1.880 122.114 120.300 -0.110 0.000 2.084 86 Y HA 0.171 4.727 4.550 0.010 0.000 0.279 86 Y C 1.521 177.321 175.900 -0.166 0.000 1.119 86 Y CA 1.545 59.559 58.100 -0.144 0.000 1.101 86 Y CB -0.141 38.233 38.460 -0.144 0.000 0.989 86 Y HN 0.729 9.009 8.280 0.000 0.000 0.484 87 K N 0.798 120.931 120.400 -0.445 0.000 2.860 87 K HA 0.113 4.439 4.320 0.010 0.000 0.204 87 K C -0.595 175.950 176.600 -0.091 0.000 1.127 87 K CA -0.102 55.863 56.287 -0.537 0.000 1.050 87 K CB 0.652 32.537 32.500 -1.024 0.000 0.745 87 K HN 0.458 8.708 8.250 0.000 0.000 0.459 88 E N 0.561 120.752 120.200 -0.015 0.000 2.374 88 E HA 0.372 4.728 4.350 0.010 0.000 0.260 88 E C -0.290 176.361 176.600 0.085 0.000 1.101 88 E CA -0.635 55.790 56.400 0.041 0.000 0.907 88 E CB 0.938 30.656 29.700 0.031 0.000 1.014 88 E HN 0.101 8.461 8.360 0.000 0.000 0.427 89 A N 1.998 124.860 122.820 0.070 0.000 2.566 89 A HA 0.157 4.483 4.320 0.010 0.000 0.245 89 A C 0.548 178.184 177.584 0.087 0.000 1.056 89 A CA 0.577 52.655 52.037 0.069 0.000 0.757 89 A CB -0.338 18.684 19.000 0.036 0.000 0.979 89 A HN 0.797 8.947 8.150 0.000 0.000 0.508 90 S N 1.156 116.930 115.700 0.123 0.000 2.822 90 S HA 0.047 4.522 4.470 0.010 0.000 0.251 90 S C 0.766 175.455 174.600 0.149 0.000 0.946 90 S CA 0.289 58.563 58.200 0.124 0.000 1.377 90 S CB -0.764 62.513 63.200 0.128 0.000 1.230 90 S HN 0.702 9.012 8.310 0.000 0.000 0.671 91 F N 3.820 123.761 119.950 -0.014 0.000 2.126 91 F HA -0.048 4.485 4.527 0.009 0.000 0.299 91 F C 1.646 177.434 175.800 -0.020 0.000 1.096 91 F CA 1.963 59.938 58.000 -0.040 0.000 1.255 91 F CB -0.343 38.596 39.000 -0.101 0.000 0.997 91 F HN 0.143 8.443 8.300 0.000 0.000 0.479 92 D N 0.266 120.647 120.400 -0.033 0.000 2.104 92 D HA -0.196 4.450 4.640 0.010 0.000 0.194 92 D C 2.020 178.243 176.300 -0.128 0.000 0.994 92 D CA 1.655 55.581 54.000 -0.124 0.000 0.830 92 D CB -0.639 40.148 40.800 -0.021 0.000 0.959 92 D HN 0.336 8.706 8.370 0.000 0.000 0.452 93 D N 0.421 120.792 120.400 -0.049 0.000 2.123 93 D HA -0.132 4.514 4.640 0.010 0.000 0.196 93 D C 2.203 178.480 176.300 -0.039 0.000 0.992 93 D CA 0.829 54.816 54.000 -0.022 0.000 0.833 93 D CB -0.019 40.794 40.800 0.023 0.000 0.954 93 D HN 0.229 8.599 8.370 0.000 0.000 0.455 94 R N 0.360 120.825 120.500 -0.058 0.000 2.075 94 R HA -0.070 4.276 4.340 0.010 0.000 0.232 94 R C 2.440 178.653 176.300 -0.145 0.000 1.126 94 R CA 0.761 56.832 56.100 -0.048 0.000 0.963 94 R CB -0.119 30.186 30.300 0.009 0.000 0.858 94 R HN 0.162 8.432 8.270 0.000 0.000 0.435 95 Q N 0.917 120.516 119.800 -0.336 0.000 2.061 95 Q HA -0.198 4.148 4.340 0.010 0.000 0.204 95 Q C 1.637 177.530 176.000 -0.178 0.000 0.984 95 Q CA 1.539 57.127 55.803 -0.359 0.000 0.846 95 Q CB -0.365 28.026 28.738 -0.578 0.000 0.902 95 Q HN 0.336 8.606 8.270 0.000 0.000 0.421 96 D N 0.242 120.564 120.400 -0.130 0.000 2.133 96 D HA -0.160 4.486 4.640 0.010 0.000 0.192 96 D C 2.022 178.301 176.300 -0.034 0.000 1.001 96 D CA 1.089 55.052 54.000 -0.062 0.000 0.844 96 D CB -0.221 40.559 40.800 -0.034 0.000 0.944 96 D HN 0.290 8.660 8.370 0.000 0.000 0.447 97 I N 0.382 120.936 120.570 -0.026 0.000 2.235 97 I HA -0.170 4.006 4.170 0.010 0.000 0.241 97 I C 2.560 178.644 176.117 -0.055 0.000 1.085 97 I CA 0.554 61.847 61.300 -0.011 0.000 1.378 97 I CB -0.259 37.765 38.000 0.040 0.000 1.076 97 I HN -0.065 8.145 8.210 0.000 0.000 0.415 98 V N -1.489 118.395 119.914 -0.051 0.000 2.427 98 V HA -0.150 3.976 4.120 0.010 0.000 0.248 98 V C 2.308 178.390 176.094 -0.020 0.000 1.051 98 V CA 1.335 63.611 62.300 -0.040 0.000 1.048 98 V CB -1.074 30.742 31.823 -0.012 0.000 0.666 98 V HN 0.224 8.414 8.190 0.000 0.000 0.456 99 V N 0.677 120.572 119.914 -0.031 0.000 2.407 99 V HA -0.232 3.894 4.120 0.010 0.000 0.248 99 V C 2.766 178.878 176.094 0.030 0.000 1.055 99 V CA 2.534 64.835 62.300 0.001 0.000 1.049 99 V CB -0.694 31.117 31.823 -0.021 0.000 0.662 99 V HN 0.666 8.856 8.190 0.000 0.000 0.455 100 E N -0.006 120.199 120.200 0.008 0.000 2.051 100 E HA -0.129 4.226 4.350 0.010 0.000 0.189 100 E C 2.229 178.833 176.600 0.008 0.000 0.979 100 E CA 1.085 57.495 56.400 0.017 0.000 0.803 100 E CB -0.070 29.637 29.700 0.011 0.000 0.761 100 E HN 0.521 8.881 8.360 0.000 0.000 0.451 101 E N 0.062 120.235 120.200 -0.045 0.000 2.190 101 E HA -0.026 4.330 4.350 0.010 0.000 0.191 101 E C 2.092 178.679 176.600 -0.021 0.000 0.978 101 E CA 0.109 56.453 56.400 -0.094 0.000 0.839 101 E CB -0.018 29.472 29.700 -0.350 0.000 0.787 101 E HN 0.287 8.647 8.360 0.000 0.000 0.473 102 I N 1.848 122.433 120.570 0.026 0.000 2.118 102 I HA -0.221 3.955 4.170 0.010 0.000 0.241 102 I C -0.616 175.628 176.117 0.212 0.000 1.070 102 I CA 1.538 62.908 61.300 0.116 0.000 1.327 102 I CB -2.310 35.764 38.000 0.123 0.000 1.034 102 I HN 0.032 8.242 8.210 0.000 0.000 0.405 103 P HA -0.077 4.343 4.420 0.000 0.000 0.219 103 P C 1.758 179.082 177.300 0.039 0.000 1.150 103 P CA 1.300 64.499 63.100 0.165 0.000 0.814 103 P CB -0.124 31.665 31.700 0.149 0.000 0.787 104 R N -0.734 119.790 120.500 0.039 0.000 2.070 104 R HA -0.091 4.255 4.340 0.010 0.000 0.233 104 R C 2.203 178.513 176.300 0.016 0.000 1.137 104 R CA 1.111 57.222 56.100 0.018 0.000 0.945 104 R CB -1.440 28.875 30.300 0.026 0.000 0.845 104 R HN 0.149 8.419 8.270 0.000 0.000 0.430 105 L N 1.040 122.284 121.223 0.036 0.000 2.042 105 L HA -0.119 4.227 4.340 0.010 0.000 0.210 105 L C 2.288 179.168 176.870 0.017 0.000 1.076 105 L CA 1.953 56.821 54.840 0.046 0.000 0.749 105 L CB -0.727 41.377 42.059 0.075 0.000 0.893 105 L HN 0.167 8.397 8.230 0.000 0.000 0.432 106 A N -0.469 122.356 122.820 0.008 0.000 1.908 106 A HA -0.303 4.023 4.320 0.010 0.000 0.218 106 A C 2.464 179.942 177.584 -0.177 0.000 1.181 106 A CA 2.141 54.114 52.037 -0.107 0.000 0.627 106 A CB -0.733 18.112 19.000 -0.259 0.000 0.818 106 A HN 0.538 8.688 8.150 0.000 0.000 0.445 107 K N -0.031 120.284 120.400 -0.142 0.000 2.032 107 K HA -0.231 4.095 4.320 0.010 0.000 0.209 107 K C 1.852 178.398 176.600 -0.091 0.000 1.048 107 K CA 1.863 58.074 56.287 -0.127 0.000 0.927 107 K CB -0.272 32.175 32.500 -0.088 0.000 0.712 107 K HN 0.667 8.917 8.250 0.000 0.000 0.441 108 E N -0.007 120.159 120.200 -0.057 0.000 2.085 108 E HA -0.200 4.155 4.350 0.010 0.000 0.194 108 E C 2.014 178.578 176.600 -0.060 0.000 0.994 108 E CA 1.239 57.615 56.400 -0.041 0.000 0.801 108 E CB -0.152 29.542 29.700 -0.011 0.000 0.743 108 E HN 0.466 8.826 8.360 0.000 0.000 0.453 109 A N 1.419 124.193 122.820 -0.077 0.000 1.929 109 A HA 0.000 4.326 4.320 0.010 0.000 0.216 109 A C 2.381 179.888 177.584 -0.129 0.000 1.176 109 A CA 1.423 53.395 52.037 -0.108 0.000 0.628 109 A CB -0.473 18.460 19.000 -0.112 0.000 0.816 109 A HN 0.277 8.427 8.150 0.000 0.000 0.444 110 A N -0.144 122.589 122.820 -0.146 0.000 1.898 110 A HA -0.135 4.191 4.320 0.010 0.000 0.216 110 A C 1.916 179.443 177.584 -0.095 0.000 1.181 110 A CA 1.553 53.499 52.037 -0.153 0.000 0.620 110 A CB -0.424 18.456 19.000 -0.201 0.000 0.819 110 A HN 0.484 8.634 8.150 0.000 0.000 0.442 111 E N 0.404 120.559 120.200 -0.075 0.000 2.085 111 E HA -0.201 4.154 4.350 0.010 0.000 0.194 111 E C 1.947 178.532 176.600 -0.025 0.000 0.994 111 E CA 1.397 57.773 56.400 -0.040 0.000 0.801 111 E CB -0.299 29.380 29.700 -0.036 0.000 0.743 111 E HN 0.664 9.024 8.360 0.000 0.000 0.453 112 K N 0.687 121.061 120.400 -0.043 0.000 2.026 112 K HA -0.072 4.254 4.320 0.010 0.000 0.208 112 K C 2.277 178.864 176.600 -0.022 0.000 1.048 112 K CA 1.132 57.397 56.287 -0.037 0.000 0.929 112 K CB -0.199 32.266 32.500 -0.059 0.000 0.713 112 K HN 0.038 8.288 8.250 0.000 0.000 0.439 113 A N 1.700 124.495 122.820 -0.042 0.000 1.883 113 A HA -0.196 4.130 4.320 0.010 0.000 0.217 113 A C 2.176 179.798 177.584 0.063 0.000 1.186 113 A CA 1.559 53.582 52.037 -0.024 0.000 0.624 113 A CB -0.756 18.189 19.000 -0.091 0.000 0.822 113 A HN 0.200 8.350 8.150 0.000 0.000 0.444 114 I N -0.485 120.128 120.570 0.073 0.000 2.208 114 I HA -0.288 3.888 4.170 0.010 0.000 0.245 114 I C 2.586 178.823 176.117 0.199 0.000 1.097 114 I CA 1.879 63.308 61.300 0.216 0.000 1.363 114 I CB -0.280 37.813 38.000 0.156 0.000 1.051 114 I HN 0.351 8.561 8.210 0.000 0.000 0.413 115 K N 1.128 121.580 120.400 0.086 0.000 2.026 115 K HA -0.270 4.056 4.320 0.010 0.000 0.208 115 K C 2.105 178.733 176.600 0.048 0.000 1.048 115 K CA 1.966 58.278 56.287 0.042 0.000 0.929 115 K CB -0.152 32.355 32.500 0.011 0.000 0.713 115 K HN 0.363 8.613 8.250 0.000 0.000 0.439 116 E N -0.436 119.802 120.200 0.064 0.000 2.051 116 E HA -0.226 4.130 4.350 0.010 0.000 0.192 116 E C 1.849 178.523 176.600 0.122 0.000 0.991 116 E CA 1.333 57.770 56.400 0.062 0.000 0.799 116 E CB -0.348 29.379 29.700 0.045 0.000 0.748 116 E HN 0.433 8.793 8.360 0.000 0.000 0.449 117 W N 0.802 122.078 121.300 -0.039 0.000 2.318 117 W HA -0.168 4.498 4.660 0.010 0.000 0.313 117 W C 1.569 178.069 176.519 -0.031 0.000 1.221 117 W CA 2.958 60.283 57.345 -0.034 0.000 1.266 117 W CB -0.643 28.797 29.460 -0.033 0.000 1.150 117 W HN 0.354 8.534 8.180 0.000 0.000 0.496 118 G N 0.053 108.792 108.800 -0.101 0.000 2.176 118 G HA2 -0.276 3.689 3.960 0.010 0.000 0.253 118 G HA3 -0.276 3.689 3.960 0.010 0.000 0.253 118 G C 0.607 175.241 174.900 -0.443 0.000 0.979 118 G CA 0.179 45.138 45.100 -0.236 0.000 0.641 118 G HN 0.393 8.683 8.290 0.000 0.000 0.530 119 R N 0.302 120.279 120.500 -0.872 0.000 2.674 119 R HA 0.514 4.860 4.340 0.010 0.000 0.266 119 R C -2.440 173.547 176.300 -0.520 0.000 1.016 119 R CA -1.748 53.793 56.100 -0.933 0.000 1.062 119 R CB 0.544 29.845 30.300 -1.664 0.000 1.142 119 R HN 0.056 8.326 8.270 0.000 0.000 0.517 120 P HA 0.076 4.496 4.420 0.000 0.000 0.269 120 P C -0.073 177.238 177.300 0.020 0.000 1.209 120 P CA -0.066 62.968 63.100 -0.111 0.000 0.776 120 P CB 0.591 32.242 31.700 -0.083 0.000 0.876 121 K N 0.701 121.140 120.400 0.065 0.000 2.209 121 K HA -0.109 4.217 4.320 0.010 0.000 0.204 121 K C 1.765 178.424 176.600 0.098 0.000 1.048 121 K CA 1.655 58.012 56.287 0.117 0.000 0.940 121 K CB -0.339 32.193 32.500 0.054 0.000 0.729 121 K HN 0.535 8.785 8.250 0.000 0.000 0.451 122 S N 0.539 116.272 115.700 0.056 0.000 2.595 122 S HA -0.106 4.370 4.470 0.010 0.000 0.235 122 S C 1.642 176.284 174.600 0.070 0.000 0.974 122 S CA 1.020 59.245 58.200 0.041 0.000 0.942 122 S CB 0.054 63.263 63.200 0.015 0.000 0.766 122 S HN 0.217 8.527 8.310 0.000 0.000 0.536 123 E N 0.500 120.781 120.200 0.136 0.000 2.364 123 E HA 0.356 4.711 4.350 0.010 0.000 0.196 123 E C 0.016 176.778 176.600 0.269 0.000 0.990 123 E CA -0.133 56.394 56.400 0.211 0.000 0.886 123 E CB 0.053 29.908 29.700 0.258 0.000 0.866 123 E HN 0.646 9.006 8.360 0.000 0.000 0.493 124 I N 1.501 122.208 120.570 0.227 0.000 2.598 124 I HA -0.046 4.130 4.170 0.010 0.000 0.284 124 I C 1.337 177.474 176.117 0.034 0.000 1.140 124 I CA 0.420 61.767 61.300 0.079 0.000 1.420 124 I CB 1.294 39.304 38.000 0.016 0.000 1.387 124 I HN 0.122 8.332 8.210 0.000 0.000 0.553 125 T N 1.050 115.624 114.554 0.033 0.000 3.023 125 T HA 0.162 4.518 4.350 0.010 0.000 0.249 125 T C 0.416 174.978 174.700 -0.230 0.000 1.050 125 T CA 0.236 62.306 62.100 -0.049 0.000 1.088 125 T CB -0.008 68.881 68.868 0.036 0.000 0.946 125 T HN 0.543 8.783 8.240 0.000 0.000 0.480 126 H N -0.111 118.932 119.070 -0.044 0.000 2.768 126 H HA 0.728 5.287 4.556 0.005 0.000 0.371 126 H C -1.604 173.685 175.328 -0.065 0.000 1.151 126 H CA -0.983 55.038 56.048 -0.045 0.000 1.165 126 H CB 2.080 31.816 29.762 -0.044 0.000 1.722 126 H HN 0.155 8.435 8.280 0.000 0.000 0.543 127 L N 2.833 124.096 121.223 0.067 0.000 2.372 127 L HA 0.569 4.915 4.340 0.010 0.000 0.274 127 L C -1.583 175.312 176.870 0.042 0.000 0.988 127 L CA -0.612 54.234 54.840 0.011 0.000 0.833 127 L CB 1.240 43.283 42.059 -0.027 0.000 1.236 127 L HN 0.467 8.697 8.230 0.000 0.000 0.410 128 V N 5.549 125.478 119.914 0.025 0.000 2.398 128 V HA 0.520 4.646 4.120 0.010 0.000 0.286 128 V C -0.763 175.390 176.094 0.100 0.000 1.026 128 V CA -0.445 61.881 62.300 0.042 0.000 0.868 128 V CB 1.226 33.055 31.823 0.010 0.000 0.982 128 V HN 0.628 8.818 8.190 0.000 0.000 0.443 129 F N 6.378 126.267 119.950 -0.102 0.000 2.539 129 F HA 0.739 5.271 4.527 0.008 0.000 0.318 129 F C -0.188 175.529 175.800 -0.139 0.000 1.135 129 F CA -1.656 56.272 58.000 -0.119 0.000 0.915 129 F CB 1.361 40.293 39.000 -0.113 0.000 1.176 129 F HN 0.710 9.010 8.300 0.000 0.000 0.440 130 C N 3.574 122.840 119.300 -0.057 0.000 2.561 130 C HA 0.965 5.431 4.460 0.010 0.000 0.319 130 C C -0.586 174.206 174.990 -0.330 0.000 1.198 130 C CA -0.544 58.322 59.018 -0.253 0.000 1.665 130 C CB 0.937 28.604 27.740 -0.121 0.000 2.258 130 C HN 1.035 9.265 8.230 0.000 0.000 0.493 131 S N 1.508 117.025 115.700 -0.305 0.000 2.558 131 S HA 0.458 4.933 4.470 0.010 0.000 0.277 131 S C 0.207 174.766 174.600 -0.069 0.000 1.143 131 S CA -0.660 57.430 58.200 -0.182 0.000 0.865 131 S CB 0.929 63.996 63.200 -0.222 0.000 1.102 131 S HN 0.815 9.125 8.310 0.000 0.000 0.454 132 I N 1.931 122.444 120.570 -0.095 0.000 2.394 132 I HA -0.015 4.161 4.170 0.010 0.000 0.251 132 I C 0.888 177.034 176.117 0.049 0.000 1.136 132 I CA 0.855 62.083 61.300 -0.120 0.000 1.425 132 I CB -0.061 37.740 38.000 -0.331 0.000 1.079 132 I HN 0.391 8.601 8.210 0.000 0.000 0.425 133 S N -0.760 114.979 115.700 0.065 0.000 2.726 133 S HA 0.670 5.146 4.470 0.010 0.000 0.308 133 S C 0.588 175.233 174.600 0.076 0.000 1.115 133 S CA -0.050 58.207 58.200 0.095 0.000 0.965 133 S CB 1.825 65.072 63.200 0.078 0.000 1.145 133 S HN 0.433 8.743 8.310 0.000 0.000 0.532 134 G N 0.590 109.388 108.800 -0.004 0.000 2.130 134 G HA2 -0.182 3.783 3.960 0.010 0.000 0.216 134 G HA3 -0.182 3.783 3.960 0.010 0.000 0.216 134 G C -0.140 174.678 174.900 -0.137 0.000 0.999 134 G CA -0.560 44.541 45.100 0.002 0.000 0.686 134 G HN 0.595 8.885 8.290 0.000 0.000 0.515 135 I N 0.946 121.235 120.570 -0.468 0.000 2.587 135 I HA 0.399 4.574 4.170 0.010 0.000 0.284 135 I C 0.451 176.422 176.117 -0.243 0.000 1.134 135 I CA 0.517 61.373 61.300 -0.740 0.000 1.410 135 I CB 0.812 38.400 38.000 -0.686 0.000 1.392 135 I HN 0.259 8.469 8.210 0.000 0.000 0.545 136 D N 6.210 126.554 120.400 -0.093 0.000 2.671 136 D HA 0.515 5.161 4.640 0.010 0.000 0.273 136 D C -1.292 175.044 176.300 0.059 0.000 1.264 136 D CA -0.591 53.406 54.000 -0.004 0.000 0.788 136 D CB 1.556 42.367 40.800 0.018 0.000 1.324 136 D HN 0.278 8.648 8.370 0.000 0.000 0.424 137 M N 2.068 121.686 119.600 0.031 0.000 2.197 137 M HA 0.462 4.948 4.480 0.010 0.000 0.301 137 M C -2.263 174.020 176.300 -0.029 0.000 0.987 137 M CA -1.534 53.779 55.300 0.021 0.000 0.921 137 M CB 1.768 34.376 32.600 0.013 0.000 1.569 137 M HN 0.236 8.526 8.290 0.000 0.000 0.431 138 P HA 0.332 4.752 4.420 0.000 0.000 0.271 138 P C 0.117 177.462 177.300 0.074 0.000 1.233 138 P CA -0.335 62.717 63.100 -0.080 0.000 0.789 138 P CB 0.466 31.930 31.700 -0.394 0.000 0.951 139 G N -0.576 108.321 108.800 0.161 0.000 2.532 139 G HA2 0.415 4.381 3.960 0.010 0.000 0.291 139 G HA3 0.415 4.381 3.960 0.010 0.000 0.291 139 G C 0.890 175.962 174.900 0.286 0.000 1.349 139 G CA -0.149 45.111 45.100 0.267 0.000 1.038 139 G HN 0.497 8.787 8.290 0.000 0.000 0.518 140 A N -0.320 122.678 122.820 0.296 0.000 1.972 140 A HA -0.058 4.268 4.320 0.010 0.000 0.219 140 A C 1.999 179.836 177.584 0.422 0.000 1.169 140 A CA 2.232 54.456 52.037 0.312 0.000 0.635 140 A CB -0.533 18.589 19.000 0.204 0.000 0.810 140 A HN 0.693 8.843 8.150 0.000 0.000 0.446 141 D N -1.278 119.320 120.400 0.331 0.000 2.117 141 D HA -0.249 4.397 4.640 0.010 0.000 0.197 141 D C 1.821 178.239 176.300 0.197 0.000 0.987 141 D CA 1.609 55.815 54.000 0.343 0.000 0.829 141 D CB -0.850 40.069 40.800 0.199 0.000 0.961 141 D HN 0.569 8.939 8.370 0.000 0.000 0.460 142 Y N 1.900 122.258 120.300 0.097 0.000 2.114 142 Y HA -0.140 4.415 4.550 0.008 0.000 0.284 142 Y C 2.657 178.591 175.900 0.056 0.000 1.143 142 Y CA 1.941 60.077 58.100 0.061 0.000 1.135 142 Y CB -0.189 38.305 38.460 0.056 0.000 0.980 142 Y HN -0.214 8.066 8.280 0.000 0.000 0.499 143 R N -0.341 120.241 120.500 0.136 0.000 2.083 143 R HA -0.203 4.143 4.340 0.010 0.000 0.237 143 R C 2.180 178.439 176.300 -0.069 0.000 1.137 143 R CA 1.752 57.868 56.100 0.025 0.000 0.951 143 R CB -0.823 29.569 30.300 0.154 0.000 0.851 143 R HN 0.409 8.679 8.270 0.000 0.000 0.434 144 L N 0.792 122.003 121.223 -0.021 0.000 1.994 144 L HA -0.109 4.237 4.340 0.010 0.000 0.208 144 L C 2.277 179.044 176.870 -0.171 0.000 1.071 144 L CA 2.114 56.873 54.840 -0.137 0.000 0.745 144 L CB -0.853 41.012 42.059 -0.323 0.000 0.892 144 L HN 0.154 8.384 8.230 0.000 0.000 0.431 145 A N -1.347 121.375 122.820 -0.162 0.000 1.917 145 A HA -0.261 4.065 4.320 0.010 0.000 0.219 145 A C 2.255 179.720 177.584 -0.197 0.000 1.182 145 A CA 2.643 54.580 52.037 -0.167 0.000 0.633 145 A CB -1.366 17.549 19.000 -0.141 0.000 0.819 145 A HN 0.577 8.727 8.150 0.000 0.000 0.448 146 T N 0.339 114.718 114.554 -0.293 0.000 2.701 146 T HA -0.069 4.286 4.350 0.010 0.000 0.263 146 T C 1.844 176.450 174.700 -0.157 0.000 1.040 146 T CA 1.408 63.344 62.100 -0.274 0.000 1.147 146 T CB -0.417 68.207 68.868 -0.407 0.000 0.865 146 T HN 0.352 8.592 8.240 0.000 0.000 0.426 147 L N 0.419 121.561 121.223 -0.135 0.000 2.079 147 L HA -0.057 4.288 4.340 0.010 0.000 0.210 147 L C 2.461 179.281 176.870 -0.084 0.000 1.081 147 L CA 1.118 55.905 54.840 -0.088 0.000 0.752 147 L CB -0.531 41.484 42.059 -0.073 0.000 0.896 147 L HN 0.259 8.489 8.230 0.000 0.000 0.433 148 L N -0.570 120.592 121.223 -0.102 0.000 2.217 148 L HA -0.031 4.315 4.340 0.010 0.000 0.211 148 L C 1.435 178.265 176.870 -0.066 0.000 1.107 148 L CA 0.787 55.575 54.840 -0.086 0.000 0.783 148 L CB -0.606 41.390 42.059 -0.104 0.000 0.919 148 L HN 0.531 8.761 8.230 0.000 0.000 0.442 149 G N 0.640 109.395 108.800 -0.075 0.000 2.182 149 G HA2 -0.261 3.705 3.960 0.010 0.000 0.248 149 G HA3 -0.261 3.705 3.960 0.010 0.000 0.248 149 G C 0.113 174.983 174.900 -0.050 0.000 1.042 149 G CA -0.277 44.788 45.100 -0.058 0.000 0.775 149 G HN 0.194 8.484 8.290 0.000 0.000 0.501 150 L N 1.179 122.364 121.223 -0.064 0.000 2.461 150 L HA 0.305 4.650 4.340 0.010 0.000 0.272 150 L C -0.819 176.026 176.870 -0.042 0.000 1.197 150 L CA -1.636 53.175 54.840 -0.049 0.000 0.836 150 L CB 0.215 42.236 42.059 -0.064 0.000 1.105 150 L HN 0.075 8.305 8.230 0.000 0.000 0.477 151 P HA 0.026 4.446 4.420 0.000 0.000 0.269 151 P C 0.692 177.977 177.300 -0.024 0.000 1.215 151 P CA -0.237 62.851 63.100 -0.021 0.000 0.780 151 P CB 0.757 32.449 31.700 -0.012 0.000 0.898 152 L N 1.258 122.472 121.223 -0.015 0.000 2.353 152 L HA -0.122 4.224 4.340 0.010 0.000 0.220 152 L C 2.023 178.889 176.870 -0.007 0.000 1.133 152 L CA 1.776 56.614 54.840 -0.003 0.000 0.798 152 L CB -1.165 40.901 42.059 0.011 0.000 0.922 152 L HN 0.512 8.742 8.230 0.000 0.000 0.445 153 T N -4.229 110.314 114.554 -0.019 0.000 3.081 153 T HA 0.141 4.496 4.350 0.010 0.000 0.250 153 T C 0.747 175.409 174.700 -0.064 0.000 1.100 153 T CA -0.309 61.772 62.100 -0.032 0.000 1.038 153 T CB -0.356 68.495 68.868 -0.029 0.000 0.962 153 T HN -0.049 8.191 8.240 0.000 0.000 0.516 154 V N 3.827 123.703 119.914 -0.064 0.000 2.617 154 V HA 0.035 4.161 4.120 0.010 0.000 0.304 154 V C 0.279 176.310 176.094 -0.105 0.000 1.040 154 V CA -0.412 61.829 62.300 -0.098 0.000 1.149 154 V CB -0.214 31.570 31.823 -0.065 0.000 0.914 154 V HN 0.536 8.726 8.190 0.000 0.000 0.487 155 N N 6.308 124.890 118.700 -0.196 0.000 2.402 155 N HA 0.209 4.955 4.740 0.010 0.000 0.252 155 N C -0.040 175.452 175.510 -0.030 0.000 1.118 155 N CA -0.036 52.935 53.050 -0.133 0.000 0.945 155 N CB 0.587 38.932 38.487 -0.238 0.000 1.147 155 N HN 0.572 8.952 8.380 0.000 0.000 0.495 156 R N 1.346 121.851 120.500 0.007 0.000 2.349 156 R HA 0.452 4.798 4.340 0.010 0.000 0.299 156 R C -0.442 175.884 176.300 0.043 0.000 1.027 156 R CA -0.783 55.339 56.100 0.036 0.000 0.958 156 R CB 1.206 31.536 30.300 0.049 0.000 1.047 156 R HN 0.313 8.583 8.270 0.000 0.000 0.468 157 L N 3.255 124.505 121.223 0.045 0.000 2.381 157 L HA 0.469 4.814 4.340 0.010 0.000 0.274 157 L C -1.177 175.683 176.870 -0.016 0.000 0.988 157 L CA -0.721 54.129 54.840 0.017 0.000 0.824 157 L CB 1.860 43.931 42.059 0.020 0.000 1.263 157 L HN 0.593 8.823 8.230 0.000 0.000 0.410 158 M N 6.012 125.559 119.600 -0.088 0.000 2.336 158 M HA 0.604 5.090 4.480 0.010 0.000 0.342 158 M C -1.391 174.722 176.300 -0.312 0.000 1.128 158 M CA -0.091 55.055 55.300 -0.257 0.000 1.016 158 M CB 1.210 33.566 32.600 -0.406 0.000 1.665 158 M HN 0.470 8.760 8.290 0.000 0.000 0.445 159 I N 6.021 126.366 120.570 -0.376 0.000 2.537 159 I HA 0.223 4.398 4.170 0.010 0.000 0.276 159 I C -1.350 174.613 176.117 -0.258 0.000 1.063 159 I CA -0.740 60.410 61.300 -0.251 0.000 1.144 159 I CB 0.163 38.077 38.000 -0.144 0.000 1.252 159 I HN 0.572 8.782 8.210 0.000 0.000 0.480 160 Y N 3.083 123.333 120.300 -0.083 0.000 2.304 160 Y HA 0.151 4.707 4.550 0.011 0.000 0.327 160 Y C 1.635 177.520 175.900 -0.025 0.000 1.209 160 Y CA -0.242 57.819 58.100 -0.065 0.000 1.299 160 Y CB 1.160 39.615 38.460 -0.007 0.000 1.249 160 Y HN 0.625 8.905 8.280 0.000 0.000 0.519 161 S N 0.482 116.284 115.700 0.170 0.000 3.561 161 S HA -0.180 4.296 4.470 0.010 0.000 0.318 161 S C -0.320 174.288 174.600 0.013 0.000 1.181 161 S CA 0.371 58.639 58.200 0.114 0.000 0.916 161 S CB -1.195 62.216 63.200 0.351 0.000 0.966 161 S HN 0.573 8.883 8.310 0.000 0.000 0.550 162 Q N 0.097 119.857 119.800 -0.067 0.000 2.222 162 Q HA 0.773 5.119 4.340 0.010 0.000 0.252 162 Q C 0.806 176.655 176.000 -0.252 0.000 0.926 162 Q CA 0.311 56.038 55.803 -0.127 0.000 0.899 162 Q CB 1.442 30.077 28.738 -0.172 0.000 1.250 162 Q HN 0.406 8.676 8.270 0.000 0.000 0.441 163 A N 1.125 123.810 122.820 -0.225 0.000 2.791 163 A HA 0.014 4.340 4.320 0.010 0.000 0.212 163 A C 1.299 178.672 177.584 -0.352 0.000 1.976 163 A CA 0.297 52.183 52.037 -0.252 0.000 0.920 163 A CB -0.665 18.285 19.000 -0.083 0.000 1.800 163 A HN 0.901 9.051 8.150 0.000 0.000 0.773 164 C N -0.331 118.800 119.300 -0.281 0.000 2.448 164 C HA 0.015 4.481 4.460 0.010 0.000 0.280 164 C C 2.255 176.923 174.990 -0.537 0.000 1.398 164 C CA 0.889 59.640 59.018 -0.444 0.000 1.774 164 C CB -1.752 25.683 27.740 -0.508 0.000 1.888 164 C HN 0.847 9.077 8.230 0.000 0.000 0.519 165 H N -0.390 118.454 119.070 -0.376 0.000 2.546 165 H HA 0.028 4.590 4.556 0.009 0.000 0.277 165 H C 1.901 177.112 175.328 -0.195 0.000 1.004 165 H CA 0.780 56.647 56.048 -0.301 0.000 1.231 165 H CB -0.555 29.108 29.762 -0.165 0.000 1.382 165 H HN 0.358 8.638 8.280 0.000 0.000 0.580 166 M N 2.214 121.452 119.600 -0.604 0.000 2.296 166 M HA 0.058 4.544 4.480 0.010 0.000 0.265 166 M C 2.385 178.592 176.300 -0.155 0.000 1.064 166 M CA 1.232 56.292 55.300 -0.400 0.000 1.109 166 M CB -0.722 31.645 32.600 -0.389 0.000 1.396 166 M HN 0.352 8.642 8.290 0.000 0.000 0.430 167 G N -0.669 108.064 108.800 -0.111 0.000 2.459 167 G HA2 -0.176 3.790 3.960 0.010 0.000 0.217 167 G HA3 -0.176 3.790 3.960 0.010 0.000 0.217 167 G C 1.567 176.482 174.900 0.026 0.000 1.183 167 G CA 1.079 46.232 45.100 0.088 0.000 0.776 167 G HN 0.634 8.924 8.290 0.000 0.000 0.552 168 A N 1.210 123.966 122.820 -0.106 0.000 1.902 168 A HA 0.227 4.553 4.320 0.010 0.000 0.217 168 A C 2.834 180.398 177.584 -0.033 0.000 1.181 168 A CA 2.402 54.379 52.037 -0.100 0.000 0.623 168 A CB -0.884 18.054 19.000 -0.104 0.000 0.818 168 A HN 0.903 9.053 8.150 0.000 0.000 0.443 169 A N -0.704 122.103 122.820 -0.022 0.000 1.978 169 A HA -0.145 4.181 4.320 0.010 0.000 0.220 169 A C 2.205 179.791 177.584 0.003 0.000 1.170 169 A CA 1.787 53.824 52.037 0.000 0.000 0.636 169 A CB -0.565 18.437 19.000 0.003 0.000 0.810 169 A HN 0.547 8.697 8.150 0.000 0.000 0.448 170 M N -0.707 118.905 119.600 0.019 0.000 2.296 170 M HA -0.064 4.422 4.480 0.010 0.000 0.265 170 M C 1.841 178.165 176.300 0.040 0.000 1.064 170 M CA 1.023 56.343 55.300 0.034 0.000 1.109 170 M CB -0.388 32.251 32.600 0.065 0.000 1.396 170 M HN 0.408 8.698 8.290 0.000 0.000 0.430 171 L N -0.834 120.421 121.223 0.052 0.000 2.109 171 L HA -0.165 4.181 4.340 0.010 0.000 0.207 171 L C 2.605 179.477 176.870 0.003 0.000 1.086 171 L CA 0.999 55.859 54.840 0.033 0.000 0.760 171 L CB -0.638 41.433 42.059 0.020 0.000 0.910 171 L HN 0.313 8.543 8.230 0.000 0.000 0.437 172 R N 1.047 121.546 120.500 -0.002 0.000 2.073 172 R HA -0.167 4.179 4.340 0.010 0.000 0.234 172 R C 2.274 178.566 176.300 -0.013 0.000 1.134 172 R CA 1.548 57.644 56.100 -0.007 0.000 0.952 172 R CB -0.249 30.050 30.300 -0.002 0.000 0.850 172 R HN 0.234 8.504 8.270 0.000 0.000 0.433 173 I N 0.886 121.449 120.570 -0.013 0.000 2.099 173 I HA -0.257 3.919 4.170 0.010 0.000 0.239 173 I C 2.601 178.691 176.117 -0.046 0.000 1.066 173 I CA 1.488 62.773 61.300 -0.025 0.000 1.324 173 I CB -0.539 37.449 38.000 -0.020 0.000 1.037 173 I HN 0.320 8.530 8.210 0.000 0.000 0.401 174 A N 0.589 123.382 122.820 -0.045 0.000 2.024 174 A HA -0.270 4.056 4.320 0.010 0.000 0.220 174 A C 2.376 179.916 177.584 -0.074 0.000 1.164 174 A CA 1.935 53.928 52.037 -0.073 0.000 0.643 174 A CB -0.627 18.341 19.000 -0.053 0.000 0.806 174 A HN 0.432 8.582 8.150 0.000 0.000 0.451 175 K N -0.359 120.014 120.400 -0.044 0.000 2.032 175 K HA -0.221 4.104 4.320 0.010 0.000 0.209 175 K C 1.196 177.768 176.600 -0.047 0.000 1.048 175 K CA 1.873 58.140 56.287 -0.034 0.000 0.927 175 K CB -0.230 32.260 32.500 -0.017 0.000 0.712 175 K HN 0.370 8.620 8.250 0.000 0.000 0.441 176 D N 0.707 121.076 120.400 -0.052 0.000 2.183 176 D HA -0.089 4.557 4.640 0.010 0.000 0.203 176 D C 2.033 178.283 176.300 -0.084 0.000 0.969 176 D CA 0.816 54.784 54.000 -0.052 0.000 0.842 176 D CB 0.003 40.779 40.800 -0.040 0.000 0.957 176 D HN 0.266 8.636 8.370 0.000 0.000 0.484 177 L N 0.584 121.724 121.223 -0.138 0.000 2.027 177 L HA -0.080 4.266 4.340 0.010 0.000 0.206 177 L C 2.580 179.312 176.870 -0.231 0.000 1.074 177 L CA 1.190 55.874 54.840 -0.260 0.000 0.745 177 L CB -0.601 41.183 42.059 -0.459 0.000 0.898 177 L HN -0.040 8.190 8.230 0.000 0.000 0.433 178 A N 0.198 122.918 122.820 -0.167 0.000 1.898 178 A HA -0.182 4.144 4.320 0.010 0.000 0.216 178 A C 2.161 179.714 177.584 -0.052 0.000 1.181 178 A CA 1.489 53.465 52.037 -0.102 0.000 0.620 178 A CB -0.405 18.550 19.000 -0.075 0.000 0.819 178 A HN 0.446 8.596 8.150 0.000 0.000 0.442 179 E N -0.731 119.443 120.200 -0.043 0.000 2.152 179 E HA -0.144 4.212 4.350 0.010 0.000 0.192 179 E C 1.543 178.132 176.600 -0.018 0.000 0.983 179 E CA 1.025 57.412 56.400 -0.021 0.000 0.818 179 E CB -0.127 29.565 29.700 -0.014 0.000 0.758 179 E HN 0.610 8.970 8.360 0.000 0.000 0.467 180 N N 0.476 119.158 118.700 -0.029 0.000 2.422 180 N HA -0.019 4.727 4.740 0.010 0.000 0.181 180 N C -0.684 174.823 175.510 -0.006 0.000 1.080 180 N CA 0.259 53.297 53.050 -0.020 0.000 0.893 180 N CB 0.453 38.925 38.487 -0.024 0.000 0.973 180 N HN -0.024 8.356 8.380 0.000 0.000 0.456 181 N N 0.840 119.538 118.700 -0.003 0.000 2.531 181 N HA 0.086 4.832 4.740 0.010 0.000 0.268 181 N C -1.139 174.392 175.510 0.035 0.000 1.023 181 N CA -0.451 52.617 53.050 0.030 0.000 0.896 181 N CB 1.800 40.332 38.487 0.074 0.000 1.233 181 N HN 0.158 8.538 8.380 0.000 0.000 0.512 182 R N 0.957 121.477 120.500 0.033 0.000 2.486 182 R HA 0.050 4.396 4.340 0.010 0.000 0.303 182 R C 1.078 177.408 176.300 0.049 0.000 0.958 182 R CA 1.578 57.699 56.100 0.035 0.000 1.077 182 R CB -0.205 30.113 30.300 0.029 0.000 0.921 182 R HN 0.850 9.120 8.270 0.000 0.000 0.406 183 G N 2.174 111.006 108.800 0.053 0.000 2.179 183 G HA2 -0.340 3.626 3.960 0.010 0.000 0.260 183 G HA3 -0.340 3.626 3.960 0.010 0.000 0.260 183 G C 0.149 175.102 174.900 0.089 0.000 0.977 183 G CA 0.103 45.245 45.100 0.070 0.000 0.641 183 G HN 0.959 9.249 8.290 0.000 0.000 0.533 184 A N 0.489 123.360 122.820 0.085 0.000 2.492 184 A HA 0.610 4.935 4.320 0.010 0.000 0.254 184 A C 0.659 178.286 177.584 0.072 0.000 1.091 184 A CA 0.347 52.454 52.037 0.116 0.000 0.768 184 A CB 0.239 19.295 19.000 0.092 0.000 1.028 184 A HN 0.328 8.478 8.150 0.000 0.000 0.498 185 R N 2.401 122.952 120.500 0.085 0.000 2.409 185 R HA 0.436 4.782 4.340 0.010 0.000 0.313 185 R C -1.419 174.831 176.300 -0.084 0.000 0.953 185 R CA -0.548 55.527 56.100 -0.041 0.000 0.849 185 R CB 1.388 31.680 30.300 -0.013 0.000 1.171 185 R HN 0.427 8.697 8.270 0.000 0.000 0.458 186 V N 4.816 124.638 119.914 -0.153 0.000 2.347 186 V HA 0.262 4.388 4.120 0.010 0.000 0.280 186 V C -0.041 175.937 176.094 -0.194 0.000 1.021 186 V CA -0.958 61.275 62.300 -0.112 0.000 0.847 186 V CB 1.618 33.368 31.823 -0.121 0.000 0.990 186 V HN 0.453 8.643 8.190 0.000 0.000 0.444 187 L N 7.426 128.548 121.223 -0.168 0.000 2.315 187 L HA 0.472 4.818 4.340 0.010 0.000 0.283 187 L C -0.215 176.566 176.870 -0.148 0.000 1.089 187 L CA 0.518 55.239 54.840 -0.197 0.000 0.833 187 L CB 1.129 43.079 42.059 -0.183 0.000 1.170 187 L HN 0.455 8.685 8.230 0.000 0.000 0.442 188 V N 6.236 126.048 119.914 -0.169 0.000 2.384 188 V HA 0.608 4.734 4.120 0.010 0.000 0.287 188 V C -0.432 175.523 176.094 -0.232 0.000 1.020 188 V CA -0.598 61.615 62.300 -0.146 0.000 0.850 188 V CB 1.726 33.485 31.823 -0.107 0.000 0.987 188 V HN 0.515 8.705 8.190 0.000 0.000 0.436 189 V N 3.402 123.219 119.914 -0.163 0.000 2.686 189 V HA 0.883 5.009 4.120 0.010 0.000 0.306 189 V C -0.044 176.073 176.094 0.038 0.000 1.065 189 V CA -0.636 61.554 62.300 -0.183 0.000 0.894 189 V CB 1.903 33.529 31.823 -0.330 0.000 1.004 189 V HN 0.974 9.164 8.190 0.000 0.000 0.424 190 A N 2.751 125.541 122.820 -0.050 0.000 2.355 190 A HA 0.858 5.183 4.320 0.010 0.000 0.317 190 A C -0.797 176.875 177.584 0.146 0.000 1.094 190 A CA -0.520 51.567 52.037 0.083 0.000 0.764 190 A CB 1.622 20.656 19.000 0.057 0.000 1.230 190 A HN 1.201 9.351 8.150 0.000 0.000 0.448 191 C N 2.747 122.167 119.300 0.199 0.000 2.642 191 C HA 0.746 5.212 4.460 0.010 0.000 0.344 191 C C -1.534 173.509 174.990 0.089 0.000 1.110 191 C CA -0.446 58.681 59.018 0.180 0.000 1.298 191 C CB 0.935 28.855 27.740 0.299 0.000 1.827 191 C HN 0.872 9.102 8.230 0.000 0.000 0.467 192 E N 5.139 125.378 120.200 0.065 0.000 2.234 192 E HA 0.612 4.968 4.350 0.010 0.000 0.266 192 E C -1.162 175.467 176.600 0.047 0.000 0.877 192 E CA -0.353 56.060 56.400 0.021 0.000 0.758 192 E CB 2.333 32.018 29.700 -0.025 0.000 1.170 192 E HN 0.710 9.070 8.360 0.000 0.000 0.415 193 I N 1.284 121.880 120.570 0.044 0.000 2.499 193 I HA 0.117 4.293 4.170 0.010 0.000 0.288 193 I C 0.894 177.063 176.117 0.086 0.000 1.048 193 I CA -0.536 60.807 61.300 0.072 0.000 1.062 193 I CB 2.153 40.179 38.000 0.043 0.000 1.238 193 I HN 0.451 8.661 8.210 0.000 0.000 0.426 194 T N 1.492 116.120 114.554 0.123 0.000 3.272 194 T HA 0.058 4.414 4.350 0.010 0.000 0.250 194 T C 1.413 176.253 174.700 0.233 0.000 1.082 194 T CA -0.157 62.042 62.100 0.164 0.000 0.968 194 T CB -0.130 68.861 68.868 0.206 0.000 1.015 194 T HN 0.364 8.604 8.240 0.000 0.000 0.563 195 V N 1.230 121.260 119.914 0.194 0.000 2.380 195 V HA -0.136 3.990 4.120 0.010 0.000 0.251 195 V C 2.478 178.717 176.094 0.242 0.000 1.063 195 V CA 1.610 64.032 62.300 0.204 0.000 1.055 195 V CB -0.565 31.346 31.823 0.146 0.000 0.657 195 V HN 0.552 8.742 8.190 0.000 0.000 0.455 196 L N 0.327 121.695 121.223 0.243 0.000 2.291 196 L HA -0.079 4.267 4.340 0.010 0.000 0.214 196 L C 2.275 179.347 176.870 0.338 0.000 1.120 196 L CA 1.534 56.558 54.840 0.306 0.000 0.799 196 L CB -0.215 42.103 42.059 0.432 0.000 0.925 196 L HN 0.556 8.786 8.230 0.000 0.000 0.446 197 S N -1.893 114.001 115.700 0.323 0.000 2.512 197 S HA 0.051 4.527 4.470 0.010 0.000 0.216 197 S C 0.506 175.295 174.600 0.314 0.000 1.006 197 S CA -0.543 57.832 58.200 0.293 0.000 0.915 197 S CB -0.273 63.114 63.200 0.310 0.000 0.824 197 S HN 0.134 8.444 8.310 0.000 0.000 0.497 198 F N 5.219 125.303 119.950 0.223 0.000 2.578 198 F HA 0.376 4.909 4.527 0.009 0.000 0.376 198 F C 0.542 176.466 175.800 0.207 0.000 1.085 198 F CA -0.066 58.074 58.000 0.234 0.000 1.260 198 F CB 0.470 39.606 39.000 0.227 0.000 1.095 198 F HN 0.324 8.624 8.300 0.000 0.000 0.573 199 R N 4.081 124.343 120.500 -0.396 0.000 2.716 199 R HA 0.614 4.960 4.340 0.010 0.000 0.271 199 R C -0.663 175.451 176.300 -0.309 0.000 1.028 199 R CA -0.896 55.076 56.100 -0.213 0.000 0.883 199 R CB 0.441 30.718 30.300 -0.038 0.000 1.250 199 R HN 0.780 9.050 8.270 0.000 0.000 0.465 200 G N 1.073 109.756 108.800 -0.196 0.000 2.636 200 G HA2 0.389 4.355 3.960 0.010 0.000 0.246 200 G HA3 0.389 4.355 3.960 0.010 0.000 0.246 200 G C -2.194 172.592 174.900 -0.190 0.000 1.216 200 G CA -1.064 43.845 45.100 -0.318 0.000 0.854 200 G HN 0.515 8.805 8.290 0.000 0.000 0.572 201 P HA 0.214 4.634 4.420 0.000 0.000 0.282 201 P C -0.942 176.149 177.300 -0.348 0.000 1.249 201 P CA -0.575 62.343 63.100 -0.304 0.000 0.806 201 P CB 1.627 33.044 31.700 -0.472 0.000 0.984 202 N N 0.253 118.693 118.700 -0.434 0.000 2.235 202 N HA 0.088 4.834 4.740 0.010 0.000 0.293 202 N C 1.042 176.391 175.510 -0.268 0.000 1.083 202 N CA -0.604 52.133 53.050 -0.521 0.000 0.801 202 N CB 1.529 39.288 38.487 -1.214 0.000 1.559 202 N HN 0.239 8.619 8.380 0.000 0.000 0.472 203 E N 1.153 121.257 120.200 -0.160 0.000 2.338 203 E HA -0.040 4.316 4.350 0.010 0.000 0.197 203 E C 0.972 177.544 176.600 -0.046 0.000 1.007 203 E CA 0.804 57.171 56.400 -0.055 0.000 0.849 203 E CB 0.045 29.729 29.700 -0.028 0.000 0.774 203 E HN 0.651 9.011 8.360 0.000 0.000 0.506 204 G N 1.105 109.849 108.800 -0.092 0.000 3.233 204 G HA2 -0.070 3.896 3.960 0.010 0.000 0.227 204 G HA3 -0.070 3.896 3.960 0.010 0.000 0.227 204 G C -0.070 174.826 174.900 -0.006 0.000 1.175 204 G CA -0.164 44.907 45.100 -0.048 0.000 0.781 204 G HN 0.019 8.309 8.290 0.000 0.000 0.542 205 D N -0.215 120.187 120.400 0.002 0.000 2.429 205 D HA 0.114 4.760 4.640 0.010 0.000 0.255 205 D C 0.801 177.229 176.300 0.212 0.000 1.257 205 D CA -0.888 53.170 54.000 0.096 0.000 0.890 205 D CB -0.035 40.796 40.800 0.051 0.000 1.267 205 D HN 0.189 8.559 8.370 0.000 0.000 0.521 206 F N 1.360 121.341 119.950 0.050 0.000 2.558 206 F HA 0.179 4.712 4.527 0.010 0.000 0.298 206 F C 1.411 177.317 175.800 0.176 0.000 1.119 206 F CA 0.306 58.374 58.000 0.113 0.000 1.451 206 F CB 0.461 39.528 39.000 0.111 0.000 1.091 206 F HN 0.063 8.363 8.300 0.000 0.000 0.563 207 E N 1.360 121.643 120.200 0.140 0.000 2.047 207 E HA -0.136 4.220 4.350 0.010 0.000 0.191 207 E C 2.467 179.212 176.600 0.242 0.000 0.987 207 E CA 1.191 57.593 56.400 0.004 0.000 0.799 207 E CB -0.259 29.399 29.700 -0.070 0.000 0.752 207 E HN 0.535 8.895 8.360 0.000 0.000 0.449 208 A N 0.758 123.715 122.820 0.228 0.000 1.930 208 A HA -0.143 4.183 4.320 0.010 0.000 0.217 208 A C 2.085 179.784 177.584 0.192 0.000 1.175 208 A CA 0.839 53.021 52.037 0.242 0.000 0.627 208 A CB -0.411 18.732 19.000 0.237 0.000 0.815 208 A HN 0.179 8.329 8.150 0.000 0.000 0.443 209 L N -0.254 121.059 121.223 0.150 0.000 2.046 209 L HA -0.059 4.287 4.340 0.010 0.000 0.208 209 L C 2.773 179.763 176.870 0.200 0.000 1.077 209 L CA 1.958 56.864 54.840 0.111 0.000 0.747 209 L CB -0.848 41.309 42.059 0.162 0.000 0.896 209 L HN 0.366 8.596 8.230 0.000 0.000 0.432 210 A N -0.888 122.020 122.820 0.148 0.000 1.972 210 A HA -0.078 4.248 4.320 0.010 0.000 0.219 210 A C 2.357 179.968 177.584 0.044 0.000 1.169 210 A CA 1.435 53.517 52.037 0.075 0.000 0.635 210 A CB -1.405 17.574 19.000 -0.035 0.000 0.810 210 A HN 0.492 8.642 8.150 0.000 0.000 0.446 211 G N -0.742 108.156 108.800 0.163 0.000 2.440 211 G HA2 -0.261 3.705 3.960 0.010 0.000 0.218 211 G HA3 -0.261 3.705 3.960 0.010 0.000 0.218 211 G C 1.429 176.471 174.900 0.236 0.000 1.154 211 G CA 1.040 46.302 45.100 0.270 0.000 0.767 211 G HN 0.487 8.777 8.290 0.000 0.000 0.552 212 Q N 0.427 120.324 119.800 0.161 0.000 2.297 212 Q HA 0.014 4.360 4.340 0.010 0.000 0.208 212 Q C 2.591 178.666 176.000 0.124 0.000 0.981 212 Q CA 1.332 57.185 55.803 0.084 0.000 0.876 212 Q CB -0.496 28.052 28.738 -0.316 0.000 0.921 212 Q HN 0.533 8.803 8.270 0.000 0.000 0.446 213 A N -0.530 122.355 122.820 0.108 0.000 2.115 213 A HA 0.285 4.610 4.320 0.010 0.000 0.211 213 A C 1.986 179.412 177.584 -0.262 0.000 1.169 213 A CA 0.979 52.965 52.037 -0.086 0.000 0.787 213 A CB 0.075 19.005 19.000 -0.116 0.000 0.858 213 A HN 0.391 8.541 8.150 0.000 0.000 0.474 214 G N -1.595 107.049 108.800 -0.260 0.000 2.759 214 G HA2 0.369 4.335 3.960 0.010 0.000 0.208 214 G HA3 0.369 4.335 3.960 0.010 0.000 0.208 214 G C -0.009 174.721 174.900 -0.284 0.000 1.076 214 G CA -0.198 44.706 45.100 -0.327 0.000 0.789 214 G HN 0.196 8.486 8.290 0.000 0.000 0.546 215 F N 1.671 121.595 119.950 -0.042 0.000 2.427 215 F HA 0.625 5.158 4.527 0.010 0.000 0.352 215 F C 0.924 176.692 175.800 -0.054 0.000 1.100 215 F CA -0.775 57.213 58.000 -0.020 0.000 1.191 215 F CB 1.498 40.520 39.000 0.036 0.000 1.128 215 F HN 0.076 8.376 8.300 0.000 0.000 0.533 216 G N 1.576 110.476 108.800 0.168 0.000 2.816 216 G HA2 0.546 4.512 3.960 0.010 0.000 0.288 216 G HA3 0.546 4.512 3.960 0.010 0.000 0.288 216 G C -1.577 173.388 174.900 0.108 0.000 1.334 216 G CA -0.837 44.319 45.100 0.093 0.000 0.978 216 G HN 0.388 8.678 8.290 0.000 0.000 0.493 217 D N -0.899 119.574 120.400 0.121 0.000 2.217 217 D HA 0.696 5.342 4.640 0.010 0.000 0.248 217 D C 0.378 176.738 176.300 0.100 0.000 1.008 217 D CA 0.210 54.280 54.000 0.116 0.000 0.914 217 D CB 1.792 42.686 40.800 0.157 0.000 1.182 217 D HN 0.823 9.193 8.370 0.000 0.000 0.451 218 G N -1.214 107.637 108.800 0.086 0.000 2.377 218 G HA2 0.603 4.569 3.960 0.010 0.000 0.297 218 G HA3 0.603 4.569 3.960 0.010 0.000 0.297 218 G C -1.942 173.066 174.900 0.179 0.000 1.547 218 G CA -0.406 44.760 45.100 0.110 0.000 0.833 218 G HN 0.584 8.874 8.290 0.000 0.000 0.583 219 A N -0.797 122.188 122.820 0.275 0.000 2.435 219 A HA 1.027 5.353 4.320 0.010 0.000 0.304 219 A C 0.064 177.764 177.584 0.194 0.000 1.064 219 A CA -0.069 52.087 52.037 0.198 0.000 0.727 219 A CB 2.057 21.114 19.000 0.094 0.000 1.284 219 A HN 2.214 10.364 8.150 0.000 0.000 0.415 220 G N -0.634 108.196 108.800 0.051 0.000 2.620 220 G HA2 0.825 4.791 3.960 0.010 0.000 0.301 220 G HA3 0.825 4.791 3.960 0.010 0.000 0.301 220 G C -0.825 173.840 174.900 -0.391 0.000 1.347 220 G CA 0.071 45.087 45.100 -0.140 0.000 0.971 220 G HN 1.819 10.109 8.290 0.000 0.000 0.488 221 A N 0.161 122.745 122.820 -0.394 0.000 2.486 221 A HA 0.908 5.234 4.320 0.010 0.000 0.300 221 A C -0.397 177.014 177.584 -0.289 0.000 1.048 221 A CA -0.236 51.568 52.037 -0.390 0.000 0.696 221 A CB 1.719 20.563 19.000 -0.261 0.000 1.278 221 A HN 2.176 10.326 8.150 0.000 0.000 0.405 222 V N -1.172 118.587 119.914 -0.259 0.000 3.158 222 V HA 0.945 5.071 4.120 0.010 0.000 0.311 222 V C -0.844 175.135 176.094 -0.192 0.000 1.181 222 V CA -0.865 61.357 62.300 -0.129 0.000 1.054 222 V CB 1.590 33.424 31.823 0.018 0.000 1.085 222 V HN 0.874 9.064 8.190 0.000 0.000 0.446 223 V N 1.117 120.897 119.914 -0.222 0.000 2.487 223 V HA 0.664 4.790 4.120 0.010 0.000 0.298 223 V C -0.495 175.429 176.094 -0.283 0.000 1.028 223 V CA -0.388 61.674 62.300 -0.397 0.000 0.860 223 V CB 1.683 33.022 31.823 -0.808 0.000 0.991 223 V HN 0.795 8.985 8.190 0.000 0.000 0.427 224 V N 3.479 123.246 119.914 -0.245 0.000 2.540 224 V HA 0.985 5.111 4.120 0.010 0.000 0.302 224 V C 0.398 176.410 176.094 -0.136 0.000 1.035 224 V CA -0.152 62.066 62.300 -0.137 0.000 0.873 224 V CB 1.739 33.514 31.823 -0.081 0.000 0.992 224 V HN 1.042 9.232 8.190 0.000 0.000 0.428 225 G N 2.318 111.075 108.800 -0.070 0.000 2.720 225 G HA2 0.750 4.716 3.960 0.010 0.000 0.295 225 G HA3 0.750 4.716 3.960 0.010 0.000 0.295 225 G C -0.999 173.906 174.900 0.008 0.000 1.437 225 G CA -0.033 45.051 45.100 -0.027 0.000 0.886 225 G HN 1.027 9.317 8.290 0.000 0.000 0.509 226 A N 0.604 123.433 122.820 0.015 0.000 2.256 226 A HA 0.742 5.068 4.320 0.010 0.000 0.318 226 A C 0.103 177.710 177.584 0.038 0.000 1.103 226 A CA -0.035 52.017 52.037 0.024 0.000 0.860 226 A CB 0.298 19.307 19.000 0.015 0.000 1.182 226 A HN 1.132 9.282 8.150 0.000 0.000 0.501 227 D N -0.175 120.247 120.400 0.036 0.000 2.927 227 D HA -0.100 4.546 4.640 0.010 0.000 0.236 227 D C -2.250 174.080 176.300 0.050 0.000 1.163 227 D CA 0.826 54.849 54.000 0.039 0.000 0.801 227 D CB -1.635 39.186 40.800 0.035 0.000 0.975 227 D HN 0.430 8.800 8.370 0.000 0.000 0.413 228 P HA 0.035 4.455 4.420 0.000 0.000 0.268 228 P C 0.751 178.081 177.300 0.051 0.000 1.205 228 P CA -0.305 62.834 63.100 0.066 0.000 0.771 228 P CB 0.745 32.480 31.700 0.057 0.000 0.858 229 L N 2.261 123.518 121.223 0.055 0.000 2.500 229 L HA 0.058 4.404 4.340 0.010 0.000 0.272 229 L C 1.375 178.254 176.870 0.015 0.000 1.149 229 L CA 0.176 55.033 54.840 0.028 0.000 0.897 229 L CB -0.399 41.669 42.059 0.014 0.000 1.178 229 L HN 0.441 8.671 8.230 0.000 0.000 0.473 230 E N 2.812 123.018 120.200 0.010 0.000 2.417 230 E HA 0.069 4.425 4.350 0.010 0.000 0.261 230 E C 1.118 177.715 176.600 -0.005 0.000 1.000 230 E CA 0.827 57.230 56.400 0.005 0.000 0.919 230 E CB 0.452 30.155 29.700 0.004 0.000 0.955 230 E HN 0.828 9.188 8.360 0.000 0.000 0.455 231 G N 3.754 112.551 108.800 -0.006 0.000 2.184 231 G HA2 -0.276 3.690 3.960 0.010 0.000 0.264 231 G HA3 -0.276 3.690 3.960 0.010 0.000 0.264 231 G C 0.618 175.504 174.900 -0.024 0.000 0.975 231 G CA 0.625 45.717 45.100 -0.013 0.000 0.642 231 G HN 0.605 8.895 8.290 0.000 0.000 0.536 232 I N -0.714 119.841 120.570 -0.025 0.000 3.739 232 I HA 0.299 4.474 4.170 0.010 0.000 0.272 232 I C 0.981 177.071 176.117 -0.044 0.000 1.167 232 I CA -0.001 61.269 61.300 -0.050 0.000 1.386 232 I CB 0.326 38.287 38.000 -0.064 0.000 1.490 232 I HN 0.066 8.276 8.210 0.000 0.000 0.452 233 E N 2.526 122.724 120.200 -0.002 0.000 2.175 233 E HA 0.385 4.741 4.350 0.010 0.000 0.278 233 E C -0.821 175.808 176.600 0.048 0.000 0.969 233 E CA -0.349 56.083 56.400 0.053 0.000 0.796 233 E CB 1.543 31.323 29.700 0.132 0.000 1.104 233 E HN 0.048 8.408 8.360 0.000 0.000 0.395 234 K N 3.971 124.401 120.400 0.051 0.000 2.572 234 K HA 0.323 4.649 4.320 0.010 0.000 0.244 234 K C -2.618 173.984 176.600 0.004 0.000 0.965 234 K CA -1.973 54.323 56.287 0.015 0.000 0.943 234 K CB 1.651 34.146 32.500 -0.009 0.000 1.154 234 K HN 0.242 8.492 8.250 0.000 0.000 0.447 235 P HA 0.097 4.517 4.420 0.000 0.000 0.268 235 P C 0.280 177.519 177.300 -0.102 0.000 1.205 235 P CA -0.047 63.041 63.100 -0.020 0.000 0.771 235 P CB 0.724 32.421 31.700 -0.006 0.000 0.858 236 I N 0.794 121.279 120.570 -0.142 0.000 2.494 236 I HA -0.017 4.159 4.170 0.010 0.000 0.250 236 I C 0.173 175.918 176.117 -0.619 0.000 1.112 236 I CA 1.053 62.127 61.300 -0.376 0.000 1.438 236 I CB -0.116 37.692 38.000 -0.321 0.000 1.111 236 I HN 0.287 8.497 8.210 0.000 0.000 0.431 237 Y N 0.221 120.518 120.300 -0.005 0.000 2.524 237 Y HA 0.419 4.974 4.550 0.009 0.000 0.347 237 Y C -0.386 175.528 175.900 0.023 0.000 1.005 237 Y CA -1.308 56.805 58.100 0.021 0.000 1.025 237 Y CB 1.218 39.719 38.460 0.069 0.000 1.275 237 Y HN -0.101 8.179 8.280 0.000 0.000 0.460 238 E N 2.725 123.044 120.200 0.198 0.000 2.216 238 E HA 0.454 4.810 4.350 0.010 0.000 0.279 238 E C -0.971 175.720 176.600 0.152 0.000 0.997 238 E CA -0.629 55.849 56.400 0.130 0.000 0.817 238 E CB 1.937 31.685 29.700 0.081 0.000 1.096 238 E HN 0.464 8.824 8.360 0.000 0.000 0.393 239 I N 2.697 123.334 120.570 0.111 0.000 2.308 239 I HA 0.085 4.261 4.170 0.010 0.000 0.293 239 I C 0.936 177.111 176.117 0.096 0.000 1.078 239 I CA 0.046 61.399 61.300 0.087 0.000 1.292 239 I CB 0.999 39.029 38.000 0.050 0.000 1.423 239 I HN 0.667 8.877 8.210 0.000 0.000 0.493 240 A N 5.512 128.410 122.820 0.129 0.000 1.984 240 A HA 0.631 4.956 4.320 0.010 0.000 0.214 240 A C 0.973 178.578 177.584 0.035 0.000 1.173 240 A CA 0.795 52.910 52.037 0.129 0.000 0.673 240 A CB 0.225 19.376 19.000 0.252 0.000 0.830 240 A HN 0.736 8.886 8.150 0.000 0.000 0.453 241 A N -1.886 120.937 122.820 0.006 0.000 2.605 241 A HA 0.706 5.032 4.320 0.010 0.000 0.294 241 A C -0.871 176.696 177.584 -0.028 0.000 1.062 241 A CA 0.130 52.152 52.037 -0.024 0.000 0.682 241 A CB 0.481 19.447 19.000 -0.056 0.000 1.278 241 A HN 1.656 9.806 8.150 0.000 0.000 0.410 242 A N 1.982 124.786 122.820 -0.025 0.000 2.427 242 A HA 0.869 5.195 4.320 0.010 0.000 0.298 242 A C -0.567 177.005 177.584 -0.020 0.000 1.036 242 A CA -0.052 51.970 52.037 -0.025 0.000 0.701 242 A CB 1.039 20.028 19.000 -0.017 0.000 1.250 242 A HN 2.193 10.343 8.150 0.000 0.000 0.412 243 M N 0.929 120.518 119.600 -0.018 0.000 2.644 243 M HA 0.642 5.128 4.480 0.010 0.000 0.273 243 M C -1.633 174.665 176.300 -0.003 0.000 1.253 243 M CA -0.550 54.743 55.300 -0.011 0.000 0.852 243 M CB 1.941 34.532 32.600 -0.015 0.000 1.708 243 M HN 0.697 8.987 8.290 0.000 0.000 0.471 244 Q N 0.909 120.710 119.800 0.001 0.000 2.394 244 Q HA 0.602 4.948 4.340 0.010 0.000 0.273 244 Q C -1.903 174.095 176.000 -0.003 0.000 1.089 244 Q CA -0.320 55.486 55.803 0.004 0.000 0.812 244 Q CB 3.085 31.832 28.738 0.015 0.000 1.353 244 Q HN 0.874 9.144 8.270 0.000 0.000 0.438 245 E N 0.965 121.158 120.200 -0.011 0.000 2.343 245 E HA 0.410 4.766 4.350 0.010 0.000 0.278 245 E C -1.663 174.921 176.600 -0.026 0.000 0.910 245 E CA -0.461 55.931 56.400 -0.013 0.000 0.757 245 E CB 2.282 31.977 29.700 -0.009 0.000 1.218 245 E HN 0.544 8.904 8.360 0.000 0.000 0.435 246 T N 2.022 116.564 114.554 -0.020 0.000 2.794 246 T HA 0.342 4.698 4.350 0.010 0.000 0.280 246 T C -0.539 174.153 174.700 -0.013 0.000 0.987 246 T CA -0.556 61.530 62.100 -0.023 0.000 0.993 246 T CB 1.225 70.085 68.868 -0.013 0.000 0.939 246 T HN 0.209 8.449 8.240 0.000 0.000 0.449 247 V N 2.998 122.904 119.914 -0.015 0.000 2.498 247 V HA 0.498 4.624 4.120 0.010 0.000 0.279 247 V C 0.842 176.938 176.094 0.003 0.000 1.048 247 V CA -0.987 61.308 62.300 -0.008 0.000 0.967 247 V CB 0.823 32.637 31.823 -0.015 0.000 0.988 247 V HN 1.109 9.299 8.190 0.000 0.000 0.473 248 A N 4.704 127.527 122.820 0.006 0.000 2.511 248 A HA 0.340 4.666 4.320 0.010 0.000 0.242 248 A C 0.846 178.441 177.584 0.018 0.000 1.069 248 A CA -0.096 51.948 52.037 0.012 0.000 0.763 248 A CB -0.222 18.784 19.000 0.010 0.000 1.001 248 A HN 1.003 9.153 8.150 0.000 0.000 0.498 249 E N 0.778 120.993 120.200 0.025 0.000 2.252 249 E HA -0.184 4.172 4.350 0.010 0.000 0.218 249 E C 0.356 176.980 176.600 0.041 0.000 1.253 249 E CA 1.224 57.644 56.400 0.032 0.000 0.705 249 E CB -2.259 27.456 29.700 0.025 0.000 1.172 249 E HN 1.198 9.558 8.360 0.000 0.000 0.369 250 S N -1.882 113.849 115.700 0.051 0.000 3.031 250 S HA 0.020 4.496 4.470 0.010 0.000 0.253 250 S C 1.338 175.998 174.600 0.100 0.000 0.996 250 S CA -0.143 58.096 58.200 0.065 0.000 1.098 250 S CB 0.490 63.715 63.200 0.042 0.000 1.042 250 S HN 0.246 8.556 8.310 0.000 0.000 0.593 251 Q N 1.762 121.628 119.800 0.109 0.000 2.291 251 Q HA 0.005 4.351 4.340 0.010 0.000 0.205 251 Q C 1.548 177.704 176.000 0.260 0.000 0.970 251 Q CA 1.947 57.846 55.803 0.159 0.000 0.876 251 Q CB -1.087 27.733 28.738 0.136 0.000 0.935 251 Q HN 0.570 8.840 8.270 0.000 0.000 0.455 252 G N 0.587 109.510 108.800 0.206 0.000 2.712 252 G HA2 0.140 4.106 3.960 0.010 0.000 0.212 252 G HA3 0.140 4.106 3.960 0.010 0.000 0.212 252 G C 1.518 176.635 174.900 0.361 0.000 1.142 252 G CA 0.482 45.724 45.100 0.237 0.000 0.789 252 G HN 0.512 8.802 8.290 0.000 0.000 0.535 253 A N -0.699 122.280 122.820 0.266 0.000 1.972 253 A HA 0.388 4.714 4.320 0.010 0.000 0.219 253 A C 0.875 178.627 177.584 0.281 0.000 1.169 253 A CA 1.552 53.724 52.037 0.226 0.000 0.635 253 A CB -0.041 19.036 19.000 0.128 0.000 0.810 253 A HN 0.983 9.133 8.150 0.000 0.000 0.446 254 V N -3.534 116.530 119.914 0.251 0.000 3.106 254 V HA 0.592 4.718 4.120 0.010 0.000 0.280 254 V C -0.333 175.585 176.094 -0.294 0.000 1.525 254 V CA 0.186 62.503 62.300 0.028 0.000 0.999 254 V CB 1.540 33.406 31.823 0.072 0.000 1.186 254 V HN 1.385 9.575 8.190 0.000 0.000 0.448 255 G N 2.608 110.924 108.800 -0.806 0.000 2.335 255 G HA2 0.793 4.758 3.960 0.010 0.000 0.291 255 G HA3 0.793 4.758 3.960 0.010 0.000 0.291 255 G C -0.298 174.233 174.900 -0.614 0.000 1.261 255 G CA 0.099 44.747 45.100 -0.753 0.000 0.871 255 G HN 2.084 10.374 8.290 0.000 0.000 0.491 256 G N -1.383 107.274 108.800 -0.239 0.000 2.579 256 G HA2 0.613 4.579 3.960 0.010 0.000 0.292 256 G HA3 0.613 4.579 3.960 0.010 0.000 0.292 256 G C -2.019 172.890 174.900 0.014 0.000 1.484 256 G CA -0.691 44.463 45.100 0.089 0.000 0.813 256 G HN 0.839 9.130 8.290 0.000 0.000 0.515 257 H N -0.099 119.205 119.070 0.391 0.000 2.637 257 H HA 0.540 5.101 4.556 0.009 0.000 0.363 257 H C -1.022 174.087 175.328 -0.365 0.000 1.131 257 H CA -0.715 55.386 56.048 0.088 0.000 1.183 257 H CB 2.471 32.277 29.762 0.074 0.000 1.637 257 H HN 0.452 8.732 8.280 0.000 0.000 0.531 258 L N 4.119 124.897 121.223 -0.741 0.000 2.262 258 L HA 0.352 4.698 4.340 0.010 0.000 0.288 258 L C -0.345 176.025 176.870 -0.834 0.000 1.035 258 L CA -0.238 53.853 54.840 -1.248 0.000 0.820 258 L CB -0.061 41.006 42.059 -1.654 0.000 1.204 258 L HN 0.469 8.699 8.230 0.000 0.000 0.424 259 R N 3.392 123.336 120.500 -0.926 0.000 3.084 259 R HA 0.606 4.951 4.340 0.010 0.000 0.234 259 R C 0.729 176.459 176.300 -0.949 0.000 1.433 259 R CA -0.209 55.287 56.100 -1.007 0.000 1.053 259 R CB 0.414 29.834 30.300 -1.467 0.000 1.449 259 R HN 0.541 8.811 8.270 0.000 0.000 0.505 260 A N 0.653 123.017 122.820 -0.760 0.000 2.121 260 A HA -0.111 4.215 4.320 0.010 0.000 0.218 260 A C 1.303 178.763 177.584 -0.206 0.000 1.154 260 A CA 1.349 53.124 52.037 -0.436 0.000 0.679 260 A CB -0.729 18.118 19.000 -0.256 0.000 0.795 260 A HN 0.534 8.684 8.150 0.000 0.000 0.458 261 F N -2.115 117.767 119.950 -0.114 0.000 2.765 261 F HA 0.505 5.038 4.527 0.010 0.000 0.302 261 F C 0.937 176.725 175.800 -0.021 0.000 1.111 261 F CA -0.659 57.300 58.000 -0.068 0.000 1.359 261 F CB -1.055 37.861 39.000 -0.140 0.000 1.097 261 F HN 0.435 8.735 8.300 0.000 0.000 0.577 262 G N -0.079 108.735 108.800 0.023 0.000 2.482 262 G HA2 -0.254 3.712 3.960 0.010 0.000 0.214 262 G HA3 -0.254 3.712 3.960 0.010 0.000 0.214 262 G C -1.166 173.687 174.900 -0.078 0.000 1.271 262 G CA -0.750 44.409 45.100 0.097 0.000 0.944 262 G HN 0.327 8.617 8.290 0.000 0.000 0.568 263 W N 0.558 121.876 121.300 0.030 0.000 2.316 263 W HA 0.620 5.285 4.660 0.009 0.000 0.311 263 W C 0.695 177.043 176.519 -0.286 0.000 1.217 263 W CA 0.566 57.792 57.345 -0.198 0.000 1.199 263 W CB 1.902 31.150 29.460 -0.354 0.000 1.202 263 W HN 0.605 8.785 8.180 0.000 0.000 0.528 264 T N 3.654 118.197 114.554 -0.018 0.000 2.893 264 T HA 0.665 5.021 4.350 0.010 0.000 0.291 264 T C -1.425 173.144 174.700 -0.220 0.000 1.028 264 T CA -0.615 61.425 62.100 -0.099 0.000 0.995 264 T CB 0.465 69.430 68.868 0.162 0.000 1.051 264 T HN 0.075 8.315 8.240 0.000 0.000 0.470 265 F N 3.685 123.821 119.950 0.310 0.000 2.532 265 F HA 0.618 5.151 4.527 0.009 0.000 0.321 265 F C -0.242 175.717 175.800 0.266 0.000 1.089 265 F CA -1.098 57.031 58.000 0.216 0.000 0.926 265 F CB 1.213 40.357 39.000 0.240 0.000 1.168 265 F HN 0.586 8.886 8.300 0.000 0.000 0.459 266 Y N 1.025 121.553 120.300 0.380 0.000 2.587 266 Y HA 0.897 5.453 4.550 0.010 0.000 0.337 266 Y C -1.167 174.936 175.900 0.339 0.000 1.065 266 Y CA -2.532 55.705 58.100 0.228 0.000 1.126 266 Y CB 1.518 40.062 38.460 0.139 0.000 1.279 266 Y HN 0.514 8.794 8.280 0.000 0.000 0.489 267 F N -0.865 119.319 119.950 0.389 0.000 2.719 267 F HA 0.712 5.245 4.527 0.009 0.000 0.309 267 F C -2.398 173.563 175.800 0.268 0.000 1.138 267 F CA -1.745 56.413 58.000 0.264 0.000 0.943 267 F CB 1.042 40.120 39.000 0.129 0.000 1.304 267 F HN 0.563 8.863 8.300 0.000 0.000 0.445 268 L N 2.312 123.791 121.223 0.426 0.000 2.334 268 L HA 0.449 4.794 4.340 0.010 0.000 0.275 268 L C 0.726 177.822 176.870 0.376 0.000 1.036 268 L CA -0.922 54.097 54.840 0.298 0.000 0.807 268 L CB 1.383 43.564 42.059 0.203 0.000 1.231 268 L HN 0.688 8.918 8.230 0.000 0.000 0.438 269 N N 0.961 119.848 118.700 0.311 0.000 2.272 269 N HA -0.174 4.572 4.740 0.010 0.000 0.185 269 N C 1.392 177.004 175.510 0.170 0.000 1.014 269 N CA 0.937 54.161 53.050 0.290 0.000 0.870 269 N CB 0.039 38.670 38.487 0.241 0.000 0.975 269 N HN 0.598 8.978 8.380 0.000 0.000 0.433 270 Q N 0.179 120.057 119.800 0.130 0.000 2.365 270 Q HA 0.036 4.382 4.340 0.010 0.000 0.203 270 Q C 1.691 177.716 176.000 0.042 0.000 0.929 270 Q CA 0.013 55.857 55.803 0.068 0.000 0.948 270 Q CB -0.355 28.415 28.738 0.053 0.000 1.043 270 Q HN 0.234 8.504 8.270 0.000 0.000 0.505 271 L N 2.186 123.452 121.223 0.071 0.000 2.051 271 L HA -0.115 4.230 4.340 0.010 0.000 0.214 271 L C -0.884 175.944 176.870 -0.070 0.000 1.076 271 L CA 2.127 56.981 54.840 0.024 0.000 0.758 271 L CB -1.428 40.669 42.059 0.063 0.000 0.890 271 L HN 0.070 8.300 8.230 0.000 0.000 0.433 272 P HA -0.182 4.238 4.420 0.000 0.000 0.215 272 P C 1.600 178.806 177.300 -0.156 0.000 1.157 272 P CA 2.255 65.264 63.100 -0.152 0.000 0.874 272 P CB -0.255 31.372 31.700 -0.122 0.000 0.790 273 A N -0.916 121.844 122.820 -0.099 0.000 1.930 273 A HA -0.162 4.164 4.320 0.010 0.000 0.217 273 A C 2.210 179.736 177.584 -0.097 0.000 1.175 273 A CA 1.359 53.341 52.037 -0.092 0.000 0.627 273 A CB -1.607 17.361 19.000 -0.053 0.000 0.815 273 A HN 0.115 8.265 8.150 0.000 0.000 0.443 274 I N -0.500 120.021 120.570 -0.080 0.000 2.226 274 I HA -0.264 3.912 4.170 0.010 0.000 0.245 274 I C 2.277 178.319 176.117 -0.125 0.000 1.100 274 I CA 1.317 62.573 61.300 -0.074 0.000 1.374 274 I CB -0.326 37.654 38.000 -0.034 0.000 1.057 274 I HN 0.303 8.513 8.210 0.000 0.000 0.413 275 I N 0.681 121.131 120.570 -0.199 0.000 2.163 275 I HA -0.254 3.922 4.170 0.010 0.000 0.240 275 I C 2.791 178.730 176.117 -0.296 0.000 1.081 275 I CA 1.446 62.555 61.300 -0.319 0.000 1.353 275 I CB -0.471 37.166 38.000 -0.605 0.000 1.054 275 I HN 0.149 8.359 8.210 0.000 0.000 0.407 276 A N 0.358 123.009 122.820 -0.281 0.000 1.898 276 A HA -0.219 4.107 4.320 0.010 0.000 0.216 276 A C 1.910 179.374 177.584 -0.200 0.000 1.181 276 A CA 1.992 53.872 52.037 -0.262 0.000 0.620 276 A CB -0.593 18.261 19.000 -0.243 0.000 0.819 276 A HN 0.353 8.503 8.150 0.000 0.000 0.442 277 D N 0.111 120.423 120.400 -0.147 0.000 2.219 277 D HA -0.084 4.562 4.640 0.010 0.000 0.205 277 D C 1.277 177.526 176.300 -0.086 0.000 0.970 277 D CA 0.820 54.760 54.000 -0.100 0.000 0.851 277 D CB -0.309 40.449 40.800 -0.070 0.000 0.943 277 D HN 0.443 8.813 8.370 0.000 0.000 0.488 278 N N 0.029 118.669 118.700 -0.100 0.000 2.353 278 N HA 0.078 4.824 4.740 0.010 0.000 0.185 278 N C 1.723 177.186 175.510 -0.077 0.000 1.098 278 N CA -0.029 52.977 53.050 -0.073 0.000 0.872 278 N CB 0.707 39.156 38.487 -0.063 0.000 0.970 278 N HN 0.241 8.621 8.380 0.000 0.000 0.467 279 L N 0.098 121.247 121.223 -0.123 0.000 2.131 279 L HA 0.043 4.389 4.340 0.010 0.000 0.206 279 L C 2.514 179.298 176.870 -0.144 0.000 1.087 279 L CA 0.804 55.564 54.840 -0.134 0.000 0.767 279 L CB -0.760 41.181 42.059 -0.197 0.000 0.917 279 L HN 0.114 8.344 8.230 0.000 0.000 0.441 280 G N -0.126 108.584 108.800 -0.150 0.000 2.507 280 G HA2 -0.277 3.689 3.960 0.010 0.000 0.221 280 G HA3 -0.277 3.689 3.960 0.010 0.000 0.221 280 G C 1.859 176.858 174.900 0.165 0.000 1.119 280 G CA 0.660 45.739 45.100 -0.035 0.000 0.751 280 G HN 0.171 8.461 8.290 0.000 0.000 0.574 281 R N -0.341 120.210 120.500 0.085 0.000 2.225 281 R HA 0.161 4.507 4.340 0.010 0.000 0.194 281 R C 2.749 179.097 176.300 0.080 0.000 0.957 281 R CA 0.873 57.034 56.100 0.101 0.000 1.042 281 R CB -0.478 29.856 30.300 0.058 0.000 1.004 281 R HN 0.395 8.665 8.270 0.000 0.000 0.509 282 S N 0.870 116.597 115.700 0.045 0.000 2.399 282 S HA -0.040 4.436 4.470 0.010 0.000 0.231 282 S C 1.877 176.509 174.600 0.054 0.000 1.022 282 S CA 0.922 59.140 58.200 0.031 0.000 0.983 282 S CB 0.012 63.217 63.200 0.008 0.000 0.803 282 S HN 0.234 8.544 8.310 0.000 0.000 0.480 283 L N 0.686 121.974 121.223 0.108 0.000 2.270 283 L HA 0.134 4.480 4.340 0.010 0.000 0.210 283 L C 2.789 179.805 176.870 0.244 0.000 1.104 283 L CA 0.567 55.512 54.840 0.175 0.000 0.804 283 L CB -0.406 41.777 42.059 0.207 0.000 0.937 283 L HN 0.277 8.507 8.230 0.000 0.000 0.450 284 E N 0.822 121.180 120.200 0.264 0.000 2.021 284 E HA -0.245 4.111 4.350 0.010 0.000 0.200 284 E C 2.311 178.928 176.600 0.029 0.000 1.015 284 E CA 1.570 58.054 56.400 0.141 0.000 0.824 284 E CB -0.046 29.726 29.700 0.120 0.000 0.762 284 E HN 0.457 8.817 8.360 0.000 0.000 0.454 285 R N 0.231 120.743 120.500 0.019 0.000 2.081 285 R HA -0.086 4.260 4.340 0.010 0.000 0.235 285 R C 2.444 178.715 176.300 -0.048 0.000 1.131 285 R CA 0.984 57.072 56.100 -0.019 0.000 0.960 285 R CB -0.412 29.881 30.300 -0.013 0.000 0.856 285 R HN 0.118 8.388 8.270 0.000 0.000 0.436 286 A N 1.427 124.224 122.820 -0.040 0.000 1.884 286 A HA -0.175 4.151 4.320 0.010 0.000 0.219 286 A C 2.107 179.603 177.584 -0.147 0.000 1.197 286 A CA 1.524 53.511 52.037 -0.083 0.000 0.637 286 A CB -0.483 18.478 19.000 -0.065 0.000 0.827 286 A HN 0.223 8.373 8.150 0.000 0.000 0.450 287 L N -1.833 119.317 121.223 -0.122 0.000 2.463 287 L HA 0.133 4.479 4.340 0.010 0.000 0.219 287 L C 2.884 179.627 176.870 -0.212 0.000 1.088 287 L CA 0.487 55.209 54.840 -0.197 0.000 0.849 287 L CB -0.407 41.579 42.059 -0.121 0.000 1.012 287 L HN 0.404 8.634 8.230 0.000 0.000 0.468 288 A N 1.608 124.336 122.820 -0.154 0.000 1.884 288 A HA -0.178 4.148 4.320 0.010 0.000 0.219 288 A C -0.025 177.468 177.584 -0.151 0.000 1.197 288 A CA 1.981 53.934 52.037 -0.141 0.000 0.637 288 A CB -1.953 16.985 19.000 -0.103 0.000 0.827 288 A HN 0.255 8.405 8.150 0.000 0.000 0.450 289 P HA -0.157 4.263 4.420 0.000 0.000 0.218 289 P C 1.124 178.313 177.300 -0.184 0.000 1.146 289 P CA 1.041 64.050 63.100 -0.151 0.000 0.820 289 P CB -0.187 31.418 31.700 -0.159 0.000 0.778 290 L N -3.385 117.662 121.223 -0.295 0.000 2.418 290 L HA 0.219 4.565 4.340 0.010 0.000 0.218 290 L C 1.618 178.395 176.870 -0.154 0.000 1.125 290 L CA 0.822 55.437 54.840 -0.374 0.000 0.835 290 L CB -0.855 40.646 42.059 -0.930 0.000 0.953 290 L HN 0.115 8.345 8.230 0.000 0.000 0.454 291 G N 0.084 108.808 108.800 -0.126 0.000 2.148 291 G HA2 -0.210 3.755 3.960 0.010 0.000 0.203 291 G HA3 -0.210 3.755 3.960 0.010 0.000 0.203 291 G C 0.090 174.955 174.900 -0.059 0.000 0.993 291 G CA -0.237 44.829 45.100 -0.058 0.000 0.661 291 G HN 0.048 8.338 8.290 0.000 0.000 0.518 292 V N 1.949 121.797 119.914 -0.109 0.000 2.439 292 V HA 0.353 4.478 4.120 0.010 0.000 0.271 292 V C 1.508 177.508 176.094 -0.157 0.000 1.040 292 V CA 0.011 62.248 62.300 -0.107 0.000 1.002 292 V CB 1.117 32.864 31.823 -0.127 0.000 1.000 292 V HN 0.375 8.565 8.190 0.000 0.000 0.477 293 R N 2.291 122.704 120.500 -0.144 0.000 2.191 293 R HA 0.278 4.624 4.340 0.010 0.000 0.196 293 R C 0.137 176.271 176.300 -0.275 0.000 0.991 293 R CA 0.177 56.165 56.100 -0.186 0.000 1.075 293 R CB 0.638 30.871 30.300 -0.113 0.000 1.040 293 R HN 0.594 8.864 8.270 0.000 0.000 0.526 294 E N -0.208 119.869 120.200 -0.204 0.000 2.212 294 E HA 0.104 4.460 4.350 0.010 0.000 0.268 294 E C 0.340 176.892 176.600 -0.080 0.000 0.902 294 E CA -0.572 55.708 56.400 -0.201 0.000 0.779 294 E CB 1.007 30.675 29.700 -0.053 0.000 1.172 294 E HN 0.034 8.395 8.360 0.000 0.000 0.409 295 W N 1.441 122.824 121.300 0.137 0.000 2.342 295 W HA -0.109 4.557 4.660 0.009 0.000 0.297 295 W C 1.550 178.283 176.519 0.356 0.000 1.213 295 W CA 0.203 57.714 57.345 0.277 0.000 1.251 295 W CB -0.023 29.574 29.460 0.228 0.000 1.136 295 W HN 0.385 8.565 8.180 0.000 0.000 0.526 296 N N 0.598 119.543 118.700 0.408 0.000 2.571 296 N HA -0.104 4.642 4.740 0.010 0.000 0.189 296 N C 0.408 176.080 175.510 0.270 0.000 1.154 296 N CA 0.944 54.192 53.050 0.331 0.000 0.907 296 N CB -0.310 38.296 38.487 0.198 0.000 0.977 296 N HN 0.259 8.639 8.380 0.000 0.000 0.449 297 D N 0.381 120.917 120.400 0.226 0.000 2.347 297 D HA -0.029 4.617 4.640 0.010 0.000 0.215 297 D C 1.008 177.416 176.300 0.181 0.000 0.976 297 D CA 0.377 54.476 54.000 0.166 0.000 0.884 297 D CB 0.442 41.303 40.800 0.102 0.000 0.915 297 D HN 0.143 8.513 8.370 0.000 0.000 0.526 298 V N -1.582 118.450 119.914 0.196 0.000 3.046 298 V HA 0.657 4.783 4.120 0.010 0.000 0.316 298 V C -0.209 175.886 176.094 0.001 0.000 1.104 298 V CA -1.364 60.939 62.300 0.005 0.000 1.006 298 V CB 1.506 33.161 31.823 -0.280 0.000 1.058 298 V HN -0.040 8.150 8.190 0.000 0.000 0.440 299 F N 0.085 119.961 119.950 -0.124 0.000 2.380 299 F HA 0.904 5.436 4.527 0.009 0.000 0.321 299 F C -1.055 174.552 175.800 -0.322 0.000 1.103 299 F CA -1.307 56.668 58.000 -0.042 0.000 1.067 299 F CB 1.016 40.042 39.000 0.043 0.000 1.265 299 F HN 0.554 8.854 8.300 0.000 0.000 0.517 300 W N 1.422 122.875 121.300 0.256 0.000 2.830 300 W HA 0.607 5.273 4.660 0.010 0.000 0.335 300 W C -1.803 174.786 176.519 0.116 0.000 1.043 300 W CA -1.004 56.395 57.345 0.090 0.000 1.239 300 W CB 2.091 31.575 29.460 0.041 0.000 1.378 300 W HN 0.371 8.551 8.180 0.000 0.000 0.456 301 V N 3.924 123.970 119.914 0.220 0.000 2.250 301 V HA 0.614 4.740 4.120 0.010 0.000 0.268 301 V C 0.134 176.287 176.094 0.099 0.000 1.043 301 V CA -0.841 61.535 62.300 0.127 0.000 0.814 301 V CB 0.270 32.102 31.823 0.015 0.000 1.072 301 V HN 0.592 8.782 8.190 0.000 0.000 0.451 302 A N 2.364 125.263 122.820 0.131 0.000 2.274 302 A HA 0.587 4.913 4.320 0.010 0.000 0.309 302 A C -0.080 177.514 177.584 0.017 0.000 1.226 302 A CA -0.515 51.589 52.037 0.113 0.000 0.853 302 A CB 0.046 19.134 19.000 0.147 0.000 1.146 302 A HN 0.939 9.089 8.150 0.000 0.000 0.518 303 H N 4.701 123.671 119.070 -0.167 0.000 3.157 303 H HA 0.086 4.649 4.556 0.010 0.000 0.299 303 H C -1.527 173.680 175.328 -0.203 0.000 0.961 303 H CA -0.422 55.445 56.048 -0.302 0.000 1.428 303 H CB 0.824 30.206 29.762 -0.634 0.000 1.459 303 H HN 0.377 8.657 8.280 0.000 0.000 0.566 304 P HA -0.006 4.414 4.420 0.000 0.000 0.218 304 P C 1.171 178.185 177.300 -0.476 0.000 1.152 304 P CA 1.740 64.579 63.100 -0.436 0.000 0.826 304 P CB 0.231 31.736 31.700 -0.325 0.000 0.790 305 G N 1.584 109.939 108.800 -0.742 0.000 5.452 305 G HA2 -0.268 3.697 3.960 0.010 0.000 0.310 305 G HA3 -0.268 3.697 3.960 0.010 0.000 0.310 305 G C 0.151 174.826 174.900 -0.376 0.000 1.392 305 G CA 0.632 45.596 45.100 -0.226 0.000 0.942 305 G HN 0.754 9.044 8.290 0.000 0.000 0.776 306 N N -2.154 116.214 118.700 -0.553 0.000 3.116 306 N HA 0.138 4.884 4.740 0.010 0.000 0.244 306 N C 0.694 175.791 175.510 -0.687 0.000 1.485 306 N CA -0.133 52.421 53.050 -0.826 0.000 0.884 306 N CB 0.433 38.700 38.487 -0.366 0.000 1.415 306 N HN 0.404 8.784 8.380 0.000 0.000 0.524 307 W N 0.755 121.659 121.300 -0.660 0.000 2.335 307 W HA -0.137 4.529 4.660 0.010 0.000 0.311 307 W C 1.948 178.328 176.519 -0.231 0.000 1.213 307 W CA 2.587 59.736 57.345 -0.327 0.000 1.274 307 W CB -0.364 29.056 29.460 -0.068 0.000 1.148 307 W HN 0.774 8.954 8.180 0.000 0.000 0.498 308 A N 0.496 123.304 122.820 -0.020 0.000 1.940 308 A HA -0.205 4.120 4.320 0.010 0.000 0.219 308 A C 1.968 179.438 177.584 -0.191 0.000 1.176 308 A CA 1.892 53.882 52.037 -0.078 0.000 0.631 308 A CB -1.006 17.971 19.000 -0.038 0.000 0.814 308 A HN 0.345 8.495 8.150 0.000 0.000 0.446 309 I N -0.464 119.962 120.570 -0.239 0.000 2.252 309 I HA -0.231 3.945 4.170 0.010 0.000 0.245 309 I C 2.263 178.196 176.117 -0.306 0.000 1.102 309 I CA 1.178 62.316 61.300 -0.270 0.000 1.385 309 I CB -0.306 37.548 38.000 -0.244 0.000 1.064 309 I HN 0.303 8.513 8.210 0.000 0.000 0.414 310 I N 0.678 121.031 120.570 -0.361 0.000 2.163 310 I HA -0.325 3.850 4.170 0.010 0.000 0.243 310 I C 2.102 177.977 176.117 -0.403 0.000 1.085 310 I CA 1.433 62.493 61.300 -0.400 0.000 1.347 310 I CB -0.583 37.095 38.000 -0.536 0.000 1.044 310 I HN 0.227 8.437 8.210 0.000 0.000 0.408 311 D N 1.094 121.237 120.400 -0.428 0.000 2.123 311 D HA -0.181 4.465 4.640 0.010 0.000 0.196 311 D C 2.242 178.395 176.300 -0.245 0.000 0.992 311 D CA 1.749 55.556 54.000 -0.322 0.000 0.833 311 D CB -0.222 40.436 40.800 -0.237 0.000 0.954 311 D HN 0.395 8.765 8.370 0.000 0.000 0.455 312 A N 0.528 123.208 122.820 -0.234 0.000 1.898 312 A HA -0.093 4.233 4.320 0.010 0.000 0.216 312 A C 2.404 179.842 177.584 -0.244 0.000 1.181 312 A CA 0.771 52.685 52.037 -0.205 0.000 0.620 312 A CB -0.662 18.224 19.000 -0.191 0.000 0.819 312 A HN 0.184 8.334 8.150 0.000 0.000 0.442 313 I N -0.441 119.951 120.570 -0.295 0.000 2.163 313 I HA -0.289 3.887 4.170 0.010 0.000 0.243 313 I C 2.586 178.482 176.117 -0.368 0.000 1.085 313 I CA 1.940 63.033 61.300 -0.345 0.000 1.347 313 I CB -0.369 37.418 38.000 -0.356 0.000 1.044 313 I HN 0.570 8.780 8.210 0.000 0.000 0.408 314 E N 1.384 121.382 120.200 -0.337 0.000 2.051 314 E HA -0.255 4.101 4.350 0.010 0.000 0.192 314 E C 2.284 178.742 176.600 -0.238 0.000 0.991 314 E CA 1.466 57.676 56.400 -0.316 0.000 0.799 314 E CB -0.080 29.451 29.700 -0.282 0.000 0.748 314 E HN 0.460 8.820 8.360 0.000 0.000 0.449 315 A N 0.967 123.670 122.820 -0.195 0.000 1.902 315 A HA -0.217 4.109 4.320 0.010 0.000 0.217 315 A C 2.128 179.637 177.584 -0.125 0.000 1.181 315 A CA 1.988 53.943 52.037 -0.136 0.000 0.623 315 A CB -0.464 18.469 19.000 -0.112 0.000 0.818 315 A HN 0.166 8.316 8.150 0.000 0.000 0.443 316 K N -0.166 120.135 120.400 -0.164 0.000 2.062 316 K HA 0.108 4.434 4.320 0.010 0.000 0.205 316 K C 1.484 177.998 176.600 -0.142 0.000 1.051 316 K CA 1.217 57.417 56.287 -0.144 0.000 0.941 316 K CB -0.350 32.041 32.500 -0.182 0.000 0.719 316 K HN 0.440 8.690 8.250 0.000 0.000 0.440 317 L N 0.461 121.531 121.223 -0.256 0.000 2.592 317 L HA 0.146 4.492 4.340 0.010 0.000 0.227 317 L C 0.020 176.871 176.870 -0.033 0.000 1.127 317 L CA 0.147 54.801 54.840 -0.309 0.000 0.884 317 L CB -0.198 41.421 42.059 -0.734 0.000 1.065 317 L HN 0.297 8.527 8.230 0.000 0.000 0.457 318 Q N 0.643 120.404 119.800 -0.065 0.000 2.468 318 Q HA -0.180 4.166 4.340 0.010 0.000 0.289 318 Q C -0.451 175.536 176.000 -0.022 0.000 1.299 318 Q CA 0.306 56.101 55.803 -0.013 0.000 0.838 318 Q CB -1.700 27.074 28.738 0.060 0.000 1.195 318 Q HN 0.469 8.739 8.270 0.000 0.000 0.456 319 L N 1.001 122.149 121.223 -0.126 0.000 2.380 319 L HA 0.235 4.581 4.340 0.010 0.000 0.273 319 L C 1.207 178.023 176.870 -0.089 0.000 1.138 319 L CA -0.158 54.597 54.840 -0.141 0.000 0.832 319 L CB 0.732 42.579 42.059 -0.354 0.000 1.124 319 L HN 0.213 8.443 8.230 0.000 0.000 0.454 320 S N 2.349 118.030 115.700 -0.031 0.000 2.576 320 S HA 0.146 4.622 4.470 0.010 0.000 0.272 320 S C -1.849 172.729 174.600 -0.037 0.000 1.352 320 S CA -1.050 57.140 58.200 -0.017 0.000 1.021 320 S CB 0.608 63.820 63.200 0.020 0.000 0.887 320 S HN 0.452 8.762 8.310 0.000 0.000 0.542 321 P HA -0.083 4.337 4.420 0.000 0.000 0.225 321 P C 0.935 178.225 177.300 -0.017 0.000 1.148 321 P CA 1.137 64.215 63.100 -0.037 0.000 0.779 321 P CB -0.124 31.568 31.700 -0.013 0.000 0.780 322 D N -0.679 119.729 120.400 0.012 0.000 2.224 322 D HA -0.153 4.493 4.640 0.010 0.000 0.205 322 D C 1.460 177.797 176.300 0.062 0.000 0.965 322 D CA 1.140 55.164 54.000 0.041 0.000 0.852 322 D CB -0.524 40.310 40.800 0.056 0.000 0.947 322 D HN -0.010 8.360 8.370 0.000 0.000 0.494 323 K N 0.395 120.823 120.400 0.047 0.000 2.063 323 K HA 0.012 4.338 4.320 0.010 0.000 0.208 323 K C 1.955 178.605 176.600 0.082 0.000 1.048 323 K CA 0.759 57.104 56.287 0.096 0.000 0.928 323 K CB -0.292 32.166 32.500 -0.069 0.000 0.713 323 K HN 0.357 8.607 8.250 0.000 0.000 0.442 324 L N 1.110 122.313 121.223 -0.033 0.000 2.857 324 L HA 0.120 4.466 4.340 0.010 0.000 0.249 324 L C 1.719 178.577 176.870 -0.020 0.000 1.172 324 L CA -0.064 54.754 54.840 -0.036 0.000 0.980 324 L CB 0.075 42.041 42.059 -0.155 0.000 1.299 324 L HN 0.031 8.261 8.230 0.000 0.000 0.535 325 S N -0.776 114.934 115.700 0.016 0.000 2.400 325 S HA -0.222 4.254 4.470 0.010 0.000 0.232 325 S C 2.115 176.788 174.600 0.121 0.000 1.025 325 S CA 1.802 60.036 58.200 0.056 0.000 0.993 325 S CB -0.874 62.364 63.200 0.063 0.000 0.808 325 S HN 0.590 8.900 8.310 0.000 0.000 0.478 326 T N 0.358 114.984 114.554 0.120 0.000 2.833 326 T HA 0.119 4.475 4.350 0.010 0.000 0.269 326 T C 1.961 176.777 174.700 0.195 0.000 1.054 326 T CA 1.108 63.306 62.100 0.162 0.000 1.135 326 T CB -0.824 68.128 68.868 0.140 0.000 0.869 326 T HN 0.578 8.818 8.240 0.000 0.000 0.466 327 A N 1.981 124.875 122.820 0.124 0.000 1.897 327 A HA 0.051 4.377 4.320 0.010 0.000 0.215 327 A C 2.611 180.278 177.584 0.138 0.000 1.181 327 A CA 1.086 53.178 52.037 0.093 0.000 0.620 327 A CB -0.570 18.428 19.000 -0.003 0.000 0.821 327 A HN 0.501 8.651 8.150 0.000 0.000 0.443 328 R N -1.308 119.254 120.500 0.102 0.000 2.083 328 R HA -0.162 4.184 4.340 0.010 0.000 0.237 328 R C 2.347 178.867 176.300 0.367 0.000 1.137 328 R CA 1.496 57.718 56.100 0.204 0.000 0.951 328 R CB -0.698 29.644 30.300 0.069 0.000 0.851 328 R HN 0.784 9.054 8.270 0.000 0.000 0.434 329 H N 0.666 119.870 119.070 0.224 0.000 2.289 329 H HA -0.120 4.442 4.556 0.010 0.000 0.296 329 H C 1.957 177.442 175.328 0.261 0.000 1.091 329 H CA 2.062 58.241 56.048 0.218 0.000 1.274 329 H CB 0.085 29.956 29.762 0.181 0.000 1.364 329 H HN -0.002 8.278 8.280 0.000 0.000 0.490 330 V N 0.905 121.000 119.914 0.302 0.000 2.295 330 V HA -0.235 3.890 4.120 0.010 0.000 0.246 330 V C 2.511 178.779 176.094 0.289 0.000 1.049 330 V CA 1.879 64.388 62.300 0.348 0.000 1.024 330 V CB -0.979 31.038 31.823 0.323 0.000 0.648 330 V HN 0.319 8.509 8.190 0.000 0.000 0.447 331 F N 1.188 121.203 119.950 0.108 0.000 2.134 331 F HA -0.204 4.329 4.527 0.010 0.000 0.299 331 F C 2.456 178.287 175.800 0.052 0.000 1.097 331 F CA 2.268 60.309 58.000 0.068 0.000 1.264 331 F CB -0.640 38.405 39.000 0.075 0.000 1.001 331 F HN 0.084 8.384 8.300 0.000 0.000 0.479 332 T N 0.039 114.628 114.554 0.059 0.000 2.746 332 T HA -0.152 4.204 4.350 0.010 0.000 0.267 332 T C 1.637 176.190 174.700 -0.245 0.000 1.039 332 T CA 1.670 63.699 62.100 -0.120 0.000 1.142 332 T CB -0.165 68.726 68.868 0.038 0.000 0.866 332 T HN 0.267 8.507 8.240 0.000 0.000 0.444 333 E N -0.621 119.431 120.200 -0.247 0.000 2.474 333 E HA 0.091 4.446 4.350 0.010 0.000 0.194 333 E C 0.454 176.754 176.600 -0.500 0.000 1.041 333 E CA 0.553 56.708 56.400 -0.410 0.000 0.874 333 E CB 0.356 29.703 29.700 -0.588 0.000 0.914 333 E HN 0.647 9.007 8.360 0.000 0.000 0.498 334 Y N -0.932 119.303 120.300 -0.109 0.000 2.491 334 Y HA 0.286 4.842 4.550 0.011 0.000 0.276 334 Y C 1.144 176.945 175.900 -0.165 0.000 1.041 334 Y CA 0.206 58.273 58.100 -0.054 0.000 1.191 334 Y CB 1.036 39.404 38.460 -0.154 0.000 1.365 334 Y HN 0.052 8.332 8.280 0.000 0.000 0.566 335 G N 1.659 110.345 108.800 -0.190 0.000 2.741 335 G HA2 -0.300 3.666 3.960 0.010 0.000 0.222 335 G HA3 -0.300 3.666 3.960 0.010 0.000 0.222 335 G C -0.629 174.243 174.900 -0.046 0.000 1.364 335 G CA -0.358 44.527 45.100 -0.359 0.000 0.866 335 G HN 0.258 8.548 8.290 0.000 0.000 0.555 336 N N 0.437 119.201 118.700 0.106 0.000 2.401 336 N HA 0.366 5.112 4.740 0.010 0.000 0.255 336 N C 1.077 176.737 175.510 0.251 0.000 1.110 336 N CA -0.098 53.119 53.050 0.279 0.000 0.949 336 N CB 0.305 38.982 38.487 0.317 0.000 1.110 336 N HN 0.481 8.861 8.380 0.000 0.000 0.490 337 M N 2.654 122.329 119.600 0.125 0.000 2.549 337 M HA 0.042 4.528 4.480 0.010 0.000 0.273 337 M C 0.345 176.678 176.300 0.055 0.000 1.213 337 M CA -0.212 55.114 55.300 0.044 0.000 0.976 337 M CB -0.019 32.496 32.600 -0.141 0.000 1.457 337 M HN 0.534 8.824 8.290 0.000 0.000 0.485 338 Q N -0.604 119.270 119.800 0.124 0.000 1.802 338 Q HA -0.319 4.027 4.340 0.010 0.000 0.387 338 Q C 1.494 177.467 176.000 -0.045 0.000 0.822 338 Q CA 2.437 58.241 55.803 0.002 0.000 0.840 338 Q CB -1.610 27.013 28.738 -0.191 0.000 3.553 338 Q HN 0.588 8.858 8.270 0.000 0.000 0.735 339 S N -0.310 115.323 115.700 -0.112 0.000 2.442 339 S HA 0.021 4.497 4.470 0.010 0.000 0.236 339 S C 1.738 176.393 174.600 0.093 0.000 1.007 339 S CA 1.277 59.422 58.200 -0.092 0.000 0.965 339 S CB -0.322 62.810 63.200 -0.112 0.000 0.773 339 S HN 0.702 9.012 8.310 0.000 0.000 0.504 340 A N 1.715 124.619 122.820 0.139 0.000 2.016 340 A HA 0.091 4.417 4.320 0.010 0.000 0.217 340 A C 2.317 180.123 177.584 0.369 0.000 1.162 340 A CA 1.449 53.666 52.037 0.300 0.000 0.662 340 A CB -1.409 17.734 19.000 0.239 0.000 0.812 340 A HN 0.583 8.733 8.150 0.000 0.000 0.450 341 T N -0.276 114.388 114.554 0.183 0.000 2.665 341 T HA -0.212 4.144 4.350 0.010 0.000 0.268 341 T C 1.787 176.609 174.700 0.203 0.000 1.035 341 T CA 1.611 63.785 62.100 0.124 0.000 1.151 341 T CB -0.834 68.116 68.868 0.137 0.000 0.862 341 T HN 0.193 8.433 8.240 0.000 0.000 0.438 342 V N 0.397 120.388 119.914 0.128 0.000 2.453 342 V HA -0.221 3.904 4.120 0.010 0.000 0.252 342 V C 2.040 178.058 176.094 -0.126 0.000 1.068 342 V CA 1.618 63.888 62.300 -0.050 0.000 1.070 342 V CB -0.703 30.998 31.823 -0.204 0.000 0.664 342 V HN 0.581 8.771 8.190 0.000 0.000 0.461 343 Y N -1.154 119.232 120.300 0.143 0.000 2.242 343 Y HA -0.100 4.455 4.550 0.009 0.000 0.291 343 Y C 2.108 178.038 175.900 0.050 0.000 1.137 343 Y CA 1.908 60.054 58.100 0.077 0.000 1.181 343 Y CB -0.637 37.841 38.460 0.030 0.000 0.989 343 Y HN 0.293 8.573 8.280 0.000 0.000 0.527 344 F N -0.897 119.094 119.950 0.068 0.000 2.102 344 F HA -0.217 4.316 4.527 0.009 0.000 0.298 344 F C 2.342 178.164 175.800 0.037 0.000 1.105 344 F CA 1.224 59.214 58.000 -0.017 0.000 1.239 344 F CB -1.187 37.714 39.000 -0.165 0.000 0.991 344 F HN -0.217 8.083 8.300 0.000 0.000 0.474 345 V N 0.004 120.060 119.914 0.238 0.000 2.332 345 V HA -0.377 3.749 4.120 0.010 0.000 0.248 345 V C 2.435 178.601 176.094 0.121 0.000 1.055 345 V CA 2.077 64.476 62.300 0.167 0.000 1.038 345 V CB -0.670 31.222 31.823 0.115 0.000 0.651 345 V HN 0.392 8.582 8.190 0.000 0.000 0.450 346 M N 0.085 119.730 119.600 0.075 0.000 2.086 346 M HA -0.223 4.263 4.480 0.010 0.000 0.261 346 M C 2.051 178.434 176.300 0.140 0.000 1.067 346 M CA 2.539 57.884 55.300 0.075 0.000 1.116 346 M CB -0.339 32.276 32.600 0.025 0.000 1.348 346 M HN 0.407 8.697 8.290 0.000 0.000 0.407 347 D N -0.122 120.337 120.400 0.099 0.000 2.097 347 D HA -0.226 4.419 4.640 0.010 0.000 0.195 347 D C 1.806 178.146 176.300 0.067 0.000 0.989 347 D CA 1.598 55.633 54.000 0.059 0.000 0.827 347 D CB -0.076 40.705 40.800 -0.031 0.000 0.966 347 D HN 0.364 8.734 8.370 0.000 0.000 0.456 348 E N -0.439 119.820 120.200 0.099 0.000 2.118 348 E HA -0.144 4.212 4.350 0.010 0.000 0.195 348 E C 1.985 178.627 176.600 0.070 0.000 0.992 348 E CA 0.650 57.113 56.400 0.105 0.000 0.804 348 E CB -0.497 29.314 29.700 0.185 0.000 0.741 348 E HN 0.328 8.688 8.360 0.000 0.000 0.458 349 L N 0.937 122.214 121.223 0.091 0.000 1.994 349 L HA -0.136 4.209 4.340 0.010 0.000 0.208 349 L C 2.240 179.132 176.870 0.036 0.000 1.071 349 L CA 2.367 57.251 54.840 0.072 0.000 0.745 349 L CB -0.654 41.466 42.059 0.101 0.000 0.892 349 L HN 0.153 8.383 8.230 0.000 0.000 0.431 350 R N -0.517 120.018 120.500 0.059 0.000 2.115 350 R HA -0.093 4.253 4.340 0.010 0.000 0.230 350 R C 2.027 178.300 176.300 -0.045 0.000 1.111 350 R CA 1.487 57.567 56.100 -0.032 0.000 0.976 350 R CB -0.870 29.379 30.300 -0.085 0.000 0.870 350 R HN 0.286 8.556 8.270 0.000 0.000 0.445 351 K N 0.504 120.897 120.400 -0.012 0.000 2.025 351 K HA 0.030 4.356 4.320 0.010 0.000 0.207 351 K C 2.307 178.902 176.600 -0.009 0.000 1.049 351 K CA 1.498 57.778 56.287 -0.011 0.000 0.933 351 K CB -0.087 32.416 32.500 0.006 0.000 0.714 351 K HN 0.144 8.394 8.250 0.000 0.000 0.438 352 R N 0.395 120.890 120.500 -0.009 0.000 2.073 352 R HA -0.081 4.265 4.340 0.010 0.000 0.234 352 R C 2.458 178.753 176.300 -0.008 0.000 1.134 352 R CA 1.607 57.699 56.100 -0.012 0.000 0.952 352 R CB -0.264 30.026 30.300 -0.016 0.000 0.850 352 R HN 0.085 8.355 8.270 0.000 0.000 0.433 353 S N 0.782 116.469 115.700 -0.021 0.000 2.374 353 S HA -0.229 4.246 4.470 0.010 0.000 0.227 353 S C 2.068 176.682 174.600 0.023 0.000 1.037 353 S CA 1.469 59.653 58.200 -0.026 0.000 1.024 353 S CB -0.274 62.877 63.200 -0.081 0.000 0.861 353 S HN 0.511 8.821 8.310 0.000 0.000 0.456 354 A N 0.930 123.760 122.820 0.017 0.000 1.873 354 A HA -0.020 4.305 4.320 0.010 0.000 0.215 354 A C 2.378 180.040 177.584 0.129 0.000 1.186 354 A CA 1.498 53.581 52.037 0.077 0.000 0.616 354 A CB -0.867 18.123 19.000 -0.017 0.000 0.823 354 A HN 0.346 8.496 8.150 0.000 0.000 0.442 355 V N 0.127 120.073 119.914 0.052 0.000 2.358 355 V HA -0.199 3.927 4.120 0.010 0.000 0.246 355 V C 2.031 178.137 176.094 0.019 0.000 1.047 355 V CA 2.103 64.425 62.300 0.037 0.000 1.035 355 V CB -0.711 31.122 31.823 0.016 0.000 0.658 355 V HN 0.633 8.823 8.190 0.000 0.000 0.452 356 E N -0.234 119.969 120.200 0.005 0.000 2.494 356 E HA 0.212 4.568 4.350 0.010 0.000 0.193 356 E C 1.437 177.998 176.600 -0.065 0.000 1.074 356 E CA 0.484 56.871 56.400 -0.021 0.000 0.867 356 E CB 0.016 29.707 29.700 -0.014 0.000 0.924 356 E HN 0.640 9.000 8.360 0.000 0.000 0.502 357 G N 2.205 110.948 108.800 -0.095 0.000 2.176 357 G HA2 -0.283 3.683 3.960 0.010 0.000 0.252 357 G HA3 -0.283 3.683 3.960 0.010 0.000 0.252 357 G C 0.116 174.819 174.900 -0.328 0.000 1.024 357 G CA -0.133 44.744 45.100 -0.371 0.000 0.755 357 G HN 0.037 8.327 8.290 0.000 0.000 0.507 358 R N 0.258 120.712 120.500 -0.075 0.000 2.615 358 R HA 0.443 4.789 4.340 0.010 0.000 0.270 358 R C 1.877 178.198 176.300 0.035 0.000 1.081 358 R CA 0.292 56.373 56.100 -0.031 0.000 1.154 358 R CB 0.708 30.994 30.300 -0.024 0.000 1.063 358 R HN 0.533 8.803 8.270 0.000 0.000 0.519 359 S N -1.001 114.687 115.700 -0.020 0.000 2.489 359 S HA -0.069 4.407 4.470 0.010 0.000 0.228 359 S C 0.995 175.542 174.600 -0.089 0.000 0.995 359 S CA 0.643 58.824 58.200 -0.032 0.000 0.934 359 S CB -0.180 62.995 63.200 -0.042 0.000 0.771 359 S HN 0.773 9.083 8.310 0.000 0.000 0.522 360 T N -1.922 112.569 114.554 -0.104 0.000 2.883 360 T HA 0.478 4.834 4.350 0.010 0.000 0.296 360 T C 0.870 175.439 174.700 -0.219 0.000 1.117 360 T CA -0.053 61.942 62.100 -0.174 0.000 1.006 360 T CB 1.245 70.016 68.868 -0.161 0.000 1.191 360 T HN 0.122 8.362 8.240 0.000 0.000 0.508 361 T N -1.803 112.567 114.554 -0.307 0.000 3.025 361 T HA 0.132 4.488 4.350 0.010 0.000 0.270 361 T C 1.395 175.863 174.700 -0.387 0.000 1.126 361 T CA 0.874 62.738 62.100 -0.393 0.000 1.105 361 T CB -0.666 67.778 68.868 -0.707 0.000 0.884 361 T HN 1.080 9.320 8.240 0.000 0.000 0.522 362 G N 0.611 109.092 108.800 -0.532 0.000 4.486 362 G HA2 0.417 4.383 3.960 0.010 0.000 0.306 362 G HA3 0.417 4.383 3.960 0.010 0.000 0.306 362 G C -0.184 174.418 174.900 -0.496 0.000 1.331 362 G CA -0.293 44.102 45.100 -1.174 0.000 1.113 362 G HN 0.299 8.589 8.290 0.000 0.000 0.594 363 D N -0.408 119.848 120.400 -0.240 0.000 2.837 363 D HA -0.168 4.478 4.640 0.010 0.000 0.230 363 D C 1.717 177.999 176.300 -0.029 0.000 1.152 363 D CA 2.112 56.069 54.000 -0.072 0.000 0.736 363 D CB -1.135 39.674 40.800 0.015 0.000 1.084 363 D HN 1.241 9.611 8.370 0.000 0.000 0.429 364 G N -2.026 106.738 108.800 -0.060 0.000 2.179 364 G HA2 -0.302 3.664 3.960 0.010 0.000 0.260 364 G HA3 -0.302 3.664 3.960 0.010 0.000 0.260 364 G C 0.381 175.289 174.900 0.013 0.000 0.977 364 G CA 0.431 45.516 45.100 -0.025 0.000 0.641 364 G HN 0.564 8.854 8.290 0.000 0.000 0.533 365 L N -0.037 121.223 121.223 0.063 0.000 2.375 365 L HA 0.540 4.886 4.340 0.010 0.000 0.268 365 L C 1.670 178.633 176.870 0.154 0.000 1.058 365 L CA -0.199 54.733 54.840 0.154 0.000 0.803 365 L CB 1.389 43.619 42.059 0.285 0.000 1.212 365 L HN 0.226 8.456 8.230 0.000 0.000 0.451 366 Q N 1.212 121.053 119.800 0.068 0.000 2.096 366 Q HA -0.015 4.331 4.340 0.010 0.000 0.197 366 Q C -0.451 175.410 176.000 -0.231 0.000 0.964 366 Q CA 0.992 56.696 55.803 -0.165 0.000 0.838 366 Q CB 0.228 28.760 28.738 -0.344 0.000 0.906 366 Q HN 0.582 8.852 8.270 0.000 0.000 0.444 367 W N -0.652 120.715 121.300 0.112 0.000 2.627 367 W HA 0.675 5.340 4.660 0.009 0.000 0.339 367 W C -0.011 176.137 176.519 -0.619 0.000 1.058 367 W CA -0.561 56.709 57.345 -0.126 0.000 1.223 367 W CB 1.845 31.218 29.460 -0.144 0.000 1.389 367 W HN 0.130 8.310 8.180 0.000 0.000 0.541 368 G N 0.135 108.405 108.800 -0.884 0.000 2.695 368 G HA2 0.580 4.545 3.960 0.010 0.000 0.290 368 G HA3 0.580 4.545 3.960 0.010 0.000 0.290 368 G C -2.194 172.133 174.900 -0.955 0.000 1.410 368 G CA -0.865 43.135 45.100 -1.834 0.000 0.844 368 G HN 0.615 8.905 8.290 0.000 0.000 0.478 369 V N 0.833 120.200 119.914 -0.912 0.000 2.525 369 V HA 0.764 4.890 4.120 0.010 0.000 0.299 369 V C -0.995 174.888 176.094 -0.351 0.000 1.034 369 V CA -0.880 61.075 62.300 -0.574 0.000 0.863 369 V CB 1.142 32.566 31.823 -0.664 0.000 0.999 369 V HN 0.878 9.068 8.190 0.000 0.000 0.423 370 L N 6.756 127.844 121.223 -0.225 0.000 2.307 370 L HA 0.721 5.067 4.340 0.010 0.000 0.282 370 L C -1.479 175.348 176.870 -0.072 0.000 1.051 370 L CA -0.550 54.210 54.840 -0.133 0.000 0.804 370 L CB 1.494 43.452 42.059 -0.169 0.000 1.197 370 L HN 0.696 8.926 8.230 0.000 0.000 0.431 371 L N 4.582 125.798 121.223 -0.012 0.000 2.409 371 L HA 0.788 5.134 4.340 0.010 0.000 0.272 371 L C -0.000 176.848 176.870 -0.037 0.000 0.980 371 L CA -0.165 54.706 54.840 0.052 0.000 0.826 371 L CB 1.688 43.872 42.059 0.207 0.000 1.268 371 L HN 0.672 8.902 8.230 0.000 0.000 0.407 372 G N 2.553 111.315 108.800 -0.064 0.000 2.481 372 G HA2 0.779 4.745 3.960 0.010 0.000 0.315 372 G HA3 0.779 4.745 3.960 0.010 0.000 0.315 372 G C -1.598 173.230 174.900 -0.121 0.000 1.231 372 G CA -0.417 44.531 45.100 -0.253 0.000 0.968 372 G HN 0.392 8.682 8.290 0.000 0.000 0.482 373 F N -0.873 119.081 119.950 0.006 0.000 2.641 373 F HA 0.895 5.428 4.527 0.010 0.000 0.308 373 F C 0.186 175.977 175.800 -0.015 0.000 1.105 373 F CA -0.884 57.106 58.000 -0.017 0.000 0.964 373 F CB 1.696 40.688 39.000 -0.014 0.000 1.294 373 F HN 0.954 9.254 8.300 0.000 0.000 0.442 374 G N -0.079 108.792 108.800 0.118 0.000 2.561 374 G HA2 0.639 4.605 3.960 0.010 0.000 0.310 374 G HA3 0.639 4.605 3.960 0.010 0.000 0.310 374 G C -3.478 171.412 174.900 -0.017 0.000 1.292 374 G CA -1.634 43.537 45.100 0.119 0.000 0.811 374 G HN 0.401 8.691 8.290 0.000 0.000 0.482 375 P HA 0.268 4.688 4.420 0.000 0.000 0.263 375 P C 0.734 178.015 177.300 -0.032 0.000 1.175 375 P CA 1.655 64.761 63.100 0.010 0.000 0.761 375 P CB 1.127 32.852 31.700 0.041 0.000 0.794 376 G N 2.256 111.060 108.800 0.006 0.000 4.399 376 G HA2 -0.111 3.855 3.960 0.010 0.000 0.158 376 G HA3 -0.111 3.855 3.960 0.010 0.000 0.158 376 G C -0.513 174.402 174.900 0.024 0.000 1.911 376 G CA -0.380 44.716 45.100 -0.007 0.000 0.926 376 G HN 0.571 8.861 8.290 0.000 0.000 0.292 377 L N 3.301 124.531 121.223 0.013 0.000 2.499 377 L HA 0.620 4.966 4.340 0.010 0.000 0.273 377 L C 0.000 176.825 176.870 -0.076 0.000 1.195 377 L CA 0.358 55.186 54.840 -0.020 0.000 0.882 377 L CB 1.062 43.116 42.059 -0.009 0.000 1.133 377 L HN 0.251 8.481 8.230 0.000 0.000 0.483 378 S N 6.232 121.828 115.700 -0.174 0.000 2.451 378 S HA 0.631 5.106 4.470 0.010 0.000 0.301 378 S C -0.356 174.136 174.600 -0.180 0.000 1.116 378 S CA -0.468 57.565 58.200 -0.279 0.000 1.093 378 S CB 1.016 63.802 63.200 -0.691 0.000 1.017 378 S HN 0.479 8.789 8.310 0.000 0.000 0.482 379 I N 2.866 123.388 120.570 -0.080 0.000 2.411 379 I HA 0.323 4.498 4.170 0.010 0.000 0.284 379 I C -0.323 175.806 176.117 0.019 0.000 1.012 379 I CA -0.527 60.784 61.300 0.017 0.000 1.119 379 I CB 1.352 39.366 38.000 0.024 0.000 1.261 379 I HN 0.416 8.626 8.210 0.000 0.000 0.448 380 E N 5.067 125.297 120.200 0.049 0.000 2.156 380 E HA 0.431 4.787 4.350 0.010 0.000 0.279 380 E C -0.747 175.865 176.600 0.019 0.000 0.965 380 E CA -0.345 56.076 56.400 0.035 0.000 0.789 380 E CB 2.296 32.024 29.700 0.047 0.000 1.098 380 E HN 0.417 8.777 8.360 0.000 0.000 0.397 381 T N 1.718 116.271 114.554 -0.002 0.000 2.812 381 T HA 0.423 4.779 4.350 0.010 0.000 0.282 381 T C -0.468 174.204 174.700 -0.047 0.000 0.990 381 T CA -0.531 61.555 62.100 -0.024 0.000 0.960 381 T CB 1.408 70.260 68.868 -0.026 0.000 0.948 381 T HN 0.082 8.322 8.240 0.000 0.000 0.438 382 V N 3.909 123.778 119.914 -0.075 0.000 2.482 382 V HA 0.378 4.504 4.120 0.010 0.000 0.295 382 V C -0.182 175.842 176.094 -0.118 0.000 1.026 382 V CA -0.816 61.435 62.300 -0.081 0.000 0.856 382 V CB 1.922 33.699 31.823 -0.077 0.000 1.001 382 V HN 0.736 8.926 8.190 0.000 0.000 0.424 383 V N 6.924 126.780 119.914 -0.097 0.000 2.461 383 V HA 0.443 4.569 4.120 0.010 0.000 0.275 383 V C -0.035 176.052 176.094 -0.012 0.000 1.047 383 V CA -0.203 62.032 62.300 -0.107 0.000 0.955 383 V CB 1.277 33.029 31.823 -0.118 0.000 0.988 383 V HN 0.612 8.802 8.190 0.000 0.000 0.471 384 L N 5.125 126.329 121.223 -0.032 0.000 2.346 384 L HA 0.659 5.004 4.340 0.010 0.000 0.274 384 L C -0.018 176.996 176.870 0.240 0.000 1.007 384 L CA -0.682 54.208 54.840 0.085 0.000 0.818 384 L CB 2.020 44.065 42.059 -0.023 0.000 1.284 384 L HN 0.548 8.778 8.230 0.000 0.000 0.424 385 R N 1.256 121.894 120.500 0.231 0.000 2.346 385 R HA 0.441 4.787 4.340 0.010 0.000 0.311 385 R C -0.014 176.409 176.300 0.206 0.000 0.983 385 R CA -0.332 55.752 56.100 -0.028 0.000 0.880 385 R CB 1.452 31.555 30.300 -0.330 0.000 1.100 385 R HN 0.810 9.080 8.270 0.000 0.000 0.453 386 S N 4.188 120.018 115.700 0.217 0.000 2.624 386 S HA 0.379 4.855 4.470 0.010 0.000 0.263 386 S C 0.123 174.665 174.600 -0.097 0.000 1.287 386 S CA -0.696 57.582 58.200 0.131 0.000 0.990 386 S CB 0.955 64.153 63.200 -0.002 0.000 0.950 386 S HN 0.469 8.779 8.310 0.000 0.000 0.561 387 M N 1.306 120.778 119.600 -0.214 0.000 2.508 387 M HA 0.521 5.007 4.480 0.010 0.000 0.327 387 M C -2.753 173.397 176.300 -0.250 0.000 1.160 387 M CA -2.588 52.581 55.300 -0.218 0.000 0.980 387 M CB 0.949 33.407 32.600 -0.236 0.000 1.693 387 M HN 0.438 8.728 8.290 0.000 0.000 0.452 388 P HA 0.283 4.703 4.420 0.000 0.000 0.271 388 P C -0.920 176.089 177.300 -0.484 0.000 1.216 388 P CA -0.106 62.793 63.100 -0.336 0.000 0.776 388 P CB 0.388 31.886 31.700 -0.338 0.000 0.881 389 L N 4.173 125.126 121.223 -0.450 0.000 2.296 389 L HA 0.340 4.686 4.340 0.010 0.000 0.286 389 L C 0.382 176.934 176.870 -0.531 0.000 1.023 389 L CA -0.621 53.925 54.840 -0.491 0.000 0.812 389 L CB 0.814 42.650 42.059 -0.371 0.000 1.223 389 L HN 0.398 8.628 8.230 0.000 0.000 0.421 390 H N 3.521 122.435 119.070 -0.259 0.000 2.641 390 H HA 0.232 4.794 4.556 0.010 0.000 0.295 390 H C 0.344 175.486 175.328 -0.310 0.000 1.070 390 H CA -0.373 55.544 56.048 -0.219 0.000 1.257 390 H CB 0.896 30.581 29.762 -0.128 0.000 1.393 390 H HN 0.593 8.873 8.280 0.000 0.000 0.464 391 H N 1.854 120.794 119.070 -0.218 0.000 2.525 391 H HA -0.002 4.560 4.556 0.010 0.000 0.275 391 H C -0.059 175.045 175.328 -0.374 0.000 0.984 391 H CA 0.340 56.238 56.048 -0.250 0.000 1.264 391 H CB 0.710 30.326 29.762 -0.244 0.000 1.432 391 H HN 0.647 8.927 8.280 0.000 0.000 0.549 392 H N 1.760 120.753 119.070 -0.128 0.000 2.846 392 H HA 0.083 4.645 4.556 0.010 0.000 0.278 392 H C 0.429 175.631 175.328 -0.211 0.000 1.117 392 H CA -0.682 55.207 56.048 -0.265 0.000 1.406 392 H CB 0.449 30.147 29.762 -0.106 0.000 1.445 392 H HN 0.265 8.545 8.280 0.000 0.000 0.469 393 H N 0.000 119.148 119.070 0.131 0.000 2.539 393 H HA 0.000 4.562 4.556 0.010 0.000 0.296 393 H CA 0.000 56.082 56.048 0.057 0.000 1.023 393 H CB 0.000 29.786 29.762 0.040 0.000 1.292 393 H HN 0.000 8.280 8.280 0.000 0.000 0.496