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 2glj_1_I DATA FIRST_RESID 5 DATA SEQUENCE LLKEYKNAWD KYDDKQLKEV FALGDRFKNF ISNCKTEREC VTELIKTAEK DATA SEQUENCE SGYRNIEDIL AKGETLKEGD KVYANNRGKG LIMFLIGKEP LYTGFKILGA DATA SEQUENCE HIDSPRLDLK QNPLYEDTDL AMLETHYYGG IKKYQWVTLP LAIHGVIVKK DATA SEQUENCE DGTIVNVCVG EDDNDPVFGV SDILVHLASE QLEKKASKVI EGEDLNILIG DATA SEQUENCE SIPLKDGEEK QKVKHNIMKI LNEKYDISEE DFVSAELEIV PAGKARDYGF DATA SEQUENCE DRSMVMGYGQ DDRICAYTSF EAMLEMKNAK KTCITILVDK EEVGSIGATG DATA SEQUENCE MQSKFFENTV ADIMSXXXXX DELKLRKALY NSEMLSSDVS AAFDPNYPNV DATA SEQUENCE MEKRNSAYLG KGIVFNKYTG SRGKSGCNDA NPEYIAELRR ILSKESVNWQ DATA SEQUENCE TAELGKVDQG GGGTIAYILA EYGMQVIDCG VALLNXHAPW EISSKADIYE DATA SEQUENCE TKNGYSAFLN N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 4.340 4.340 0.000 0.000 0.249 5 L C 0.000 176.840 176.870 -0.050 0.000 1.165 5 L CA 0.000 54.815 54.840 -0.041 0.000 0.813 5 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 6 L N 2.700 123.890 121.223 -0.054 0.000 2.484 6 L HA 0.309 4.650 4.340 0.002 0.000 0.158 6 L C 0.697 177.507 176.870 -0.099 0.000 1.161 6 L CA 0.475 55.279 54.840 -0.061 0.000 2.088 6 L CB -0.173 41.855 42.059 -0.052 0.000 2.337 6 L HN 0.359 8.589 8.230 0.000 0.000 0.594 7 K N 0.718 121.041 120.400 -0.128 0.000 2.640 7 K HA 0.286 4.607 4.320 0.002 0.000 0.245 7 K C -1.572 174.852 176.600 -0.294 0.000 0.962 7 K CA -0.224 55.920 56.287 -0.240 0.000 0.896 7 K CB 1.316 33.665 32.500 -0.251 0.000 1.147 7 K HN 0.486 8.736 8.250 0.000 0.000 0.445 8 E N 3.805 123.810 120.200 -0.324 0.000 2.151 8 E HA 0.215 4.566 4.350 0.002 0.000 0.275 8 E C -0.993 175.368 176.600 -0.399 0.000 0.936 8 E CA -0.674 55.567 56.400 -0.264 0.000 0.777 8 E CB 0.762 30.361 29.700 -0.168 0.000 1.108 8 E HN 0.343 8.703 8.360 0.000 0.000 0.401 9 Y N 3.677 123.854 120.300 -0.204 0.000 2.504 9 Y HA 0.143 4.694 4.550 0.002 0.000 0.351 9 Y C 0.141 175.909 175.900 -0.220 0.000 0.988 9 Y CA -0.430 57.515 58.100 -0.258 0.000 1.239 9 Y CB 0.522 38.831 38.460 -0.251 0.000 1.128 9 Y HN 0.370 8.650 8.280 0.000 0.000 0.525 10 K N 2.949 123.270 120.400 -0.131 0.000 2.440 10 K HA -0.044 4.277 4.320 0.002 0.000 0.270 10 K C 0.513 177.066 176.600 -0.077 0.000 0.980 10 K CA -0.134 56.086 56.287 -0.112 0.000 0.953 10 K CB 0.197 32.608 32.500 -0.149 0.000 0.925 10 K HN 0.636 8.886 8.250 0.000 0.000 0.497 11 N N 0.757 119.422 118.700 -0.059 0.000 2.476 11 N HA 0.209 4.950 4.740 0.002 0.000 0.275 11 N C 0.142 175.584 175.510 -0.112 0.000 1.190 11 N CA 0.091 53.128 53.050 -0.022 0.000 0.977 11 N CB 1.524 40.046 38.487 0.058 0.000 1.200 11 N HN 0.383 8.763 8.380 0.000 0.000 0.515 12 A N 1.376 124.096 122.820 -0.166 0.000 1.878 12 A HA 0.092 4.413 4.320 0.002 0.000 0.213 12 A C 0.540 177.691 177.584 -0.722 0.000 1.192 12 A CA 0.242 51.963 52.037 -0.527 0.000 0.619 12 A CB -0.714 17.953 19.000 -0.556 0.000 0.837 12 A HN 0.740 8.890 8.150 0.000 0.000 0.446 13 W N -0.087 121.138 121.300 -0.125 0.000 1.645 13 W HA 0.302 4.963 4.660 0.001 0.000 0.351 13 W C 1.148 177.653 176.519 -0.022 0.000 1.568 13 W CA 0.522 57.906 57.345 0.064 0.000 1.739 13 W CB 0.039 29.602 29.460 0.171 0.000 1.441 13 W HN 0.506 8.686 8.180 0.000 0.000 0.759 14 D N -1.305 119.291 120.400 0.326 0.000 4.286 14 D HA -0.390 4.251 4.640 0.002 0.000 0.203 14 D C 1.642 178.012 176.300 0.118 0.000 1.071 14 D CA 2.121 56.222 54.000 0.169 0.000 2.291 14 D CB -1.518 39.342 40.800 0.100 0.000 1.164 14 D HN 0.423 8.793 8.370 0.000 0.000 0.407 15 K N 1.388 121.799 120.400 0.017 0.000 2.089 15 K HA -0.207 4.114 4.320 0.002 0.000 0.210 15 K C 1.962 178.613 176.600 0.085 0.000 1.048 15 K CA 1.682 57.958 56.287 -0.018 0.000 0.926 15 K CB -0.465 31.946 32.500 -0.147 0.000 0.714 15 K HN 0.328 8.578 8.250 0.000 0.000 0.448 16 Y N 1.034 121.417 120.300 0.138 0.000 2.285 16 Y HA -0.201 4.350 4.550 0.002 0.000 0.227 16 Y C 1.990 177.982 175.900 0.154 0.000 1.003 16 Y CA 1.353 59.558 58.100 0.176 0.000 1.003 16 Y CB -1.230 37.381 38.460 0.252 0.000 0.994 16 Y HN 0.349 8.629 8.280 0.000 0.000 0.500 17 D N -1.761 118.876 120.400 0.396 0.000 3.910 17 D HA -0.412 4.230 4.640 0.002 0.000 0.153 17 D C 0.970 177.363 176.300 0.156 0.000 0.802 17 D CA 2.602 56.735 54.000 0.221 0.000 1.009 17 D CB -0.956 39.944 40.800 0.168 0.000 0.453 17 D HN 0.511 8.881 8.370 0.000 0.000 0.422 18 D N -1.329 119.143 120.400 0.120 0.000 2.921 18 D HA -0.324 4.317 4.640 0.002 0.000 0.202 18 D C 0.858 177.190 176.300 0.053 0.000 1.082 18 D CA 2.323 56.377 54.000 0.091 0.000 1.014 18 D CB -0.344 40.527 40.800 0.118 0.000 1.120 18 D HN 0.467 8.837 8.370 0.000 0.000 0.416 19 K N -2.727 117.697 120.400 0.039 0.000 3.507 19 K HA -0.325 3.996 4.320 0.002 0.000 0.287 19 K C 1.408 177.992 176.600 -0.028 0.000 0.922 19 K CA 2.341 58.629 56.287 0.000 0.000 1.216 19 K CB -1.597 30.905 32.500 0.003 0.000 1.428 19 K HN 0.575 8.825 8.250 0.000 0.000 0.453 20 Q N -0.022 119.775 119.800 -0.006 0.000 2.103 20 Q HA 0.236 4.577 4.340 0.002 0.000 0.193 20 Q C 1.913 177.881 176.000 -0.054 0.000 0.986 20 Q CA 0.850 56.642 55.803 -0.018 0.000 0.834 20 Q CB -0.121 28.630 28.738 0.022 0.000 0.915 20 Q HN 0.200 8.470 8.270 0.000 0.000 0.483 21 L N 1.363 122.591 121.223 0.008 0.000 2.058 21 L HA -0.364 3.978 4.340 0.002 0.000 0.226 21 L C 2.489 179.200 176.870 -0.266 0.000 1.089 21 L CA 1.746 56.578 54.840 -0.013 0.000 0.799 21 L CB -0.605 41.562 42.059 0.181 0.000 0.900 21 L HN 0.241 8.471 8.230 0.000 0.000 0.442 22 K N -0.394 119.843 120.400 -0.272 0.000 1.977 22 K HA -0.277 4.044 4.320 0.002 0.000 0.218 22 K C 2.068 178.184 176.600 -0.807 0.000 1.051 22 K CA 2.038 57.929 56.287 -0.660 0.000 0.953 22 K CB -0.287 32.053 32.500 -0.268 0.000 0.727 22 K HN 0.154 8.404 8.250 0.000 0.000 0.445 23 E N 0.746 120.702 120.200 -0.407 0.000 2.147 23 E HA -0.177 4.174 4.350 0.002 0.000 0.199 23 E C 1.521 177.938 176.600 -0.305 0.000 1.005 23 E CA 1.140 57.352 56.400 -0.312 0.000 0.810 23 E CB -0.013 29.581 29.700 -0.177 0.000 0.736 23 E HN 0.059 8.419 8.360 0.000 0.000 0.460 24 V N 0.808 120.561 119.914 -0.268 0.000 3.440 24 V HA -0.134 3.987 4.120 0.002 0.000 0.274 24 V C 1.115 177.122 176.094 -0.145 0.000 1.207 24 V CA 1.686 63.897 62.300 -0.149 0.000 1.183 24 V CB -1.123 30.669 31.823 -0.051 0.000 0.837 24 V HN 0.492 8.682 8.190 0.000 0.000 0.532 25 F N -2.215 117.511 119.950 -0.374 0.000 2.532 25 F HA 0.502 5.030 4.527 0.002 0.000 0.372 25 F C 1.833 177.525 175.800 -0.180 0.000 0.806 25 F CA 0.233 58.029 58.000 -0.341 0.000 0.992 25 F CB -0.422 38.093 39.000 -0.809 0.000 0.990 25 F HN -0.118 8.182 8.300 0.000 0.000 0.632 26 A N 1.800 124.059 122.820 -0.935 0.000 1.927 26 A HA -0.101 4.220 4.320 0.002 0.000 0.220 26 A C 1.993 179.478 177.584 -0.166 0.000 1.185 26 A CA 2.712 54.461 52.037 -0.480 0.000 0.639 26 A CB -0.992 17.698 19.000 -0.516 0.000 0.820 26 A HN 0.571 8.721 8.150 0.000 0.000 0.451 27 L N -2.579 118.531 121.223 -0.189 0.000 2.672 27 L HA 0.218 4.559 4.340 0.002 0.000 0.236 27 L C 2.409 179.261 176.870 -0.031 0.000 1.092 27 L CA 0.273 55.032 54.840 -0.136 0.000 0.887 27 L CB -0.186 41.736 42.059 -0.228 0.000 1.168 27 L HN 0.432 8.662 8.230 0.000 0.000 0.502 28 G N 0.537 109.331 108.800 -0.010 0.000 2.844 28 G HA2 -0.256 3.705 3.960 0.002 0.000 0.211 28 G HA3 -0.256 3.705 3.960 0.002 0.000 0.211 28 G C 0.988 176.044 174.900 0.259 0.000 1.368 28 G CA 1.096 46.264 45.100 0.113 0.000 0.815 28 G HN 0.178 8.468 8.290 0.000 0.000 0.649 29 D N -0.010 120.570 120.400 0.299 0.000 2.117 29 D HA -0.052 4.589 4.640 0.002 0.000 0.198 29 D C 1.670 178.165 176.300 0.325 0.000 0.982 29 D CA 0.252 54.457 54.000 0.342 0.000 0.828 29 D CB -0.133 40.867 40.800 0.333 0.000 0.967 29 D HN 0.003 8.373 8.370 0.000 0.000 0.464 30 R N 0.391 121.064 120.500 0.288 0.000 2.824 30 R HA -0.005 4.336 4.340 0.002 0.000 0.240 30 R C -0.345 176.163 176.300 0.347 0.000 1.548 30 R CA 0.172 56.425 56.100 0.256 0.000 1.119 30 R CB -1.080 29.291 30.300 0.117 0.000 1.189 30 R HN 0.134 8.404 8.270 0.000 0.000 0.596 31 F N 1.554 121.668 119.950 0.273 0.000 1.759 31 F HA -0.011 4.517 4.527 0.002 0.000 0.251 31 F C 0.585 176.525 175.800 0.234 0.000 1.266 31 F CA 0.127 58.307 58.000 0.299 0.000 1.245 31 F CB -0.219 38.880 39.000 0.163 0.000 2.065 31 F HN 0.141 8.441 8.300 0.000 0.000 0.108 32 K N 1.546 122.105 120.400 0.266 0.000 1.969 32 K HA -0.121 4.200 4.320 0.002 0.000 0.216 32 K C 1.762 178.224 176.600 -0.229 0.000 1.048 32 K CA 2.198 58.543 56.287 0.096 0.000 0.948 32 K CB -1.100 31.644 32.500 0.406 0.000 0.726 32 K HN 0.525 8.775 8.250 0.000 0.000 0.442 33 N N -0.249 118.270 118.700 -0.301 0.000 2.013 33 N HA -0.228 4.513 4.740 0.002 0.000 0.195 33 N C 1.867 177.251 175.510 -0.209 0.000 1.051 33 N CA 1.508 54.219 53.050 -0.566 0.000 0.851 33 N CB -0.263 38.133 38.487 -0.152 0.000 1.044 33 N HN 0.130 8.510 8.380 0.000 0.000 0.422 34 F N 1.629 121.522 119.950 -0.095 0.000 2.167 34 F HA -0.218 4.310 4.527 0.002 0.000 0.301 34 F C 2.019 177.779 175.800 -0.066 0.000 1.066 34 F CA 1.411 59.401 58.000 -0.018 0.000 1.285 34 F CB -0.264 38.786 39.000 0.083 0.000 1.032 34 F HN 0.206 8.506 8.300 0.000 0.000 0.495 35 I N -1.674 118.718 120.570 -0.297 0.000 3.265 35 I HA -0.106 4.065 4.170 0.002 0.000 0.282 35 I C 2.400 178.334 176.117 -0.305 0.000 1.207 35 I CA 0.740 61.806 61.300 -0.391 0.000 1.449 35 I CB -0.220 37.583 38.000 -0.329 0.000 1.121 35 I HN 0.179 8.389 8.210 0.000 0.000 0.442 36 S N 2.301 117.804 115.700 -0.328 0.000 2.351 36 S HA -0.209 4.262 4.470 0.002 0.000 0.220 36 S C 1.474 175.945 174.600 -0.215 0.000 1.035 36 S CA 2.018 60.041 58.200 -0.296 0.000 1.031 36 S CB -0.493 62.400 63.200 -0.511 0.000 0.928 36 S HN 0.666 8.976 8.310 0.000 0.000 0.433 37 N N 0.530 119.098 118.700 -0.220 0.000 2.542 37 N HA 0.053 4.794 4.740 0.002 0.000 0.234 37 N C 0.648 176.077 175.510 -0.135 0.000 1.257 37 N CA 0.405 53.365 53.050 -0.151 0.000 0.883 37 N CB -0.829 37.576 38.487 -0.137 0.000 1.197 37 N HN 0.453 8.833 8.380 0.000 0.000 0.488 38 C N -0.767 118.443 119.300 -0.152 0.000 2.854 38 C HA 0.257 4.718 4.460 0.002 0.000 0.524 38 C C 1.597 176.549 174.990 -0.063 0.000 1.332 38 C CA -0.286 58.655 59.018 -0.127 0.000 2.553 38 C CB 0.350 27.962 27.740 -0.214 0.000 3.360 38 C HN 0.367 8.597 8.230 0.000 0.000 0.541 39 K N 1.689 122.044 120.400 -0.075 0.000 2.397 39 K HA 0.157 4.478 4.320 0.002 0.000 0.202 39 K C -0.537 176.059 176.600 -0.008 0.000 1.022 39 K CA 0.558 56.827 56.287 -0.029 0.000 1.141 39 K CB 0.232 32.701 32.500 -0.052 0.000 0.857 39 K HN 0.580 8.830 8.250 0.000 0.000 0.514 40 T N -0.506 114.034 114.554 -0.024 0.000 3.566 40 T HA 0.239 4.590 4.350 0.002 0.000 0.330 40 T C -0.146 174.534 174.700 -0.033 0.000 0.877 40 T CA -0.759 61.329 62.100 -0.020 0.000 1.030 40 T CB 1.131 69.968 68.868 -0.050 0.000 1.033 40 T HN 0.026 8.266 8.240 0.000 0.000 0.463 41 E N 1.026 121.195 120.200 -0.052 0.000 2.641 41 E HA 0.138 4.489 4.350 0.002 0.000 0.224 41 E C 0.598 177.184 176.600 -0.022 0.000 0.951 41 E CA -0.410 55.964 56.400 -0.043 0.000 1.102 41 E CB 1.128 30.704 29.700 -0.207 0.000 1.091 41 E HN 0.262 8.622 8.360 0.000 0.000 0.507 42 R N 1.837 122.310 120.500 -0.045 0.000 2.487 42 R HA 0.073 4.414 4.340 0.002 0.000 0.288 42 R C -0.809 175.488 176.300 -0.005 0.000 1.394 42 R CA -0.065 56.026 56.100 -0.016 0.000 1.155 42 R CB 0.129 30.425 30.300 -0.007 0.000 1.156 42 R HN -0.046 8.224 8.270 0.000 0.000 0.553 43 E N 0.817 121.014 120.200 -0.005 0.000 2.292 43 E HA -0.289 4.062 4.350 0.002 0.000 0.232 43 E C 0.780 177.367 176.600 -0.022 0.000 1.451 43 E CA 1.353 57.745 56.400 -0.013 0.000 0.705 43 E CB -1.972 27.720 29.700 -0.014 0.000 1.169 43 E HN 0.691 9.051 8.360 0.000 0.000 0.373 44 C N -3.329 115.960 119.300 -0.019 0.000 2.693 44 C HA 0.370 4.832 4.460 0.002 0.000 0.286 44 C C 1.985 176.948 174.990 -0.045 0.000 1.277 44 C CA -0.334 58.671 59.018 -0.022 0.000 1.705 44 C CB -0.945 26.796 27.740 0.003 0.000 1.879 44 C HN 0.330 8.560 8.230 0.000 0.000 0.607 45 V N 2.035 121.915 119.914 -0.058 0.000 2.469 45 V HA -0.223 3.898 4.120 0.002 0.000 0.251 45 V C 2.762 178.779 176.094 -0.129 0.000 1.064 45 V CA 2.746 64.990 62.300 -0.094 0.000 1.066 45 V CB -1.379 30.388 31.823 -0.094 0.000 0.667 45 V HN 0.681 8.871 8.190 0.000 0.000 0.461 46 T N -0.088 114.404 114.554 -0.103 0.000 2.607 46 T HA -0.248 4.103 4.350 0.002 0.000 0.267 46 T C 1.774 176.396 174.700 -0.130 0.000 1.049 46 T CA 2.061 64.090 62.100 -0.118 0.000 1.162 46 T CB -0.269 68.554 68.868 -0.074 0.000 0.863 46 T HN 0.650 8.890 8.240 0.000 0.000 0.424 47 E N 0.633 120.780 120.200 -0.088 0.000 2.013 47 E HA -0.129 4.222 4.350 0.002 0.000 0.202 47 E C 2.277 178.828 176.600 -0.082 0.000 1.018 47 E CA 0.944 57.300 56.400 -0.073 0.000 0.834 47 E CB -0.395 29.282 29.700 -0.039 0.000 0.770 47 E HN 0.168 8.528 8.360 0.000 0.000 0.459 48 L N 1.144 122.322 121.223 -0.075 0.000 2.081 48 L HA -0.209 4.132 4.340 0.002 0.000 0.212 48 L C 2.245 179.052 176.870 -0.106 0.000 1.080 48 L CA 1.578 56.376 54.840 -0.070 0.000 0.754 48 L CB -0.541 41.480 42.059 -0.065 0.000 0.893 48 L HN 0.273 8.503 8.230 0.000 0.000 0.433 49 I N -0.540 119.912 120.570 -0.196 0.000 2.286 49 I HA -0.305 3.866 4.170 0.002 0.000 0.245 49 I C 2.513 178.520 176.117 -0.184 0.000 1.104 49 I CA 0.909 62.007 61.300 -0.337 0.000 1.397 49 I CB -0.139 37.503 38.000 -0.598 0.000 1.072 49 I HN 0.233 8.443 8.210 0.000 0.000 0.417 50 K N 0.411 120.685 120.400 -0.210 0.000 2.147 50 K HA -0.160 4.161 4.320 0.002 0.000 0.205 50 K C 1.959 178.481 176.600 -0.130 0.000 1.049 50 K CA 1.604 57.721 56.287 -0.284 0.000 0.936 50 K CB 0.021 32.300 32.500 -0.369 0.000 0.722 50 K HN 0.190 8.440 8.250 0.000 0.000 0.446 51 T N 1.009 115.527 114.554 -0.059 0.000 2.746 51 T HA -0.038 4.313 4.350 0.002 0.000 0.267 51 T C 0.957 175.692 174.700 0.058 0.000 1.039 51 T CA 0.977 63.083 62.100 0.010 0.000 1.142 51 T CB -0.177 68.697 68.868 0.011 0.000 0.866 51 T HN 0.421 8.661 8.240 0.000 0.000 0.444 52 A N 0.757 123.623 122.820 0.077 0.000 2.256 52 A HA 0.360 4.681 4.320 0.002 0.000 0.276 52 A C 0.925 178.620 177.584 0.185 0.000 1.259 52 A CA -0.314 51.825 52.037 0.169 0.000 0.813 52 A CB 0.010 19.180 19.000 0.283 0.000 1.200 52 A HN 0.384 8.534 8.150 0.000 0.000 0.506 53 E N -2.117 118.207 120.200 0.206 0.000 3.170 53 E HA -0.221 4.130 4.350 0.002 0.000 0.284 53 E C 0.728 177.503 176.600 0.292 0.000 0.967 53 E CA 1.320 57.829 56.400 0.181 0.000 0.919 53 E CB -1.333 28.353 29.700 -0.023 0.000 1.469 53 E HN 0.677 9.037 8.360 0.000 0.000 0.444 54 K N 1.265 121.793 120.400 0.213 0.000 2.439 54 K HA 0.006 4.327 4.320 0.002 0.000 0.197 54 K C 0.750 177.464 176.600 0.190 0.000 1.041 54 K CA 1.097 57.502 56.287 0.197 0.000 0.970 54 K CB -0.067 32.517 32.500 0.139 0.000 0.773 54 K HN 0.161 8.411 8.250 0.000 0.000 0.479 55 S N -0.194 115.626 115.700 0.200 0.000 3.811 55 S HA 0.506 4.977 4.470 0.002 0.000 0.205 55 S C 0.575 175.269 174.600 0.155 0.000 1.445 55 S CA -0.201 58.090 58.200 0.152 0.000 1.097 55 S CB -0.614 62.664 63.200 0.129 0.000 1.350 55 S HN 0.510 8.820 8.310 0.000 0.000 0.471 56 G N 0.461 109.352 108.800 0.152 0.000 2.352 56 G HA2 0.173 4.134 3.960 0.002 0.000 0.324 56 G HA3 0.173 4.134 3.960 0.002 0.000 0.324 56 G C -0.905 174.112 174.900 0.196 0.000 1.249 56 G CA -0.583 44.536 45.100 0.033 0.000 1.053 56 G HN 0.813 9.103 8.290 0.000 0.000 0.492 57 Y N -1.781 118.580 120.300 0.101 0.000 2.526 57 Y HA 0.041 4.592 4.550 0.002 0.000 0.022 57 Y C 1.137 177.041 175.900 0.007 0.000 1.721 57 Y CA 1.828 60.009 58.100 0.134 0.000 1.405 57 Y CB -0.705 37.972 38.460 0.360 0.000 2.052 57 Y HN 1.510 9.790 8.280 0.000 0.000 0.257 58 R N 0.847 121.240 120.500 -0.177 0.000 4.750 58 R HA 0.067 4.408 4.340 0.002 0.000 0.036 58 R C 1.383 177.285 176.300 -0.664 0.000 0.797 58 R CA 0.958 56.763 56.100 -0.491 0.000 2.150 58 R CB -0.835 29.367 30.300 -0.163 0.000 1.192 58 R HN 0.768 9.038 8.270 0.000 0.000 0.453 59 N N 0.764 119.271 118.700 -0.323 0.000 2.209 59 N HA -0.410 4.331 4.740 0.002 0.000 0.153 59 N C 1.281 176.660 175.510 -0.219 0.000 0.326 59 N CA 3.222 56.128 53.050 -0.241 0.000 1.500 59 N CB -1.324 37.034 38.487 -0.214 0.000 1.300 59 N HN 0.488 8.868 8.380 0.000 0.000 0.409 60 I N 1.226 121.654 120.570 -0.236 0.000 4.792 60 I HA -0.447 3.724 4.170 0.002 0.000 0.050 60 I C 1.814 177.897 176.117 -0.056 0.000 0.633 60 I CA 3.535 64.775 61.300 -0.100 0.000 0.487 60 I CB -1.077 36.884 38.000 -0.065 0.000 0.488 60 I HN 0.757 8.967 8.210 0.000 0.000 0.159 61 E N -0.532 119.634 120.200 -0.056 0.000 2.290 61 E HA 0.101 4.452 4.350 0.002 0.000 0.199 61 E C 0.542 177.113 176.600 -0.048 0.000 0.912 61 E CA 0.702 57.082 56.400 -0.034 0.000 0.924 61 E CB -0.353 29.340 29.700 -0.011 0.000 0.901 61 E HN 0.686 9.046 8.360 0.000 0.000 0.487 62 D N 1.702 122.064 120.400 -0.064 0.000 2.662 62 D HA 0.068 4.709 4.640 0.002 0.000 0.228 62 D C -0.697 175.560 176.300 -0.073 0.000 1.090 62 D CA 0.310 54.273 54.000 -0.062 0.000 1.118 62 D CB -0.581 40.180 40.800 -0.065 0.000 1.129 62 D HN -0.005 8.365 8.370 0.000 0.000 0.472 63 I N 1.302 121.833 120.570 -0.064 0.000 2.371 63 I HA 0.175 4.346 4.170 0.002 0.000 0.282 63 I C 0.443 176.527 176.117 -0.055 0.000 1.031 63 I CA -0.039 61.219 61.300 -0.069 0.000 1.180 63 I CB 1.121 39.078 38.000 -0.072 0.000 1.336 63 I HN 0.216 8.426 8.210 0.000 0.000 0.467 64 L N 5.397 126.588 121.223 -0.054 0.000 3.298 64 L HA 0.465 4.806 4.340 0.002 0.000 0.296 64 L C 1.447 178.289 176.870 -0.045 0.000 1.237 64 L CA 0.266 55.080 54.840 -0.044 0.000 1.038 64 L CB 0.252 42.289 42.059 -0.038 0.000 1.423 64 L HN 0.752 8.982 8.230 0.000 0.000 0.605 65 A N 0.410 123.198 122.820 -0.054 0.000 1.693 65 A HA -0.308 4.013 4.320 0.002 0.000 0.227 65 A C 1.619 179.173 177.584 -0.050 0.000 0.457 65 A CA 2.107 54.111 52.037 -0.054 0.000 1.106 65 A CB -1.039 17.933 19.000 -0.046 0.000 1.453 65 A HN 0.275 8.425 8.150 0.000 0.000 0.714 66 K N 0.030 120.405 120.400 -0.043 0.000 2.358 66 K HA 0.302 4.623 4.320 0.002 0.000 0.200 66 K C 1.767 178.344 176.600 -0.038 0.000 1.030 66 K CA 0.912 57.176 56.287 -0.039 0.000 1.097 66 K CB -0.211 32.270 32.500 -0.032 0.000 0.862 66 K HN 0.730 8.980 8.250 0.000 0.000 0.534 67 G N 1.738 110.513 108.800 -0.042 0.000 2.462 67 G HA2 -0.209 3.752 3.960 0.002 0.000 0.220 67 G HA3 -0.209 3.752 3.960 0.002 0.000 0.220 67 G C 1.041 175.915 174.900 -0.043 0.000 1.121 67 G CA 0.809 45.884 45.100 -0.041 0.000 0.758 67 G HN 0.220 8.510 8.290 0.000 0.000 0.559 68 E N -0.478 119.692 120.200 -0.051 0.000 2.753 68 E HA 0.061 4.412 4.350 0.002 0.000 0.218 68 E C 0.420 176.988 176.600 -0.053 0.000 0.956 68 E CA 0.693 57.061 56.400 -0.054 0.000 1.244 68 E CB 0.023 29.683 29.700 -0.067 0.000 1.114 68 E HN 0.420 8.780 8.360 0.000 0.000 0.530 69 T N 0.306 114.831 114.554 -0.049 0.000 3.110 69 T HA -0.242 4.109 4.350 0.002 0.000 0.445 69 T C 0.309 174.978 174.700 -0.051 0.000 0.772 69 T CA -0.070 62.002 62.100 -0.046 0.000 2.271 69 T CB -1.573 67.272 68.868 -0.038 0.000 1.657 69 T HN 0.188 8.428 8.240 0.000 0.000 0.594 70 L N 1.572 122.760 121.223 -0.059 0.000 2.825 70 L HA 0.357 4.698 4.340 0.002 0.000 0.278 70 L C 0.430 177.269 176.870 -0.052 0.000 1.125 70 L CA 1.570 56.371 54.840 -0.065 0.000 1.023 70 L CB -0.466 41.546 42.059 -0.078 0.000 1.377 70 L HN 0.881 9.111 8.230 0.000 0.000 0.471 71 K N 2.294 122.665 120.400 -0.048 0.000 2.491 71 K HA 0.243 4.564 4.320 0.002 0.000 0.275 71 K C -0.966 175.610 176.600 -0.039 0.000 0.982 71 K CA -0.581 55.682 56.287 -0.040 0.000 0.794 71 K CB 0.651 33.130 32.500 -0.036 0.000 1.488 71 K HN 0.525 8.775 8.250 0.000 0.000 0.360 72 E N 0.497 120.675 120.200 -0.036 0.000 2.760 72 E HA 0.062 4.413 4.350 0.002 0.000 0.268 72 E C 0.516 177.093 176.600 -0.039 0.000 0.935 72 E CA 1.037 57.416 56.400 -0.035 0.000 0.960 72 E CB -0.383 29.299 29.700 -0.031 0.000 0.931 72 E HN 0.781 9.141 8.360 0.000 0.000 0.483 73 G N 2.645 111.422 108.800 -0.039 0.000 2.186 73 G HA2 -0.289 3.673 3.960 0.002 0.000 0.266 73 G HA3 -0.289 3.673 3.960 0.002 0.000 0.266 73 G C -0.246 174.612 174.900 -0.070 0.000 0.982 73 G CA 0.460 45.531 45.100 -0.048 0.000 0.670 73 G HN 0.741 9.031 8.290 0.000 0.000 0.533 74 D N 0.670 121.030 120.400 -0.067 0.000 2.304 74 D HA 0.486 5.127 4.640 0.002 0.000 0.247 74 D C 0.626 176.857 176.300 -0.116 0.000 1.089 74 D CA 0.347 54.291 54.000 -0.092 0.000 0.910 74 D CB 0.943 41.700 40.800 -0.073 0.000 1.199 74 D HN 0.641 9.011 8.370 0.000 0.000 0.426 75 K N -0.559 119.708 120.400 -0.222 0.000 2.507 75 K HA 0.589 4.910 4.320 0.002 0.000 0.251 75 K C -0.872 175.572 176.600 -0.259 0.000 0.943 75 K CA -0.915 55.142 56.287 -0.382 0.000 0.794 75 K CB 1.845 33.713 32.500 -1.053 0.000 1.188 75 K HN 0.202 8.452 8.250 0.000 0.000 0.428 76 V N -0.603 119.409 119.914 0.163 0.000 3.159 76 V HA 0.722 4.843 4.120 0.002 0.000 0.308 76 V C -1.411 175.007 176.094 0.540 0.000 1.190 76 V CA -0.985 61.464 62.300 0.248 0.000 1.037 76 V CB 1.281 33.100 31.823 -0.007 0.000 1.060 76 V HN 0.887 9.077 8.190 0.000 0.000 0.437 77 Y N 0.328 120.839 120.300 0.351 0.000 2.605 77 Y HA 1.000 5.551 4.550 0.002 0.000 0.343 77 Y C -0.450 175.564 175.900 0.191 0.000 1.036 77 Y CA -1.441 56.828 58.100 0.281 0.000 1.065 77 Y CB 1.709 40.273 38.460 0.174 0.000 1.288 77 Y HN 1.227 9.507 8.280 0.000 0.000 0.481 78 A N 2.940 126.061 122.820 0.502 0.000 2.353 78 A HA 0.451 4.773 4.320 0.002 0.000 0.299 78 A C -1.496 176.280 177.584 0.320 0.000 1.089 78 A CA -0.842 51.394 52.037 0.331 0.000 0.736 78 A CB 0.881 20.019 19.000 0.231 0.000 1.195 78 A HN 0.780 8.930 8.150 0.000 0.000 0.447 79 N N 2.001 120.873 118.700 0.286 0.000 2.455 79 N HA 0.118 4.859 4.740 0.002 0.000 0.280 79 N C -0.859 174.724 175.510 0.121 0.000 1.055 79 N CA -0.057 53.100 53.050 0.178 0.000 0.961 79 N CB 1.012 39.600 38.487 0.168 0.000 1.121 79 N HN 0.785 9.165 8.380 0.000 0.000 0.476 80 N N 2.658 121.413 118.700 0.091 0.000 2.699 80 N HA 0.099 4.840 4.740 0.002 0.000 0.232 80 N C -0.251 175.289 175.510 0.049 0.000 1.027 80 N CA -0.386 52.708 53.050 0.073 0.000 0.920 80 N CB 0.246 38.779 38.487 0.078 0.000 1.148 80 N HN 0.453 8.833 8.380 0.000 0.000 0.509 81 R N 2.976 123.503 120.500 0.044 0.000 3.591 81 R HA -0.237 4.105 4.340 0.002 0.000 0.268 81 R C 0.963 177.274 176.300 0.019 0.000 1.102 81 R CA 1.219 57.336 56.100 0.028 0.000 0.732 81 R CB -1.920 28.392 30.300 0.020 0.000 1.117 81 R HN 0.967 9.237 8.270 0.000 0.000 0.472 82 G N -1.579 107.234 108.800 0.022 0.000 2.257 82 G HA2 -0.421 3.540 3.960 0.002 0.000 0.267 82 G HA3 -0.421 3.540 3.960 0.002 0.000 0.267 82 G C 0.897 175.796 174.900 -0.003 0.000 0.984 82 G CA 0.661 45.765 45.100 0.007 0.000 0.626 82 G HN 0.411 8.701 8.290 0.000 0.000 0.540 83 K N 0.761 121.163 120.400 0.003 0.000 2.314 83 K HA 0.264 4.585 4.320 0.002 0.000 0.198 83 K C 1.355 177.960 176.600 0.007 0.000 1.045 83 K CA 1.054 57.340 56.287 -0.002 0.000 0.988 83 K CB 0.421 32.918 32.500 -0.004 0.000 0.783 83 K HN 0.692 8.942 8.250 0.000 0.000 0.484 84 G N 0.946 109.758 108.800 0.021 0.000 2.574 84 G HA2 0.586 4.547 3.960 0.002 0.000 0.299 84 G HA3 0.586 4.547 3.960 0.002 0.000 0.299 84 G C -1.873 173.051 174.900 0.040 0.000 1.298 84 G CA -0.434 44.685 45.100 0.032 0.000 0.952 84 G HN 0.026 8.316 8.290 0.000 0.000 0.477 85 L N 0.657 121.905 121.223 0.042 0.000 2.482 85 L HA 0.833 5.174 4.340 0.002 0.000 0.263 85 L C -1.502 175.420 176.870 0.088 0.000 0.957 85 L CA -0.884 53.989 54.840 0.055 0.000 0.836 85 L CB 2.007 44.056 42.059 -0.017 0.000 1.324 85 L HN 0.638 8.868 8.230 0.000 0.000 0.406 86 I N 4.856 125.520 120.570 0.156 0.000 2.534 86 I HA 0.553 4.724 4.170 0.002 0.000 0.288 86 I C -1.471 174.787 176.117 0.234 0.000 1.077 86 I CA -0.557 60.840 61.300 0.162 0.000 1.051 86 I CB 1.660 39.790 38.000 0.217 0.000 1.234 86 I HN 0.728 8.938 8.210 0.000 0.000 0.425 87 M N 7.034 126.705 119.600 0.120 0.000 2.436 87 M HA 0.510 4.991 4.480 0.002 0.000 0.331 87 M C -1.387 174.990 176.300 0.129 0.000 1.135 87 M CA -0.445 54.987 55.300 0.221 0.000 0.987 87 M CB 2.054 34.681 32.600 0.045 0.000 1.687 87 M HN 0.382 8.672 8.290 0.000 0.000 0.445 88 F N 2.006 122.136 119.950 0.301 0.000 2.575 88 F HA 0.771 5.299 4.527 0.002 0.000 0.330 88 F C -0.602 175.342 175.800 0.241 0.000 1.056 88 F CA -0.992 57.150 58.000 0.236 0.000 0.964 88 F CB 1.809 40.908 39.000 0.165 0.000 1.258 88 F HN 0.393 8.693 8.300 0.000 0.000 0.484 89 L N 3.009 124.430 121.223 0.330 0.000 2.666 89 L HA 0.498 4.839 4.340 0.002 0.000 0.258 89 L C -1.401 175.534 176.870 0.107 0.000 0.991 89 L CA -0.231 54.708 54.840 0.166 0.000 0.916 89 L CB 0.346 42.486 42.059 0.135 0.000 1.199 89 L HN 0.376 8.606 8.230 0.000 0.000 0.439 90 I N 3.321 123.934 120.570 0.071 0.000 2.752 90 I HA 0.520 4.691 4.170 0.002 0.000 0.287 90 I C 1.320 177.427 176.117 -0.017 0.000 1.188 90 I CA 1.023 62.335 61.300 0.021 0.000 1.427 90 I CB 0.624 38.622 38.000 -0.004 0.000 1.365 90 I HN 0.705 8.915 8.210 0.000 0.000 0.585 91 G N 3.990 112.762 108.800 -0.045 0.000 2.788 91 G HA2 0.454 4.415 3.960 0.002 0.000 0.293 91 G HA3 0.454 4.415 3.960 0.002 0.000 0.293 91 G C 0.336 175.200 174.900 -0.058 0.000 1.305 91 G CA -0.673 44.395 45.100 -0.054 0.000 1.005 91 G HN 0.552 8.842 8.290 0.000 0.000 0.496 92 K N -0.081 120.287 120.400 -0.053 0.000 1.988 92 K HA -0.094 4.227 4.320 0.002 0.000 0.221 92 K C 0.905 177.474 176.600 -0.052 0.000 1.053 92 K CA 1.366 57.625 56.287 -0.046 0.000 0.959 92 K CB -0.273 32.203 32.500 -0.040 0.000 0.728 92 K HN 0.559 8.809 8.250 0.000 0.000 0.447 93 E N 1.913 122.072 120.200 -0.068 0.000 2.458 93 E HA -0.026 4.325 4.350 0.002 0.000 0.264 93 E C -2.226 174.323 176.600 -0.086 0.000 1.097 93 E CA -1.163 55.191 56.400 -0.077 0.000 0.973 93 E CB -0.068 29.565 29.700 -0.113 0.000 0.963 93 E HN 0.187 8.547 8.360 0.000 0.000 0.451 94 P HA 0.017 4.437 4.420 0.000 0.000 0.276 94 P C 0.691 177.921 177.300 -0.117 0.000 1.244 94 P CA -0.406 62.681 63.100 -0.022 0.000 0.801 94 P CB 0.799 32.579 31.700 0.133 0.000 1.006 95 L N 1.749 122.903 121.223 -0.115 0.000 2.042 95 L HA -0.216 4.125 4.340 0.002 0.000 0.210 95 L C 2.653 179.427 176.870 -0.160 0.000 1.076 95 L CA 2.241 56.922 54.840 -0.266 0.000 0.749 95 L CB -2.506 39.503 42.059 -0.083 0.000 0.893 95 L HN 0.531 8.761 8.230 0.000 0.000 0.432 96 Y N 1.028 121.288 120.300 -0.065 0.000 2.348 96 Y HA -0.293 4.258 4.550 0.002 0.000 0.285 96 Y C 2.315 178.213 175.900 -0.003 0.000 1.173 96 Y CA 1.831 59.931 58.100 0.000 0.000 1.263 96 Y CB -1.122 37.338 38.460 -0.001 0.000 0.974 96 Y HN 0.129 8.409 8.280 0.000 0.000 0.547 97 T N -0.070 114.110 114.554 -0.622 0.000 2.643 97 T HA 0.292 4.643 4.350 0.002 0.000 0.264 97 T C 1.014 175.529 174.700 -0.308 0.000 1.045 97 T CA 1.504 63.233 62.100 -0.619 0.000 1.155 97 T CB -0.873 67.746 68.868 -0.414 0.000 0.863 97 T HN 0.720 8.960 8.240 0.000 0.000 0.420 98 G N -0.611 108.029 108.800 -0.266 0.000 2.323 98 G HA2 0.473 4.434 3.960 0.002 0.000 0.291 98 G HA3 0.473 4.434 3.960 0.002 0.000 0.291 98 G C -2.114 172.647 174.900 -0.232 0.000 1.278 98 G CA -1.001 44.054 45.100 -0.075 0.000 0.860 98 G HN 0.163 8.453 8.290 0.000 0.000 0.504 99 F N -0.597 119.332 119.950 -0.034 0.000 2.664 99 F HA 0.738 5.266 4.527 0.002 0.000 0.317 99 F C -0.124 175.650 175.800 -0.043 0.000 1.108 99 F CA -0.939 57.048 58.000 -0.022 0.000 0.957 99 F CB 2.535 41.549 39.000 0.022 0.000 1.365 99 F HN 0.052 8.352 8.300 0.000 0.000 0.475 100 K N 2.892 123.390 120.400 0.164 0.000 2.592 100 K HA 0.472 4.793 4.320 0.002 0.000 0.212 100 K C -1.023 175.664 176.600 0.144 0.000 1.013 100 K CA -0.011 56.295 56.287 0.031 0.000 1.034 100 K CB 0.988 33.391 32.500 -0.162 0.000 1.292 100 K HN 0.510 8.760 8.250 0.000 0.000 0.521 101 I N 2.684 123.370 120.570 0.194 0.000 2.499 101 I HA 0.360 4.531 4.170 0.002 0.000 0.296 101 I C 0.174 176.348 176.117 0.094 0.000 0.992 101 I CA -0.849 60.522 61.300 0.119 0.000 1.297 101 I CB 0.940 38.973 38.000 0.055 0.000 1.410 101 I HN 0.152 8.362 8.210 0.000 0.000 0.507 102 L N 4.780 125.993 121.223 -0.016 0.000 2.376 102 L HA 0.622 4.963 4.340 0.002 0.000 0.275 102 L C 0.068 176.847 176.870 -0.151 0.000 0.987 102 L CA -0.392 54.362 54.840 -0.144 0.000 0.828 102 L CB 1.828 43.764 42.059 -0.204 0.000 1.249 102 L HN 0.730 8.960 8.230 0.000 0.000 0.409 103 G N 2.166 110.859 108.800 -0.178 0.000 2.498 103 G HA2 0.889 4.850 3.960 0.002 0.000 0.312 103 G HA3 0.889 4.850 3.960 0.002 0.000 0.312 103 G C -1.411 173.412 174.900 -0.129 0.000 1.230 103 G CA -0.418 44.597 45.100 -0.142 0.000 0.968 103 G HN 0.774 9.064 8.290 0.000 0.000 0.481 104 A N 0.700 123.468 122.820 -0.087 0.000 2.590 104 A HA 0.648 4.969 4.320 0.002 0.000 0.296 104 A C -1.000 176.561 177.584 -0.039 0.000 1.050 104 A CA -0.817 51.170 52.037 -0.083 0.000 0.697 104 A CB 0.685 19.622 19.000 -0.106 0.000 1.277 104 A HN 1.737 9.887 8.150 0.000 0.000 0.411 105 H N -0.276 118.772 119.070 -0.037 0.000 2.467 105 H HA 0.701 5.258 4.556 0.002 0.000 0.331 105 H C 0.498 175.813 175.328 -0.021 0.000 1.120 105 H CA -0.326 55.705 56.048 -0.028 0.000 1.270 105 H CB 0.640 30.387 29.762 -0.025 0.000 1.466 105 H HN 0.683 8.963 8.280 0.000 0.000 0.504 106 I N -1.147 119.465 120.570 0.069 0.000 3.968 106 I HA 0.148 4.319 4.170 0.002 0.000 0.328 106 I C -0.329 175.837 176.117 0.081 0.000 1.290 106 I CA -0.508 60.797 61.300 0.008 0.000 1.163 106 I CB -0.087 37.903 38.000 -0.016 0.000 1.024 106 I HN 0.490 8.700 8.210 0.000 0.000 0.413 107 D N 1.659 122.186 120.400 0.212 0.000 2.329 107 D HA 0.389 5.030 4.640 0.002 0.000 0.246 107 D C -0.415 176.015 176.300 0.217 0.000 1.111 107 D CA -0.188 53.928 54.000 0.194 0.000 0.941 107 D CB 1.741 42.667 40.800 0.211 0.000 1.169 107 D HN 0.067 8.437 8.370 0.000 0.000 0.441 108 S N -0.036 115.762 115.700 0.164 0.000 2.541 108 S HA 0.464 4.935 4.470 0.002 0.000 0.271 108 S C -2.760 171.908 174.600 0.114 0.000 1.133 108 S CA -1.069 57.161 58.200 0.050 0.000 0.876 108 S CB 2.101 65.210 63.200 -0.151 0.000 1.105 108 S HN 0.462 8.772 8.310 0.000 0.000 0.470 109 P HA 0.261 4.681 4.420 0.000 0.000 0.265 109 P C -0.720 176.691 177.300 0.186 0.000 1.187 109 P CA 0.038 63.089 63.100 -0.080 0.000 0.766 109 P CB 0.202 31.694 31.700 -0.348 0.000 0.820 110 R N 1.345 121.885 120.500 0.066 0.000 2.789 110 R HA 0.571 4.912 4.340 0.002 0.000 0.279 110 R C -1.175 174.993 176.300 -0.220 0.000 1.010 110 R CA -0.986 55.062 56.100 -0.087 0.000 0.855 110 R CB -0.073 30.350 30.300 0.205 0.000 1.312 110 R HN 0.190 8.460 8.270 0.000 0.000 0.479 111 L N 0.574 121.642 121.223 -0.257 0.000 2.375 111 L HA 0.745 5.086 4.340 0.002 0.000 0.268 111 L C -0.873 175.983 176.870 -0.024 0.000 1.058 111 L CA -0.807 53.963 54.840 -0.116 0.000 0.803 111 L CB 1.411 43.419 42.059 -0.085 0.000 1.212 111 L HN 0.878 9.108 8.230 0.000 0.000 0.451 112 D N 0.708 121.109 120.400 0.002 0.000 2.726 112 D HA 0.245 4.886 4.640 0.002 0.000 0.203 112 D C -0.695 175.598 176.300 -0.011 0.000 1.297 112 D CA -0.623 53.366 54.000 -0.019 0.000 0.863 112 D CB 0.508 41.272 40.800 -0.061 0.000 1.669 112 D HN 0.302 8.671 8.370 0.000 0.000 0.561 113 L N 1.225 122.428 121.223 -0.034 0.000 2.667 113 L HA -0.077 4.264 4.340 0.002 0.000 0.296 113 L C 1.455 178.298 176.870 -0.045 0.000 1.252 113 L CA 0.372 55.179 54.840 -0.055 0.000 0.891 113 L CB -0.080 41.916 42.059 -0.104 0.000 1.141 113 L HN 0.289 8.519 8.230 0.000 0.000 0.501 114 K N 2.030 122.405 120.400 -0.043 0.000 2.332 114 K HA 0.042 4.363 4.320 0.002 0.000 0.246 114 K C 1.109 177.680 176.600 -0.048 0.000 1.066 114 K CA -0.631 55.632 56.287 -0.039 0.000 0.898 114 K CB 0.245 32.733 32.500 -0.020 0.000 1.192 114 K HN 0.549 8.799 8.250 0.000 0.000 0.509 115 Q N 0.665 120.444 119.800 -0.035 0.000 2.172 115 Q HA -0.059 4.283 4.340 0.002 0.000 0.200 115 Q C -0.053 175.954 176.000 0.011 0.000 0.964 115 Q CA 1.125 56.926 55.803 -0.004 0.000 0.855 115 Q CB 0.083 28.815 28.738 -0.009 0.000 0.918 115 Q HN 0.425 8.695 8.270 0.000 0.000 0.444 116 N N 0.475 119.157 118.700 -0.031 0.000 2.723 116 N HA 0.134 4.875 4.740 0.002 0.000 0.290 116 N C -2.041 173.410 175.510 -0.098 0.000 1.882 116 N CA -0.797 52.228 53.050 -0.042 0.000 0.851 116 N CB 1.233 39.718 38.487 -0.004 0.000 1.234 116 N HN 0.100 8.480 8.380 0.000 0.000 0.491 117 P HA -0.102 4.318 4.420 0.000 0.000 0.217 117 P C 0.658 177.878 177.300 -0.134 0.000 1.150 117 P CA 0.393 63.370 63.100 -0.204 0.000 0.832 117 P CB 0.757 32.242 31.700 -0.358 0.000 0.787 118 L N 1.406 122.452 121.223 -0.296 0.000 2.361 118 L HA 0.232 4.573 4.340 0.002 0.000 0.278 118 L C -0.324 176.581 176.870 0.057 0.000 1.113 118 L CA -0.573 54.174 54.840 -0.154 0.000 0.849 118 L CB -0.753 41.206 42.059 -0.166 0.000 1.155 118 L HN 0.065 8.295 8.230 0.000 0.000 0.452 119 Y N 2.098 122.362 120.300 -0.059 0.000 2.638 119 Y HA 0.627 5.178 4.550 0.002 0.000 0.335 119 Y C -1.345 174.553 175.900 -0.004 0.000 1.155 119 Y CA -1.218 56.867 58.100 -0.023 0.000 1.046 119 Y CB 1.071 39.514 38.460 -0.028 0.000 1.303 119 Y HN 0.609 8.889 8.280 0.000 0.000 0.460 120 E N 2.260 122.482 120.200 0.036 0.000 2.216 120 E HA 0.209 4.560 4.350 0.002 0.000 0.260 120 E C -2.005 174.648 176.600 0.088 0.000 0.880 120 E CA -0.627 55.740 56.400 -0.056 0.000 0.765 120 E CB 1.268 30.969 29.700 0.001 0.000 1.174 120 E HN 0.770 9.130 8.360 0.000 0.000 0.417 121 D N 3.704 124.131 120.400 0.046 0.000 2.481 121 D HA 0.147 4.788 4.640 0.002 0.000 0.246 121 D C -1.125 175.211 176.300 0.061 0.000 1.109 121 D CA -0.202 53.878 54.000 0.133 0.000 0.845 121 D CB 1.231 42.196 40.800 0.277 0.000 1.160 121 D HN 0.533 8.903 8.370 0.000 0.000 0.534 122 T N 4.667 119.252 114.554 0.052 0.000 2.851 122 T HA -0.165 4.186 4.350 0.002 0.000 0.470 122 T C 0.332 175.045 174.700 0.021 0.000 0.782 122 T CA 0.822 62.942 62.100 0.034 0.000 2.467 122 T CB -0.775 68.114 68.868 0.035 0.000 1.668 122 T HN 0.763 9.003 8.240 0.000 0.000 0.572 123 D N -1.347 119.064 120.400 0.018 0.000 4.508 123 D HA -0.265 4.376 4.640 0.002 0.000 0.178 123 D C 1.102 177.403 176.300 0.000 0.000 0.644 123 D CA 1.807 55.815 54.000 0.012 0.000 1.244 123 D CB -1.332 39.475 40.800 0.011 0.000 0.727 123 D HN 0.856 9.226 8.370 0.000 0.000 0.495 124 L N 0.072 121.291 121.223 -0.006 0.000 2.517 124 L HA 0.370 4.711 4.340 0.002 0.000 0.294 124 L C 0.466 177.296 176.870 -0.066 0.000 1.264 124 L CA 0.279 55.105 54.840 -0.024 0.000 0.839 124 L CB -0.055 41.993 42.059 -0.019 0.000 1.098 124 L HN 0.422 8.652 8.230 0.000 0.000 0.525 125 A N 2.744 125.508 122.820 -0.093 0.000 2.304 125 A HA 0.748 5.069 4.320 0.002 0.000 0.314 125 A C -0.254 177.168 177.584 -0.270 0.000 1.187 125 A CA -0.715 51.204 52.037 -0.196 0.000 0.810 125 A CB 1.290 20.217 19.000 -0.123 0.000 1.183 125 A HN 0.752 8.902 8.150 0.000 0.000 0.487 126 M N 0.834 120.090 119.600 -0.572 0.000 2.310 126 M HA 0.656 5.137 4.480 0.002 0.000 0.241 126 M C -0.821 175.216 176.300 -0.439 0.000 1.162 126 M CA -0.519 54.484 55.300 -0.496 0.000 0.958 126 M CB 0.620 32.925 32.600 -0.491 0.000 1.348 126 M HN 0.503 8.793 8.290 0.000 0.000 0.541 127 L N 1.063 122.190 121.223 -0.160 0.000 2.555 127 L HA 0.343 4.684 4.340 0.002 0.000 0.264 127 L C -1.015 175.907 176.870 0.087 0.000 0.972 127 L CA -0.294 54.512 54.840 -0.057 0.000 0.876 127 L CB 1.374 43.360 42.059 -0.121 0.000 1.216 127 L HN 0.502 8.732 8.230 0.000 0.000 0.415 128 E N 1.859 122.164 120.200 0.175 0.000 2.437 128 E HA 0.326 4.677 4.350 0.002 0.000 0.263 128 E C 0.115 176.740 176.600 0.042 0.000 1.030 128 E CA 0.302 56.769 56.400 0.112 0.000 0.934 128 E CB 0.763 30.487 29.700 0.041 0.000 0.943 128 E HN 0.663 9.023 8.360 0.000 0.000 0.444 129 T N -0.913 113.677 114.554 0.059 0.000 2.716 129 T HA 0.448 4.799 4.350 0.002 0.000 0.286 129 T C -0.581 174.200 174.700 0.135 0.000 1.052 129 T CA -0.812 61.329 62.100 0.069 0.000 1.024 129 T CB 2.093 70.998 68.868 0.061 0.000 1.349 129 T HN 0.526 8.766 8.240 0.000 0.000 0.525 130 H N 1.002 120.087 119.070 0.025 0.000 3.225 130 H HA 0.194 4.751 4.556 0.002 0.000 0.338 130 H C -1.326 174.006 175.328 0.007 0.000 1.433 130 H CA -0.835 55.230 56.048 0.028 0.000 1.648 130 H CB 0.073 29.813 29.762 -0.037 0.000 2.064 130 H HN 0.818 9.098 8.280 0.000 0.000 0.587 131 Y N 3.410 123.691 120.300 -0.031 0.000 2.890 131 Y HA 0.237 4.788 4.550 0.002 0.000 0.341 131 Y C -1.105 174.849 175.900 0.089 0.000 1.269 131 Y CA -0.262 57.801 58.100 -0.062 0.000 1.517 131 Y CB 0.013 38.368 38.460 -0.175 0.000 1.314 131 Y HN 0.477 8.757 8.280 0.000 0.000 0.622 132 Y N 2.644 122.847 120.300 -0.163 0.000 2.442 132 Y HA 0.566 5.118 4.550 0.002 0.000 0.344 132 Y C 0.596 176.401 175.900 -0.158 0.000 0.976 132 Y CA -0.693 57.290 58.100 -0.196 0.000 1.040 132 Y CB 1.948 40.329 38.460 -0.131 0.000 1.228 132 Y HN 1.143 9.423 8.280 0.000 0.000 0.451 133 G N 2.303 110.568 108.800 -0.893 0.000 2.234 133 G HA2 0.024 3.985 3.960 0.002 0.000 0.235 133 G HA3 0.024 3.985 3.960 0.002 0.000 0.235 133 G C 0.705 175.381 174.900 -0.373 0.000 0.997 133 G CA 0.190 44.804 45.100 -0.810 0.000 0.623 133 G HN 2.193 10.483 8.290 0.000 0.000 0.514 134 G N -0.366 108.345 108.800 -0.147 0.000 2.734 134 G HA2 0.108 4.069 3.960 0.002 0.000 0.277 134 G HA3 0.108 4.069 3.960 0.002 0.000 0.277 134 G C 0.614 175.486 174.900 -0.047 0.000 1.099 134 G CA 0.376 45.491 45.100 0.025 0.000 1.218 134 G HN 1.909 10.199 8.290 0.000 0.000 0.554 135 I N -1.868 118.615 120.570 -0.145 0.000 3.428 135 I HA 0.366 4.537 4.170 0.002 0.000 0.286 135 I C 2.067 177.981 176.117 -0.337 0.000 1.287 135 I CA 0.366 61.541 61.300 -0.208 0.000 1.396 135 I CB -0.190 37.556 38.000 -0.422 0.000 1.062 135 I HN 0.257 8.467 8.210 0.000 0.000 0.471 136 K N 1.466 121.561 120.400 -0.509 0.000 4.460 136 K HA -0.308 4.013 4.320 0.002 0.000 0.286 136 K C 0.530 176.744 176.600 -0.644 0.000 0.773 136 K CA 2.350 58.297 56.287 -0.566 0.000 1.065 136 K CB -1.289 31.093 32.500 -0.196 0.000 1.517 136 K HN 0.574 8.824 8.250 0.000 0.000 0.679 137 K N 1.122 121.327 120.400 -0.325 0.000 2.228 137 K HA 0.031 4.352 4.320 0.002 0.000 0.284 137 K C -0.254 176.275 176.600 -0.119 0.000 1.088 137 K CA 0.007 56.214 56.287 -0.134 0.000 0.941 137 K CB -0.119 32.368 32.500 -0.021 0.000 1.158 137 K HN 0.222 8.472 8.250 0.000 0.000 0.438 138 Y N 1.245 121.532 120.300 -0.022 0.000 2.544 138 Y HA -0.043 4.508 4.550 0.001 0.000 0.356 138 Y C 0.552 176.531 175.900 0.132 0.000 1.173 138 Y CA -0.073 58.025 58.100 -0.004 0.000 1.318 138 Y CB -0.188 38.202 38.460 -0.117 0.000 1.207 138 Y HN 0.408 8.688 8.280 0.000 0.000 0.490 139 Q N -0.883 119.074 119.800 0.262 0.000 3.179 139 Q HA 0.027 4.368 4.340 0.002 0.000 0.328 139 Q C -0.225 175.920 176.000 0.241 0.000 1.336 139 Q CA 0.172 56.096 55.803 0.203 0.000 0.939 139 Q CB -0.638 28.172 28.738 0.119 0.000 1.658 139 Q HN 0.542 8.812 8.270 0.000 0.000 0.486 140 W N -0.515 120.827 121.300 0.069 0.000 2.991 140 W HA 0.197 4.857 4.660 0.001 0.000 0.391 140 W C 0.772 177.337 176.519 0.077 0.000 1.054 140 W CA -0.342 57.045 57.345 0.071 0.000 1.856 140 W CB 0.412 29.909 29.460 0.061 0.000 1.132 140 W HN 0.180 8.360 8.180 0.000 0.000 0.601 141 V N -2.137 117.920 119.914 0.238 0.000 3.426 141 V HA -0.004 4.117 4.120 0.002 0.000 0.136 141 V C 1.877 178.042 176.094 0.118 0.000 0.973 141 V CA 1.405 63.806 62.300 0.168 0.000 1.351 141 V CB -1.582 30.315 31.823 0.125 0.000 0.996 141 V HN 0.049 8.239 8.190 0.000 0.000 0.373 142 T N 2.165 116.770 114.554 0.086 0.000 2.708 142 T HA -0.253 4.098 4.350 0.002 0.000 0.227 142 T C 0.884 175.620 174.700 0.060 0.000 1.277 142 T CA 2.564 64.702 62.100 0.063 0.000 1.075 142 T CB -1.223 67.671 68.868 0.044 0.000 0.791 142 T HN 0.915 9.155 8.240 0.000 0.000 0.495 143 L N 1.931 123.188 121.223 0.057 0.000 2.506 143 L HA 0.290 4.631 4.340 0.002 0.000 0.281 143 L C -2.768 174.149 176.870 0.078 0.000 1.228 143 L CA -1.733 53.144 54.840 0.061 0.000 0.850 143 L CB -1.155 40.948 42.059 0.074 0.000 1.110 143 L HN -0.019 8.211 8.230 0.000 0.000 0.496 144 P HA 0.265 4.685 4.420 0.000 0.000 0.264 144 P C -0.711 176.653 177.300 0.106 0.000 1.193 144 P CA -0.020 63.135 63.100 0.091 0.000 0.763 144 P CB 0.711 32.459 31.700 0.080 0.000 0.810 145 L N 2.812 124.121 121.223 0.143 0.000 2.319 145 L HA 0.796 5.138 4.340 0.002 0.000 0.267 145 L C 0.211 177.227 176.870 0.243 0.000 1.011 145 L CA -0.762 54.175 54.840 0.161 0.000 0.818 145 L CB 1.444 43.624 42.059 0.201 0.000 1.316 145 L HN 0.344 8.574 8.230 0.000 0.000 0.432 146 A N 2.236 125.173 122.820 0.195 0.000 2.413 146 A HA 0.875 5.196 4.320 0.002 0.000 0.307 146 A C -0.903 176.815 177.584 0.223 0.000 1.087 146 A CA -0.487 51.706 52.037 0.259 0.000 0.750 146 A CB 0.994 20.140 19.000 0.244 0.000 1.296 146 A HN 0.564 8.714 8.150 0.000 0.000 0.423 147 I N 1.630 122.290 120.570 0.150 0.000 2.359 147 I HA 0.470 4.641 4.170 0.002 0.000 0.294 147 I C -0.024 176.130 176.117 0.062 0.000 0.987 147 I CA -0.322 61.007 61.300 0.048 0.000 1.225 147 I CB 1.382 39.279 38.000 -0.172 0.000 1.366 147 I HN 0.782 8.992 8.210 0.000 0.000 0.466 148 H N 2.604 121.646 119.070 -0.047 0.000 3.436 148 H HA 0.866 5.423 4.556 0.002 0.000 0.312 148 H C 0.383 175.680 175.328 -0.051 0.000 1.675 148 H CA 0.052 56.079 56.048 -0.034 0.000 1.361 148 H CB 1.107 30.853 29.762 -0.028 0.000 1.731 148 H HN 0.796 9.076 8.280 0.000 0.000 0.732 149 G N -0.971 107.893 108.800 0.107 0.000 2.548 149 G HA2 0.120 4.081 3.960 0.002 0.000 0.208 149 G HA3 0.120 4.081 3.960 0.002 0.000 0.208 149 G C -1.342 173.542 174.900 -0.025 0.000 1.308 149 G CA -0.269 44.841 45.100 0.017 0.000 0.924 149 G HN 0.956 9.246 8.290 0.000 0.000 0.540 150 V N -0.283 119.602 119.914 -0.049 0.000 3.087 150 V HA 0.790 4.911 4.120 0.002 0.000 0.306 150 V C -0.717 175.320 176.094 -0.094 0.000 1.187 150 V CA -0.796 61.462 62.300 -0.070 0.000 0.999 150 V CB 1.859 33.655 31.823 -0.045 0.000 1.049 150 V HN 1.066 9.256 8.190 0.000 0.000 0.431 151 I N 5.013 125.504 120.570 -0.131 0.000 2.509 151 I HA 0.584 4.755 4.170 0.002 0.000 0.293 151 I C -0.858 175.189 176.117 -0.116 0.000 1.020 151 I CA -1.079 60.128 61.300 -0.155 0.000 1.088 151 I CB 2.136 39.974 38.000 -0.270 0.000 1.267 151 I HN 0.323 8.533 8.210 0.000 0.000 0.430 152 V N 5.985 125.841 119.914 -0.097 0.000 2.357 152 V HA 0.313 4.434 4.120 0.002 0.000 0.284 152 V C 0.296 176.347 176.094 -0.072 0.000 1.018 152 V CA -0.999 61.260 62.300 -0.069 0.000 0.841 152 V CB 1.270 33.064 31.823 -0.048 0.000 0.991 152 V HN 0.602 8.792 8.190 0.000 0.000 0.437 153 K N 3.042 123.405 120.400 -0.061 0.000 2.230 153 K HA 0.123 4.444 4.320 0.002 0.000 0.253 153 K C 1.250 177.826 176.600 -0.040 0.000 1.008 153 K CA -0.232 56.022 56.287 -0.055 0.000 0.910 153 K CB 0.992 33.468 32.500 -0.039 0.000 0.994 153 K HN 0.535 8.785 8.250 0.000 0.000 0.495 154 K N 1.416 121.795 120.400 -0.035 0.000 2.147 154 K HA -0.188 4.133 4.320 0.002 0.000 0.205 154 K C 0.969 177.558 176.600 -0.018 0.000 1.049 154 K CA 2.072 58.344 56.287 -0.024 0.000 0.936 154 K CB 0.014 32.503 32.500 -0.019 0.000 0.722 154 K HN 0.596 8.846 8.250 0.000 0.000 0.446 155 D N -1.489 118.900 120.400 -0.017 0.000 2.348 155 D HA -0.040 4.601 4.640 0.002 0.000 0.216 155 D C 1.142 177.435 176.300 -0.012 0.000 0.970 155 D CA 1.128 55.120 54.000 -0.012 0.000 0.889 155 D CB 0.049 40.843 40.800 -0.010 0.000 0.912 155 D HN 0.396 8.766 8.370 0.000 0.000 0.524 156 G N -0.989 107.801 108.800 -0.016 0.000 2.184 156 G HA2 -0.223 3.739 3.960 0.002 0.000 0.206 156 G HA3 -0.223 3.739 3.960 0.002 0.000 0.206 156 G C 0.266 175.157 174.900 -0.015 0.000 0.995 156 G CA 0.079 45.170 45.100 -0.015 0.000 0.651 156 G HN 0.415 8.705 8.290 0.000 0.000 0.511 157 T N 1.678 116.223 114.554 -0.016 0.000 2.817 157 T HA 0.441 4.792 4.350 0.002 0.000 0.295 157 T C 0.786 175.475 174.700 -0.018 0.000 0.958 157 T CA 0.355 62.447 62.100 -0.012 0.000 1.157 157 T CB 1.018 69.880 68.868 -0.009 0.000 0.898 157 T HN 0.295 8.535 8.240 0.000 0.000 0.536 158 I N 4.690 125.253 120.570 -0.013 0.000 2.312 158 I HA 0.248 4.419 4.170 0.002 0.000 0.291 158 I C 0.418 176.529 176.117 -0.010 0.000 1.031 158 I CA -0.685 60.604 61.300 -0.018 0.000 1.293 158 I CB 0.828 38.821 38.000 -0.013 0.000 1.403 158 I HN 0.388 8.598 8.210 0.000 0.000 0.484 159 V N 4.501 124.402 119.914 -0.022 0.000 2.435 159 V HA 0.528 4.650 4.120 0.002 0.000 0.290 159 V C -0.219 175.866 176.094 -0.015 0.000 1.030 159 V CA -0.741 61.563 62.300 0.007 0.000 0.881 159 V CB 1.487 33.321 31.823 0.018 0.000 0.983 159 V HN 0.575 8.765 8.190 0.000 0.000 0.445 160 N N 3.339 122.059 118.700 0.033 0.000 2.438 160 N HA 0.588 5.329 4.740 0.002 0.000 0.282 160 N C -0.783 174.753 175.510 0.044 0.000 1.037 160 N CA -0.277 52.783 53.050 0.016 0.000 0.942 160 N CB 2.061 40.563 38.487 0.025 0.000 1.136 160 N HN 0.664 9.044 8.380 0.000 0.000 0.481 161 V N 1.062 120.955 119.914 -0.036 0.000 2.495 161 V HA 0.423 4.544 4.120 0.002 0.000 0.298 161 V C -0.220 175.826 176.094 -0.080 0.000 1.031 161 V CA -0.693 61.581 62.300 -0.044 0.000 0.871 161 V CB 1.785 33.487 31.823 -0.201 0.000 0.988 161 V HN 0.835 9.025 8.190 0.000 0.000 0.432 162 C N 5.911 125.167 119.300 -0.073 0.000 3.309 162 C HA 0.593 5.054 4.460 0.002 0.000 0.335 162 C C -0.804 174.111 174.990 -0.125 0.000 1.018 162 C CA -0.218 58.641 59.018 -0.266 0.000 1.326 162 C CB -0.366 27.218 27.740 -0.261 0.000 1.752 162 C HN 0.684 8.914 8.230 0.000 0.000 0.567 163 V N 4.267 124.149 119.914 -0.053 0.000 2.513 163 V HA 0.868 4.989 4.120 0.002 0.000 0.299 163 V C 1.116 177.307 176.094 0.161 0.000 1.035 163 V CA 0.830 63.194 62.300 0.107 0.000 0.889 163 V CB 1.458 33.439 31.823 0.263 0.000 0.988 163 V HN 1.223 9.413 8.190 0.000 0.000 0.440 164 G N 3.034 111.915 108.800 0.135 0.000 2.179 164 G HA2 -0.166 3.795 3.960 0.002 0.000 0.220 164 G HA3 -0.166 3.795 3.960 0.002 0.000 0.220 164 G C 0.551 175.507 174.900 0.093 0.000 0.990 164 G CA 0.231 45.410 45.100 0.133 0.000 0.646 164 G HN 0.586 8.876 8.290 0.000 0.000 0.517 165 E N 0.711 120.947 120.200 0.061 0.000 2.099 165 E HA 0.072 4.424 4.350 0.002 0.000 0.191 165 E C 0.707 177.333 176.600 0.043 0.000 0.962 165 E CA 0.251 56.687 56.400 0.061 0.000 0.826 165 E CB -0.066 29.661 29.700 0.045 0.000 0.788 165 E HN 0.545 8.905 8.360 0.000 0.000 0.461 166 D N 2.044 122.460 120.400 0.027 0.000 2.399 166 D HA -0.036 4.606 4.640 0.002 0.000 0.241 166 D C 0.496 176.809 176.300 0.022 0.000 1.133 166 D CA 0.142 54.154 54.000 0.021 0.000 0.890 166 D CB 0.768 41.575 40.800 0.012 0.000 1.201 166 D HN -0.025 8.345 8.370 0.000 0.000 0.432 167 D N 0.951 121.363 120.400 0.020 0.000 2.389 167 D HA -0.112 4.529 4.640 0.002 0.000 0.221 167 D C 0.723 177.027 176.300 0.008 0.000 0.974 167 D CA 0.780 54.790 54.000 0.017 0.000 0.923 167 D CB 0.263 41.074 40.800 0.018 0.000 0.892 167 D HN 0.316 8.686 8.370 0.000 0.000 0.518 168 N N 0.526 119.229 118.700 0.005 0.000 2.184 168 N HA -0.005 4.736 4.740 0.002 0.000 0.206 168 N C -0.155 175.352 175.510 -0.006 0.000 1.151 168 N CA -0.049 53.000 53.050 -0.002 0.000 0.878 168 N CB 1.061 39.547 38.487 -0.002 0.000 1.014 168 N HN 0.116 8.496 8.380 0.000 0.000 0.512 169 D N 2.168 122.568 120.400 0.001 0.000 2.304 169 D HA 0.221 4.862 4.640 0.002 0.000 0.247 169 D C -1.797 174.488 176.300 -0.024 0.000 1.089 169 D CA -0.961 53.042 54.000 0.005 0.000 0.910 169 D CB 1.447 42.266 40.800 0.032 0.000 1.199 169 D HN 0.097 8.467 8.370 0.000 0.000 0.426 170 P HA 0.131 4.551 4.420 0.000 0.000 0.274 170 P C -0.373 176.771 177.300 -0.259 0.000 1.256 170 P CA -0.411 62.584 63.100 -0.176 0.000 0.795 170 P CB 0.910 32.472 31.700 -0.229 0.000 1.038 171 V N -2.960 116.714 119.914 -0.401 0.000 3.181 171 V HA 0.757 4.878 4.120 0.002 0.000 0.314 171 V C -0.645 175.013 176.094 -0.726 0.000 1.173 171 V CA -0.800 61.300 62.300 -0.332 0.000 1.052 171 V CB 1.361 33.132 31.823 -0.087 0.000 1.123 171 V HN 0.390 8.580 8.190 0.000 0.000 0.454 172 F N -0.903 119.072 119.950 0.042 0.000 2.675 172 F HA 1.019 5.547 4.527 0.001 0.000 0.324 172 F C 0.595 176.427 175.800 0.053 0.000 1.106 172 F CA 0.014 58.040 58.000 0.043 0.000 0.970 172 F CB 2.167 41.195 39.000 0.046 0.000 1.385 172 F HN 1.092 9.392 8.300 0.000 0.000 0.489 173 G N -0.371 108.586 108.800 0.262 0.000 2.356 173 G HA2 0.495 4.457 3.960 0.002 0.000 0.294 173 G HA3 0.495 4.457 3.960 0.002 0.000 0.294 173 G C -2.547 172.445 174.900 0.155 0.000 1.423 173 G CA -0.733 44.476 45.100 0.182 0.000 0.806 173 G HN 0.497 8.787 8.290 0.000 0.000 0.527 174 V N 1.281 121.282 119.914 0.145 0.000 2.427 174 V HA 0.626 4.747 4.120 0.002 0.000 0.286 174 V C 0.916 177.068 176.094 0.098 0.000 1.034 174 V CA -0.159 62.215 62.300 0.125 0.000 0.893 174 V CB 1.180 33.091 31.823 0.146 0.000 0.982 174 V HN 1.154 9.344 8.190 0.000 0.000 0.452 175 S N 2.871 118.618 115.700 0.078 0.000 2.645 175 S HA 0.647 5.118 4.470 0.002 0.000 0.266 175 S C -0.689 173.943 174.600 0.054 0.000 1.258 175 S CA -0.548 57.688 58.200 0.060 0.000 0.990 175 S CB 1.659 64.890 63.200 0.051 0.000 0.967 175 S HN 0.823 9.133 8.310 0.000 0.000 0.556 176 D N -0.568 119.858 120.400 0.044 0.000 2.937 176 D HA 0.316 4.957 4.640 0.002 0.000 0.215 176 D C -0.348 175.969 176.300 0.028 0.000 1.274 176 D CA -0.617 53.404 54.000 0.035 0.000 0.869 176 D CB 0.840 41.664 40.800 0.039 0.000 1.675 176 D HN 0.662 9.032 8.370 0.000 0.000 0.538 177 I N 2.409 122.993 120.570 0.023 0.000 3.017 177 I HA -0.026 4.145 4.170 0.002 0.000 0.310 177 I C 1.055 177.183 176.117 0.019 0.000 1.220 177 I CA -0.134 61.180 61.300 0.024 0.000 1.450 177 I CB -0.186 37.825 38.000 0.019 0.000 1.317 177 I HN 0.340 8.550 8.210 0.000 0.000 0.570 178 L N 5.013 126.255 121.223 0.031 0.000 2.467 178 L HA 0.189 4.530 4.340 0.002 0.000 0.270 178 L C 1.497 178.347 176.870 -0.033 0.000 1.205 178 L CA -0.883 53.967 54.840 0.018 0.000 0.828 178 L CB 0.708 42.829 42.059 0.103 0.000 1.101 178 L HN 0.669 8.899 8.230 0.000 0.000 0.479 179 V N -0.966 118.863 119.914 -0.142 0.000 2.568 179 V HA -0.262 3.859 4.120 0.002 0.000 0.253 179 V C 2.251 178.252 176.094 -0.154 0.000 1.072 179 V CA 1.745 63.943 62.300 -0.171 0.000 1.084 179 V CB -1.482 30.198 31.823 -0.238 0.000 0.676 179 V HN 0.975 9.165 8.190 0.000 0.000 0.469 180 H N 0.362 119.437 119.070 0.009 0.000 2.422 180 H HA 0.004 4.561 4.556 0.002 0.000 0.298 180 H C 1.544 176.876 175.328 0.007 0.000 1.098 180 H CA 2.044 58.096 56.048 0.007 0.000 1.315 180 H CB 0.078 29.844 29.762 0.007 0.000 1.382 180 H HN 0.464 8.744 8.280 0.000 0.000 0.523 181 L N -0.524 120.764 121.223 0.107 0.000 3.069 181 L HA 0.305 4.646 4.340 0.002 0.000 0.271 181 L C 1.771 178.660 176.870 0.033 0.000 1.201 181 L CA 0.163 55.041 54.840 0.064 0.000 1.015 181 L CB 0.412 42.508 42.059 0.061 0.000 1.371 181 L HN 0.041 8.271 8.230 0.000 0.000 0.574 182 A N -1.247 121.583 122.820 0.017 0.000 2.259 182 A HA 0.026 4.347 4.320 0.002 0.000 0.208 182 A C 2.283 179.869 177.584 0.004 0.000 1.201 182 A CA 0.985 53.025 52.037 0.005 0.000 0.824 182 A CB -0.257 18.738 19.000 -0.009 0.000 0.838 182 A HN 0.296 8.446 8.150 0.000 0.000 0.485 183 S N 0.369 116.075 115.700 0.010 0.000 2.368 183 S HA -0.274 4.197 4.470 0.002 0.000 0.226 183 S C 1.812 176.416 174.600 0.007 0.000 1.044 183 S CA 2.081 60.287 58.200 0.009 0.000 1.062 183 S CB -0.290 62.919 63.200 0.015 0.000 0.931 183 S HN 0.703 9.013 8.310 0.000 0.000 0.440 184 E N 0.312 120.516 120.200 0.007 0.000 2.333 184 E HA -0.077 4.274 4.350 0.002 0.000 0.198 184 E C 1.103 177.704 176.600 0.001 0.000 1.007 184 E CA 0.377 56.779 56.400 0.004 0.000 0.845 184 E CB 0.022 29.725 29.700 0.005 0.000 0.766 184 E HN 0.610 8.970 8.360 0.000 0.000 0.507 185 Q N 1.140 120.940 119.800 0.001 0.000 2.835 185 Q HA 0.119 4.460 4.340 0.002 0.000 0.235 185 Q C 0.554 176.554 176.000 -0.001 0.000 1.313 185 Q CA -0.216 55.586 55.803 -0.002 0.000 1.053 185 Q CB 0.171 28.908 28.738 -0.003 0.000 1.443 185 Q HN 0.394 8.664 8.270 0.000 0.000 0.576 186 L N -0.105 121.117 121.223 -0.000 0.000 2.885 186 L HA 0.532 4.873 4.340 0.002 0.000 0.251 186 L C 0.287 177.158 176.870 0.002 0.000 1.071 186 L CA -0.413 54.428 54.840 0.002 0.000 0.956 186 L CB 0.200 42.261 42.059 0.003 0.000 1.483 186 L HN 0.195 8.425 8.230 0.000 0.000 0.525 187 E N 3.109 123.308 120.200 -0.001 0.000 2.465 187 E HA 0.059 4.410 4.350 0.002 0.000 0.260 187 E C -0.511 176.088 176.600 -0.001 0.000 0.980 187 E CA 0.309 56.709 56.400 -0.001 0.000 0.927 187 E CB 0.251 29.948 29.700 -0.004 0.000 0.934 187 E HN 0.109 8.469 8.360 0.000 0.000 0.459 188 K N 3.512 123.913 120.400 0.002 0.000 5.135 188 K HA -0.278 4.043 4.320 0.002 0.000 0.556 188 K C 0.540 177.145 176.600 0.007 0.000 1.469 188 K CA 1.081 57.370 56.287 0.004 0.000 1.255 188 K CB -0.308 32.194 32.500 0.002 0.000 1.862 188 K HN 0.759 9.009 8.250 0.000 0.000 0.289 189 K N 2.323 122.730 120.400 0.012 0.000 2.209 189 K HA -0.125 4.197 4.320 0.002 0.000 0.204 189 K C 1.958 178.574 176.600 0.025 0.000 1.048 189 K CA 1.412 57.710 56.287 0.018 0.000 0.940 189 K CB -0.047 32.464 32.500 0.018 0.000 0.729 189 K HN 0.608 8.858 8.250 0.000 0.000 0.451 190 A N 0.265 123.098 122.820 0.020 0.000 1.985 190 A HA -0.159 4.162 4.320 0.002 0.000 0.223 190 A C 0.688 178.302 177.584 0.051 0.000 1.189 190 A CA 1.997 54.051 52.037 0.028 0.000 0.658 190 A CB -0.240 18.771 19.000 0.018 0.000 0.820 190 A HN 0.287 8.437 8.150 0.000 0.000 0.464 191 S N -3.092 112.624 115.700 0.028 0.000 2.354 191 S HA 0.375 4.846 4.470 0.002 0.000 0.306 191 S C -0.341 174.234 174.600 -0.041 0.000 0.900 191 S CA -0.328 57.874 58.200 0.003 0.000 0.921 191 S CB 0.970 64.162 63.200 -0.014 0.000 1.209 191 S HN 0.368 8.678 8.310 0.000 0.000 0.433 192 K N 2.089 122.462 120.400 -0.045 0.000 2.562 192 K HA 0.495 4.817 4.320 0.002 0.000 0.201 192 K C -1.069 175.488 176.600 -0.070 0.000 1.131 192 K CA 0.298 56.556 56.287 -0.049 0.000 1.059 192 K CB 1.054 33.542 32.500 -0.020 0.000 0.913 192 K HN 0.363 8.613 8.250 0.000 0.000 0.563 193 V N 1.860 121.702 119.914 -0.119 0.000 2.555 193 V HA 0.416 4.537 4.120 0.002 0.000 0.283 193 V C -0.343 175.496 176.094 -0.424 0.000 1.020 193 V CA -0.475 61.733 62.300 -0.153 0.000 0.883 193 V CB 1.460 33.262 31.823 -0.036 0.000 1.030 193 V HN 0.241 8.431 8.190 0.000 0.000 0.448 194 I N 1.655 121.936 120.570 -0.481 0.000 4.845 194 I HA 0.162 4.333 4.170 0.002 0.000 0.376 194 I C 1.406 177.228 176.117 -0.491 0.000 1.188 194 I CA 0.088 60.877 61.300 -0.851 0.000 1.390 194 I CB 0.461 38.015 38.000 -0.744 0.000 1.939 194 I HN 0.763 8.973 8.210 0.000 0.000 0.641 195 E N 1.698 121.737 120.200 -0.267 0.000 2.665 195 E HA -0.062 4.289 4.350 0.002 0.000 0.272 195 E C 0.459 176.990 176.600 -0.114 0.000 1.429 195 E CA 0.982 57.291 56.400 -0.151 0.000 1.219 195 E CB 0.201 29.848 29.700 -0.089 0.000 0.952 195 E HN 0.206 8.566 8.360 0.000 0.000 0.556 196 G N 0.169 108.933 108.800 -0.061 0.000 4.658 196 G HA2 0.105 4.066 3.960 0.002 0.000 0.279 196 G HA3 0.105 4.066 3.960 0.002 0.000 0.279 196 G C -0.612 174.293 174.900 0.008 0.000 0.997 196 G CA -0.349 44.739 45.100 -0.021 0.000 0.765 196 G HN 0.380 8.670 8.290 0.000 0.000 0.442 197 E N 1.437 121.646 120.200 0.016 0.000 4.170 197 E HA 0.204 4.555 4.350 0.002 0.000 0.215 197 E C -1.157 175.533 176.600 0.149 0.000 1.119 197 E CA -0.479 55.960 56.400 0.065 0.000 1.396 197 E CB 0.241 29.905 29.700 -0.060 0.000 1.182 197 E HN 0.464 8.824 8.360 0.000 0.000 0.438 198 D N -0.183 120.287 120.400 0.117 0.000 2.592 198 D HA 0.558 5.199 4.640 0.002 0.000 0.259 198 D C 0.258 176.619 176.300 0.102 0.000 1.144 198 D CA -1.304 52.760 54.000 0.105 0.000 1.080 198 D CB 0.833 41.678 40.800 0.076 0.000 1.225 198 D HN -0.048 8.322 8.370 0.000 0.000 0.619 199 L N 0.827 122.105 121.223 0.092 0.000 2.706 199 L HA -0.110 4.231 4.340 0.002 0.000 0.666 199 L C -1.404 175.504 176.870 0.063 0.000 1.021 199 L CA -0.271 54.625 54.840 0.093 0.000 1.360 199 L CB -1.745 40.366 42.059 0.087 0.000 1.957 199 L HN 0.801 9.031 8.230 0.000 0.000 0.920 200 N N 5.375 124.118 118.700 0.071 0.000 2.472 200 N HA 0.450 5.192 4.740 0.002 0.000 0.277 200 N C 1.119 176.711 175.510 0.137 0.000 1.081 200 N CA -0.228 52.843 53.050 0.037 0.000 0.973 200 N CB 1.070 39.564 38.487 0.012 0.000 1.105 200 N HN 0.788 9.168 8.380 0.000 0.000 0.470 201 I N -1.091 119.555 120.570 0.126 0.000 3.956 201 I HA 0.325 4.496 4.170 0.002 0.000 0.333 201 I C -0.100 176.125 176.117 0.180 0.000 1.302 201 I CA -0.393 61.084 61.300 0.294 0.000 1.122 201 I CB -0.207 37.937 38.000 0.239 0.000 1.013 201 I HN 0.483 8.693 8.210 0.000 0.000 0.405 202 L N -0.835 120.431 121.223 0.072 0.000 2.735 202 L HA 0.604 4.945 4.340 0.002 0.000 0.258 202 L C -1.661 175.215 176.870 0.010 0.000 0.920 202 L CA -0.730 54.133 54.840 0.038 0.000 0.958 202 L CB 1.377 43.465 42.059 0.048 0.000 1.499 202 L HN -0.035 8.195 8.230 0.000 0.000 0.441 203 I N 1.735 122.308 120.570 0.005 0.000 3.501 203 I HA 0.908 5.079 4.170 0.002 0.000 0.297 203 I C 1.659 177.779 176.117 0.004 0.000 1.199 203 I CA 1.095 62.396 61.300 0.001 0.000 0.987 203 I CB 1.718 39.718 38.000 -0.001 0.000 1.365 203 I HN 0.987 9.197 8.210 0.000 0.000 0.574 204 G N 1.064 109.867 108.800 0.005 0.000 3.318 204 G HA2 -0.398 3.563 3.960 0.002 0.000 0.519 204 G HA3 -0.398 3.563 3.960 0.002 0.000 0.519 204 G C 0.605 175.512 174.900 0.011 0.000 0.920 204 G CA 1.071 46.176 45.100 0.008 0.000 0.758 204 G HN 1.161 9.451 8.290 0.000 0.000 1.160 205 S N -0.615 115.091 115.700 0.010 0.000 3.348 205 S HA -0.227 4.244 4.470 0.002 0.000 0.366 205 S C 0.304 174.915 174.600 0.019 0.000 0.953 205 S CA 1.031 59.238 58.200 0.012 0.000 1.255 205 S CB -1.234 61.972 63.200 0.009 0.000 0.906 205 S HN 1.271 9.581 8.310 0.000 0.000 0.495 206 I N 1.160 121.744 120.570 0.022 0.000 2.330 206 I HA 0.617 4.788 4.170 0.002 0.000 0.289 206 I C -2.258 173.880 176.117 0.035 0.000 1.001 206 I CA -1.761 59.558 61.300 0.032 0.000 1.193 206 I CB 2.028 40.045 38.000 0.028 0.000 1.345 206 I HN 0.078 8.288 8.210 0.000 0.000 0.461 207 P HA 0.259 4.679 4.420 0.000 0.000 0.295 207 P C -1.575 175.762 177.300 0.062 0.000 1.074 207 P CA -0.374 62.767 63.100 0.068 0.000 0.668 207 P CB 1.299 33.067 31.700 0.113 0.000 1.696 208 L N 1.382 122.666 121.223 0.102 0.000 2.257 208 L HA 0.430 4.771 4.340 0.002 0.000 0.290 208 L C 0.362 177.289 176.870 0.095 0.000 1.044 208 L CA -0.040 54.837 54.840 0.062 0.000 0.810 208 L CB -0.310 41.730 42.059 -0.032 0.000 1.193 208 L HN 0.267 8.497 8.230 0.000 0.000 0.425 209 K N 2.584 123.017 120.400 0.054 0.000 3.185 209 K HA -0.268 4.054 4.320 0.002 0.000 0.298 209 K C 0.021 176.651 176.600 0.049 0.000 1.178 209 K CA 1.154 57.469 56.287 0.047 0.000 0.882 209 K CB -1.902 30.628 32.500 0.050 0.000 1.218 209 K HN 0.952 9.202 8.250 0.000 0.000 0.454 210 D N -1.728 118.708 120.400 0.059 0.000 2.701 210 D HA -0.176 4.465 4.640 0.002 0.000 0.235 210 D C 0.666 176.989 176.300 0.039 0.000 1.155 210 D CA 1.529 55.558 54.000 0.048 0.000 0.649 210 D CB -1.785 39.034 40.800 0.031 0.000 1.050 210 D HN 0.606 8.976 8.370 0.000 0.000 0.425 211 G N 0.200 109.030 108.800 0.050 0.000 3.574 211 G HA2 0.197 4.158 3.960 0.002 0.000 0.262 211 G HA3 0.197 4.158 3.960 0.002 0.000 0.262 211 G C 0.724 175.617 174.900 -0.011 0.000 1.231 211 G CA -0.043 45.070 45.100 0.023 0.000 1.608 211 G HN 0.173 8.463 8.290 0.000 0.000 0.628 212 E N 0.450 120.648 120.200 -0.005 0.000 3.454 212 E HA -0.281 4.070 4.350 0.002 0.000 0.262 212 E C 0.343 176.912 176.600 -0.050 0.000 1.466 212 E CA 1.413 57.801 56.400 -0.020 0.000 2.118 212 E CB -0.812 28.874 29.700 -0.023 0.000 2.041 212 E HN 0.741 9.101 8.360 0.000 0.000 0.490 213 E N 0.508 120.672 120.200 -0.060 0.000 6.890 213 E HA -0.224 4.127 4.350 0.002 0.000 0.195 213 E C 0.421 176.994 176.600 -0.044 0.000 1.108 213 E CA 0.913 57.262 56.400 -0.085 0.000 1.547 213 E CB -0.360 29.219 29.700 -0.201 0.000 0.935 213 E HN 0.452 8.812 8.360 0.000 0.000 0.290 214 K N 1.955 122.342 120.400 -0.021 0.000 2.054 214 K HA -0.294 4.028 4.320 0.002 0.000 0.227 214 K C 0.783 177.391 176.600 0.013 0.000 1.019 214 K CA 2.555 58.841 56.287 -0.000 0.000 0.978 214 K CB -0.368 32.135 32.500 0.005 0.000 0.782 214 K HN 0.633 8.883 8.250 0.000 0.000 0.454 215 Q N 1.310 121.121 119.800 0.019 0.000 3.107 215 Q HA 0.029 4.370 4.340 0.002 0.000 0.268 215 Q C 0.610 176.651 176.000 0.067 0.000 1.382 215 Q CA 0.096 55.925 55.803 0.044 0.000 0.927 215 Q CB 0.066 28.838 28.738 0.056 0.000 1.755 215 Q HN 0.261 8.531 8.270 0.000 0.000 0.545 216 K N 0.053 120.487 120.400 0.058 0.000 2.001 216 K HA -0.125 4.196 4.320 0.002 0.000 0.208 216 K C 1.839 178.499 176.600 0.099 0.000 1.048 216 K CA 1.130 57.470 56.287 0.088 0.000 0.932 216 K CB 0.054 32.589 32.500 0.058 0.000 0.715 216 K HN 0.204 8.454 8.250 0.000 0.000 0.437 217 V N 2.274 122.223 119.914 0.059 0.000 2.324 217 V HA -0.316 3.805 4.120 0.002 0.000 0.250 217 V C 2.408 178.529 176.094 0.045 0.000 1.060 217 V CA 1.879 64.203 62.300 0.041 0.000 1.042 217 V CB -0.480 31.354 31.823 0.017 0.000 0.650 217 V HN 0.377 8.567 8.190 0.000 0.000 0.450 218 K N -0.342 120.091 120.400 0.054 0.000 1.985 218 K HA -0.278 4.043 4.320 0.002 0.000 0.210 218 K C 2.319 178.977 176.600 0.098 0.000 1.047 218 K CA 2.096 58.418 56.287 0.058 0.000 0.932 218 K CB -0.393 32.145 32.500 0.064 0.000 0.716 218 K HN 0.564 8.814 8.250 0.000 0.000 0.439 219 H N 0.815 119.903 119.070 0.030 0.000 2.357 219 H HA -0.199 4.358 4.556 0.002 0.000 0.296 219 H C 1.900 177.250 175.328 0.037 0.000 1.108 219 H CA 2.467 58.536 56.048 0.035 0.000 1.273 219 H CB -0.463 29.317 29.762 0.028 0.000 1.367 219 H HN 0.415 8.695 8.280 0.000 0.000 0.498 220 N N -0.408 118.293 118.700 0.002 0.000 2.084 220 N HA -0.139 4.602 4.740 0.002 0.000 0.190 220 N C 1.925 177.408 175.510 -0.044 0.000 1.030 220 N CA 1.440 54.459 53.050 -0.051 0.000 0.849 220 N CB -0.447 38.047 38.487 0.012 0.000 1.012 220 N HN 0.388 8.768 8.380 0.000 0.000 0.423 221 I N -0.022 120.550 120.570 0.003 0.000 2.286 221 I HA -0.127 4.044 4.170 0.002 0.000 0.248 221 I C 2.136 178.278 176.117 0.041 0.000 1.115 221 I CA 0.987 62.307 61.300 0.033 0.000 1.392 221 I CB -0.429 37.602 38.000 0.052 0.000 1.065 221 I HN 0.288 8.498 8.210 0.000 0.000 0.418 222 M N 0.480 120.095 119.600 0.026 0.000 2.117 222 M HA -0.227 4.254 4.480 0.002 0.000 0.262 222 M C 2.193 178.487 176.300 -0.010 0.000 1.065 222 M CA 1.767 57.093 55.300 0.044 0.000 1.114 222 M CB -0.700 31.930 32.600 0.051 0.000 1.361 222 M HN 0.138 8.428 8.290 0.000 0.000 0.408 223 K N 0.346 120.687 120.400 -0.099 0.000 2.057 223 K HA -0.142 4.179 4.320 0.002 0.000 0.207 223 K C 1.889 178.467 176.600 -0.037 0.000 1.049 223 K CA 1.828 58.051 56.287 -0.107 0.000 0.931 223 K CB -0.646 31.736 32.500 -0.196 0.000 0.714 223 K HN 0.499 8.749 8.250 0.000 0.000 0.440 224 I N 1.086 121.647 120.570 -0.016 0.000 2.226 224 I HA -0.274 3.897 4.170 0.002 0.000 0.245 224 I C 2.300 178.447 176.117 0.049 0.000 1.100 224 I CA 0.678 61.986 61.300 0.014 0.000 1.374 224 I CB -0.165 37.854 38.000 0.031 0.000 1.057 224 I HN 0.090 8.300 8.210 0.000 0.000 0.413 225 L N 0.845 122.121 121.223 0.088 0.000 2.376 225 L HA -0.143 4.199 4.340 0.002 0.000 0.219 225 L C 1.979 178.939 176.870 0.150 0.000 1.133 225 L CA 1.426 56.366 54.840 0.168 0.000 0.816 225 L CB -0.771 41.389 42.059 0.168 0.000 0.933 225 L HN 0.262 8.492 8.230 0.000 0.000 0.449 226 N N -0.639 118.098 118.700 0.062 0.000 2.251 226 N HA -0.140 4.601 4.740 0.002 0.000 0.181 226 N C 1.703 177.222 175.510 0.015 0.000 1.019 226 N CA 1.089 54.160 53.050 0.035 0.000 0.862 226 N CB 0.123 38.610 38.487 0.001 0.000 0.992 226 N HN 0.324 8.704 8.380 0.000 0.000 0.429 227 E N 0.120 120.315 120.200 -0.008 0.000 2.038 227 E HA -0.127 4.224 4.350 0.002 0.000 0.195 227 E C 0.169 176.719 176.600 -0.082 0.000 1.000 227 E CA 1.047 57.424 56.400 -0.038 0.000 0.803 227 E CB -0.011 29.665 29.700 -0.041 0.000 0.750 227 E HN 0.382 8.742 8.360 0.000 0.000 0.448 228 K N 0.007 120.324 120.400 -0.139 0.000 2.168 228 K HA 0.185 4.506 4.320 0.002 0.000 0.258 228 K C -0.351 176.063 176.600 -0.311 0.000 1.010 228 K CA -0.210 55.842 56.287 -0.393 0.000 0.929 228 K CB 0.526 32.621 32.500 -0.675 0.000 0.998 228 K HN 0.044 8.294 8.250 0.000 0.000 0.479 229 Y N -0.279 120.001 120.300 -0.033 0.000 2.904 229 Y HA -0.438 4.113 4.550 0.002 0.000 0.466 229 Y C 0.702 176.573 175.900 -0.050 0.000 1.202 229 Y CA 1.086 59.157 58.100 -0.048 0.000 2.492 229 Y CB -0.770 37.651 38.460 -0.066 0.000 1.237 229 Y HN 0.776 9.056 8.280 0.000 0.000 0.633 230 D N -0.294 120.193 120.400 0.146 0.000 3.941 230 D HA 0.177 4.819 4.640 0.002 0.000 0.254 230 D C -0.835 175.465 176.300 -0.001 0.000 1.536 230 D CA 0.513 54.539 54.000 0.043 0.000 0.788 230 D CB -0.844 39.969 40.800 0.022 0.000 1.432 230 D HN 0.610 8.980 8.370 0.000 0.000 0.733 231 I N -1.304 119.251 120.570 -0.025 0.000 3.078 231 I HA 0.752 4.924 4.170 0.002 0.000 0.318 231 I C 0.540 176.597 176.117 -0.100 0.000 1.016 231 I CA -0.566 60.660 61.300 -0.123 0.000 1.130 231 I CB 1.511 39.339 38.000 -0.287 0.000 1.397 231 I HN 0.036 8.246 8.210 0.000 0.000 0.570 232 S N -0.151 115.472 115.700 -0.130 0.000 2.745 232 S HA 0.339 4.810 4.470 0.002 0.000 0.306 232 S C 0.549 175.121 174.600 -0.047 0.000 1.137 232 S CA -0.695 57.473 58.200 -0.054 0.000 0.900 232 S CB 1.631 64.818 63.200 -0.022 0.000 1.176 232 S HN 0.776 9.086 8.310 0.000 0.000 0.520 233 E N 0.461 120.703 120.200 0.070 0.000 2.153 233 E HA -0.136 4.215 4.350 0.002 0.000 0.194 233 E C 1.004 177.737 176.600 0.222 0.000 0.988 233 E CA 0.929 57.453 56.400 0.207 0.000 0.811 233 E CB -0.014 29.792 29.700 0.178 0.000 0.746 233 E HN 0.718 9.078 8.360 0.000 0.000 0.466 234 E N -0.481 119.770 120.200 0.086 0.000 4.471 234 E HA -0.117 4.234 4.350 0.002 0.000 0.438 234 E C 0.307 176.893 176.600 -0.023 0.000 1.497 234 E CA 0.426 56.864 56.400 0.063 0.000 2.657 234 E CB 0.404 30.119 29.700 0.025 0.000 1.488 234 E HN -0.060 8.300 8.360 0.000 0.000 0.743 235 D N -1.698 118.672 120.400 -0.050 0.000 3.177 235 D HA -0.274 4.367 4.640 0.002 0.000 0.179 235 D C 1.143 177.368 176.300 -0.124 0.000 1.613 235 D CA 1.997 55.917 54.000 -0.133 0.000 2.105 235 D CB -1.515 39.132 40.800 -0.254 0.000 1.351 235 D HN 0.415 8.785 8.370 0.000 0.000 0.417 236 F N 1.005 120.931 119.950 -0.040 0.000 2.202 236 F HA -0.165 4.363 4.527 0.002 0.000 0.301 236 F C 2.609 178.382 175.800 -0.045 0.000 1.082 236 F CA 1.127 59.098 58.000 -0.049 0.000 1.313 236 F CB -0.066 38.911 39.000 -0.037 0.000 1.024 236 F HN 0.000 8.300 8.300 0.000 0.000 0.495 237 V N -0.618 119.382 119.914 0.143 0.000 2.392 237 V HA -0.280 3.841 4.120 0.002 0.000 0.249 237 V C 1.639 177.748 176.094 0.026 0.000 1.059 237 V CA 2.049 64.388 62.300 0.066 0.000 1.051 237 V CB -0.871 30.976 31.823 0.041 0.000 0.658 237 V HN 0.440 8.630 8.190 0.000 0.000 0.455 238 S N -0.850 114.854 115.700 0.006 0.000 2.481 238 S HA 0.713 5.184 4.470 0.002 0.000 0.243 238 S C -0.001 174.581 174.600 -0.031 0.000 1.152 238 S CA 0.058 58.247 58.200 -0.018 0.000 1.168 238 S CB 0.375 63.558 63.200 -0.028 0.000 0.835 238 S HN 0.507 8.817 8.310 0.000 0.000 0.474 239 A N 0.827 123.643 122.820 -0.007 0.000 2.312 239 A HA 0.864 5.185 4.320 0.002 0.000 0.310 239 A C -0.454 177.121 177.584 -0.015 0.000 1.139 239 A CA -0.721 51.306 52.037 -0.016 0.000 0.886 239 A CB 1.025 20.049 19.000 0.040 0.000 1.350 239 A HN 0.348 8.498 8.150 0.000 0.000 0.479 240 E N 0.605 120.790 120.200 -0.026 0.000 2.593 240 E HA 0.452 4.803 4.350 0.002 0.000 0.232 240 E C -1.101 175.478 176.600 -0.036 0.000 1.026 240 E CA -0.618 55.757 56.400 -0.042 0.000 0.772 240 E CB -0.083 29.586 29.700 -0.052 0.000 1.310 240 E HN 0.529 8.889 8.360 0.000 0.000 0.413 241 L N 1.426 122.628 121.223 -0.034 0.000 2.653 241 L HA 0.270 4.611 4.340 0.002 0.000 0.288 241 L C -0.098 176.742 176.870 -0.049 0.000 1.243 241 L CA 0.691 55.508 54.840 -0.038 0.000 0.906 241 L CB 0.034 42.063 42.059 -0.050 0.000 1.154 241 L HN 0.292 8.522 8.230 0.000 0.000 0.498 242 E N 3.852 124.034 120.200 -0.030 0.000 2.640 242 E HA 0.378 4.729 4.350 0.002 0.000 0.360 242 E C -1.428 175.178 176.600 0.010 0.000 1.014 242 E CA -0.283 56.110 56.400 -0.012 0.000 0.757 242 E CB 1.275 30.987 29.700 0.019 0.000 1.565 242 E HN 0.553 8.913 8.360 0.000 0.000 0.381 243 I N 2.102 122.676 120.570 0.007 0.000 2.354 243 I HA 0.414 4.585 4.170 0.002 0.000 0.292 243 I C -0.175 175.978 176.117 0.060 0.000 0.989 243 I CA -0.821 60.504 61.300 0.042 0.000 1.188 243 I CB 1.754 39.791 38.000 0.062 0.000 1.342 243 I HN 0.105 8.315 8.210 0.000 0.000 0.457 244 V N 7.837 127.738 119.914 -0.022 0.000 3.049 244 V HA 0.550 4.671 4.120 0.002 0.000 0.309 244 V C -2.336 173.578 176.094 -0.300 0.000 1.148 244 V CA -1.767 60.366 62.300 -0.279 0.000 0.990 244 V CB 2.964 34.412 31.823 -0.624 0.000 1.039 244 V HN 0.545 8.735 8.190 0.000 0.000 0.430 245 P HA 0.171 4.591 4.420 0.000 0.000 0.266 245 P C -0.739 176.421 177.300 -0.234 0.000 1.195 245 P CA 0.197 63.061 63.100 -0.393 0.000 0.768 245 P CB 0.769 32.058 31.700 -0.685 0.000 0.838 246 A N 2.519 125.337 122.820 -0.002 0.000 2.302 246 A HA 0.737 5.058 4.320 0.002 0.000 0.285 246 A C 0.605 178.298 177.584 0.182 0.000 1.105 246 A CA 0.200 52.286 52.037 0.082 0.000 0.816 246 A CB -0.061 19.010 19.000 0.118 0.000 1.067 246 A HN 0.882 9.032 8.150 0.000 0.000 0.489 247 G N 0.669 109.567 108.800 0.163 0.000 2.640 247 G HA2 0.090 4.051 3.960 0.002 0.000 0.686 247 G HA3 0.090 4.051 3.960 0.002 0.000 0.686 247 G C -0.831 174.195 174.900 0.210 0.000 1.229 247 G CA -0.605 44.638 45.100 0.239 0.000 0.796 247 G HN 0.877 9.167 8.290 0.000 0.000 0.654 248 K N 0.801 121.293 120.400 0.153 0.000 2.202 248 K HA 0.684 5.005 4.320 0.002 0.000 0.264 248 K C 0.969 177.650 176.600 0.135 0.000 1.010 248 K CA 0.066 56.381 56.287 0.047 0.000 0.940 248 K CB 1.142 33.623 32.500 -0.031 0.000 0.983 248 K HN 1.194 9.444 8.250 0.000 0.000 0.475 249 A N 2.327 125.134 122.820 -0.022 0.000 2.448 249 A HA 0.194 4.515 4.320 0.002 0.000 0.239 249 A C -0.023 177.720 177.584 0.265 0.000 1.080 249 A CA 0.045 52.165 52.037 0.139 0.000 0.779 249 A CB 0.311 19.293 19.000 -0.030 0.000 1.026 249 A HN 0.610 8.760 8.150 0.000 0.000 0.499 250 R N 0.043 120.857 120.500 0.524 0.000 2.869 250 R HA 0.334 4.675 4.340 0.002 0.000 0.263 250 R C -1.515 175.063 176.300 0.462 0.000 1.066 250 R CA -0.932 55.529 56.100 0.602 0.000 0.960 250 R CB 0.873 31.343 30.300 0.283 0.000 1.221 250 R HN 0.757 9.027 8.270 0.000 0.000 0.474 251 D N 1.355 121.876 120.400 0.200 0.000 2.348 251 D HA 0.098 4.739 4.640 0.002 0.000 0.253 251 D C -0.794 175.575 176.300 0.116 0.000 1.161 251 D CA 0.449 54.490 54.000 0.068 0.000 0.876 251 D CB 0.466 41.230 40.800 -0.060 0.000 1.160 251 D HN 0.235 8.605 8.370 0.000 0.000 0.459 252 Y N 1.449 121.777 120.300 0.047 0.000 2.330 252 Y HA 0.446 4.998 4.550 0.002 0.000 0.336 252 Y C 0.499 176.397 175.900 -0.004 0.000 1.036 252 Y CA 0.235 58.345 58.100 0.017 0.000 1.125 252 Y CB 1.196 39.690 38.460 0.056 0.000 1.194 252 Y HN 0.607 8.887 8.280 0.000 0.000 0.469 253 G N 4.171 112.607 108.800 -0.607 0.000 2.675 253 G HA2 -0.242 3.719 3.960 0.002 0.000 0.686 253 G HA3 -0.242 3.719 3.960 0.002 0.000 0.686 253 G C -0.383 174.386 174.900 -0.218 0.000 1.215 253 G CA -0.536 44.338 45.100 -0.375 0.000 0.777 253 G HN 0.580 8.870 8.290 0.000 0.000 0.638 254 F N 0.852 120.706 119.950 -0.158 0.000 2.333 254 F HA 0.038 4.566 4.527 0.002 0.000 0.300 254 F C 2.363 178.101 175.800 -0.103 0.000 1.083 254 F CA 2.043 59.972 58.000 -0.119 0.000 1.395 254 F CB 0.142 39.081 39.000 -0.101 0.000 1.056 254 F HN 0.590 8.890 8.300 0.000 0.000 0.529 255 D N -1.477 118.972 120.400 0.082 0.000 2.402 255 D HA 0.051 4.692 4.640 0.002 0.000 0.216 255 D C 0.510 176.791 176.300 -0.033 0.000 1.128 255 D CA -0.223 53.771 54.000 -0.009 0.000 0.833 255 D CB -0.546 40.205 40.800 -0.082 0.000 0.971 255 D HN 0.095 8.465 8.370 0.000 0.000 0.503 256 R N 0.099 120.594 120.500 -0.008 0.000 3.502 256 R HA -0.194 4.147 4.340 0.002 0.000 0.266 256 R C 0.763 177.103 176.300 0.067 0.000 1.077 256 R CA 0.903 57.008 56.100 0.007 0.000 0.718 256 R CB -2.444 27.842 30.300 -0.023 0.000 1.120 256 R HN 0.481 8.751 8.270 0.000 0.000 0.457 257 S N -1.510 114.239 115.700 0.082 0.000 2.501 257 S HA 0.106 4.577 4.470 0.002 0.000 0.220 257 S C 0.877 175.688 174.600 0.351 0.000 0.997 257 S CA 0.115 58.432 58.200 0.194 0.000 0.919 257 S CB 0.346 63.545 63.200 -0.002 0.000 0.778 257 S HN 0.269 8.579 8.310 0.000 0.000 0.523 258 M N 0.770 120.542 119.600 0.286 0.000 2.796 258 M HA 0.628 5.109 4.480 0.002 0.000 0.303 258 M C -1.451 175.022 176.300 0.288 0.000 1.240 258 M CA -0.797 54.685 55.300 0.304 0.000 0.831 258 M CB 2.435 35.230 32.600 0.325 0.000 1.750 258 M HN -0.132 8.158 8.290 0.000 0.000 0.484 259 V N 1.200 121.269 119.914 0.258 0.000 2.577 259 V HA 0.517 4.638 4.120 0.002 0.000 0.303 259 V C -1.014 175.221 176.094 0.235 0.000 1.042 259 V CA -0.612 61.855 62.300 0.279 0.000 0.872 259 V CB 1.817 33.809 31.823 0.282 0.000 0.998 259 V HN 0.883 9.073 8.190 0.000 0.000 0.423 260 M N 4.053 123.835 119.600 0.303 0.000 2.205 260 M HA 0.819 5.301 4.480 0.002 0.000 0.344 260 M C -0.027 176.531 176.300 0.429 0.000 1.085 260 M CA 0.108 55.577 55.300 0.282 0.000 1.001 260 M CB 1.392 34.169 32.600 0.294 0.000 1.626 260 M HN 0.919 9.209 8.290 0.000 0.000 0.442 261 G N 2.901 111.917 108.800 0.360 0.000 2.489 261 G HA2 0.260 4.221 3.960 0.002 0.000 0.291 261 G HA3 0.260 4.221 3.960 0.002 0.000 0.291 261 G C -2.641 172.218 174.900 -0.068 0.000 1.487 261 G CA -0.725 44.499 45.100 0.206 0.000 0.795 261 G HN 0.714 9.004 8.290 0.000 0.000 0.513 262 Y N 0.585 120.622 120.300 -0.439 0.000 2.301 262 Y HA 0.451 5.002 4.550 0.001 0.000 0.328 262 Y C 1.403 177.176 175.900 -0.212 0.000 1.242 262 Y CA 1.438 59.285 58.100 -0.421 0.000 1.323 262 Y CB 1.541 39.656 38.460 -0.575 0.000 1.266 262 Y HN 1.906 10.186 8.280 0.000 0.000 0.527 263 G N 3.420 111.540 108.800 -1.134 0.000 2.234 263 G HA2 -0.344 3.617 3.960 0.002 0.000 0.260 263 G HA3 -0.344 3.617 3.960 0.002 0.000 0.260 263 G C 1.111 175.812 174.900 -0.331 0.000 0.987 263 G CA 0.586 45.225 45.100 -0.768 0.000 0.625 263 G HN 0.646 8.936 8.290 0.000 0.000 0.532 264 Q N 0.465 120.129 119.800 -0.227 0.000 2.207 264 Q HA -0.200 4.142 4.340 0.002 0.000 0.215 264 Q C 1.100 177.044 176.000 -0.092 0.000 1.006 264 Q CA 1.558 57.296 55.803 -0.109 0.000 0.903 264 Q CB -0.434 28.270 28.738 -0.057 0.000 0.947 264 Q HN 0.739 9.009 8.270 0.000 0.000 0.414 265 D N 1.004 121.352 120.400 -0.087 0.000 2.455 265 D HA -0.098 4.543 4.640 0.002 0.000 0.265 265 D C 0.387 176.630 176.300 -0.095 0.000 1.284 265 D CA 0.845 54.834 54.000 -0.019 0.000 0.944 265 D CB 0.210 41.077 40.800 0.112 0.000 1.121 265 D HN 0.197 8.567 8.370 0.000 0.000 0.525 266 D N 2.368 122.688 120.400 -0.133 0.000 2.463 266 D HA -0.320 4.321 4.640 0.002 0.000 0.165 266 D C 1.440 177.605 176.300 -0.225 0.000 1.471 266 D CA 1.936 55.772 54.000 -0.272 0.000 1.333 266 D CB -0.760 39.574 40.800 -0.776 0.000 1.227 266 D HN 0.577 8.947 8.370 0.000 0.000 0.427 267 R N 0.475 120.863 120.500 -0.186 0.000 2.193 267 R HA -0.015 4.326 4.340 0.002 0.000 0.229 267 R C 2.566 178.853 176.300 -0.022 0.000 1.110 267 R CA 1.440 57.472 56.100 -0.113 0.000 0.988 267 R CB -0.330 29.897 30.300 -0.122 0.000 0.871 267 R HN 0.596 8.866 8.270 0.000 0.000 0.458 268 I N -0.586 119.974 120.570 -0.017 0.000 2.406 268 I HA -0.275 3.896 4.170 0.002 0.000 0.249 268 I C 1.644 177.827 176.117 0.111 0.000 1.122 268 I CA 1.015 62.348 61.300 0.054 0.000 1.431 268 I CB 0.023 38.040 38.000 0.028 0.000 1.087 268 I HN 0.314 8.524 8.210 0.000 0.000 0.424 269 C N 0.980 120.316 119.300 0.060 0.000 2.466 269 C HA 0.016 4.477 4.460 0.002 0.000 0.278 269 C C 3.063 178.146 174.990 0.156 0.000 1.288 269 C CA 0.850 59.947 59.018 0.133 0.000 1.722 269 C CB -1.201 26.587 27.740 0.080 0.000 2.017 269 C HN 0.664 8.894 8.230 0.000 0.000 0.488 270 A N -1.102 121.750 122.820 0.052 0.000 2.024 270 A HA -0.223 4.098 4.320 0.002 0.000 0.220 270 A C 1.898 179.552 177.584 0.118 0.000 1.164 270 A CA 1.710 53.769 52.037 0.036 0.000 0.643 270 A CB -0.706 18.272 19.000 -0.038 0.000 0.806 270 A HN 0.707 8.857 8.150 0.000 0.000 0.451 271 Y N 1.172 121.507 120.300 0.059 0.000 2.177 271 Y HA -0.128 4.423 4.550 0.002 0.000 0.291 271 Y C 2.990 179.022 175.900 0.221 0.000 1.117 271 Y CA 2.303 60.470 58.100 0.112 0.000 1.114 271 Y CB -0.702 37.797 38.460 0.064 0.000 1.017 271 Y HN 0.420 8.700 8.280 0.000 0.000 0.505 272 T N -1.667 113.024 114.554 0.227 0.000 2.720 272 T HA -0.243 4.108 4.350 0.002 0.000 0.268 272 T C 2.102 176.943 174.700 0.234 0.000 1.037 272 T CA 1.917 64.110 62.100 0.156 0.000 1.144 272 T CB -1.250 67.666 68.868 0.081 0.000 0.864 272 T HN 0.460 8.700 8.240 0.000 0.000 0.444 273 S N 1.066 116.987 115.700 0.369 0.000 2.399 273 S HA -0.081 4.390 4.470 0.002 0.000 0.231 273 S C 1.711 176.377 174.600 0.110 0.000 1.022 273 S CA 0.852 59.194 58.200 0.237 0.000 0.983 273 S CB -1.022 62.158 63.200 -0.034 0.000 0.803 273 S HN 0.503 8.813 8.310 0.000 0.000 0.480 274 F N 2.751 122.637 119.950 -0.106 0.000 2.039 274 F HA 0.034 4.562 4.527 0.002 0.000 0.294 274 F C 2.465 178.157 175.800 -0.180 0.000 1.130 274 F CA 1.791 59.683 58.000 -0.181 0.000 1.189 274 F CB -0.705 38.124 39.000 -0.286 0.000 0.983 274 F HN 0.151 8.451 8.300 0.000 0.000 0.471 275 E N 0.429 120.466 120.200 -0.271 0.000 2.070 275 E HA -0.290 4.061 4.350 0.002 0.000 0.197 275 E C 2.328 178.830 176.600 -0.163 0.000 1.004 275 E CA 1.233 57.460 56.400 -0.289 0.000 0.805 275 E CB -0.605 28.998 29.700 -0.163 0.000 0.744 275 E HN 0.517 8.877 8.360 0.000 0.000 0.451 276 A N 1.438 124.231 122.820 -0.045 0.000 1.859 276 A HA -0.267 4.054 4.320 0.002 0.000 0.217 276 A C 2.187 179.758 177.584 -0.021 0.000 1.198 276 A CA 2.179 54.230 52.037 0.023 0.000 0.629 276 A CB -0.590 18.502 19.000 0.154 0.000 0.830 276 A HN 0.261 8.411 8.150 0.000 0.000 0.446 277 M N -0.414 119.153 119.600 -0.055 0.000 2.159 277 M HA -0.066 4.415 4.480 0.002 0.000 0.263 277 M C 1.932 178.169 176.300 -0.105 0.000 1.063 277 M CA 1.815 57.079 55.300 -0.060 0.000 1.110 277 M CB -0.621 31.939 32.600 -0.067 0.000 1.374 277 M HN 0.452 8.742 8.290 0.000 0.000 0.411 278 L N 0.408 121.458 121.223 -0.289 0.000 1.976 278 L HA -0.180 4.161 4.340 0.002 0.000 0.209 278 L C 1.739 178.558 176.870 -0.086 0.000 1.071 278 L CA 2.056 56.725 54.840 -0.284 0.000 0.746 278 L CB -0.652 41.034 42.059 -0.622 0.000 0.890 278 L HN 0.582 8.812 8.230 0.000 0.000 0.432 279 E N -0.357 119.793 120.200 -0.082 0.000 2.301 279 E HA -0.060 4.291 4.350 0.002 0.000 0.195 279 E C 0.235 176.837 176.600 0.004 0.000 1.171 279 E CA -0.190 56.200 56.400 -0.018 0.000 1.142 279 E CB -0.104 29.593 29.700 -0.004 0.000 1.218 279 E HN 0.246 8.606 8.360 0.000 0.000 0.448 280 M N 3.270 122.875 119.600 0.009 0.000 2.080 280 M HA 0.198 4.679 4.480 0.002 0.000 0.350 280 M C -0.756 175.556 176.300 0.020 0.000 1.143 280 M CA -0.286 55.026 55.300 0.019 0.000 1.064 280 M CB 0.836 33.451 32.600 0.026 0.000 1.429 280 M HN 0.153 8.443 8.290 0.000 0.000 0.418 281 K N 2.924 123.332 120.400 0.013 0.000 2.221 281 K HA 0.420 4.741 4.320 0.002 0.000 0.243 281 K C -0.034 176.565 176.600 -0.000 0.000 0.968 281 K CA -0.795 55.495 56.287 0.005 0.000 0.846 281 K CB 1.274 33.777 32.500 0.006 0.000 1.141 281 K HN 0.640 8.890 8.250 0.000 0.000 0.434 282 N N 0.371 119.067 118.700 -0.008 0.000 2.522 282 N HA -0.191 4.550 4.740 0.002 0.000 0.281 282 N C -1.681 173.819 175.510 -0.016 0.000 1.267 282 N CA 0.744 53.787 53.050 -0.012 0.000 0.675 282 N CB -0.695 37.787 38.487 -0.008 0.000 0.890 282 N HN 0.852 9.232 8.380 0.000 0.000 0.542 283 A N 3.138 125.945 122.820 -0.022 0.000 2.290 283 A HA 0.413 4.734 4.320 0.002 0.000 0.310 283 A C 1.131 178.689 177.584 -0.043 0.000 1.202 283 A CA -0.559 51.459 52.037 -0.030 0.000 0.837 283 A CB 1.217 20.203 19.000 -0.024 0.000 1.139 283 A HN 0.529 8.679 8.150 0.000 0.000 0.509 284 K N 1.197 121.564 120.400 -0.055 0.000 2.044 284 K HA 0.063 4.384 4.320 0.002 0.000 0.204 284 K C 0.335 176.884 176.600 -0.085 0.000 1.045 284 K CA 1.199 57.449 56.287 -0.063 0.000 0.951 284 K CB 0.009 32.471 32.500 -0.063 0.000 0.738 284 K HN 0.686 8.936 8.250 0.000 0.000 0.443 285 K N 1.383 121.721 120.400 -0.104 0.000 2.323 285 K HA 0.170 4.491 4.320 0.002 0.000 0.259 285 K C -1.181 175.336 176.600 -0.139 0.000 0.947 285 K CA -0.225 55.976 56.287 -0.143 0.000 0.819 285 K CB 1.424 33.828 32.500 -0.159 0.000 1.109 285 K HN -0.121 8.129 8.250 0.000 0.000 0.429 286 T N 3.379 117.827 114.554 -0.176 0.000 2.800 286 T HA -0.044 4.307 4.350 0.002 0.000 0.283 286 T C 0.314 174.986 174.700 -0.046 0.000 0.999 286 T CA -0.051 61.977 62.100 -0.120 0.000 1.176 286 T CB -0.987 67.766 68.868 -0.192 0.000 0.973 286 T HN 0.652 8.892 8.240 0.000 0.000 0.519 287 C N 4.311 123.637 119.300 0.043 0.000 2.493 287 C HA 0.922 5.384 4.460 0.002 0.000 0.326 287 C C -0.121 174.920 174.990 0.084 0.000 1.200 287 C CA -1.439 57.626 59.018 0.079 0.000 1.739 287 C CB 0.049 27.803 27.740 0.023 0.000 2.300 287 C HN 0.968 9.198 8.230 0.000 0.000 0.500 288 I N -0.766 119.829 120.570 0.042 0.000 2.769 288 I HA 0.684 4.855 4.170 0.002 0.000 0.298 288 I C -0.639 175.430 176.117 -0.080 0.000 1.128 288 I CA -0.379 60.847 61.300 -0.124 0.000 1.031 288 I CB 2.270 39.989 38.000 -0.467 0.000 1.235 288 I HN 0.620 8.830 8.210 0.000 0.000 0.423 289 T N 6.123 120.624 114.554 -0.088 0.000 2.779 289 T HA 0.647 4.998 4.350 0.002 0.000 0.280 289 T C -0.216 174.464 174.700 -0.033 0.000 0.987 289 T CA -0.282 61.791 62.100 -0.045 0.000 0.966 289 T CB 1.066 69.930 68.868 -0.006 0.000 0.933 289 T HN 0.386 8.626 8.240 0.000 0.000 0.442 290 I N 3.951 124.500 120.570 -0.035 0.000 2.441 290 I HA 0.512 4.683 4.170 0.002 0.000 0.295 290 I C -0.644 175.462 176.117 -0.019 0.000 0.994 290 I CA -0.934 60.359 61.300 -0.011 0.000 1.144 290 I CB 1.667 39.640 38.000 -0.045 0.000 1.314 290 I HN 0.333 8.543 8.210 0.000 0.000 0.445 291 L N 7.229 128.455 121.223 0.005 0.000 2.485 291 L HA 0.480 4.821 4.340 0.002 0.000 0.260 291 L C -0.287 176.592 176.870 0.014 0.000 0.998 291 L CA -0.612 54.226 54.840 -0.004 0.000 0.883 291 L CB 1.422 43.470 42.059 -0.019 0.000 1.196 291 L HN 0.447 8.677 8.230 0.000 0.000 0.443 292 V N -1.531 118.397 119.914 0.024 0.000 3.284 292 V HA 0.751 4.872 4.120 0.002 0.000 0.309 292 V C -0.649 175.483 176.094 0.064 0.000 1.190 292 V CA -0.488 61.834 62.300 0.036 0.000 1.038 292 V CB 2.177 34.013 31.823 0.022 0.000 1.198 292 V HN 0.680 8.870 8.190 0.000 0.000 0.465 293 D N -1.575 118.856 120.400 0.053 0.000 2.846 293 D HA 0.343 4.985 4.640 0.002 0.000 0.273 293 D C -0.151 176.174 176.300 0.041 0.000 1.145 293 D CA -0.433 53.609 54.000 0.070 0.000 1.091 293 D CB 1.204 42.039 40.800 0.058 0.000 1.364 293 D HN 0.492 8.862 8.370 0.000 0.000 0.613 294 K N -0.717 119.729 120.400 0.076 0.000 3.472 294 K HA -0.201 4.120 4.320 0.002 0.000 0.315 294 K C 1.133 177.710 176.600 -0.039 0.000 1.320 294 K CA 1.284 57.618 56.287 0.078 0.000 0.962 294 K CB -1.439 31.088 32.500 0.045 0.000 1.251 294 K HN 0.704 8.954 8.250 0.000 0.000 0.443 295 E N 1.687 121.806 120.200 -0.135 0.000 2.051 295 E HA -0.171 4.180 4.350 0.002 0.000 0.192 295 E C 1.100 177.517 176.600 -0.306 0.000 0.991 295 E CA 1.251 57.491 56.400 -0.266 0.000 0.799 295 E CB 0.188 29.580 29.700 -0.514 0.000 0.748 295 E HN 0.343 8.703 8.360 0.000 0.000 0.449 296 E N 0.290 120.254 120.200 -0.394 0.000 2.401 296 E HA -0.086 4.265 4.350 0.002 0.000 0.199 296 E C 1.639 178.004 176.600 -0.392 0.000 1.023 296 E CA 0.323 56.495 56.400 -0.381 0.000 0.859 296 E CB 0.201 29.624 29.700 -0.462 0.000 0.780 296 E HN 0.120 8.480 8.360 0.000 0.000 0.523 297 V N -1.062 118.662 119.914 -0.316 0.000 3.528 297 V HA 0.254 4.375 4.120 0.002 0.000 0.294 297 V C 1.107 177.132 176.094 -0.115 0.000 1.404 297 V CA 0.995 63.145 62.300 -0.249 0.000 1.065 297 V CB 0.746 32.499 31.823 -0.116 0.000 0.904 297 V HN 0.373 8.563 8.190 0.000 0.000 0.435 298 G N -0.705 108.037 108.800 -0.098 0.000 2.485 298 G HA2 -0.172 3.790 3.960 0.002 0.000 0.181 298 G HA3 -0.172 3.790 3.960 0.002 0.000 0.181 298 G C 0.437 175.313 174.900 -0.039 0.000 0.999 298 G CA 0.213 45.282 45.100 -0.051 0.000 0.721 298 G HN 0.890 9.180 8.290 0.000 0.000 0.486 299 S N -0.636 115.032 115.700 -0.053 0.000 3.672 299 S HA -0.225 4.247 4.470 0.002 0.000 0.319 299 S C 0.827 175.406 174.600 -0.036 0.000 1.151 299 S CA 1.165 59.333 58.200 -0.054 0.000 0.911 299 S CB -2.368 60.782 63.200 -0.084 0.000 0.939 299 S HN 2.077 10.387 8.310 0.000 0.000 0.524 300 I N 0.136 120.694 120.570 -0.019 0.000 3.494 300 I HA 0.620 4.791 4.170 0.002 0.000 0.266 300 I C 1.505 177.616 176.117 -0.010 0.000 1.264 300 I CA 0.162 61.455 61.300 -0.012 0.000 1.230 300 I CB -0.537 37.459 38.000 -0.006 0.000 1.420 300 I HN 0.197 8.406 8.210 0.000 0.000 0.675 301 G N -0.196 108.601 108.800 -0.006 0.000 2.590 301 G HA2 0.409 4.370 3.960 0.002 0.000 0.276 301 G HA3 0.409 4.370 3.960 0.002 0.000 0.276 301 G C 0.730 175.635 174.900 0.007 0.000 1.337 301 G CA 0.765 45.866 45.100 0.002 0.000 1.030 301 G HN 1.919 10.209 8.290 0.000 0.000 0.534 302 A N -2.530 120.300 122.820 0.016 0.000 1.475 302 A HA -0.228 4.093 4.320 0.002 0.000 0.222 302 A C 1.506 179.105 177.584 0.026 0.000 0.487 302 A CA 2.756 54.804 52.037 0.019 0.000 1.107 302 A CB -2.008 16.997 19.000 0.007 0.000 1.460 302 A HN 2.189 10.339 8.150 0.000 0.000 0.719 303 T N -3.772 110.794 114.554 0.020 0.000 3.604 303 T HA 0.608 4.959 4.350 0.002 0.000 0.305 303 T C 0.832 175.545 174.700 0.021 0.000 0.978 303 T CA 0.881 62.997 62.100 0.026 0.000 0.999 303 T CB 0.278 69.157 68.868 0.018 0.000 1.204 303 T HN 1.994 10.234 8.240 0.000 0.000 0.476 304 G N 1.191 109.998 108.800 0.012 0.000 2.917 304 G HA2 0.261 4.222 3.960 0.002 0.000 0.202 304 G HA3 0.261 4.222 3.960 0.002 0.000 0.202 304 G C 0.727 175.608 174.900 -0.032 0.000 1.302 304 G CA 0.060 45.154 45.100 -0.010 0.000 0.685 304 G HN 0.358 8.648 8.290 0.000 0.000 0.914 305 M N 2.055 121.634 119.600 -0.035 0.000 2.371 305 M HA 0.273 4.754 4.480 0.002 0.000 0.246 305 M C 0.835 177.129 176.300 -0.011 0.000 1.103 305 M CA -0.027 55.239 55.300 -0.056 0.000 1.010 305 M CB 0.126 32.684 32.600 -0.069 0.000 1.457 305 M HN 0.337 8.627 8.290 0.000 0.000 0.486 306 Q N 0.052 119.866 119.800 0.024 0.000 2.839 306 Q HA 0.025 4.366 4.340 0.002 0.000 0.229 306 Q C 0.588 176.660 176.000 0.121 0.000 1.140 306 Q CA 0.586 56.426 55.803 0.063 0.000 1.077 306 Q CB -0.373 28.408 28.738 0.072 0.000 1.335 306 Q HN 0.112 8.382 8.270 0.000 0.000 0.610 307 S N -0.903 114.893 115.700 0.160 0.000 2.556 307 S HA 0.015 4.486 4.470 0.002 0.000 0.216 307 S C 1.138 175.913 174.600 0.290 0.000 0.970 307 S CA -0.179 58.186 58.200 0.274 0.000 0.912 307 S CB 0.032 63.402 63.200 0.283 0.000 0.790 307 S HN 0.522 8.832 8.310 0.000 0.000 0.504 308 K N 1.606 122.134 120.400 0.213 0.000 2.189 308 K HA -0.194 4.127 4.320 0.002 0.000 0.207 308 K C 1.501 178.247 176.600 0.242 0.000 1.046 308 K CA 1.509 57.909 56.287 0.189 0.000 0.928 308 K CB -0.380 32.215 32.500 0.158 0.000 0.720 308 K HN 0.503 8.753 8.250 0.000 0.000 0.458 309 F N -0.130 119.905 119.950 0.141 0.000 2.220 309 F HA -0.038 4.490 4.527 0.002 0.000 0.290 309 F C 2.034 177.928 175.800 0.156 0.000 1.080 309 F CA 0.555 58.635 58.000 0.133 0.000 1.318 309 F CB -0.558 38.499 39.000 0.096 0.000 1.063 309 F HN -0.025 8.275 8.300 0.000 0.000 0.498 310 F N 2.559 122.654 119.950 0.242 0.000 2.000 310 F HA -0.191 4.337 4.527 0.002 0.000 0.296 310 F C 1.786 177.549 175.800 -0.063 0.000 1.159 310 F CA 1.949 59.994 58.000 0.075 0.000 1.183 310 F CB -1.205 37.941 39.000 0.242 0.000 0.959 310 F HN 0.221 8.521 8.300 0.000 0.000 0.490 311 E N 0.275 120.488 120.200 0.022 0.000 2.860 311 E HA 0.035 4.386 4.350 0.002 0.000 0.318 311 E C 0.419 176.963 176.600 -0.093 0.000 1.481 311 E CA 0.289 56.617 56.400 -0.121 0.000 1.613 311 E CB -0.744 28.971 29.700 0.025 0.000 1.279 311 E HN 0.493 8.853 8.360 0.000 0.000 0.489 312 N N 0.522 119.119 118.700 -0.172 0.000 2.142 312 N HA -0.074 4.667 4.740 0.002 0.000 0.303 312 N C 0.833 176.223 175.510 -0.200 0.000 0.961 312 N CA 0.648 53.621 53.050 -0.129 0.000 0.683 312 N CB 0.021 38.502 38.487 -0.009 0.000 2.023 312 N HN 0.180 8.560 8.380 0.000 0.000 0.826 313 T N 0.913 115.294 114.554 -0.289 0.000 2.915 313 T HA 0.026 4.377 4.350 0.002 0.000 0.269 313 T C 1.884 176.456 174.700 -0.213 0.000 1.071 313 T CA 1.345 63.299 62.100 -0.243 0.000 1.132 313 T CB 0.190 68.716 68.868 -0.570 0.000 0.878 313 T HN 0.023 8.263 8.240 0.000 0.000 0.479 314 V N 1.661 121.408 119.914 -0.279 0.000 2.273 314 V HA -0.022 4.099 4.120 0.002 0.000 0.242 314 V C 2.906 178.891 176.094 -0.182 0.000 1.035 314 V CA 1.430 63.590 62.300 -0.232 0.000 1.013 314 V CB -1.236 30.401 31.823 -0.310 0.000 0.652 314 V HN 0.470 8.660 8.190 0.000 0.000 0.452 315 A N -0.597 122.113 122.820 -0.184 0.000 2.139 315 A HA -0.309 4.012 4.320 0.002 0.000 0.221 315 A C 2.086 179.561 177.584 -0.181 0.000 1.159 315 A CA 2.108 54.053 52.037 -0.154 0.000 0.662 315 A CB -0.504 18.418 19.000 -0.132 0.000 0.796 315 A HN 0.639 8.789 8.150 0.000 0.000 0.463 316 D N -0.854 119.404 120.400 -0.237 0.000 2.323 316 D HA 0.049 4.690 4.640 0.002 0.000 0.218 316 D C 1.786 177.979 176.300 -0.179 0.000 0.973 316 D CA 0.338 54.157 54.000 -0.301 0.000 0.890 316 D CB 0.063 40.496 40.800 -0.612 0.000 1.011 316 D HN 0.441 8.811 8.370 0.000 0.000 0.499 317 I N 1.268 121.769 120.570 -0.116 0.000 2.454 317 I HA -0.213 3.958 4.170 0.002 0.000 0.254 317 I C 2.580 178.660 176.117 -0.062 0.000 1.156 317 I CA 0.428 61.700 61.300 -0.047 0.000 1.433 317 I CB -0.118 37.874 38.000 -0.012 0.000 1.082 317 I HN 0.114 8.324 8.210 0.000 0.000 0.432 318 M N 0.024 119.572 119.600 -0.087 0.000 2.149 318 M HA -0.149 4.332 4.480 0.002 0.000 0.261 318 M C 1.207 177.465 176.300 -0.070 0.000 1.064 318 M CA 1.488 56.743 55.300 -0.076 0.000 1.102 318 M CB 0.119 32.669 32.600 -0.084 0.000 1.369 318 M HN 0.081 8.371 8.290 0.000 0.000 0.408 326 E N -0.053 120.126 120.200 -0.035 0.000 2.872 326 E HA 0.196 4.547 4.350 0.002 0.000 0.221 326 E C 0.272 176.850 176.600 -0.036 0.000 1.119 326 E CA -0.480 55.897 56.400 -0.038 0.000 1.048 326 E CB 0.487 30.165 29.700 -0.036 0.000 2.574 326 E HN -0.075 8.285 8.360 0.000 0.000 0.568 327 L N 3.214 124.420 121.223 -0.029 0.000 2.685 327 L HA -0.184 4.157 4.340 0.002 0.000 0.305 327 L C 1.573 178.435 176.870 -0.013 0.000 1.258 327 L CA 0.784 55.612 54.840 -0.021 0.000 0.876 327 L CB -0.002 42.047 42.059 -0.017 0.000 1.124 327 L HN 0.490 8.720 8.230 0.000 0.000 0.507 328 K N 3.139 123.535 120.400 -0.005 0.000 2.037 328 K HA -0.325 3.996 4.320 0.002 0.000 0.229 328 K C 1.663 178.281 176.600 0.030 0.000 1.040 328 K CA 2.822 59.117 56.287 0.012 0.000 0.981 328 K CB -0.606 31.920 32.500 0.042 0.000 0.749 328 K HN 0.750 9.000 8.250 0.000 0.000 0.451 329 L N -4.121 117.124 121.223 0.036 0.000 4.252 329 L HA -0.434 3.907 4.340 0.002 0.000 0.370 329 L C 0.888 177.810 176.870 0.086 0.000 0.743 329 L CA 3.293 58.164 54.840 0.052 0.000 2.767 329 L CB -1.030 41.065 42.059 0.060 0.000 0.809 329 L HN 0.361 8.591 8.230 0.000 0.000 0.696 330 R N -1.458 119.103 120.500 0.101 0.000 1.384 330 R HA -0.318 4.023 4.340 0.002 0.000 0.053 330 R C 1.627 178.032 176.300 0.175 0.000 0.951 330 R CA 2.435 58.618 56.100 0.138 0.000 1.970 330 R CB -2.166 28.206 30.300 0.119 0.000 0.294 330 R HN 0.640 8.910 8.270 0.000 0.000 0.723 331 K N 1.026 121.532 120.400 0.176 0.000 2.184 331 K HA -0.171 4.150 4.320 0.002 0.000 0.210 331 K C 2.041 178.800 176.600 0.264 0.000 1.048 331 K CA 2.448 58.878 56.287 0.239 0.000 0.931 331 K CB -0.728 31.920 32.500 0.245 0.000 0.718 331 K HN 0.575 8.825 8.250 0.000 0.000 0.465 332 A N 0.523 123.493 122.820 0.250 0.000 1.881 332 A HA -0.261 4.060 4.320 0.002 0.000 0.219 332 A C 2.185 179.984 177.584 0.358 0.000 1.215 332 A CA 2.251 54.481 52.037 0.322 0.000 0.648 332 A CB -0.842 18.354 19.000 0.328 0.000 0.832 332 A HN 0.271 8.421 8.150 0.000 0.000 0.455 333 L N -3.137 118.196 121.223 0.182 0.000 2.095 333 L HA -0.088 4.253 4.340 0.002 0.000 0.204 333 L C 2.564 179.540 176.870 0.177 0.000 1.080 333 L CA 1.382 56.263 54.840 0.069 0.000 0.759 333 L CB -0.717 41.231 42.059 -0.185 0.000 0.914 333 L HN 0.529 8.759 8.230 0.000 0.000 0.439 334 Y N 1.482 121.854 120.300 0.120 0.000 2.241 334 Y HA -0.246 4.305 4.550 0.002 0.000 0.286 334 Y C 1.912 177.865 175.900 0.089 0.000 1.166 334 Y CA 1.518 59.690 58.100 0.121 0.000 1.203 334 Y CB -0.175 38.355 38.460 0.117 0.000 0.977 334 Y HN 0.228 8.508 8.280 0.000 0.000 0.529 335 N N 0.264 119.041 118.700 0.129 0.000 2.295 335 N HA 0.075 4.816 4.740 0.002 0.000 0.221 335 N C -0.406 175.116 175.510 0.021 0.000 1.129 335 N CA 0.278 53.340 53.050 0.021 0.000 0.836 335 N CB 0.288 38.814 38.487 0.064 0.000 1.040 335 N HN 0.095 8.475 8.380 0.000 0.000 0.494 336 S N 0.380 116.113 115.700 0.054 0.000 2.713 336 S HA 0.376 4.847 4.470 0.002 0.000 0.283 336 S C 0.111 174.714 174.600 0.004 0.000 1.161 336 S CA -0.610 57.651 58.200 0.102 0.000 0.999 336 S CB 1.823 65.153 63.200 0.217 0.000 1.039 336 S HN 0.127 8.437 8.310 0.000 0.000 0.548 337 E N 0.953 121.189 120.200 0.060 0.000 2.224 337 E HA 0.442 4.793 4.350 0.002 0.000 0.265 337 E C -0.914 175.836 176.600 0.250 0.000 0.878 337 E CA -0.246 56.203 56.400 0.082 0.000 0.759 337 E CB 2.079 31.927 29.700 0.246 0.000 1.164 337 E HN 0.462 8.822 8.360 0.000 0.000 0.414 338 M N 3.109 122.802 119.600 0.156 0.000 2.724 338 M HA 0.464 4.945 4.480 0.002 0.000 0.310 338 M C -1.478 174.881 176.300 0.097 0.000 1.217 338 M CA -0.892 54.495 55.300 0.146 0.000 0.894 338 M CB 1.245 33.846 32.600 0.002 0.000 1.719 338 M HN 0.469 8.759 8.290 0.000 0.000 0.479 339 L N 2.283 123.470 121.223 -0.060 0.000 2.625 339 L HA 0.326 4.667 4.340 0.002 0.000 0.255 339 L C -0.529 176.202 176.870 -0.232 0.000 1.493 339 L CA 0.186 54.882 54.840 -0.240 0.000 0.796 339 L CB 0.817 42.542 42.059 -0.557 0.000 1.064 339 L HN 0.763 8.993 8.230 0.000 0.000 0.516 340 S N 0.706 116.317 115.700 -0.148 0.000 2.589 340 S HA 0.223 4.694 4.470 0.002 0.000 0.306 340 S C 0.517 175.038 174.600 -0.132 0.000 1.221 340 S CA 0.099 58.217 58.200 -0.136 0.000 1.159 340 S CB -0.226 62.912 63.200 -0.103 0.000 0.990 340 S HN 0.592 8.902 8.310 0.000 0.000 0.514 341 S N 3.731 119.349 115.700 -0.136 0.000 2.593 341 S HA 0.760 5.231 4.470 0.002 0.000 0.297 341 S C -0.959 173.613 174.600 -0.046 0.000 1.112 341 S CA -0.819 57.331 58.200 -0.084 0.000 1.043 341 S CB 1.816 65.016 63.200 -0.002 0.000 1.054 341 S HN 0.705 9.015 8.310 0.000 0.000 0.516 342 D N 0.228 120.609 120.400 -0.031 0.000 2.745 342 D HA 0.269 4.910 4.640 0.002 0.000 0.221 342 D C -0.302 175.989 176.300 -0.015 0.000 1.237 342 D CA -0.535 53.459 54.000 -0.011 0.000 0.781 342 D CB 1.892 42.726 40.800 0.056 0.000 1.575 342 D HN 0.707 9.077 8.370 0.000 0.000 0.482 343 V N 0.903 120.809 119.914 -0.013 0.000 3.061 343 V HA 0.540 4.661 4.120 0.002 0.000 0.306 343 V C 0.305 176.383 176.094 -0.027 0.000 1.118 343 V CA 0.007 62.295 62.300 -0.020 0.000 1.231 343 V CB 0.548 32.361 31.823 -0.017 0.000 0.956 343 V HN 0.461 8.651 8.190 0.000 0.000 0.499 344 S N 1.680 117.359 115.700 -0.036 0.000 2.677 344 S HA 0.842 5.313 4.470 0.002 0.000 0.304 344 S C 0.018 174.585 174.600 -0.054 0.000 1.108 344 S CA -0.208 57.965 58.200 -0.045 0.000 0.944 344 S CB 1.730 64.906 63.200 -0.041 0.000 1.127 344 S HN 1.490 9.800 8.310 0.000 0.000 0.511 345 A N 1.040 123.822 122.820 -0.064 0.000 2.309 345 A HA 0.677 4.998 4.320 0.002 0.000 0.290 345 A C 0.266 177.808 177.584 -0.071 0.000 1.206 345 A CA -0.488 51.503 52.037 -0.076 0.000 0.850 345 A CB -0.405 18.543 19.000 -0.088 0.000 1.118 345 A HN 0.960 9.110 8.150 0.000 0.000 0.523 346 A N 2.409 125.189 122.820 -0.067 0.000 2.340 346 A HA 0.550 4.871 4.320 0.002 0.000 0.268 346 A C -0.098 177.427 177.584 -0.098 0.000 1.100 346 A CA -0.491 51.505 52.037 -0.068 0.000 0.803 346 A CB 0.005 18.992 19.000 -0.022 0.000 1.043 346 A HN 1.080 9.230 8.150 0.000 0.000 0.488 347 F N 2.302 122.044 119.950 -0.347 0.000 2.590 347 F HA 0.109 4.637 4.527 0.002 0.000 0.389 347 F C 0.342 176.049 175.800 -0.154 0.000 1.049 347 F CA 0.509 58.297 58.000 -0.353 0.000 1.199 347 F CB 0.358 38.887 39.000 -0.786 0.000 1.058 347 F HN 0.572 8.872 8.300 0.000 0.000 0.556 348 D N 9.064 129.087 120.400 -0.628 0.000 2.280 348 D HA 0.215 4.856 4.640 0.002 0.000 0.236 348 D C -1.760 174.253 176.300 -0.477 0.000 1.082 348 D CA -2.231 51.565 54.000 -0.340 0.000 0.834 348 D CB 1.870 42.585 40.800 -0.141 0.000 1.100 348 D HN 0.299 8.669 8.370 0.000 0.000 0.486 349 P HA -0.063 4.357 4.420 0.000 0.000 0.236 349 P C 0.565 177.802 177.300 -0.105 0.000 1.172 349 P CA 0.423 63.516 63.100 -0.011 0.000 0.759 349 P CB 0.633 32.410 31.700 0.129 0.000 0.843 350 N N -0.877 117.720 118.700 -0.171 0.000 2.409 350 N HA -0.024 4.717 4.740 0.002 0.000 0.174 350 N C -0.150 174.940 175.510 -0.699 0.000 1.037 350 N CA 0.774 53.602 53.050 -0.370 0.000 0.898 350 N CB 0.085 38.372 38.487 -0.333 0.000 1.010 350 N HN 0.288 8.668 8.380 0.000 0.000 0.445 351 Y N 0.263 120.451 120.300 -0.187 0.000 2.628 351 Y HA 0.325 4.875 4.550 0.001 0.000 0.354 351 Y C -1.780 173.952 175.900 -0.280 0.000 1.061 351 Y CA -1.603 56.393 58.100 -0.173 0.000 1.251 351 Y CB 1.662 40.035 38.460 -0.146 0.000 1.098 351 Y HN -0.019 8.261 8.280 0.000 0.000 0.626 352 P HA -0.062 4.358 4.420 0.000 0.000 0.219 352 P C 0.441 177.795 177.300 0.089 0.000 1.154 352 P CA 1.084 64.134 63.100 -0.083 0.000 0.826 352 P CB 0.594 32.410 31.700 0.192 0.000 0.795 353 N N 0.247 118.992 118.700 0.076 0.000 2.635 353 N HA -0.064 4.677 4.740 0.002 0.000 0.191 353 N C 1.581 177.132 175.510 0.069 0.000 1.155 353 N CA 0.379 53.479 53.050 0.083 0.000 0.927 353 N CB -0.430 38.096 38.487 0.065 0.000 0.976 353 N HN 0.104 8.484 8.380 0.000 0.000 0.448 354 V N -0.210 119.733 119.914 0.048 0.000 3.506 354 V HA 0.193 4.314 4.120 0.002 0.000 0.263 354 V C 0.606 176.723 176.094 0.038 0.000 1.203 354 V CA 0.592 62.907 62.300 0.026 0.000 1.133 354 V CB 0.084 31.900 31.823 -0.011 0.000 0.802 354 V HN 0.112 8.302 8.190 0.000 0.000 0.459 355 M N -0.723 118.929 119.600 0.086 0.000 2.644 355 M HA 0.401 4.882 4.480 0.002 0.000 0.304 355 M C 0.505 176.914 176.300 0.181 0.000 1.215 355 M CA -0.341 55.039 55.300 0.134 0.000 0.871 355 M CB 1.943 34.649 32.600 0.176 0.000 1.740 355 M HN -0.197 8.093 8.290 0.000 0.000 0.464 356 E N 1.041 121.325 120.200 0.140 0.000 2.463 356 E HA -0.066 4.285 4.350 0.002 0.000 0.191 356 E C 0.327 176.995 176.600 0.114 0.000 1.083 356 E CA 0.399 56.870 56.400 0.117 0.000 0.872 356 E CB 0.208 29.962 29.700 0.090 0.000 0.966 356 E HN 0.645 9.005 8.360 0.000 0.000 0.491 357 K N -0.066 120.421 120.400 0.146 0.000 11.088 357 K HA -0.281 4.041 4.320 0.002 0.000 0.518 357 K C 0.066 176.720 176.600 0.090 0.000 0.411 357 K CA 2.153 58.456 56.287 0.027 0.000 1.873 357 K CB -0.930 31.569 32.500 -0.001 0.000 0.794 357 K HN 0.126 8.376 8.250 0.000 0.000 1.246 358 R N 1.164 121.700 120.500 0.060 0.000 2.641 358 R HA 0.214 4.555 4.340 0.002 0.000 0.269 358 R C 0.090 176.433 176.300 0.071 0.000 1.074 358 R CA 0.626 56.760 56.100 0.057 0.000 1.133 358 R CB 0.116 30.441 30.300 0.041 0.000 1.029 358 R HN 0.588 8.858 8.270 0.000 0.000 0.488 359 N N -0.052 118.678 118.700 0.050 0.000 2.776 359 N HA -0.157 4.584 4.740 0.002 0.000 0.249 359 N C -1.350 174.181 175.510 0.036 0.000 1.111 359 N CA 1.098 54.169 53.050 0.035 0.000 0.711 359 N CB -0.774 37.748 38.487 0.058 0.000 1.065 359 N HN 0.446 8.826 8.380 0.000 0.000 0.556 360 S N -0.463 115.274 115.700 0.061 0.000 2.541 360 S HA 0.702 5.173 4.470 0.002 0.000 0.280 360 S C 0.004 174.607 174.600 0.006 0.000 1.112 360 S CA -0.472 57.741 58.200 0.023 0.000 0.925 360 S CB 2.504 65.718 63.200 0.023 0.000 1.067 360 S HN 0.435 8.745 8.310 0.000 0.000 0.479 361 A N 2.045 124.835 122.820 -0.051 0.000 2.401 361 A HA 0.636 4.957 4.320 0.002 0.000 0.259 361 A C -1.284 176.236 177.584 -0.107 0.000 1.103 361 A CA 0.105 52.134 52.037 -0.014 0.000 0.789 361 A CB -0.127 18.864 19.000 -0.016 0.000 1.035 361 A HN 0.692 8.842 8.150 0.000 0.000 0.491 362 Y N 0.684 120.989 120.300 0.007 0.000 2.429 362 Y HA 0.398 4.949 4.550 0.002 0.000 0.342 362 Y C 0.269 176.210 175.900 0.067 0.000 1.004 362 Y CA -0.659 57.473 58.100 0.054 0.000 1.075 362 Y CB 1.775 40.241 38.460 0.010 0.000 1.214 362 Y HN 0.592 8.872 8.280 0.000 0.000 0.455 363 L N 3.160 124.518 121.223 0.226 0.000 2.742 363 L HA 0.186 4.527 4.340 0.002 0.000 0.275 363 L C 0.947 177.958 176.870 0.236 0.000 1.141 363 L CA 1.322 56.279 54.840 0.196 0.000 0.987 363 L CB -0.493 41.681 42.059 0.191 0.000 1.319 363 L HN 1.062 9.292 8.230 0.000 0.000 0.478 364 G N 2.634 111.549 108.800 0.191 0.000 2.163 364 G HA2 -0.238 3.723 3.960 0.002 0.000 0.213 364 G HA3 -0.238 3.723 3.960 0.002 0.000 0.213 364 G C 0.692 175.647 174.900 0.092 0.000 0.991 364 G CA -0.196 45.018 45.100 0.191 0.000 0.653 364 G HN 0.583 8.873 8.290 0.000 0.000 0.518 365 K N 0.898 121.347 120.400 0.082 0.000 2.577 365 K HA 0.468 4.789 4.320 0.002 0.000 0.210 365 K C 1.299 177.894 176.600 -0.008 0.000 1.048 365 K CA 0.467 56.768 56.287 0.023 0.000 1.188 365 K CB 0.289 32.804 32.500 0.025 0.000 0.910 365 K HN 1.357 9.607 8.250 0.000 0.000 0.483 366 G N 1.701 110.492 108.800 -0.015 0.000 2.582 366 G HA2 -0.241 3.720 3.960 0.002 0.000 0.222 366 G HA3 -0.241 3.720 3.960 0.002 0.000 0.222 366 G C -0.616 174.309 174.900 0.042 0.000 1.311 366 G CA -0.808 44.291 45.100 -0.002 0.000 0.915 366 G HN 0.245 8.535 8.290 0.000 0.000 0.528 367 I N 0.093 120.716 120.570 0.088 0.000 2.696 367 I HA 0.469 4.640 4.170 0.002 0.000 0.284 367 I C 0.762 176.990 176.117 0.184 0.000 1.129 367 I CA -0.728 60.617 61.300 0.075 0.000 1.410 367 I CB 0.767 38.798 38.000 0.052 0.000 1.399 367 I HN 0.481 8.691 8.210 0.000 0.000 0.579 368 V N 7.420 127.371 119.914 0.061 0.000 2.539 368 V HA 0.347 4.468 4.120 0.002 0.000 0.292 368 V C -0.541 175.542 176.094 -0.018 0.000 1.045 368 V CA -0.348 62.007 62.300 0.093 0.000 0.945 368 V CB 1.342 33.173 31.823 0.013 0.000 0.993 368 V HN 0.440 8.630 8.190 0.000 0.000 0.464 369 F N 2.756 122.734 119.950 0.048 0.000 2.507 369 F HA 0.532 5.060 4.527 0.002 0.000 0.325 369 F C 0.317 176.098 175.800 -0.031 0.000 1.116 369 F CA -0.637 57.366 58.000 0.005 0.000 0.930 369 F CB 1.917 40.919 39.000 0.003 0.000 1.146 369 F HN 0.404 8.704 8.300 0.000 0.000 0.447 370 N N 4.099 122.825 118.700 0.044 0.000 2.569 370 N HA 0.139 4.880 4.740 0.002 0.000 0.254 370 N C 0.692 176.178 175.510 -0.039 0.000 1.004 370 N CA -0.416 52.606 53.050 -0.047 0.000 0.904 370 N CB 2.114 40.554 38.487 -0.078 0.000 1.165 370 N HN 0.678 9.058 8.380 0.000 0.000 0.513 371 K N 2.018 122.367 120.400 -0.084 0.000 2.032 371 K HA -0.147 4.174 4.320 0.002 0.000 0.209 371 K C -0.119 176.523 176.600 0.070 0.000 1.048 371 K CA 1.631 57.927 56.287 0.016 0.000 0.927 371 K CB 0.136 32.673 32.500 0.061 0.000 0.712 371 K HN 0.613 8.863 8.250 0.000 0.000 0.441 372 Y N -2.075 118.262 120.300 0.062 0.000 2.609 372 Y HA 0.532 5.082 4.550 0.001 0.000 0.342 372 Y C -1.251 174.670 175.900 0.036 0.000 1.058 372 Y CA -1.075 57.052 58.100 0.044 0.000 1.055 372 Y CB 1.798 40.279 38.460 0.034 0.000 1.292 372 Y HN -0.063 8.217 8.280 0.000 0.000 0.476 373 T N -0.733 113.953 114.554 0.220 0.000 3.424 373 T HA 0.608 4.959 4.350 0.002 0.000 0.293 373 T C -0.348 174.421 174.700 0.114 0.000 0.788 373 T CA -0.175 62.002 62.100 0.129 0.000 1.337 373 T CB 0.111 69.007 68.868 0.045 0.000 0.948 373 T HN 1.341 9.581 8.240 0.000 0.000 0.534 374 G N 1.235 110.112 108.800 0.128 0.000 3.302 374 G HA2 0.818 4.779 3.960 0.002 0.000 0.170 374 G HA3 0.818 4.779 3.960 0.002 0.000 0.170 374 G C -0.402 174.521 174.900 0.039 0.000 1.119 374 G CA -0.381 44.754 45.100 0.057 0.000 0.826 374 G HN 0.578 8.868 8.290 0.000 0.000 0.646 375 S N -1.114 114.594 115.700 0.014 0.000 4.333 375 S HA 0.374 4.846 4.470 0.002 0.000 0.203 375 S C 0.102 174.702 174.600 -0.000 0.000 1.107 375 S CA -0.695 57.509 58.200 0.006 0.000 1.753 375 S CB 0.175 63.370 63.200 -0.008 0.000 1.009 375 S HN 0.248 8.558 8.310 0.000 0.000 0.779 376 R N 2.330 122.824 120.500 -0.010 0.000 2.808 376 R HA 0.258 4.599 4.340 0.002 0.000 0.248 376 R C 0.486 176.770 176.300 -0.027 0.000 1.539 376 R CA 0.707 56.798 56.100 -0.015 0.000 1.071 376 R CB -1.159 29.131 30.300 -0.016 0.000 1.172 376 R HN 0.948 9.218 8.270 0.000 0.000 0.579 377 G N 2.129 110.909 108.800 -0.033 0.000 2.325 377 G HA2 -0.306 3.655 3.960 0.002 0.000 0.248 377 G HA3 -0.306 3.655 3.960 0.002 0.000 0.248 377 G C 0.271 175.121 174.900 -0.083 0.000 1.108 377 G CA 0.050 45.114 45.100 -0.061 0.000 0.881 377 G HN 0.684 8.974 8.290 0.000 0.000 0.494 378 K N -1.894 118.461 120.400 -0.076 0.000 3.274 378 K HA -0.228 4.093 4.320 0.002 0.000 0.300 378 K C 0.901 177.474 176.600 -0.044 0.000 1.230 378 K CA 1.004 57.249 56.287 -0.069 0.000 0.884 378 K CB -1.625 30.767 32.500 -0.181 0.000 1.242 378 K HN 1.266 9.516 8.250 0.000 0.000 0.467 379 S N 0.532 116.206 115.700 -0.044 0.000 2.537 379 S HA 0.334 4.805 4.470 0.002 0.000 0.286 379 S C 0.991 175.551 174.600 -0.067 0.000 1.299 379 S CA 0.843 59.009 58.200 -0.055 0.000 1.067 379 S CB 0.570 63.740 63.200 -0.048 0.000 0.864 379 S HN 0.766 9.076 8.310 0.000 0.000 0.494 380 G N 3.506 112.241 108.800 -0.108 0.000 2.387 380 G HA2 -0.112 3.849 3.960 0.002 0.000 0.270 380 G HA3 -0.112 3.849 3.960 0.002 0.000 0.270 380 G C 0.154 174.954 174.900 -0.167 0.000 0.957 380 G CA 0.033 45.026 45.100 -0.179 0.000 1.352 380 G HN 2.111 10.401 8.290 0.000 0.000 0.457 381 C N 0.019 119.223 119.300 -0.161 0.000 3.224 381 C HA 0.707 5.168 4.460 0.002 0.000 0.348 381 C C -0.120 174.881 174.990 0.017 0.000 1.242 381 C CA -1.155 57.841 59.018 -0.037 0.000 1.180 381 C CB 1.446 29.213 27.740 0.045 0.000 1.458 381 C HN 1.040 9.270 8.230 0.000 0.000 0.485 382 N N 0.951 119.721 118.700 0.117 0.000 2.514 382 N HA 0.340 5.081 4.740 0.002 0.000 0.277 382 N C -1.359 174.221 175.510 0.117 0.000 1.126 382 N CA 0.413 53.536 53.050 0.122 0.000 0.978 382 N CB 1.336 39.912 38.487 0.148 0.000 1.106 382 N HN 0.893 9.273 8.380 0.000 0.000 0.461 383 D N 1.918 122.381 120.400 0.105 0.000 2.453 383 D HA 0.388 5.029 4.640 0.002 0.000 0.238 383 D C -0.547 175.825 176.300 0.121 0.000 1.088 383 D CA -0.427 53.654 54.000 0.134 0.000 0.854 383 D CB 1.108 41.974 40.800 0.110 0.000 1.076 383 D HN 0.618 8.988 8.370 0.000 0.000 0.533 384 A N 4.073 126.978 122.820 0.141 0.000 2.498 384 A HA 0.183 4.504 4.320 0.002 0.000 0.239 384 A C 0.407 178.079 177.584 0.147 0.000 1.068 384 A CA -0.237 51.892 52.037 0.154 0.000 0.766 384 A CB 0.155 19.273 19.000 0.195 0.000 1.003 384 A HN 0.652 8.802 8.150 0.000 0.000 0.497 385 N N 3.723 122.511 118.700 0.147 0.000 2.520 385 N HA 0.169 4.910 4.740 0.002 0.000 0.273 385 N C -1.658 173.935 175.510 0.139 0.000 1.155 385 N CA -1.398 51.727 53.050 0.124 0.000 0.967 385 N CB 0.987 39.533 38.487 0.098 0.000 1.092 385 N HN 0.437 8.817 8.380 0.000 0.000 0.457 386 P HA -0.188 4.232 4.420 0.000 0.000 0.215 386 P C 0.916 178.248 177.300 0.053 0.000 1.153 386 P CA 1.514 64.652 63.100 0.063 0.000 0.853 386 P CB 0.342 32.074 31.700 0.053 0.000 0.788 387 E N -0.256 119.988 120.200 0.072 0.000 2.097 387 E HA -0.243 4.108 4.350 0.002 0.000 0.196 387 E C 2.222 178.884 176.600 0.103 0.000 1.000 387 E CA 1.290 57.732 56.400 0.070 0.000 0.804 387 E CB -1.675 28.069 29.700 0.074 0.000 0.740 387 E HN 0.305 8.665 8.360 0.000 0.000 0.454 388 Y N 1.853 122.155 120.300 0.004 0.000 2.200 388 Y HA -0.046 4.505 4.550 0.002 0.000 0.290 388 Y C 2.330 178.223 175.900 -0.011 0.000 1.137 388 Y CA 0.877 58.984 58.100 0.012 0.000 1.163 388 Y CB -0.319 38.159 38.460 0.029 0.000 0.988 388 Y HN -0.103 8.177 8.280 0.000 0.000 0.518 389 I N 0.073 120.598 120.570 -0.076 0.000 2.127 389 I HA -0.379 3.792 4.170 0.002 0.000 0.241 389 I C 2.698 178.629 176.117 -0.310 0.000 1.075 389 I CA 1.412 62.569 61.300 -0.238 0.000 1.334 389 I CB -0.971 36.960 38.000 -0.115 0.000 1.040 389 I HN 0.292 8.502 8.210 0.000 0.000 0.405 390 A N 0.412 123.125 122.820 -0.178 0.000 1.892 390 A HA -0.260 4.061 4.320 0.002 0.000 0.218 390 A C 2.256 179.725 177.584 -0.190 0.000 1.188 390 A CA 1.843 53.782 52.037 -0.163 0.000 0.631 390 A CB -0.566 18.390 19.000 -0.074 0.000 0.822 390 A HN 0.390 8.540 8.150 0.000 0.000 0.447 391 E N -0.049 120.052 120.200 -0.165 0.000 2.038 391 E HA -0.186 4.165 4.350 0.002 0.000 0.195 391 E C 2.090 178.562 176.600 -0.212 0.000 1.000 391 E CA 1.300 57.615 56.400 -0.142 0.000 0.803 391 E CB -0.538 29.118 29.700 -0.074 0.000 0.750 391 E HN 0.695 9.055 8.360 0.000 0.000 0.448 392 L N 0.389 121.397 121.223 -0.359 0.000 2.081 392 L HA -0.224 4.117 4.340 0.002 0.000 0.212 392 L C 2.693 179.288 176.870 -0.460 0.000 1.080 392 L CA 1.287 55.898 54.840 -0.380 0.000 0.754 392 L CB -0.393 41.356 42.059 -0.516 0.000 0.893 392 L HN 0.070 8.300 8.230 0.000 0.000 0.433 393 R N -0.367 119.800 120.500 -0.555 0.000 2.088 393 R HA -0.198 4.143 4.340 0.002 0.000 0.232 393 R C 2.455 178.597 176.300 -0.263 0.000 1.136 393 R CA 1.666 57.424 56.100 -0.570 0.000 0.926 393 R CB -0.493 29.547 30.300 -0.433 0.000 0.837 393 R HN 0.248 8.518 8.270 0.000 0.000 0.429 394 R N 1.053 121.451 120.500 -0.169 0.000 2.112 394 R HA -0.206 4.135 4.340 0.002 0.000 0.242 394 R C 2.243 178.507 176.300 -0.060 0.000 1.137 394 R CA 1.993 58.044 56.100 -0.081 0.000 0.944 394 R CB -0.434 29.828 30.300 -0.063 0.000 0.857 394 R HN 0.232 8.502 8.270 0.000 0.000 0.435 395 I N 0.861 121.388 120.570 -0.072 0.000 2.127 395 I HA -0.298 3.873 4.170 0.002 0.000 0.241 395 I C 1.877 177.988 176.117 -0.009 0.000 1.075 395 I CA 1.211 62.498 61.300 -0.021 0.000 1.334 395 I CB -0.249 37.761 38.000 0.018 0.000 1.040 395 I HN 0.212 8.422 8.210 0.000 0.000 0.405 396 L N 0.370 121.559 121.223 -0.057 0.000 2.762 396 L HA -0.032 4.309 4.340 0.002 0.000 0.250 396 L C 1.656 178.569 176.870 0.070 0.000 1.160 396 L CA 0.163 55.000 54.840 -0.005 0.000 0.951 396 L CB -0.453 41.548 42.059 -0.097 0.000 1.148 396 L HN 0.182 8.412 8.230 0.000 0.000 0.424 397 S N -1.403 114.323 115.700 0.044 0.000 2.807 397 S HA 0.001 4.472 4.470 0.002 0.000 0.247 397 S C 1.859 176.487 174.600 0.046 0.000 1.078 397 S CA -0.260 57.983 58.200 0.072 0.000 0.867 397 S CB 0.288 63.520 63.200 0.054 0.000 0.797 397 S HN 0.266 8.576 8.310 0.000 0.000 0.515 398 K N 1.949 122.366 120.400 0.029 0.000 1.978 398 K HA -0.082 4.239 4.320 0.002 0.000 0.214 398 K C 0.997 177.616 176.600 0.032 0.000 1.049 398 K CA 1.470 57.772 56.287 0.025 0.000 0.939 398 K CB -0.349 32.161 32.500 0.017 0.000 0.721 398 K HN 0.159 8.409 8.250 0.000 0.000 0.441 399 E N 1.570 121.791 120.200 0.036 0.000 2.505 399 E HA -0.048 4.303 4.350 0.002 0.000 0.197 399 E C 0.848 177.474 176.600 0.043 0.000 1.111 399 E CA 0.300 56.723 56.400 0.038 0.000 0.887 399 E CB -0.176 29.548 29.700 0.040 0.000 0.913 399 E HN 0.433 8.793 8.360 0.000 0.000 0.517 400 S N -0.842 114.888 115.700 0.050 0.000 3.973 400 S HA -0.301 4.170 4.470 0.002 0.000 0.627 400 S C -0.179 174.467 174.600 0.076 0.000 2.126 400 S CA 0.765 58.999 58.200 0.057 0.000 4.069 400 S CB -0.864 62.365 63.200 0.048 0.000 0.220 400 S HN 0.383 8.693 8.310 0.000 0.000 0.739 401 V N 0.624 120.570 119.914 0.054 0.000 3.345 401 V HA -0.116 4.005 4.120 0.002 0.000 0.481 401 V C -0.246 175.915 176.094 0.111 0.000 0.682 401 V CA 0.738 63.071 62.300 0.054 0.000 2.024 401 V CB -1.590 30.270 31.823 0.063 0.000 2.475 401 V HN 0.955 9.145 8.190 0.000 0.000 0.501 402 N N 5.893 124.612 118.700 0.032 0.000 2.499 402 N HA 0.746 5.487 4.740 0.002 0.000 0.281 402 N C -0.332 175.259 175.510 0.135 0.000 1.098 402 N CA -0.285 52.763 53.050 -0.004 0.000 0.979 402 N CB 0.868 39.285 38.487 -0.116 0.000 1.121 402 N HN 0.802 9.182 8.380 0.000 0.000 0.466 403 W N 0.868 122.203 121.300 0.059 0.000 3.031 403 W HA 0.538 5.199 4.660 0.001 0.000 0.337 403 W C -1.308 175.310 176.519 0.164 0.000 1.187 403 W CA -0.957 56.462 57.345 0.123 0.000 1.166 403 W CB 0.704 30.236 29.460 0.121 0.000 1.437 403 W HN 0.507 8.687 8.180 0.000 0.000 0.551 404 Q N 0.883 120.886 119.800 0.340 0.000 2.377 404 Q HA 0.535 4.876 4.340 0.002 0.000 0.279 404 Q C -1.702 174.416 176.000 0.196 0.000 1.049 404 Q CA -0.680 55.119 55.803 -0.007 0.000 0.825 404 Q CB 2.631 31.240 28.738 -0.215 0.000 1.401 404 Q HN 0.382 8.652 8.270 0.000 0.000 0.404 405 T N 0.355 114.928 114.554 0.032 0.000 2.867 405 T HA 0.816 5.167 4.350 0.002 0.000 0.282 405 T C -1.057 173.634 174.700 -0.014 0.000 1.000 405 T CA 0.081 62.258 62.100 0.128 0.000 1.042 405 T CB 1.170 70.156 68.868 0.197 0.000 0.973 405 T HN 0.743 8.983 8.240 0.000 0.000 0.465 406 A N 3.487 126.307 122.820 -0.001 0.000 2.532 406 A HA 0.840 5.161 4.320 0.002 0.000 0.290 406 A C -0.975 176.565 177.584 -0.073 0.000 1.143 406 A CA -0.748 51.269 52.037 -0.033 0.000 0.728 406 A CB 1.681 20.666 19.000 -0.024 0.000 1.317 406 A HN 0.796 8.946 8.150 0.000 0.000 0.414 407 E N -0.151 120.018 120.200 -0.052 0.000 2.314 407 E HA 0.461 4.812 4.350 0.002 0.000 0.272 407 E C -1.834 174.757 176.600 -0.015 0.000 0.884 407 E CA -0.777 55.588 56.400 -0.059 0.000 0.753 407 E CB 1.867 31.562 29.700 -0.008 0.000 1.213 407 E HN 0.534 8.894 8.360 0.000 0.000 0.432 408 L N 4.307 125.526 121.223 -0.007 0.000 2.404 408 L HA 0.389 4.730 4.340 0.002 0.000 0.277 408 L C 0.084 176.960 176.870 0.010 0.000 1.184 408 L CA 1.161 55.997 54.840 -0.007 0.000 1.013 408 L CB -0.166 41.885 42.059 -0.014 0.000 1.318 408 L HN 0.691 8.921 8.230 0.000 0.000 0.435 409 G N 3.724 112.532 108.800 0.013 0.000 2.757 409 G HA2 -0.249 3.712 3.960 0.002 0.000 0.686 409 G HA3 -0.249 3.712 3.960 0.002 0.000 0.686 409 G C -0.413 174.514 174.900 0.046 0.000 1.452 409 G CA -0.230 44.885 45.100 0.024 0.000 0.922 409 G HN 0.959 9.249 8.290 0.000 0.000 0.588 410 K N 1.870 122.301 120.400 0.052 0.000 2.319 410 K HA 0.379 4.700 4.320 0.002 0.000 0.277 410 K C 1.674 178.305 176.600 0.052 0.000 1.111 410 K CA -0.195 56.127 56.287 0.059 0.000 1.093 410 K CB 0.312 32.848 32.500 0.059 0.000 0.910 410 K HN 1.329 9.579 8.250 0.000 0.000 0.452 411 V N 1.744 121.696 119.914 0.065 0.000 0.689 411 V HA -0.450 3.671 4.120 0.002 0.000 0.092 411 V C 0.992 177.110 176.094 0.040 0.000 0.824 411 V CA 2.100 64.435 62.300 0.058 0.000 3.107 411 V CB -0.863 30.988 31.823 0.045 0.000 0.218 411 V HN 0.981 9.171 8.190 0.000 0.000 0.142 412 D N 0.690 121.106 120.400 0.027 0.000 2.924 412 D HA 0.031 4.672 4.640 0.002 0.000 0.239 412 D C 1.205 177.514 176.300 0.014 0.000 1.198 412 D CA 0.395 54.405 54.000 0.017 0.000 0.958 412 D CB 0.376 41.183 40.800 0.011 0.000 1.169 412 D HN 0.447 8.817 8.370 0.000 0.000 0.438 413 Q N -0.256 119.553 119.800 0.015 0.000 2.263 413 Q HA 0.206 4.547 4.340 0.002 0.000 0.218 413 Q C 1.092 177.090 176.000 -0.003 0.000 0.992 413 Q CA 0.225 56.032 55.803 0.006 0.000 0.844 413 Q CB -0.403 28.340 28.738 0.008 0.000 1.126 413 Q HN 0.271 8.541 8.270 0.000 0.000 0.547 414 G N -0.463 108.332 108.800 -0.008 0.000 2.502 414 G HA2 0.520 4.481 3.960 0.002 0.000 0.305 414 G HA3 0.520 4.481 3.960 0.002 0.000 0.305 414 G C -0.345 174.549 174.900 -0.009 0.000 1.190 414 G CA 0.099 45.188 45.100 -0.019 0.000 0.933 414 G HN 0.294 8.584 8.290 0.000 0.000 0.503 415 G N -1.838 106.952 108.800 -0.016 0.000 2.461 415 G HA2 0.703 4.664 3.960 0.002 0.000 0.329 415 G HA3 0.703 4.664 3.960 0.002 0.000 0.329 415 G C -0.223 174.672 174.900 -0.009 0.000 1.170 415 G CA -0.029 45.066 45.100 -0.008 0.000 0.935 415 G HN 1.057 9.347 8.290 0.000 0.000 0.492 416 G N -2.306 106.496 108.800 0.003 0.000 2.694 416 G HA2 0.751 4.713 3.960 0.002 0.000 0.290 416 G HA3 0.751 4.713 3.960 0.002 0.000 0.290 416 G C -0.599 174.312 174.900 0.018 0.000 1.386 416 G CA -0.254 44.852 45.100 0.009 0.000 0.872 416 G HN 1.661 9.951 8.290 0.000 0.000 0.475 417 G N -0.068 108.752 108.800 0.033 0.000 2.213 417 G HA2 0.556 4.517 3.960 0.002 0.000 0.249 417 G HA3 0.556 4.517 3.960 0.002 0.000 0.249 417 G C -0.343 174.608 174.900 0.084 0.000 2.618 417 G CA 0.297 45.436 45.100 0.066 0.000 0.788 417 G HN 1.234 9.524 8.290 0.000 0.000 0.498 418 T N -0.214 114.404 114.554 0.107 0.000 2.927 418 T HA 0.595 4.946 4.350 0.002 0.000 0.281 418 T C 1.668 176.399 174.700 0.052 0.000 0.998 418 T CA -0.461 61.679 62.100 0.068 0.000 1.019 418 T CB 1.480 70.376 68.868 0.046 0.000 1.061 418 T HN 1.116 9.356 8.240 0.000 0.000 0.518 419 I N -0.800 119.737 120.570 -0.056 0.000 3.620 419 I HA 0.358 4.529 4.170 0.002 0.000 0.305 419 I C 1.879 177.842 176.117 -0.257 0.000 1.243 419 I CA -0.277 60.891 61.300 -0.220 0.000 1.196 419 I CB -0.810 37.088 38.000 -0.170 0.000 1.004 419 I HN 0.670 8.880 8.210 0.000 0.000 0.487 420 A N 1.977 124.726 122.820 -0.119 0.000 1.929 420 A HA -0.175 4.146 4.320 0.002 0.000 0.216 420 A C 2.189 179.723 177.584 -0.083 0.000 1.176 420 A CA 1.560 53.549 52.037 -0.080 0.000 0.628 420 A CB -0.882 18.119 19.000 0.002 0.000 0.816 420 A HN 0.779 8.929 8.150 0.000 0.000 0.444 421 Y N -0.763 119.507 120.300 -0.049 0.000 2.439 421 Y HA 0.053 4.604 4.550 0.002 0.000 0.292 421 Y C 1.650 177.498 175.900 -0.087 0.000 1.130 421 Y CA 0.701 58.768 58.100 -0.056 0.000 1.254 421 Y CB -0.710 37.723 38.460 -0.044 0.000 1.000 421 Y HN 0.207 8.487 8.280 0.000 0.000 0.554 422 I N 0.425 120.475 120.570 -0.866 0.000 2.264 422 I HA -0.274 3.897 4.170 0.002 0.000 0.248 422 I C 2.080 177.987 176.117 -0.349 0.000 1.111 422 I CA 1.555 62.466 61.300 -0.649 0.000 1.382 422 I CB -0.268 37.348 38.000 -0.640 0.000 1.060 422 I HN 0.329 8.539 8.210 0.000 0.000 0.418 423 L N -0.134 120.934 121.223 -0.259 0.000 2.463 423 L HA 0.148 4.489 4.340 0.002 0.000 0.219 423 L C 2.580 179.433 176.870 -0.028 0.000 1.088 423 L CA 0.306 55.068 54.840 -0.131 0.000 0.849 423 L CB -0.248 41.710 42.059 -0.169 0.000 1.012 423 L HN 0.127 8.357 8.230 0.000 0.000 0.468 424 A N -0.233 122.551 122.820 -0.059 0.000 2.172 424 A HA -0.210 4.111 4.320 0.002 0.000 0.216 424 A C 2.051 179.629 177.584 -0.011 0.000 1.154 424 A CA 1.109 53.140 52.037 -0.010 0.000 0.701 424 A CB -0.390 18.613 19.000 0.005 0.000 0.789 424 A HN 0.433 8.583 8.150 0.000 0.000 0.465 425 E N -1.282 118.852 120.200 -0.110 0.000 2.331 425 E HA -0.211 4.140 4.350 0.002 0.000 0.199 425 E C 1.062 177.559 176.600 -0.173 0.000 1.008 425 E CA 1.094 57.391 56.400 -0.172 0.000 0.843 425 E CB -0.174 29.342 29.700 -0.307 0.000 0.761 425 E HN 0.860 9.220 8.360 0.000 0.000 0.507 426 Y N -1.487 118.840 120.300 0.045 0.000 2.420 426 Y HA 0.120 4.671 4.550 0.002 0.000 0.292 426 Y C 1.778 177.795 175.900 0.195 0.000 1.119 426 Y CA 0.458 58.626 58.100 0.112 0.000 1.229 426 Y CB 0.935 39.472 38.460 0.127 0.000 1.026 426 Y HN 0.205 8.485 8.280 0.000 0.000 0.554 427 G N -0.669 108.268 108.800 0.227 0.000 2.227 427 G HA2 -0.202 3.759 3.960 0.002 0.000 0.168 427 G HA3 -0.202 3.759 3.960 0.002 0.000 0.168 427 G C 0.232 175.028 174.900 -0.174 0.000 1.006 427 G CA -0.374 44.787 45.100 0.101 0.000 0.684 427 G HN 0.071 8.361 8.290 0.000 0.000 0.489 428 M N 0.491 120.054 119.600 -0.061 0.000 2.150 428 M HA 0.247 4.728 4.480 0.002 0.000 0.278 428 M C 0.570 176.735 176.300 -0.224 0.000 1.213 428 M CA 0.650 55.869 55.300 -0.135 0.000 1.147 428 M CB 0.162 32.736 32.600 -0.043 0.000 1.371 428 M HN -0.024 8.266 8.290 0.000 0.000 0.444 429 Q N 1.801 121.392 119.800 -0.348 0.000 2.466 429 Q HA 0.421 4.762 4.340 0.002 0.000 0.242 429 Q C -1.204 174.403 176.000 -0.654 0.000 1.046 429 Q CA -0.188 55.236 55.803 -0.633 0.000 0.841 429 Q CB 0.744 28.839 28.738 -1.071 0.000 1.193 429 Q HN 0.441 8.711 8.270 0.000 0.000 0.508 430 V N 2.859 122.612 119.914 -0.269 0.000 2.975 430 V HA 0.674 4.795 4.120 0.002 0.000 0.318 430 V C 0.070 176.228 176.094 0.106 0.000 1.077 430 V CA -0.916 61.347 62.300 -0.062 0.000 1.000 430 V CB 2.343 34.143 31.823 -0.040 0.000 1.066 430 V HN 0.668 8.858 8.190 0.000 0.000 0.452 431 I N 0.077 120.730 120.570 0.138 0.000 2.828 431 I HA 0.380 4.551 4.170 0.002 0.000 0.295 431 I C -1.620 174.494 176.117 -0.006 0.000 1.459 431 I CA -0.412 60.971 61.300 0.138 0.000 1.015 431 I CB 2.446 40.610 38.000 0.274 0.000 1.345 431 I HN 0.584 8.794 8.210 0.000 0.000 0.449 432 D N 5.706 126.086 120.400 -0.034 0.000 2.277 432 D HA 0.374 5.015 4.640 0.002 0.000 0.249 432 D C -0.776 175.367 176.300 -0.262 0.000 1.134 432 D CA 0.110 54.046 54.000 -0.108 0.000 0.863 432 D CB 1.387 42.155 40.800 -0.054 0.000 1.143 432 D HN 0.415 8.785 8.370 0.000 0.000 0.458 433 C N 1.097 120.223 119.300 -0.289 0.000 3.017 433 C HA 0.981 5.442 4.460 0.002 0.000 0.380 433 C C 0.622 175.511 174.990 -0.169 0.000 1.583 433 C CA -0.240 58.542 59.018 -0.393 0.000 1.616 433 C CB 1.455 28.948 27.740 -0.412 0.000 2.145 433 C HN 0.832 9.062 8.230 0.000 0.000 0.466 434 G N -0.537 108.189 108.800 -0.124 0.000 2.347 434 G HA2 0.336 4.297 3.960 0.002 0.000 0.477 434 G HA3 0.336 4.297 3.960 0.002 0.000 0.477 434 G C -1.549 173.312 174.900 -0.065 0.000 1.349 434 G CA -0.337 44.733 45.100 -0.050 0.000 1.000 434 G HN 0.821 9.111 8.290 0.000 0.000 0.605 435 V N 0.182 120.071 119.914 -0.043 0.000 2.997 435 V HA 0.748 4.869 4.120 0.002 0.000 0.311 435 V C 1.175 177.259 176.094 -0.017 0.000 1.066 435 V CA 0.002 62.283 62.300 -0.031 0.000 1.039 435 V CB 1.499 33.312 31.823 -0.018 0.000 1.081 435 V HN 1.968 10.158 8.190 0.000 0.000 0.467 436 A N 3.598 126.418 122.820 -0.001 0.000 2.289 436 A HA 0.729 5.050 4.320 0.002 0.000 0.298 436 A C -0.502 177.084 177.584 0.003 0.000 1.208 436 A CA -0.362 51.675 52.037 -0.001 0.000 0.845 436 A CB 0.070 19.078 19.000 0.015 0.000 1.125 436 A HN 0.750 8.900 8.150 0.000 0.000 0.517 437 L N 1.461 122.675 121.223 -0.015 0.000 2.335 437 L HA 0.591 4.932 4.340 0.002 0.000 0.268 437 L C -0.823 176.028 176.870 -0.032 0.000 1.016 437 L CA -1.081 53.749 54.840 -0.018 0.000 0.805 437 L CB 1.563 43.607 42.059 -0.025 0.000 1.311 437 L HN 0.552 8.782 8.230 0.000 0.000 0.456 438 L N 2.077 123.277 121.223 -0.038 0.000 2.346 438 L HA 0.439 4.780 4.340 0.002 0.000 0.276 438 L C -0.230 176.608 176.870 -0.053 0.000 1.006 438 L CA -0.161 54.648 54.840 -0.052 0.000 0.817 438 L CB 1.295 43.316 42.059 -0.063 0.000 1.272 438 L HN 0.829 9.059 8.230 0.000 0.000 0.421 442 A N 1.274 124.211 122.820 0.195 0.000 2.282 442 A HA 0.454 4.775 4.320 0.002 0.000 0.319 442 A C -1.744 175.859 177.584 0.032 0.000 1.121 442 A CA -1.492 50.624 52.037 0.131 0.000 0.836 442 A CB 0.884 19.925 19.000 0.069 0.000 1.146 442 A HN -0.070 8.080 8.150 0.000 0.000 0.494 443 P HA -0.082 4.338 4.420 0.000 0.000 0.219 443 P C -0.658 176.334 177.300 -0.513 0.000 1.146 443 P CA 1.314 64.094 63.100 -0.532 0.000 0.808 443 P CB 0.102 31.286 31.700 -0.859 0.000 0.779 444 W N 0.109 121.367 121.300 -0.070 0.000 2.587 444 W HA 0.337 4.998 4.660 0.001 0.000 0.324 444 W C -0.207 176.281 176.519 -0.052 0.000 1.008 444 W CA -0.550 56.773 57.345 -0.036 0.000 1.265 444 W CB 1.186 30.617 29.460 -0.048 0.000 1.328 444 W HN -0.251 7.929 8.180 0.000 0.000 0.432 445 E N 2.858 123.120 120.200 0.104 0.000 2.222 445 E HA 0.679 5.030 4.350 0.002 0.000 0.267 445 E C -0.475 176.133 176.600 0.013 0.000 0.963 445 E CA -0.974 55.445 56.400 0.030 0.000 0.837 445 E CB 2.197 31.891 29.700 -0.010 0.000 1.183 445 E HN 0.271 8.631 8.360 0.000 0.000 0.403 446 I N 1.222 121.762 120.570 -0.051 0.000 2.603 446 I HA 0.374 4.546 4.170 0.002 0.000 0.300 446 I C -0.375 175.734 176.117 -0.013 0.000 1.017 446 I CA -0.580 60.665 61.300 -0.091 0.000 1.098 446 I CB 1.879 39.716 38.000 -0.272 0.000 1.279 446 I HN 0.536 8.746 8.210 0.000 0.000 0.437 447 S N 2.191 117.918 115.700 0.045 0.000 2.579 447 S HA 0.459 4.930 4.470 0.002 0.000 0.272 447 S C -0.846 173.842 174.600 0.145 0.000 1.141 447 S CA -0.791 57.458 58.200 0.082 0.000 0.843 447 S CB 1.850 65.096 63.200 0.077 0.000 1.122 447 S HN 0.523 8.833 8.310 0.000 0.000 0.468 448 S N 0.457 116.252 115.700 0.158 0.000 2.452 448 S HA 0.307 4.778 4.470 0.002 0.000 0.284 448 S C 0.976 175.701 174.600 0.208 0.000 1.171 448 S CA -0.718 57.626 58.200 0.240 0.000 1.064 448 S CB 0.297 63.650 63.200 0.255 0.000 0.967 448 S HN 0.706 9.016 8.310 0.000 0.000 0.484 449 K N 3.630 124.212 120.400 0.304 0.000 2.074 449 K HA -0.174 4.147 4.320 0.002 0.000 0.209 449 K C 2.276 178.851 176.600 -0.042 0.000 1.048 449 K CA 1.559 58.001 56.287 0.257 0.000 0.926 449 K CB -0.424 32.367 32.500 0.485 0.000 0.713 449 K HN 0.721 8.971 8.250 0.000 0.000 0.444 450 A N 2.328 125.046 122.820 -0.169 0.000 1.883 450 A HA -0.249 4.072 4.320 0.002 0.000 0.217 450 A C 1.780 179.205 177.584 -0.265 0.000 1.186 450 A CA 2.094 53.758 52.037 -0.621 0.000 0.624 450 A CB -0.518 17.923 19.000 -0.932 0.000 0.822 450 A HN 0.226 8.376 8.150 0.000 0.000 0.444 451 D N 0.097 120.439 120.400 -0.096 0.000 2.097 451 D HA -0.140 4.501 4.640 0.002 0.000 0.195 451 D C 1.968 178.223 176.300 -0.074 0.000 0.989 451 D CA 1.451 55.418 54.000 -0.056 0.000 0.827 451 D CB -0.478 40.326 40.800 0.006 0.000 0.966 451 D HN 0.550 8.920 8.370 0.000 0.000 0.456 452 I N 0.445 120.996 120.570 -0.032 0.000 2.091 452 I HA -0.371 3.800 4.170 0.002 0.000 0.240 452 I C 2.473 178.563 176.117 -0.045 0.000 1.046 452 I CA 1.456 62.752 61.300 -0.006 0.000 1.306 452 I CB -0.601 37.448 38.000 0.081 0.000 1.018 452 I HN 0.007 8.217 8.210 0.000 0.000 0.404 453 Y N 1.857 121.998 120.300 -0.266 0.000 2.030 453 Y HA -0.363 4.188 4.550 0.002 0.000 0.274 453 Y C 2.595 178.352 175.900 -0.237 0.000 1.153 453 Y CA 2.294 60.190 58.100 -0.341 0.000 1.115 453 Y CB -0.679 37.243 38.460 -0.896 0.000 0.969 453 Y HN 0.118 8.398 8.280 0.000 0.000 0.488 454 E N -0.463 119.582 120.200 -0.258 0.000 2.065 454 E HA -0.227 4.124 4.350 0.002 0.000 0.201 454 E C 2.250 178.685 176.600 -0.275 0.000 1.016 454 E CA 2.565 58.817 56.400 -0.245 0.000 0.818 454 E CB -0.696 28.950 29.700 -0.090 0.000 0.749 454 E HN 0.560 8.920 8.360 0.000 0.000 0.453 455 T N 0.293 114.683 114.554 -0.273 0.000 2.635 455 T HA -0.249 4.102 4.350 0.002 0.000 0.267 455 T C 1.778 176.087 174.700 -0.651 0.000 1.040 455 T CA 1.815 63.647 62.100 -0.446 0.000 1.156 455 T CB -0.315 68.285 68.868 -0.448 0.000 0.863 455 T HN 0.208 8.448 8.240 0.000 0.000 0.430 456 K N 0.840 120.969 120.400 -0.452 0.000 2.020 456 K HA -0.194 4.127 4.320 0.002 0.000 0.212 456 K C 2.126 178.591 176.600 -0.224 0.000 1.050 456 K CA 1.752 57.856 56.287 -0.306 0.000 0.929 456 K CB -0.209 32.215 32.500 -0.128 0.000 0.714 456 K HN 0.219 8.469 8.250 0.000 0.000 0.443 457 N N 0.271 118.793 118.700 -0.297 0.000 2.137 457 N HA -0.148 4.593 4.740 0.002 0.000 0.190 457 N C 1.853 177.310 175.510 -0.088 0.000 1.017 457 N CA 1.438 54.360 53.050 -0.213 0.000 0.859 457 N CB -0.765 37.521 38.487 -0.335 0.000 1.002 457 N HN 0.444 8.824 8.380 0.000 0.000 0.428 458 G N 0.069 108.795 108.800 -0.123 0.000 2.418 458 G HA2 -0.219 3.743 3.960 0.002 0.000 0.217 458 G HA3 -0.219 3.743 3.960 0.002 0.000 0.217 458 G C 1.447 176.431 174.900 0.141 0.000 1.158 458 G CA 0.428 45.525 45.100 -0.005 0.000 0.771 458 G HN 0.385 8.675 8.290 0.000 0.000 0.545 459 Y N 1.749 122.042 120.300 -0.013 0.000 2.109 459 Y HA -0.213 4.338 4.550 0.002 0.000 0.285 459 Y C 3.481 179.446 175.900 0.108 0.000 1.131 459 Y CA 1.081 59.194 58.100 0.022 0.000 1.121 459 Y CB -0.290 38.167 38.460 -0.005 0.000 0.987 459 Y HN 0.351 8.631 8.280 0.000 0.000 0.495 460 S N 0.908 116.745 115.700 0.228 0.000 2.392 460 S HA -0.260 4.211 4.470 0.002 0.000 0.232 460 S C 1.762 176.448 174.600 0.142 0.000 1.041 460 S CA 0.967 59.253 58.200 0.143 0.000 1.026 460 S CB -0.855 62.386 63.200 0.068 0.000 0.845 460 S HN 0.365 8.675 8.310 0.000 0.000 0.465 461 A N -0.298 122.607 122.820 0.142 0.000 2.281 461 A HA 0.441 4.762 4.320 0.002 0.000 0.231 461 A C 0.832 178.553 177.584 0.228 0.000 1.317 461 A CA -0.048 52.069 52.037 0.132 0.000 0.959 461 A CB -1.019 18.037 19.000 0.093 0.000 0.900 461 A HN 0.580 8.730 8.150 0.000 0.000 0.497 462 F N -0.265 119.717 119.950 0.053 0.000 2.775 462 F HA 0.251 4.780 4.527 0.002 0.000 0.313 462 F C 1.124 176.946 175.800 0.037 0.000 1.121 462 F CA -0.597 57.433 58.000 0.050 0.000 1.206 462 F CB 0.119 39.164 39.000 0.075 0.000 1.052 462 F HN 0.260 8.560 8.300 0.000 0.000 0.524 463 L N -1.509 119.723 121.223 0.014 0.000 2.084 463 L HA 0.215 4.556 4.340 0.002 0.000 0.202 463 L C 0.854 177.661 176.870 -0.105 0.000 1.074 463 L CA 0.898 55.706 54.840 -0.054 0.000 0.757 463 L CB -0.706 41.355 42.059 0.003 0.000 0.918 463 L HN -0.022 8.208 8.230 0.000 0.000 0.444 464 N N 0.864 119.524 118.700 -0.066 0.000 2.694 464 N HA 0.087 4.828 4.740 0.002 0.000 0.303 464 N C -0.217 175.244 175.510 -0.082 0.000 1.364 464 N CA -0.346 52.663 53.050 -0.069 0.000 0.862 464 N CB 0.086 38.553 38.487 -0.034 0.000 1.107 464 N HN 0.356 8.736 8.380 0.000 0.000 0.512 465 N N 0.000 118.669 118.700 -0.052 0.000 1.763 465 N HA 0.000 4.741 4.740 0.002 0.000 0.220 465 N CA 0.000 53.024 53.050 -0.043 0.000 0.885 465 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 465 N HN 0.000 8.380 8.380 0.000 0.000 0.667