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 3b7n_1_A DATA FIRST_RESID 4 DATA SEQUENCE SILDTYPQIC SPNALPGTPG NLTKEQEEAL LQFRSILLEK NYKERLDDST DATA SEQUENCE LLRFLRARKF DINASVEMFV ETERWREEYG ANTIIEDYEN NKEAEDKERI DATA SEQUENCE KLAKMYPQYY HHVDKDGRPL YFEELGGINL KKMYKITTEK QMLRNLVKEY DATA SEQUENCE ELFATYRVPA CSRRAGYLIE TSCTVLDLKG ISLSNAYHVL SYIKDVADIS DATA SEQUENCE QNYYPERMGK FYIIHSPFGF STMFKMVKPF LDPVTVSKIF ILGSSYKKEL DATA SEQUENCE LKQIPIENLP VKYGGTSVLH NPNDKFYYSD IGPWRDPRYI GPEGEIPNIF DATA SEQUENCE GKFTVTS 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 4 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 4 S C 0.000 174.621 174.600 0.035 0.000 1.055 4 S CA 0.000 58.213 58.200 0.022 0.000 1.107 4 S CB 0.000 63.211 63.200 0.017 0.000 0.593 5 I N 1.251 121.856 120.570 0.058 0.000 2.361 5 I HA -0.036 4.132 4.170 -0.004 0.000 0.251 5 I C 1.928 178.118 176.117 0.122 0.000 1.133 5 I CA 1.335 62.700 61.300 0.109 0.000 1.413 5 I CB -1.211 36.864 38.000 0.126 0.000 1.073 5 I HN 0.672 8.882 8.210 -0.000 0.000 0.424 6 L N 0.184 121.412 121.223 0.009 0.000 2.265 6 L HA -0.207 4.131 4.340 -0.004 0.000 0.215 6 L C 1.743 178.463 176.870 -0.251 0.000 1.117 6 L CA 1.039 55.734 54.840 -0.242 0.000 0.782 6 L CB -0.740 41.208 42.059 -0.185 0.000 0.914 6 L HN 0.197 8.427 8.230 -0.000 0.000 0.441 7 D N -0.555 119.795 120.400 -0.083 0.000 2.363 7 D HA -0.083 4.555 4.640 -0.004 0.000 0.226 7 D C 1.903 178.202 176.300 -0.002 0.000 1.020 7 D CA 1.432 55.403 54.000 -0.048 0.000 0.892 7 D CB 0.191 40.983 40.800 -0.012 0.000 0.900 7 D HN 0.424 8.794 8.370 -0.000 0.000 0.531 8 T N -2.200 112.386 114.554 0.052 0.000 3.069 8 T HA 0.103 4.451 4.350 -0.004 0.000 0.252 8 T C 0.289 175.140 174.700 0.250 0.000 1.053 8 T CA -0.452 61.733 62.100 0.142 0.000 0.964 8 T CB -0.255 68.714 68.868 0.169 0.000 1.005 8 T HN 0.160 8.400 8.240 -0.000 0.000 0.532 9 Y N -2.331 117.992 120.300 0.038 0.000 2.581 9 Y HA 0.733 5.281 4.550 -0.003 0.000 0.337 9 Y C -3.462 172.462 175.900 0.039 0.000 1.108 9 Y CA -3.579 54.544 58.100 0.038 0.000 1.033 9 Y CB 0.141 38.619 38.460 0.029 0.000 1.318 9 Y HN -0.245 8.035 8.280 -0.000 0.000 0.459 10 P HA 0.039 4.459 4.420 -0.000 0.000 0.261 10 P C -0.181 177.131 177.300 0.020 0.000 1.183 10 P CA 0.380 63.530 63.100 0.083 0.000 0.761 10 P CB 0.630 32.414 31.700 0.139 0.000 0.785 11 Q N 2.009 121.789 119.800 -0.032 0.000 2.194 11 Q HA 0.229 4.567 4.340 -0.004 0.000 0.214 11 Q C 0.062 176.085 176.000 0.040 0.000 0.838 11 Q CA 0.147 55.924 55.803 -0.044 0.000 0.972 11 Q CB 0.565 29.241 28.738 -0.103 0.000 1.131 11 Q HN 0.427 8.697 8.270 -0.000 0.000 0.498 12 I N 0.538 121.153 120.570 0.075 0.000 2.377 12 I HA 0.221 4.389 4.170 -0.004 0.000 0.293 12 I C 0.460 176.657 176.117 0.135 0.000 0.987 12 I CA -0.965 60.386 61.300 0.086 0.000 1.185 12 I CB 1.071 39.113 38.000 0.070 0.000 1.341 12 I HN -0.056 8.154 8.210 -0.000 0.000 0.455 13 C N 3.339 122.705 119.300 0.109 0.000 2.580 13 C HA 0.268 4.725 4.460 -0.004 0.000 0.371 13 C C 1.437 176.412 174.990 -0.026 0.000 1.308 13 C CA -0.218 58.866 59.018 0.110 0.000 2.428 13 C CB 1.121 28.910 27.740 0.081 0.000 2.529 13 C HN 0.881 9.111 8.230 -0.000 0.000 0.657 14 S N 2.410 117.949 115.700 -0.269 0.000 2.568 14 S HA 0.087 4.555 4.470 -0.004 0.000 0.282 14 S C -0.947 173.513 174.600 -0.232 0.000 1.338 14 S CA -0.611 57.265 58.200 -0.541 0.000 1.045 14 S CB 0.600 63.188 63.200 -1.020 0.000 0.873 14 S HN 0.682 8.992 8.310 -0.000 0.000 0.516 15 P HA -0.010 4.410 4.420 -0.000 0.000 0.230 15 P C 0.127 177.377 177.300 -0.084 0.000 1.158 15 P CA 0.645 63.691 63.100 -0.091 0.000 0.769 15 P CB -0.048 31.612 31.700 -0.065 0.000 0.807 16 N N -0.054 118.574 118.700 -0.121 0.000 2.313 16 N HA 0.149 4.887 4.740 -0.004 0.000 0.207 16 N C 0.815 176.289 175.510 -0.060 0.000 1.141 16 N CA 0.038 53.039 53.050 -0.082 0.000 0.830 16 N CB 0.112 38.548 38.487 -0.085 0.000 1.008 16 N HN 0.174 8.554 8.380 -0.000 0.000 0.481 17 A N 0.182 122.966 122.820 -0.060 0.000 2.246 17 A HA 0.573 4.891 4.320 -0.004 0.000 0.291 17 A C 0.482 178.067 177.584 0.002 0.000 1.103 17 A CA -0.522 51.504 52.037 -0.019 0.000 0.844 17 A CB 0.484 19.478 19.000 -0.010 0.000 1.136 17 A HN 0.176 8.326 8.150 -0.000 0.000 0.500 18 L N 1.159 122.396 121.223 0.023 0.000 2.464 18 L HA 0.268 4.606 4.340 -0.004 0.000 0.264 18 L C -1.685 175.204 176.870 0.032 0.000 1.199 18 L CA -1.557 53.300 54.840 0.028 0.000 0.818 18 L CB 0.137 42.220 42.059 0.039 0.000 1.102 18 L HN 0.532 8.762 8.230 -0.000 0.000 0.473 19 P HA 0.045 4.465 4.420 -0.000 0.000 0.272 19 P C 0.545 177.885 177.300 0.066 0.000 1.230 19 P CA 0.366 63.479 63.100 0.023 0.000 0.788 19 P CB 0.913 32.611 31.700 -0.003 0.000 0.949 20 G N 0.371 109.212 108.800 0.068 0.000 2.179 20 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.260 20 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.260 20 G C 0.281 175.315 174.900 0.223 0.000 0.977 20 G CA 0.475 45.699 45.100 0.207 0.000 0.641 20 G HN 0.931 9.221 8.290 -0.000 0.000 0.533 21 T N -1.050 113.581 114.554 0.128 0.000 2.928 21 T HA 0.630 4.978 4.350 -0.004 0.000 0.284 21 T C -2.530 172.230 174.700 0.100 0.000 1.008 21 T CA -1.863 60.304 62.100 0.113 0.000 1.057 21 T CB 2.264 71.182 68.868 0.084 0.000 1.018 21 T HN 0.006 8.246 8.240 -0.000 0.000 0.493 22 P HA 0.176 4.596 4.420 -0.000 0.000 0.258 22 P C 1.176 178.514 177.300 0.064 0.000 1.172 22 P CA 1.539 64.691 63.100 0.087 0.000 0.762 22 P CB -0.119 31.634 31.700 0.088 0.000 0.764 23 G N 3.390 112.221 108.800 0.052 0.000 2.225 23 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.254 23 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.254 23 G C 0.629 175.542 174.900 0.021 0.000 0.988 23 G CA -0.229 44.891 45.100 0.034 0.000 0.625 23 G HN 0.562 8.852 8.290 -0.000 0.000 0.527 24 N N 0.510 119.226 118.700 0.026 0.000 2.416 24 N HA 0.312 5.050 4.740 -0.004 0.000 0.267 24 N C 0.471 175.983 175.510 0.004 0.000 1.294 24 N CA -0.012 53.044 53.050 0.010 0.000 0.891 24 N CB 0.508 39.001 38.487 0.010 0.000 1.238 24 N HN 0.429 8.809 8.380 -0.000 0.000 0.508 25 L N 0.859 122.085 121.223 0.006 0.000 2.418 25 L HA 0.311 4.649 4.340 -0.004 0.000 0.265 25 L C 1.355 178.193 176.870 -0.053 0.000 1.143 25 L CA -0.388 54.438 54.840 -0.023 0.000 0.809 25 L CB 0.714 42.776 42.059 0.006 0.000 1.124 25 L HN 0.087 8.317 8.230 -0.000 0.000 0.456 26 T N -1.973 112.517 114.554 -0.106 0.000 2.824 26 T HA 0.170 4.517 4.350 -0.004 0.000 0.277 26 T C 0.826 175.474 174.700 -0.086 0.000 0.975 26 T CA -0.721 61.320 62.100 -0.099 0.000 0.966 26 T CB 1.568 70.355 68.868 -0.136 0.000 1.054 26 T HN 0.497 8.737 8.240 -0.000 0.000 0.533 27 K N 0.271 120.632 120.400 -0.066 0.000 2.057 27 K HA -0.090 4.228 4.320 -0.004 0.000 0.207 27 K C 2.202 178.768 176.600 -0.057 0.000 1.049 27 K CA 1.440 57.699 56.287 -0.047 0.000 0.931 27 K CB -0.419 32.060 32.500 -0.035 0.000 0.714 27 K HN 0.606 8.856 8.250 -0.000 0.000 0.440 28 E N 0.537 120.687 120.200 -0.084 0.000 2.153 28 E HA -0.180 4.168 4.350 -0.004 0.000 0.194 28 E C 2.042 178.570 176.600 -0.121 0.000 0.988 28 E CA 1.153 57.500 56.400 -0.088 0.000 0.811 28 E CB -0.067 29.572 29.700 -0.103 0.000 0.746 28 E HN 0.520 8.880 8.360 -0.000 0.000 0.466 29 Q N 0.305 119.972 119.800 -0.222 0.000 2.123 29 Q HA -0.089 4.249 4.340 -0.004 0.000 0.199 29 Q C 2.031 178.029 176.000 -0.004 0.000 0.966 29 Q CA 0.841 56.461 55.803 -0.305 0.000 0.845 29 Q CB 0.010 28.396 28.738 -0.586 0.000 0.907 29 Q HN 0.370 8.640 8.270 -0.000 0.000 0.439 30 E N 1.024 121.218 120.200 -0.009 0.000 2.051 30 E HA -0.199 4.149 4.350 -0.004 0.000 0.192 30 E C 1.831 178.466 176.600 0.057 0.000 0.991 30 E CA 1.082 57.506 56.400 0.040 0.000 0.799 30 E CB 0.030 29.740 29.700 0.016 0.000 0.748 30 E HN 0.402 8.762 8.360 -0.000 0.000 0.449 31 E N 0.725 120.945 120.200 0.033 0.000 2.110 31 E HA -0.163 4.185 4.350 -0.004 0.000 0.193 31 E C 2.070 178.714 176.600 0.074 0.000 0.988 31 E CA 0.867 57.291 56.400 0.041 0.000 0.804 31 E CB -0.115 29.597 29.700 0.019 0.000 0.745 31 E HN 0.209 8.569 8.360 -0.000 0.000 0.458 32 A N 1.336 124.217 122.820 0.102 0.000 1.930 32 A HA -0.142 4.176 4.320 -0.004 0.000 0.217 32 A C 2.170 179.875 177.584 0.202 0.000 1.175 32 A CA 0.903 53.035 52.037 0.158 0.000 0.627 32 A CB -0.427 18.727 19.000 0.257 0.000 0.815 32 A HN 0.222 8.372 8.150 -0.000 0.000 0.443 33 L N -0.085 121.273 121.223 0.225 0.000 2.027 33 L HA -0.084 4.254 4.340 -0.004 0.000 0.206 33 L C 2.237 179.205 176.870 0.163 0.000 1.074 33 L CA 1.666 56.647 54.840 0.235 0.000 0.745 33 L CB -0.595 41.588 42.059 0.205 0.000 0.898 33 L HN 0.394 8.624 8.230 -0.000 0.000 0.433 34 L N -0.798 120.489 121.223 0.107 0.000 2.042 34 L HA -0.253 4.085 4.340 -0.004 0.000 0.210 34 L C 2.714 179.621 176.870 0.062 0.000 1.076 34 L CA 1.812 56.689 54.840 0.062 0.000 0.749 34 L CB -0.680 41.406 42.059 0.045 0.000 0.893 34 L HN 0.482 8.712 8.230 -0.000 0.000 0.432 35 Q N -0.506 119.348 119.800 0.090 0.000 2.079 35 Q HA -0.231 4.107 4.340 -0.004 0.000 0.200 35 Q C 2.281 178.359 176.000 0.129 0.000 0.974 35 Q CA 1.549 57.405 55.803 0.087 0.000 0.840 35 Q CB -0.095 28.694 28.738 0.085 0.000 0.898 35 Q HN 0.368 8.638 8.270 -0.000 0.000 0.430 36 F N 1.607 121.536 119.950 -0.036 0.000 2.095 36 F HA -0.202 4.322 4.527 -0.004 0.000 0.298 36 F C 2.394 178.112 175.800 -0.136 0.000 1.104 36 F CA 1.958 59.905 58.000 -0.087 0.000 1.232 36 F CB -0.509 38.436 39.000 -0.092 0.000 0.987 36 F HN -0.002 8.299 8.300 -0.000 0.000 0.475 37 R N -0.375 120.027 120.500 -0.163 0.000 2.081 37 R HA -0.158 4.180 4.340 -0.004 0.000 0.235 37 R C 2.608 178.793 176.300 -0.191 0.000 1.131 37 R CA 1.587 57.503 56.100 -0.306 0.000 0.960 37 R CB -0.774 29.419 30.300 -0.178 0.000 0.856 37 R HN 0.352 8.622 8.270 -0.000 0.000 0.436 38 S N 0.239 115.890 115.700 -0.081 0.000 2.370 38 S HA -0.134 4.334 4.470 -0.004 0.000 0.226 38 S C 1.915 176.489 174.600 -0.043 0.000 1.033 38 S CA 1.475 59.648 58.200 -0.045 0.000 1.011 38 S CB -0.206 62.989 63.200 -0.009 0.000 0.852 38 S HN 0.392 8.702 8.310 -0.000 0.000 0.457 39 I N 1.031 121.581 120.570 -0.033 0.000 2.202 39 I HA -0.165 4.003 4.170 -0.004 0.000 0.242 39 I C 2.201 178.299 176.117 -0.031 0.000 1.091 39 I CA 1.073 62.369 61.300 -0.007 0.000 1.368 39 I CB -0.322 37.706 38.000 0.046 0.000 1.058 39 I HN 0.306 8.516 8.210 -0.000 0.000 0.410 40 L N 0.064 121.195 121.223 -0.153 0.000 2.083 40 L HA -0.219 4.119 4.340 -0.004 0.000 0.209 40 L C 2.523 179.407 176.870 0.025 0.000 1.083 40 L CA 1.261 56.019 54.840 -0.138 0.000 0.752 40 L CB -0.515 41.191 42.059 -0.588 0.000 0.899 40 L HN 0.276 8.506 8.230 -0.000 0.000 0.433 41 L N -0.319 120.869 121.223 -0.059 0.000 2.046 41 L HA -0.224 4.114 4.340 -0.004 0.000 0.208 41 L C 2.525 179.388 176.870 -0.011 0.000 1.077 41 L CA 1.295 56.120 54.840 -0.026 0.000 0.747 41 L CB -0.372 41.658 42.059 -0.048 0.000 0.896 41 L HN 0.312 8.542 8.230 -0.000 0.000 0.432 42 E N 0.345 120.540 120.200 -0.008 0.000 2.338 42 E HA -0.180 4.168 4.350 -0.004 0.000 0.197 42 E C 1.472 178.072 176.600 -0.000 0.000 1.007 42 E CA 0.725 57.122 56.400 -0.005 0.000 0.849 42 E CB 0.254 29.955 29.700 0.001 0.000 0.774 42 E HN 0.353 8.713 8.360 -0.000 0.000 0.506 43 K N 0.023 120.441 120.400 0.030 0.000 2.437 43 K HA 0.087 4.405 4.320 -0.004 0.000 0.198 43 K C 0.127 176.636 176.600 -0.152 0.000 1.024 43 K CA 0.135 56.434 56.287 0.020 0.000 1.148 43 K CB 0.326 32.941 32.500 0.191 0.000 0.860 43 K HN 0.027 8.277 8.250 -0.000 0.000 0.515 44 N N -0.470 118.154 118.700 -0.127 0.000 2.901 44 N HA -0.182 4.556 4.740 -0.004 0.000 0.248 44 N C -1.288 174.055 175.510 -0.279 0.000 1.044 44 N CA 0.608 53.541 53.050 -0.195 0.000 0.847 44 N CB -1.382 36.975 38.487 -0.217 0.000 1.127 44 N HN 0.204 8.584 8.380 -0.000 0.000 0.562 45 Y N 0.269 120.557 120.300 -0.020 0.000 2.301 45 Y HA 0.349 4.897 4.550 -0.003 0.000 0.328 45 Y C 1.733 177.620 175.900 -0.021 0.000 1.242 45 Y CA 0.354 58.458 58.100 0.006 0.000 1.323 45 Y CB 1.244 39.725 38.460 0.036 0.000 1.266 45 Y HN 0.030 8.310 8.280 -0.000 0.000 0.527 46 K N 0.109 120.597 120.400 0.147 0.000 2.567 46 K HA 0.195 4.513 4.320 -0.004 0.000 0.199 46 K C -0.392 176.256 176.600 0.080 0.000 1.412 46 K CA 0.074 56.403 56.287 0.070 0.000 1.020 46 K CB 0.417 32.935 32.500 0.031 0.000 1.487 46 K HN 0.722 8.972 8.250 -0.000 0.000 0.531 47 E N 1.225 121.497 120.200 0.119 0.000 2.349 47 E HA 0.217 4.565 4.350 -0.004 0.000 0.262 47 E C -0.772 175.923 176.600 0.157 0.000 1.088 47 E CA -0.421 56.045 56.400 0.110 0.000 0.899 47 E CB 0.910 30.667 29.700 0.095 0.000 1.044 47 E HN 0.102 8.462 8.360 -0.000 0.000 0.420 48 R N 0.732 121.309 120.500 0.129 0.000 3.525 48 R HA -0.205 4.133 4.340 -0.004 0.000 0.276 48 R C 0.134 176.522 176.300 0.146 0.000 1.116 48 R CA 0.152 56.353 56.100 0.169 0.000 0.745 48 R CB -1.730 28.694 30.300 0.207 0.000 1.185 48 R HN 0.526 8.796 8.270 -0.000 0.000 0.454 49 L N 0.647 121.887 121.223 0.027 0.000 2.818 49 L HA 0.105 4.443 4.340 -0.004 0.000 0.243 49 L C 0.997 177.824 176.870 -0.072 0.000 1.185 49 L CA -0.330 54.440 54.840 -0.117 0.000 0.988 49 L CB -0.117 41.850 42.059 -0.152 0.000 1.292 49 L HN 0.251 8.481 8.230 -0.000 0.000 0.519 50 D N -0.996 119.404 120.400 0.001 0.000 2.368 50 D HA -0.066 4.572 4.640 -0.004 0.000 0.240 50 D C 0.103 176.421 176.300 0.031 0.000 1.169 50 D CA -0.355 53.652 54.000 0.011 0.000 0.906 50 D CB 1.536 42.350 40.800 0.024 0.000 1.187 50 D HN -0.087 8.283 8.370 -0.000 0.000 0.435 51 D N 0.631 121.050 120.400 0.032 0.000 2.126 51 D HA -0.221 4.417 4.640 -0.004 0.000 0.190 51 D C 1.875 178.234 176.300 0.099 0.000 1.001 51 D CA 1.662 55.700 54.000 0.063 0.000 0.841 51 D CB -0.569 40.264 40.800 0.055 0.000 0.949 51 D HN 0.480 8.850 8.370 -0.000 0.000 0.446 52 S N -0.513 115.243 115.700 0.093 0.000 2.353 52 S HA -0.185 4.283 4.470 -0.004 0.000 0.222 52 S C 2.046 176.744 174.600 0.163 0.000 1.035 52 S CA 2.266 60.538 58.200 0.122 0.000 1.025 52 S CB -0.486 62.784 63.200 0.117 0.000 0.902 52 S HN 0.263 8.573 8.310 -0.000 0.000 0.440 53 T N 3.025 117.690 114.554 0.186 0.000 2.674 53 T HA -0.004 4.343 4.350 -0.004 0.000 0.265 53 T C 1.808 176.752 174.700 0.407 0.000 1.039 53 T CA 1.583 63.858 62.100 0.292 0.000 1.150 53 T CB -0.493 68.551 68.868 0.294 0.000 0.864 53 T HN 0.326 8.566 8.240 -0.000 0.000 0.427 54 L N 0.360 121.743 121.223 0.267 0.000 2.083 54 L HA -0.027 4.311 4.340 -0.004 0.000 0.209 54 L C 2.468 179.557 176.870 0.366 0.000 1.083 54 L CA 1.102 56.134 54.840 0.320 0.000 0.752 54 L CB -0.622 41.488 42.059 0.084 0.000 0.899 54 L HN 0.266 8.496 8.230 -0.000 0.000 0.433 55 L N -0.804 120.549 121.223 0.218 0.000 2.201 55 L HA -0.142 4.196 4.340 -0.004 0.000 0.212 55 L C 2.784 179.681 176.870 0.045 0.000 1.105 55 L CA 0.828 55.736 54.840 0.113 0.000 0.775 55 L CB -0.399 41.747 42.059 0.146 0.000 0.913 55 L HN 0.201 8.431 8.230 -0.000 0.000 0.440 56 R N -0.666 119.898 120.500 0.106 0.000 2.075 56 R HA -0.131 4.207 4.340 -0.004 0.000 0.232 56 R C 2.266 178.486 176.300 -0.134 0.000 1.126 56 R CA 1.469 57.554 56.100 -0.025 0.000 0.963 56 R CB -0.315 29.952 30.300 -0.054 0.000 0.858 56 R HN 0.215 8.485 8.270 -0.000 0.000 0.435 57 F N 0.754 120.711 119.950 0.012 0.000 2.146 57 F HA -0.112 4.414 4.527 -0.003 0.000 0.298 57 F C 2.234 177.884 175.800 -0.251 0.000 1.096 57 F CA 1.012 58.998 58.000 -0.024 0.000 1.275 57 F CB -0.391 38.730 39.000 0.201 0.000 1.008 57 F HN -0.074 8.226 8.300 -0.000 0.000 0.480 58 L N -0.404 120.678 121.223 -0.236 0.000 2.046 58 L HA -0.215 4.123 4.340 -0.004 0.000 0.208 58 L C 2.590 178.978 176.870 -0.803 0.000 1.077 58 L CA 1.380 55.773 54.840 -0.745 0.000 0.747 58 L CB -0.511 40.883 42.059 -1.108 0.000 0.896 58 L HN 0.041 8.271 8.230 -0.000 0.000 0.432 59 R N -0.292 119.881 120.500 -0.545 0.000 2.092 59 R HA -0.109 4.229 4.340 -0.004 0.000 0.231 59 R C 2.333 178.528 176.300 -0.175 0.000 1.119 59 R CA 1.209 57.153 56.100 -0.259 0.000 0.970 59 R CB -0.464 29.793 30.300 -0.071 0.000 0.864 59 R HN 0.342 8.612 8.270 -0.000 0.000 0.440 60 A N 0.903 123.606 122.820 -0.195 0.000 2.070 60 A HA -0.098 4.220 4.320 -0.004 0.000 0.220 60 A C 1.494 178.995 177.584 -0.139 0.000 1.159 60 A CA 1.155 53.092 52.037 -0.167 0.000 0.656 60 A CB 0.049 18.920 19.000 -0.215 0.000 0.800 60 A HN 0.073 8.223 8.150 -0.000 0.000 0.453 61 R N -1.524 118.878 120.500 -0.163 0.000 2.662 61 R HA 0.199 4.537 4.340 -0.004 0.000 0.396 61 R C -0.466 175.772 176.300 -0.104 0.000 1.096 61 R CA -0.181 55.842 56.100 -0.128 0.000 1.081 61 R CB 0.046 30.266 30.300 -0.134 0.000 1.382 61 R HN 0.346 8.616 8.270 -0.000 0.000 0.580 62 K N -0.053 120.305 120.400 -0.070 0.000 3.035 62 K HA -0.215 4.103 4.320 -0.004 0.000 0.262 62 K C -0.422 176.284 176.600 0.176 0.000 1.024 62 K CA 0.535 56.863 56.287 0.068 0.000 0.748 62 K CB -2.196 30.334 32.500 0.049 0.000 1.247 62 K HN 0.349 8.599 8.250 -0.000 0.000 0.482 63 F N -2.002 117.894 119.950 -0.090 0.000 3.034 63 F HA -0.282 4.243 4.527 -0.003 0.000 0.286 63 F C 0.599 176.327 175.800 -0.120 0.000 0.804 63 F CA 1.097 59.031 58.000 -0.111 0.000 1.161 63 F CB -0.906 38.051 39.000 -0.071 0.000 1.317 63 F HN 0.328 8.628 8.300 -0.000 0.000 0.453 64 D N 1.715 122.083 120.400 -0.053 0.000 2.374 64 D HA 0.214 4.852 4.640 -0.004 0.000 0.240 64 D C 1.285 177.500 176.300 -0.141 0.000 1.229 64 D CA -0.001 53.965 54.000 -0.056 0.000 0.895 64 D CB 0.246 41.015 40.800 -0.052 0.000 1.046 64 D HN 0.338 8.708 8.370 -0.000 0.000 0.498 65 I N 3.169 123.665 120.570 -0.123 0.000 2.118 65 I HA -0.343 3.825 4.170 -0.004 0.000 0.241 65 I C 1.952 177.986 176.117 -0.137 0.000 1.070 65 I CA 0.764 61.950 61.300 -0.190 0.000 1.327 65 I CB -0.191 37.773 38.000 -0.060 0.000 1.034 65 I HN 0.381 8.591 8.210 -0.000 0.000 0.405 66 N N 1.092 119.762 118.700 -0.050 0.000 2.166 66 N HA -0.124 4.613 4.740 -0.004 0.000 0.186 66 N C 1.872 177.373 175.510 -0.015 0.000 1.019 66 N CA 1.595 54.640 53.050 -0.008 0.000 0.856 66 N CB -0.367 38.123 38.487 0.006 0.000 0.993 66 N HN 0.384 8.764 8.380 -0.000 0.000 0.426 67 A N 0.525 123.318 122.820 -0.046 0.000 1.930 67 A HA -0.027 4.291 4.320 -0.004 0.000 0.217 67 A C 2.462 180.022 177.584 -0.039 0.000 1.175 67 A CA 1.383 53.398 52.037 -0.036 0.000 0.627 67 A CB -0.455 18.515 19.000 -0.050 0.000 0.815 67 A HN 0.237 8.387 8.150 -0.000 0.000 0.443 68 S N -0.453 115.162 115.700 -0.141 0.000 2.387 68 S HA -0.086 4.381 4.470 -0.004 0.000 0.226 68 S C 1.850 176.486 174.600 0.061 0.000 1.026 68 S CA 1.231 59.317 58.200 -0.190 0.000 0.972 68 S CB -0.313 62.426 63.200 -0.768 0.000 0.814 68 S HN 0.335 8.645 8.310 -0.000 0.000 0.477 69 V N 2.203 122.187 119.914 0.117 0.000 2.343 69 V HA -0.187 3.931 4.120 -0.004 0.000 0.247 69 V C 2.308 178.505 176.094 0.172 0.000 1.051 69 V CA 1.674 64.144 62.300 0.283 0.000 1.036 69 V CB -0.671 31.270 31.823 0.197 0.000 0.654 69 V HN 0.506 8.696 8.190 -0.000 0.000 0.451 70 E N -0.391 119.876 120.200 0.113 0.000 2.077 70 E HA -0.280 4.068 4.350 -0.004 0.000 0.193 70 E C 2.159 178.829 176.600 0.117 0.000 0.989 70 E CA 1.685 58.143 56.400 0.096 0.000 0.800 70 E CB -0.240 29.497 29.700 0.063 0.000 0.746 70 E HN 0.560 8.920 8.360 -0.000 0.000 0.452 71 M N 0.162 119.851 119.600 0.148 0.000 2.132 71 M HA -0.153 4.325 4.480 -0.004 0.000 0.263 71 M C 2.062 178.514 176.300 0.252 0.000 1.065 71 M CA 1.359 56.788 55.300 0.215 0.000 1.122 71 M CB -0.032 32.732 32.600 0.273 0.000 1.365 71 M HN 0.102 8.392 8.290 -0.000 0.000 0.411 72 F N 0.161 120.080 119.950 -0.051 0.000 2.113 72 F HA -0.156 4.369 4.527 -0.003 0.000 0.297 72 F C 1.873 177.480 175.800 -0.322 0.000 1.103 72 F CA 1.570 59.275 58.000 -0.492 0.000 1.248 72 F CB -0.421 38.171 39.000 -0.680 0.000 0.999 72 F HN -0.115 8.185 8.300 -0.000 0.000 0.475 73 V N 0.518 120.421 119.914 -0.020 0.000 2.287 73 V HA -0.281 3.837 4.120 -0.004 0.000 0.248 73 V C 2.408 178.496 176.094 -0.010 0.000 1.053 73 V CA 2.165 64.436 62.300 -0.047 0.000 1.027 73 V CB -0.616 31.260 31.823 0.090 0.000 0.646 73 V HN 0.299 8.489 8.190 -0.000 0.000 0.447 74 E N -0.139 120.094 120.200 0.053 0.000 2.106 74 E HA -0.147 4.201 4.350 -0.004 0.000 0.192 74 E C 2.329 179.000 176.600 0.119 0.000 0.984 74 E CA 1.642 58.112 56.400 0.116 0.000 0.806 74 E CB -0.548 29.255 29.700 0.171 0.000 0.750 74 E HN 0.597 8.957 8.360 -0.000 0.000 0.458 75 T N 1.656 116.256 114.554 0.077 0.000 2.737 75 T HA -0.105 4.243 4.350 -0.004 0.000 0.265 75 T C 1.589 176.229 174.700 -0.099 0.000 1.038 75 T CA 0.973 63.108 62.100 0.058 0.000 1.144 75 T CB -0.017 68.922 68.868 0.118 0.000 0.866 75 T HN 0.077 8.317 8.240 -0.000 0.000 0.434 76 E N 1.236 121.268 120.200 -0.281 0.000 2.118 76 E HA -0.082 4.266 4.350 -0.004 0.000 0.195 76 E C 2.428 178.994 176.600 -0.057 0.000 0.992 76 E CA 0.930 57.201 56.400 -0.216 0.000 0.804 76 E CB -0.227 29.335 29.700 -0.230 0.000 0.741 76 E HN 0.434 8.794 8.360 -0.000 0.000 0.458 77 R N -0.513 119.982 120.500 -0.007 0.000 2.082 77 R HA -0.177 4.161 4.340 -0.004 0.000 0.234 77 R C 2.215 178.506 176.300 -0.016 0.000 1.136 77 R CA 1.700 57.813 56.100 0.022 0.000 0.935 77 R CB -0.598 29.740 30.300 0.064 0.000 0.842 77 R HN 0.250 8.520 8.270 -0.000 0.000 0.430 78 W N 1.924 123.083 121.300 -0.235 0.000 2.335 78 W HA -0.206 4.452 4.660 -0.004 0.000 0.311 78 W C 2.090 178.464 176.519 -0.240 0.000 1.213 78 W CA 1.514 58.642 57.345 -0.360 0.000 1.274 78 W CB -0.196 28.671 29.460 -0.989 0.000 1.148 78 W HN -0.056 8.124 8.180 -0.000 0.000 0.498 79 R N -0.136 120.198 120.500 -0.278 0.000 2.117 79 R HA -0.216 4.122 4.340 -0.004 0.000 0.243 79 R C 2.260 178.365 176.300 -0.323 0.000 1.143 79 R CA 1.717 57.585 56.100 -0.386 0.000 0.968 79 R CB -0.724 29.511 30.300 -0.109 0.000 0.863 79 R HN 0.305 8.575 8.270 -0.000 0.000 0.444 80 E N 0.636 120.711 120.200 -0.208 0.000 2.076 80 E HA -0.150 4.197 4.350 -0.004 0.000 0.190 80 E C 1.660 178.160 176.600 -0.167 0.000 0.979 80 E CA 0.932 57.246 56.400 -0.143 0.000 0.807 80 E CB 0.281 29.936 29.700 -0.076 0.000 0.761 80 E HN 0.229 8.589 8.360 -0.000 0.000 0.454 81 E N -0.230 119.857 120.200 -0.189 0.000 2.106 81 E HA -0.162 4.186 4.350 -0.004 0.000 0.192 81 E C 1.801 178.280 176.600 -0.201 0.000 0.984 81 E CA 0.700 57.008 56.400 -0.154 0.000 0.806 81 E CB -0.374 29.272 29.700 -0.091 0.000 0.750 81 E HN 0.359 8.719 8.360 -0.000 0.000 0.458 82 Y N 0.321 120.285 120.300 -0.560 0.000 2.475 82 Y HA 0.117 4.665 4.550 -0.005 0.000 0.289 82 Y C 1.304 176.966 175.900 -0.397 0.000 1.121 82 Y CA 1.231 58.984 58.100 -0.579 0.000 1.257 82 Y CB 0.455 38.195 38.460 -1.200 0.000 1.026 82 Y HN 0.163 8.443 8.280 -0.000 0.000 0.555 83 G N -0.360 108.283 108.800 -0.262 0.000 2.132 83 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.228 83 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.228 83 G C 1.138 175.975 174.900 -0.105 0.000 1.000 83 G CA 0.336 45.328 45.100 -0.181 0.000 0.693 83 G HN 0.758 9.048 8.290 -0.000 0.000 0.515 84 A N 0.079 122.827 122.820 -0.120 0.000 2.070 84 A HA -0.000 4.318 4.320 -0.004 0.000 0.220 84 A C 2.128 179.730 177.584 0.030 0.000 1.159 84 A CA 1.967 54.005 52.037 0.001 0.000 0.656 84 A CB -0.297 18.667 19.000 -0.060 0.000 0.800 84 A HN 0.476 8.626 8.150 -0.000 0.000 0.453 85 N N -0.277 118.411 118.700 -0.020 0.000 2.459 85 N HA -0.076 4.662 4.740 -0.004 0.000 0.181 85 N C 1.225 176.747 175.510 0.019 0.000 1.046 85 N CA 1.732 54.786 53.050 0.007 0.000 0.904 85 N CB -0.099 38.380 38.487 -0.014 0.000 0.964 85 N HN 0.699 9.079 8.380 -0.000 0.000 0.444 86 T N -3.087 111.473 114.554 0.010 0.000 3.145 86 T HA 0.290 4.638 4.350 -0.004 0.000 0.281 86 T C 1.511 176.236 174.700 0.042 0.000 1.003 86 T CA -0.386 61.727 62.100 0.022 0.000 0.901 86 T CB -0.213 68.656 68.868 0.001 0.000 1.112 86 T HN 0.007 8.247 8.240 -0.000 0.000 0.535 87 I N 1.019 121.621 120.570 0.053 0.000 2.264 87 I HA -0.080 4.088 4.170 -0.004 0.000 0.248 87 I C 1.953 178.145 176.117 0.125 0.000 1.111 87 I CA 1.480 62.825 61.300 0.075 0.000 1.382 87 I CB -0.011 38.045 38.000 0.093 0.000 1.060 87 I HN 0.296 8.506 8.210 -0.000 0.000 0.418 88 I N 0.359 121.013 120.570 0.139 0.000 2.286 88 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 88 I C 2.491 178.730 176.117 0.204 0.000 1.104 88 I CA 1.359 62.783 61.300 0.207 0.000 1.397 88 I CB -0.495 37.624 38.000 0.198 0.000 1.072 88 I HN 0.314 8.524 8.210 -0.000 0.000 0.417 89 E N 1.255 121.530 120.200 0.125 0.000 2.051 89 E HA -0.264 4.084 4.350 -0.004 0.000 0.192 89 E C 1.642 178.282 176.600 0.067 0.000 0.991 89 E CA 1.639 58.089 56.400 0.082 0.000 0.799 89 E CB 0.080 29.812 29.700 0.053 0.000 0.748 89 E HN 0.390 8.750 8.360 -0.000 0.000 0.449 90 D N -0.198 120.246 120.400 0.074 0.000 2.149 90 D HA -0.196 4.442 4.640 -0.004 0.000 0.198 90 D C 1.721 178.075 176.300 0.090 0.000 0.990 90 D CA 0.995 55.030 54.000 0.059 0.000 0.839 90 D CB -0.498 40.330 40.800 0.046 0.000 0.948 90 D HN 0.333 8.703 8.370 -0.000 0.000 0.460 91 Y N 1.959 122.270 120.300 0.017 0.000 2.145 91 Y HA -0.160 4.389 4.550 -0.003 0.000 0.286 91 Y C 1.875 177.786 175.900 0.019 0.000 1.145 91 Y CA 1.616 59.727 58.100 0.019 0.000 1.148 91 Y CB -0.402 38.074 38.460 0.026 0.000 0.981 91 Y HN -0.050 8.230 8.280 -0.000 0.000 0.507 92 E N -0.244 119.798 120.200 -0.262 0.000 2.333 92 E HA -0.159 4.189 4.350 -0.004 0.000 0.198 92 E C 1.204 177.685 176.600 -0.199 0.000 1.007 92 E CA 0.790 56.988 56.400 -0.337 0.000 0.845 92 E CB -0.107 29.519 29.700 -0.123 0.000 0.766 92 E HN 0.488 8.848 8.360 -0.000 0.000 0.507 93 N N 0.376 119.008 118.700 -0.114 0.000 2.336 93 N HA -0.018 4.720 4.740 -0.004 0.000 0.189 93 N C 0.220 175.692 175.510 -0.064 0.000 1.113 93 N CA 0.378 53.388 53.050 -0.068 0.000 0.858 93 N CB 0.553 39.023 38.487 -0.029 0.000 0.970 93 N HN 0.040 8.420 8.380 -0.000 0.000 0.471 94 N N 0.074 118.720 118.700 -0.089 0.000 2.545 94 N HA 0.101 4.839 4.740 -0.004 0.000 0.283 94 N C 0.783 176.247 175.510 -0.077 0.000 1.596 94 N CA -0.055 52.966 53.050 -0.048 0.000 0.862 94 N CB 0.398 38.887 38.487 0.003 0.000 1.422 94 N HN -0.141 8.239 8.380 -0.000 0.000 0.489 95 K N 0.354 120.627 120.400 -0.210 0.000 2.032 95 K HA -0.183 4.135 4.320 -0.004 0.000 0.209 95 K C 1.447 178.011 176.600 -0.060 0.000 1.048 95 K CA 1.551 57.656 56.287 -0.304 0.000 0.927 95 K CB 0.095 32.352 32.500 -0.405 0.000 0.712 95 K HN 0.400 8.650 8.250 -0.000 0.000 0.441 96 E N -0.240 119.941 120.200 -0.032 0.000 2.038 96 E HA -0.235 4.112 4.350 -0.004 0.000 0.195 96 E C 1.822 178.456 176.600 0.057 0.000 1.000 96 E CA 1.317 57.730 56.400 0.022 0.000 0.803 96 E CB -0.179 29.529 29.700 0.013 0.000 0.750 96 E HN 0.438 8.798 8.360 -0.000 0.000 0.448 97 A N 1.079 123.928 122.820 0.049 0.000 1.902 97 A HA -0.225 4.093 4.320 -0.004 0.000 0.217 97 A C 1.950 179.590 177.584 0.094 0.000 1.181 97 A CA 1.731 53.806 52.037 0.064 0.000 0.623 97 A CB -0.526 18.503 19.000 0.049 0.000 0.818 97 A HN 0.342 8.492 8.150 -0.000 0.000 0.443 98 E N -0.328 119.948 120.200 0.127 0.000 2.106 98 E HA -0.166 4.182 4.350 -0.004 0.000 0.192 98 E C 1.384 178.097 176.600 0.189 0.000 0.984 98 E CA 1.052 57.560 56.400 0.180 0.000 0.806 98 E CB -0.236 29.649 29.700 0.309 0.000 0.750 98 E HN 0.516 8.876 8.360 -0.000 0.000 0.458 99 D N 1.084 121.609 120.400 0.209 0.000 2.117 99 D HA -0.120 4.518 4.640 -0.004 0.000 0.197 99 D C 1.746 178.148 176.300 0.171 0.000 0.987 99 D CA 1.051 55.171 54.000 0.199 0.000 0.829 99 D CB -0.061 40.853 40.800 0.191 0.000 0.961 99 D HN 0.081 8.451 8.370 -0.000 0.000 0.460 100 K N 0.492 120.975 120.400 0.140 0.000 2.097 100 K HA -0.120 4.197 4.320 -0.004 0.000 0.206 100 K C 1.911 178.572 176.600 0.101 0.000 1.049 100 K CA 0.807 57.163 56.287 0.116 0.000 0.933 100 K CB 0.101 32.657 32.500 0.094 0.000 0.717 100 K HN 0.098 8.348 8.250 -0.000 0.000 0.442 101 E N 0.607 120.868 120.200 0.101 0.000 2.072 101 E HA -0.134 4.214 4.350 -0.004 0.000 0.191 101 E C 2.026 178.688 176.600 0.103 0.000 0.985 101 E CA 0.931 57.384 56.400 0.088 0.000 0.801 101 E CB -0.068 29.681 29.700 0.082 0.000 0.750 101 E HN 0.155 8.515 8.360 -0.000 0.000 0.452 102 R N 0.566 121.144 120.500 0.129 0.000 2.096 102 R HA 0.001 4.339 4.340 -0.004 0.000 0.235 102 R C 2.494 178.959 176.300 0.275 0.000 1.127 102 R CA 0.558 56.763 56.100 0.175 0.000 0.968 102 R CB -0.744 29.635 30.300 0.132 0.000 0.861 102 R HN 0.290 8.560 8.270 -0.000 0.000 0.440 103 I N 0.857 121.578 120.570 0.252 0.000 2.252 103 I HA -0.262 3.906 4.170 -0.004 0.000 0.245 103 I C 2.040 178.223 176.117 0.109 0.000 1.102 103 I CA 1.340 62.773 61.300 0.221 0.000 1.385 103 I CB -0.210 37.797 38.000 0.011 0.000 1.064 103 I HN 0.092 8.302 8.210 -0.000 0.000 0.414 104 K N 0.159 120.598 120.400 0.065 0.000 2.209 104 K HA -0.158 4.160 4.320 -0.004 0.000 0.204 104 K C 1.829 178.433 176.600 0.007 0.000 1.048 104 K CA 1.127 57.428 56.287 0.023 0.000 0.940 104 K CB -0.033 32.484 32.500 0.029 0.000 0.729 104 K HN 0.182 8.432 8.250 -0.000 0.000 0.451 105 L N -0.179 121.067 121.223 0.040 0.000 2.515 105 L HA 0.232 4.569 4.340 -0.004 0.000 0.223 105 L C 1.928 178.792 176.870 -0.010 0.000 1.079 105 L CA 0.638 55.494 54.840 0.026 0.000 0.857 105 L CB -0.085 42.016 42.059 0.070 0.000 1.050 105 L HN 0.019 8.249 8.230 -0.000 0.000 0.476 106 A N 0.093 122.916 122.820 0.005 0.000 1.884 106 A HA -0.344 3.973 4.320 -0.004 0.000 0.219 106 A C 2.413 179.683 177.584 -0.523 0.000 1.197 106 A CA 2.442 54.413 52.037 -0.109 0.000 0.637 106 A CB -0.648 18.326 19.000 -0.043 0.000 0.827 106 A HN 0.455 8.605 8.150 -0.000 0.000 0.450 107 K N -1.220 118.690 120.400 -0.817 0.000 2.097 107 K HA -0.078 4.240 4.320 -0.004 0.000 0.205 107 K C 2.129 178.385 176.600 -0.573 0.000 1.050 107 K CA 1.649 57.195 56.287 -1.236 0.000 0.938 107 K CB -0.201 31.778 32.500 -0.869 0.000 0.718 107 K HN 0.577 8.827 8.250 -0.000 0.000 0.442 108 M N -0.524 118.900 119.600 -0.293 0.000 2.349 108 M HA -0.086 4.391 4.480 -0.004 0.000 0.266 108 M C -0.253 176.032 176.300 -0.026 0.000 1.076 108 M CA 1.002 56.215 55.300 -0.146 0.000 1.126 108 M CB 0.447 32.984 32.600 -0.106 0.000 1.392 108 M HN 0.040 8.330 8.290 -0.000 0.000 0.440 109 Y N 1.451 121.656 120.300 -0.158 0.000 2.592 109 Y HA 0.504 5.059 4.550 0.008 0.000 0.354 109 Y C -2.855 173.037 175.900 -0.013 0.000 1.063 109 Y CA -3.833 54.221 58.100 -0.076 0.000 1.205 109 Y CB 0.082 38.507 38.460 -0.059 0.000 1.106 109 Y HN 0.013 8.293 8.280 -0.000 0.000 0.649 110 P HA 0.151 4.571 4.420 -0.000 0.000 0.263 110 P C -1.070 176.323 177.300 0.153 0.000 1.195 110 P CA 0.663 63.887 63.100 0.207 0.000 0.762 110 P CB 0.440 32.333 31.700 0.321 0.000 0.799 111 Q N 3.067 122.983 119.800 0.193 0.000 2.350 111 Q HA 0.445 4.782 4.340 -0.004 0.000 0.255 111 Q C -1.210 175.001 176.000 0.352 0.000 0.951 111 Q CA -0.680 55.136 55.803 0.022 0.000 0.751 111 Q CB 1.488 30.202 28.738 -0.041 0.000 1.296 111 Q HN 0.505 8.775 8.270 -0.000 0.000 0.453 112 Y N -0.889 119.448 120.300 0.062 0.000 2.581 112 Y HA 0.600 5.146 4.550 -0.006 0.000 0.337 112 Y C -1.812 174.292 175.900 0.341 0.000 1.108 112 Y CA -1.399 56.903 58.100 0.336 0.000 1.033 112 Y CB 0.850 39.523 38.460 0.356 0.000 1.318 112 Y HN 0.340 8.620 8.280 -0.000 0.000 0.459 113 Y N 1.075 121.789 120.300 0.690 0.000 2.334 113 Y HA 0.531 5.080 4.550 -0.001 0.000 0.328 113 Y C -0.374 176.037 175.900 0.851 0.000 1.130 113 Y CA -0.199 58.319 58.100 0.696 0.000 1.163 113 Y CB 1.395 40.199 38.460 0.572 0.000 1.207 113 Y HN 0.822 9.102 8.280 -0.000 0.000 0.471 114 H N 3.679 123.236 119.070 0.812 0.000 3.162 114 H HA 0.313 4.868 4.556 -0.002 0.000 0.309 114 H C -0.426 175.182 175.328 0.466 0.000 1.156 114 H CA -0.446 55.937 56.048 0.559 0.000 1.586 114 H CB -0.333 29.808 29.762 0.631 0.000 1.740 114 H HN 0.758 9.038 8.280 -0.000 0.000 0.525 115 H N 0.247 119.422 119.070 0.176 0.000 1.452 115 H HA -0.208 4.345 4.556 -0.004 0.000 0.090 115 H C -0.231 175.237 175.328 0.233 0.000 2.770 115 H CA 1.351 57.424 56.048 0.041 0.000 1.901 115 H CB -1.447 28.276 29.762 -0.064 0.000 2.257 115 H HN 0.519 8.799 8.280 -0.000 0.000 0.961 116 V N -0.887 119.223 119.914 0.328 0.000 3.182 116 V HA 0.589 4.707 4.120 -0.004 0.000 0.308 116 V C -0.096 176.124 176.094 0.209 0.000 1.240 116 V CA -0.189 62.273 62.300 0.271 0.000 1.063 116 V CB 2.295 34.227 31.823 0.183 0.000 1.076 116 V HN 0.958 9.148 8.190 -0.000 0.000 0.446 117 D N 0.010 120.519 120.400 0.182 0.000 2.478 117 D HA 0.313 4.951 4.640 -0.004 0.000 0.269 117 D C 0.698 177.067 176.300 0.115 0.000 1.232 117 D CA -0.473 53.612 54.000 0.142 0.000 1.059 117 D CB 0.735 41.620 40.800 0.141 0.000 1.104 117 D HN 0.597 8.967 8.370 -0.000 0.000 0.566 118 K N -1.027 119.431 120.400 0.097 0.000 2.360 118 K HA -0.082 4.236 4.320 -0.004 0.000 0.201 118 K C 0.485 177.151 176.600 0.109 0.000 1.046 118 K CA 1.076 57.413 56.287 0.085 0.000 0.945 118 K CB -0.005 32.535 32.500 0.067 0.000 0.750 118 K HN 0.388 8.638 8.250 -0.000 0.000 0.464 119 D N -0.884 119.597 120.400 0.135 0.000 2.349 119 D HA 0.045 4.683 4.640 -0.004 0.000 0.214 119 D C 1.011 177.425 176.300 0.191 0.000 1.063 119 D CA 0.652 54.767 54.000 0.193 0.000 0.847 119 D CB 1.048 41.962 40.800 0.191 0.000 0.933 119 D HN 0.368 8.738 8.370 -0.000 0.000 0.513 120 G N 1.691 110.562 108.800 0.119 0.000 2.159 120 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.227 120 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.227 120 G C 0.292 175.258 174.900 0.111 0.000 0.986 120 G CA -0.489 44.644 45.100 0.055 0.000 0.651 120 G HN 0.243 8.533 8.290 -0.000 0.000 0.523 121 R N 0.838 121.442 120.500 0.174 0.000 2.438 121 R HA 0.382 4.720 4.340 -0.004 0.000 0.287 121 R C -2.471 174.016 176.300 0.311 0.000 1.077 121 R CA -1.572 54.670 56.100 0.236 0.000 1.034 121 R CB 0.381 30.821 30.300 0.233 0.000 0.993 121 R HN 0.096 8.366 8.270 -0.000 0.000 0.459 122 P HA -0.093 4.327 4.420 -0.000 0.000 0.265 122 P C -0.913 176.714 177.300 0.545 0.000 1.193 122 P CA 0.010 63.464 63.100 0.590 0.000 0.765 122 P CB 0.447 32.490 31.700 0.571 0.000 0.823 123 L N 6.154 127.710 121.223 0.555 0.000 2.262 123 L HA 0.408 4.746 4.340 -0.004 0.000 0.288 123 L C -1.251 175.754 176.870 0.224 0.000 1.035 123 L CA -0.680 54.336 54.840 0.294 0.000 0.820 123 L CB -0.214 42.023 42.059 0.297 0.000 1.204 123 L HN 0.245 8.475 8.230 -0.000 0.000 0.424 124 Y N 5.447 125.560 120.300 -0.312 0.000 2.341 124 Y HA 0.637 5.186 4.550 -0.002 0.000 0.337 124 Y C -1.413 174.036 175.900 -0.752 0.000 1.014 124 Y CA -0.977 56.749 58.100 -0.623 0.000 1.111 124 Y CB 1.036 39.045 38.460 -0.751 0.000 1.194 124 Y HN 0.505 8.785 8.280 -0.000 0.000 0.462 125 F N 3.768 123.046 119.950 -1.120 0.000 2.508 125 F HA 0.541 5.064 4.527 -0.006 0.000 0.325 125 F C -0.310 174.765 175.800 -1.208 0.000 1.090 125 F CA -0.809 56.533 58.000 -1.097 0.000 0.945 125 F CB 1.907 40.198 39.000 -1.182 0.000 1.156 125 F HN 0.376 8.676 8.300 -0.000 0.000 0.463 126 E N 1.875 121.754 120.200 -0.536 0.000 2.275 126 E HA 0.318 4.666 4.350 -0.004 0.000 0.270 126 E C -1.414 175.168 176.600 -0.031 0.000 0.882 126 E CA -0.857 55.386 56.400 -0.263 0.000 0.758 126 E CB 2.616 32.236 29.700 -0.134 0.000 1.195 126 E HN 0.607 8.967 8.360 -0.000 0.000 0.419 127 E N 2.851 123.124 120.200 0.121 0.000 2.165 127 E HA 0.213 4.561 4.350 -0.004 0.000 0.266 127 E C -0.122 176.557 176.600 0.131 0.000 0.889 127 E CA -0.344 56.135 56.400 0.131 0.000 0.756 127 E CB 1.408 31.215 29.700 0.178 0.000 1.131 127 E HN 0.229 8.589 8.360 -0.000 0.000 0.411 128 L N 1.835 123.075 121.223 0.029 0.000 2.664 128 L HA 0.200 4.538 4.340 -0.004 0.000 0.233 128 L C 2.011 178.826 176.870 -0.091 0.000 1.113 128 L CA 0.463 55.258 54.840 -0.074 0.000 0.896 128 L CB 0.128 42.128 42.059 -0.098 0.000 1.163 128 L HN 0.746 8.976 8.230 -0.000 0.000 0.497 129 G N -0.278 108.491 108.800 -0.053 0.000 2.509 129 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.218 129 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.218 129 G C 1.460 176.319 174.900 -0.068 0.000 1.124 129 G CA 0.708 45.772 45.100 -0.061 0.000 0.776 129 G HN 0.469 8.759 8.290 -0.000 0.000 0.547 130 G N -0.092 108.667 108.800 -0.068 0.000 3.042 130 G HA2 0.280 4.238 3.960 -0.004 0.000 0.212 130 G HA3 0.280 4.238 3.960 -0.004 0.000 0.212 130 G C 0.516 175.354 174.900 -0.103 0.000 1.166 130 G CA -0.505 44.548 45.100 -0.078 0.000 0.767 130 G HN 0.377 8.667 8.290 -0.000 0.000 0.546 131 I N 1.837 122.326 120.570 -0.136 0.000 2.533 131 I HA 0.064 4.232 4.170 -0.004 0.000 0.284 131 I C -0.312 175.713 176.117 -0.153 0.000 1.109 131 I CA -0.253 60.937 61.300 -0.183 0.000 1.412 131 I CB 0.830 38.654 38.000 -0.293 0.000 1.396 131 I HN -0.004 8.206 8.210 -0.000 0.000 0.543 132 N N 7.636 126.247 118.700 -0.148 0.000 2.518 132 N HA 0.245 4.983 4.740 -0.004 0.000 0.254 132 N C 0.664 176.085 175.510 -0.149 0.000 0.979 132 N CA -0.393 52.586 53.050 -0.119 0.000 0.930 132 N CB 1.392 39.827 38.487 -0.087 0.000 1.152 132 N HN 0.589 8.969 8.380 -0.000 0.000 0.505 133 L N 3.003 124.134 121.223 -0.153 0.000 2.021 133 L HA -0.244 4.094 4.340 -0.004 0.000 0.215 133 L C 2.224 179.064 176.870 -0.050 0.000 1.074 133 L CA 1.504 56.244 54.840 -0.166 0.000 0.760 133 L CB -0.236 41.785 42.059 -0.063 0.000 0.889 133 L HN 0.517 8.747 8.230 -0.000 0.000 0.433 134 K N 0.261 120.660 120.400 -0.001 0.000 2.020 134 K HA -0.223 4.095 4.320 -0.004 0.000 0.212 134 K C 2.174 178.789 176.600 0.024 0.000 1.050 134 K CA 1.701 58.015 56.287 0.045 0.000 0.929 134 K CB -0.149 32.359 32.500 0.013 0.000 0.714 134 K HN 0.285 8.535 8.250 -0.000 0.000 0.443 135 K N 0.420 120.803 120.400 -0.028 0.000 2.097 135 K HA -0.087 4.231 4.320 -0.004 0.000 0.205 135 K C 2.177 178.740 176.600 -0.061 0.000 1.050 135 K CA 1.173 57.438 56.287 -0.036 0.000 0.938 135 K CB -0.071 32.399 32.500 -0.050 0.000 0.718 135 K HN 0.176 8.426 8.250 -0.000 0.000 0.442 136 M N -0.090 119.424 119.600 -0.143 0.000 2.117 136 M HA -0.169 4.309 4.480 -0.004 0.000 0.262 136 M C 1.079 177.262 176.300 -0.195 0.000 1.065 136 M CA 1.671 56.834 55.300 -0.227 0.000 1.114 136 M CB 0.046 32.395 32.600 -0.418 0.000 1.361 136 M HN 0.069 8.359 8.290 -0.000 0.000 0.408 137 Y N 0.552 120.840 120.300 -0.022 0.000 2.632 137 Y HA -0.027 4.520 4.550 -0.006 0.000 0.301 137 Y C 1.814 177.716 175.900 0.003 0.000 1.172 137 Y CA 0.801 58.896 58.100 -0.007 0.000 1.328 137 Y CB -0.593 37.865 38.460 -0.005 0.000 1.016 137 Y HN 0.254 8.534 8.280 -0.000 0.000 0.529 138 K N -0.759 119.707 120.400 0.109 0.000 2.356 138 K HA 0.164 4.482 4.320 -0.004 0.000 0.195 138 K C 1.293 177.928 176.600 0.058 0.000 1.037 138 K CA 0.613 56.945 56.287 0.075 0.000 1.014 138 K CB 0.300 32.826 32.500 0.044 0.000 0.815 138 K HN 0.331 8.581 8.250 -0.000 0.000 0.507 139 I N -0.617 119.982 120.570 0.048 0.000 3.790 139 I HA -0.003 4.164 4.170 -0.004 0.000 0.305 139 I C 0.988 177.141 176.117 0.059 0.000 1.253 139 I CA 0.314 61.639 61.300 0.041 0.000 1.355 139 I CB 1.043 39.055 38.000 0.020 0.000 1.137 139 I HN -0.072 8.138 8.210 -0.000 0.000 0.435 140 T N -0.161 114.439 114.554 0.076 0.000 2.841 140 T HA 0.484 4.832 4.350 -0.004 0.000 0.296 140 T C -0.551 174.263 174.700 0.191 0.000 1.166 140 T CA -0.416 61.745 62.100 0.103 0.000 1.007 140 T CB 1.739 70.652 68.868 0.075 0.000 1.253 140 T HN 0.187 8.427 8.240 -0.000 0.000 0.511 141 T N -0.548 114.117 114.554 0.186 0.000 2.940 141 T HA 0.504 4.851 4.350 -0.004 0.000 0.288 141 T C 1.011 175.863 174.700 0.254 0.000 1.045 141 T CA -0.670 61.562 62.100 0.221 0.000 1.018 141 T CB 1.676 70.619 68.868 0.124 0.000 1.151 141 T HN 0.608 8.848 8.240 -0.000 0.000 0.529 142 E N 0.336 120.690 120.200 0.256 0.000 2.051 142 E HA -0.154 4.194 4.350 -0.004 0.000 0.192 142 E C 1.577 178.350 176.600 0.288 0.000 0.991 142 E CA 1.134 57.708 56.400 0.289 0.000 0.799 142 E CB -0.032 29.810 29.700 0.237 0.000 0.748 142 E HN 0.471 8.831 8.360 -0.000 0.000 0.449 143 K N 0.571 121.097 120.400 0.209 0.000 2.148 143 K HA -0.162 4.156 4.320 -0.004 0.000 0.204 143 K C 2.114 178.829 176.600 0.192 0.000 1.050 143 K CA 0.972 57.380 56.287 0.201 0.000 0.942 143 K CB -0.372 32.214 32.500 0.143 0.000 0.724 143 K HN 0.322 8.572 8.250 -0.000 0.000 0.446 144 Q N 0.333 120.229 119.800 0.161 0.000 2.079 144 Q HA -0.046 4.292 4.340 -0.004 0.000 0.200 144 Q C 2.055 178.146 176.000 0.152 0.000 0.974 144 Q CA 1.198 57.079 55.803 0.131 0.000 0.840 144 Q CB 0.054 28.857 28.738 0.109 0.000 0.898 144 Q HN 0.233 8.503 8.270 -0.000 0.000 0.430 145 M N -0.006 119.709 119.600 0.192 0.000 2.175 145 M HA -0.158 4.320 4.480 -0.004 0.000 0.264 145 M C 2.139 178.606 176.300 0.278 0.000 1.063 145 M CA 1.116 56.545 55.300 0.216 0.000 1.119 145 M CB -0.128 32.581 32.600 0.181 0.000 1.377 145 M HN 0.296 8.586 8.290 -0.000 0.000 0.415 146 L N -0.411 121.014 121.223 0.336 0.000 2.046 146 L HA -0.222 4.115 4.340 -0.004 0.000 0.208 146 L C 2.728 179.715 176.870 0.196 0.000 1.077 146 L CA 1.381 56.372 54.840 0.251 0.000 0.747 146 L CB -0.424 41.789 42.059 0.257 0.000 0.896 146 L HN 0.285 8.515 8.230 -0.000 0.000 0.432 147 R N -0.189 120.455 120.500 0.238 0.000 2.115 147 R HA -0.155 4.182 4.340 -0.004 0.000 0.230 147 R C 2.017 178.379 176.300 0.102 0.000 1.111 147 R CA 1.328 57.570 56.100 0.235 0.000 0.976 147 R CB -0.012 30.372 30.300 0.139 0.000 0.870 147 R HN 0.371 8.641 8.270 -0.000 0.000 0.445 148 N N 0.610 119.347 118.700 0.062 0.000 2.166 148 N HA -0.172 4.566 4.740 -0.004 0.000 0.186 148 N C 1.512 176.972 175.510 -0.082 0.000 1.019 148 N CA 0.845 53.889 53.050 -0.010 0.000 0.856 148 N CB -0.236 38.258 38.487 0.011 0.000 0.993 148 N HN 0.151 8.531 8.380 -0.000 0.000 0.426 149 L N 0.596 121.752 121.223 -0.112 0.000 2.056 149 L HA -0.024 4.314 4.340 -0.004 0.000 0.207 149 L C 1.945 178.418 176.870 -0.662 0.000 1.078 149 L CA 1.167 55.792 54.840 -0.358 0.000 0.749 149 L CB -0.542 41.310 42.059 -0.346 0.000 0.901 149 L HN -0.092 8.138 8.230 -0.000 0.000 0.433 150 V N -0.179 119.508 119.914 -0.379 0.000 2.407 150 V HA -0.307 3.811 4.120 -0.004 0.000 0.248 150 V C 2.618 178.678 176.094 -0.056 0.000 1.055 150 V CA 2.022 64.187 62.300 -0.226 0.000 1.049 150 V CB -0.684 31.259 31.823 0.200 0.000 0.662 150 V HN 0.522 8.712 8.190 -0.000 0.000 0.455 151 K N 0.246 120.628 120.400 -0.030 0.000 2.097 151 K HA -0.259 4.059 4.320 -0.004 0.000 0.206 151 K C 2.154 178.739 176.600 -0.025 0.000 1.049 151 K CA 1.825 58.105 56.287 -0.010 0.000 0.933 151 K CB -0.114 32.339 32.500 -0.078 0.000 0.717 151 K HN 0.384 8.634 8.250 -0.000 0.000 0.442 152 E N -0.072 120.075 120.200 -0.089 0.000 2.106 152 E HA -0.186 4.161 4.350 -0.004 0.000 0.192 152 E C 1.618 178.288 176.600 0.118 0.000 0.984 152 E CA 1.398 57.785 56.400 -0.021 0.000 0.806 152 E CB -0.289 29.376 29.700 -0.059 0.000 0.750 152 E HN 0.378 8.738 8.360 -0.000 0.000 0.458 153 Y N 1.108 121.340 120.300 -0.114 0.000 2.181 153 Y HA -0.100 4.448 4.550 -0.004 0.000 0.288 153 Y C 2.199 178.146 175.900 0.077 0.000 1.146 153 Y CA 1.355 59.361 58.100 -0.157 0.000 1.164 153 Y CB -0.548 37.566 38.460 -0.576 0.000 0.982 153 Y HN 0.148 8.428 8.280 -0.000 0.000 0.515 154 E N -0.020 120.340 120.200 0.266 0.000 2.106 154 E HA -0.114 4.234 4.350 -0.004 0.000 0.192 154 E C 2.457 179.145 176.600 0.148 0.000 0.984 154 E CA 0.583 57.120 56.400 0.228 0.000 0.806 154 E CB -0.508 29.311 29.700 0.198 0.000 0.750 154 E HN 0.438 8.798 8.360 -0.000 0.000 0.458 155 L N -0.016 121.289 121.223 0.137 0.000 2.093 155 L HA -0.131 4.207 4.340 -0.004 0.000 0.208 155 L C 2.435 179.337 176.870 0.053 0.000 1.085 155 L CA 0.844 55.770 54.840 0.142 0.000 0.755 155 L CB -0.415 41.693 42.059 0.083 0.000 0.904 155 L HN 0.057 8.287 8.230 -0.000 0.000 0.435 156 F N 0.973 120.865 119.950 -0.098 0.000 2.102 156 F HA -0.245 4.280 4.527 -0.003 0.000 0.298 156 F C 2.429 178.164 175.800 -0.109 0.000 1.105 156 F CA 1.545 59.438 58.000 -0.178 0.000 1.239 156 F CB -0.197 38.738 39.000 -0.108 0.000 0.991 156 F HN -0.019 8.281 8.300 -0.000 0.000 0.474 157 A N -0.755 122.123 122.820 0.096 0.000 1.929 157 A HA -0.090 4.228 4.320 -0.004 0.000 0.216 157 A C 2.127 179.627 177.584 -0.140 0.000 1.176 157 A CA 2.010 54.050 52.037 0.004 0.000 0.628 157 A CB -1.275 17.839 19.000 0.189 0.000 0.816 157 A HN 0.457 8.607 8.150 -0.000 0.000 0.444 158 T N -1.823 112.619 114.554 -0.188 0.000 2.851 158 T HA 0.005 4.352 4.350 -0.004 0.000 0.262 158 T C 1.483 175.824 174.700 -0.599 0.000 1.043 158 T CA 1.630 63.480 62.100 -0.417 0.000 1.140 158 T CB -0.263 68.243 68.868 -0.603 0.000 0.872 158 T HN 0.586 8.826 8.240 -0.000 0.000 0.446 159 Y N 0.307 120.514 120.300 -0.155 0.000 2.609 159 Y HA 0.373 4.920 4.550 -0.004 0.000 0.281 159 Y C 2.493 178.268 175.900 -0.209 0.000 1.132 159 Y CA -0.371 57.640 58.100 -0.149 0.000 1.264 159 Y CB 0.006 38.400 38.460 -0.109 0.000 1.325 159 Y HN -0.084 8.196 8.280 -0.000 0.000 0.514 160 R N -0.218 120.130 120.500 -0.254 0.000 2.073 160 R HA -0.055 4.282 4.340 -0.004 0.000 0.229 160 R C 2.029 178.100 176.300 -0.381 0.000 1.120 160 R CA 1.349 57.226 56.100 -0.371 0.000 0.967 160 R CB -0.680 29.115 30.300 -0.842 0.000 0.862 160 R HN 0.130 8.400 8.270 -0.000 0.000 0.436 161 V N 1.706 121.255 119.914 -0.608 0.000 2.261 161 V HA -0.161 3.957 4.120 -0.004 0.000 0.246 161 V C -0.916 174.892 176.094 -0.475 0.000 1.047 161 V CA 1.894 63.888 62.300 -0.510 0.000 1.015 161 V CB -0.996 30.566 31.823 -0.434 0.000 0.642 161 V HN 0.206 8.396 8.190 -0.000 0.000 0.446 162 P HA -0.149 4.271 4.420 -0.000 0.000 0.214 162 P C 1.737 178.810 177.300 -0.378 0.000 1.163 162 P CA 2.109 64.626 63.100 -0.971 0.000 0.883 162 P CB -0.200 31.030 31.700 -0.784 0.000 0.788 163 A N -0.939 121.791 122.820 -0.151 0.000 1.883 163 A HA -0.252 4.065 4.320 -0.004 0.000 0.217 163 A C 2.400 179.932 177.584 -0.086 0.000 1.186 163 A CA 2.035 54.077 52.037 0.008 0.000 0.624 163 A CB -1.812 17.289 19.000 0.167 0.000 0.822 163 A HN 0.229 8.379 8.150 -0.000 0.000 0.444 164 C N -0.708 118.546 119.300 -0.076 0.000 2.435 164 C HA -0.011 4.447 4.460 -0.004 0.000 0.279 164 C C 3.242 178.110 174.990 -0.203 0.000 1.321 164 C CA 1.153 60.098 59.018 -0.121 0.000 1.752 164 C CB -1.236 26.500 27.740 -0.007 0.000 1.959 164 C HN 0.618 8.848 8.230 -0.000 0.000 0.500 165 S N 0.402 116.004 115.700 -0.163 0.000 2.383 165 S HA -0.102 4.366 4.470 -0.004 0.000 0.227 165 S C 1.986 176.521 174.600 -0.109 0.000 1.026 165 S CA 1.028 59.167 58.200 -0.103 0.000 0.981 165 S CB -0.235 63.026 63.200 0.102 0.000 0.818 165 S HN 0.628 8.938 8.310 -0.000 0.000 0.472 166 R N 0.950 121.402 120.500 -0.081 0.000 2.092 166 R HA 0.022 4.360 4.340 -0.004 0.000 0.231 166 R C 2.570 178.734 176.300 -0.226 0.000 1.119 166 R CA 1.043 57.136 56.100 -0.012 0.000 0.970 166 R CB -0.223 30.171 30.300 0.155 0.000 0.864 166 R HN 0.314 8.584 8.270 -0.000 0.000 0.440 167 R N 0.879 121.007 120.500 -0.621 0.000 2.066 167 R HA -0.058 4.280 4.340 -0.004 0.000 0.232 167 R C 1.999 178.019 176.300 -0.467 0.000 1.131 167 R CA 1.548 57.057 56.100 -0.985 0.000 0.955 167 R CB -0.179 29.517 30.300 -1.007 0.000 0.851 167 R HN 0.195 8.465 8.270 -0.000 0.000 0.432 168 A N -0.403 122.155 122.820 -0.436 0.000 2.119 168 A HA 0.158 4.476 4.320 -0.004 0.000 0.216 168 A C 1.589 178.893 177.584 -0.466 0.000 1.152 168 A CA 1.035 52.752 52.037 -0.534 0.000 0.708 168 A CB -0.313 18.140 19.000 -0.912 0.000 0.805 168 A HN 0.665 8.815 8.150 -0.000 0.000 0.460 169 G N -2.491 106.152 108.800 -0.262 0.000 2.159 169 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.256 169 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.256 169 G C 0.052 175.010 174.900 0.097 0.000 0.977 169 G CA 0.824 45.906 45.100 -0.030 0.000 0.652 169 G HN 1.603 9.893 8.290 -0.000 0.000 0.531 170 Y N -3.185 117.145 120.300 0.050 0.000 2.670 170 Y HA 0.744 5.292 4.550 -0.004 0.000 0.334 170 Y C -0.345 175.607 175.900 0.088 0.000 1.185 170 Y CA -2.131 56.007 58.100 0.063 0.000 1.053 170 Y CB 0.606 39.097 38.460 0.051 0.000 1.298 170 Y HN 0.429 8.709 8.280 -0.000 0.000 0.459 171 L N 3.086 124.496 121.223 0.313 0.000 2.455 171 L HA 0.345 4.683 4.340 -0.004 0.000 0.272 171 L C -0.939 176.089 176.870 0.262 0.000 1.174 171 L CA 0.049 55.041 54.840 0.253 0.000 0.869 171 L CB -0.120 42.066 42.059 0.212 0.000 1.130 171 L HN 0.523 8.753 8.230 -0.000 0.000 0.474 172 I N 5.578 126.251 120.570 0.171 0.000 2.389 172 I HA 0.255 4.423 4.170 -0.004 0.000 0.288 172 I C 0.512 176.722 176.117 0.155 0.000 0.999 172 I CA -0.074 61.318 61.300 0.154 0.000 1.129 172 I CB 1.508 39.543 38.000 0.058 0.000 1.288 172 I HN 0.804 9.014 8.210 -0.000 0.000 0.444 173 E N 2.859 123.182 120.200 0.206 0.000 2.676 173 E HA 0.150 4.498 4.350 -0.004 0.000 0.222 173 E C 0.073 176.875 176.600 0.337 0.000 0.968 173 E CA -0.269 56.276 56.400 0.242 0.000 1.090 173 E CB 0.760 30.577 29.700 0.195 0.000 1.066 173 E HN 0.621 8.981 8.360 -0.000 0.000 0.496 174 T N -0.941 113.817 114.554 0.341 0.000 2.887 174 T HA 0.608 4.956 4.350 -0.004 0.000 0.292 174 T C -0.087 174.821 174.700 0.347 0.000 1.087 174 T CA -0.582 61.676 62.100 0.264 0.000 1.009 174 T CB 1.846 70.794 68.868 0.133 0.000 1.203 174 T HN 0.090 8.330 8.240 -0.000 0.000 0.518 175 S N -0.762 115.012 115.700 0.123 0.000 2.689 175 S HA 0.686 5.154 4.470 -0.004 0.000 0.306 175 S C -0.577 174.096 174.600 0.122 0.000 1.104 175 S CA -0.981 57.323 58.200 0.173 0.000 0.973 175 S CB 1.310 64.507 63.200 -0.004 0.000 1.121 175 S HN 1.174 9.484 8.310 -0.000 0.000 0.523 176 C N 2.422 121.805 119.300 0.138 0.000 2.281 176 C HA 0.777 5.234 4.460 -0.004 0.000 0.323 176 C C -0.063 174.910 174.990 -0.028 0.000 1.270 176 C CA 0.030 59.098 59.018 0.083 0.000 1.559 176 C CB -0.435 27.376 27.740 0.118 0.000 2.239 176 C HN 0.936 9.166 8.230 -0.000 0.000 0.488 177 T N 4.791 119.279 114.554 -0.110 0.000 2.855 177 T HA 0.620 4.968 4.350 -0.004 0.000 0.281 177 T C -0.753 173.652 174.700 -0.491 0.000 1.007 177 T CA -0.393 61.512 62.100 -0.326 0.000 1.009 177 T CB 1.633 70.270 68.868 -0.384 0.000 0.983 177 T HN 0.539 8.779 8.240 -0.000 0.000 0.455 178 V N 3.882 123.414 119.914 -0.637 0.000 2.447 178 V HA 0.384 4.501 4.120 -0.004 0.000 0.292 178 V C -1.064 174.720 176.094 -0.517 0.000 1.021 178 V CA -0.759 61.209 62.300 -0.553 0.000 0.850 178 V CB 1.453 32.887 31.823 -0.649 0.000 1.005 178 V HN 0.611 8.801 8.190 -0.000 0.000 0.426 179 L N 4.376 125.330 121.223 -0.448 0.000 2.262 179 L HA 0.519 4.856 4.340 -0.004 0.000 0.288 179 L C -0.063 176.665 176.870 -0.237 0.000 1.035 179 L CA 0.054 54.714 54.840 -0.300 0.000 0.820 179 L CB 1.255 43.181 42.059 -0.221 0.000 1.204 179 L HN 0.593 8.823 8.230 -0.000 0.000 0.424 180 D N 3.893 124.195 120.400 -0.164 0.000 2.347 180 D HA 0.201 4.839 4.640 -0.004 0.000 0.235 180 D C 0.418 176.684 176.300 -0.057 0.000 1.149 180 D CA -0.076 53.873 54.000 -0.084 0.000 0.850 180 D CB 0.878 41.717 40.800 0.066 0.000 1.061 180 D HN 0.435 8.805 8.370 -0.000 0.000 0.487 181 L N 3.279 124.440 121.223 -0.104 0.000 2.685 181 L HA 0.178 4.515 4.340 -0.004 0.000 0.233 181 L C 1.190 178.014 176.870 -0.076 0.000 1.173 181 L CA -0.322 54.440 54.840 -0.129 0.000 0.961 181 L CB -0.255 41.633 42.059 -0.284 0.000 1.217 181 L HN 0.252 8.482 8.230 -0.000 0.000 0.478 182 K N 1.319 121.700 120.400 -0.033 0.000 2.453 182 K HA 0.165 4.483 4.320 -0.004 0.000 0.280 182 K C 1.135 177.680 176.600 -0.091 0.000 1.045 182 K CA 1.062 57.285 56.287 -0.107 0.000 1.059 182 K CB 0.253 32.576 32.500 -0.295 0.000 0.901 182 K HN 0.285 8.535 8.250 -0.000 0.000 0.475 183 G N 3.653 112.406 108.800 -0.078 0.000 2.213 183 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.226 183 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.226 183 G C 0.260 175.133 174.900 -0.044 0.000 0.992 183 G CA 0.147 45.211 45.100 -0.060 0.000 0.632 183 G HN 0.763 9.053 8.290 -0.000 0.000 0.511 184 I N 0.557 121.100 120.570 -0.044 0.000 3.021 184 I HA 0.764 4.932 4.170 -0.004 0.000 0.303 184 I C 0.558 176.677 176.117 0.004 0.000 1.044 184 I CA -0.128 61.155 61.300 -0.029 0.000 1.266 184 I CB 1.530 39.508 38.000 -0.037 0.000 1.447 184 I HN 0.394 8.604 8.210 -0.000 0.000 0.593 185 S N 4.093 119.809 115.700 0.026 0.000 2.549 185 S HA 0.387 4.854 4.470 -0.004 0.000 0.297 185 S C 0.686 175.348 174.600 0.102 0.000 1.115 185 S CA -0.928 57.309 58.200 0.061 0.000 1.059 185 S CB 1.871 65.104 63.200 0.055 0.000 1.046 185 S HN 0.866 9.176 8.310 -0.000 0.000 0.506 186 L N 1.784 123.092 121.223 0.141 0.000 2.127 186 L HA -0.110 4.228 4.340 -0.004 0.000 0.211 186 L C 2.767 179.784 176.870 0.244 0.000 1.089 186 L CA 1.782 56.736 54.840 0.190 0.000 0.757 186 L CB -0.598 41.599 42.059 0.231 0.000 0.899 186 L HN 1.004 9.234 8.230 -0.000 0.000 0.434 187 S N 0.150 115.983 115.700 0.221 0.000 2.353 187 S HA -0.216 4.252 4.470 -0.004 0.000 0.222 187 S C 1.718 176.462 174.600 0.240 0.000 1.035 187 S CA 1.789 60.132 58.200 0.239 0.000 1.025 187 S CB -0.193 63.096 63.200 0.148 0.000 0.902 187 S HN 0.519 8.829 8.310 -0.000 0.000 0.440 188 N N 1.566 120.358 118.700 0.154 0.000 2.223 188 N HA 0.015 4.753 4.740 -0.004 0.000 0.185 188 N C 1.897 177.515 175.510 0.179 0.000 1.016 188 N CA 1.195 54.325 53.050 0.134 0.000 0.863 188 N CB -0.843 37.668 38.487 0.040 0.000 0.983 188 N HN 0.528 8.908 8.380 -0.000 0.000 0.429 189 A N 0.492 123.402 122.820 0.151 0.000 1.883 189 A HA -0.186 4.132 4.320 -0.004 0.000 0.217 189 A C 1.918 179.563 177.584 0.101 0.000 1.186 189 A CA 1.241 53.353 52.037 0.124 0.000 0.624 189 A CB -1.021 18.046 19.000 0.113 0.000 0.822 189 A HN 0.284 8.434 8.150 -0.000 0.000 0.444 190 Y N -1.042 119.354 120.300 0.160 0.000 2.274 190 Y HA -0.181 4.360 4.550 -0.014 0.000 0.290 190 Y C 2.494 178.476 175.900 0.136 0.000 1.145 190 Y CA 1.584 59.757 58.100 0.120 0.000 1.203 190 Y CB -0.441 38.072 38.460 0.089 0.000 0.984 190 Y HN 0.561 8.841 8.280 -0.000 0.000 0.533 191 H N -0.116 119.095 119.070 0.234 0.000 2.524 191 H HA -0.021 4.542 4.556 0.012 0.000 0.282 191 H C 1.421 176.845 175.328 0.160 0.000 1.016 191 H CA 1.540 57.690 56.048 0.169 0.000 1.270 191 H CB 0.166 30.009 29.762 0.135 0.000 1.394 191 H HN 0.278 8.558 8.280 -0.000 0.000 0.568 192 V N -0.944 119.148 119.914 0.297 0.000 3.271 192 V HA 0.079 4.197 4.120 -0.004 0.000 0.327 192 V C 1.948 178.191 176.094 0.248 0.000 1.389 192 V CA 0.029 62.498 62.300 0.281 0.000 1.156 192 V CB -0.316 31.660 31.823 0.256 0.000 1.103 192 V HN 0.074 8.264 8.190 -0.000 0.000 0.453 193 L N 2.354 123.694 121.223 0.195 0.000 2.079 193 L HA -0.097 4.241 4.340 -0.004 0.000 0.210 193 L C 2.768 179.735 176.870 0.161 0.000 1.081 193 L CA 2.640 57.597 54.840 0.195 0.000 0.752 193 L CB -0.555 41.624 42.059 0.200 0.000 0.896 193 L HN 0.666 8.896 8.230 -0.000 0.000 0.433 194 S N -1.782 113.987 115.700 0.115 0.000 2.382 194 S HA -0.286 4.182 4.470 -0.004 0.000 0.228 194 S C 2.130 176.770 174.600 0.067 0.000 1.027 194 S CA 1.231 59.461 58.200 0.049 0.000 0.991 194 S CB -1.202 62.020 63.200 0.037 0.000 0.823 194 S HN 0.591 8.901 8.310 -0.000 0.000 0.469 195 Y N 2.352 122.682 120.300 0.050 0.000 2.163 195 Y HA 0.096 4.645 4.550 -0.001 0.000 0.288 195 Y C 1.979 177.907 175.900 0.047 0.000 1.136 195 Y CA 1.096 59.238 58.100 0.069 0.000 1.147 195 Y CB -0.489 38.049 38.460 0.131 0.000 0.987 195 Y HN 0.231 8.511 8.280 -0.000 0.000 0.509 196 I N 0.483 121.083 120.570 0.049 0.000 2.264 196 I HA -0.340 3.828 4.170 -0.004 0.000 0.248 196 I C 2.554 178.588 176.117 -0.138 0.000 1.111 196 I CA 1.815 63.103 61.300 -0.020 0.000 1.382 196 I CB -0.448 37.644 38.000 0.155 0.000 1.060 196 I HN 0.198 8.408 8.210 -0.000 0.000 0.418 197 K N 0.851 121.120 120.400 -0.220 0.000 2.097 197 K HA -0.206 4.112 4.320 -0.004 0.000 0.205 197 K C 1.605 177.944 176.600 -0.436 0.000 1.050 197 K CA 1.678 57.607 56.287 -0.597 0.000 0.938 197 K CB 0.025 31.970 32.500 -0.926 0.000 0.718 197 K HN 0.222 8.472 8.250 -0.000 0.000 0.442 198 D N 0.260 120.470 120.400 -0.317 0.000 2.117 198 D HA -0.126 4.511 4.640 -0.004 0.000 0.198 198 D C 1.957 178.097 176.300 -0.267 0.000 0.982 198 D CA 0.884 54.735 54.000 -0.248 0.000 0.828 198 D CB -0.146 40.558 40.800 -0.161 0.000 0.967 198 D HN 0.018 8.388 8.370 -0.000 0.000 0.464 199 V N 1.469 121.165 119.914 -0.363 0.000 2.295 199 V HA -0.239 3.879 4.120 -0.004 0.000 0.246 199 V C 2.536 178.520 176.094 -0.183 0.000 1.049 199 V CA 1.877 64.003 62.300 -0.290 0.000 1.024 199 V CB -0.795 30.830 31.823 -0.329 0.000 0.648 199 V HN 0.184 8.374 8.190 -0.000 0.000 0.447 200 A N -0.367 122.341 122.820 -0.188 0.000 1.902 200 A HA -0.245 4.073 4.320 -0.004 0.000 0.217 200 A C 2.022 179.482 177.584 -0.206 0.000 1.181 200 A CA 1.945 53.888 52.037 -0.157 0.000 0.623 200 A CB -0.596 18.348 19.000 -0.093 0.000 0.818 200 A HN 0.556 8.706 8.150 -0.000 0.000 0.443 201 D N 0.104 120.352 120.400 -0.254 0.000 2.092 201 D HA -0.138 4.499 4.640 -0.004 0.000 0.193 201 D C 1.932 177.997 176.300 -0.391 0.000 0.994 201 D CA 1.399 55.220 54.000 -0.298 0.000 0.828 201 D CB -0.348 40.292 40.800 -0.266 0.000 0.963 201 D HN 0.506 8.876 8.370 -0.000 0.000 0.450 202 I N 0.999 121.390 120.570 -0.299 0.000 2.179 202 I HA -0.248 3.920 4.170 -0.004 0.000 0.242 202 I C 2.440 178.436 176.117 -0.202 0.000 1.088 202 I CA 0.837 61.953 61.300 -0.307 0.000 1.357 202 I CB -0.113 37.801 38.000 -0.143 0.000 1.051 202 I HN -0.093 8.117 8.210 -0.000 0.000 0.409 203 S N 0.103 115.761 115.700 -0.070 0.000 2.355 203 S HA -0.184 4.284 4.470 -0.004 0.000 0.222 203 S C 1.947 176.462 174.600 -0.141 0.000 1.031 203 S CA 1.033 59.239 58.200 0.011 0.000 0.993 203 S CB -0.251 62.940 63.200 -0.016 0.000 0.859 203 S HN 0.414 8.724 8.310 -0.000 0.000 0.453 204 Q N 1.306 120.965 119.800 -0.234 0.000 2.084 204 Q HA 0.009 4.347 4.340 -0.004 0.000 0.202 204 Q C 1.690 177.476 176.000 -0.358 0.000 0.978 204 Q CA 1.040 56.684 55.803 -0.265 0.000 0.844 204 Q CB -0.471 28.124 28.738 -0.239 0.000 0.898 204 Q HN 0.521 8.791 8.270 -0.000 0.000 0.426 205 N N -0.642 117.722 118.700 -0.561 0.000 2.376 205 N HA -0.062 4.676 4.740 -0.004 0.000 0.177 205 N C 0.961 176.006 175.510 -0.776 0.000 1.024 205 N CA 0.845 53.437 53.050 -0.763 0.000 0.893 205 N CB 0.134 37.937 38.487 -1.139 0.000 0.980 205 N HN 0.317 8.697 8.380 -0.000 0.000 0.439 206 Y N -1.805 118.253 120.300 -0.403 0.000 2.453 206 Y HA 0.281 4.829 4.550 -0.004 0.000 0.247 206 Y C -0.148 175.276 175.900 -0.794 0.000 1.124 206 Y CA -0.526 57.233 58.100 -0.568 0.000 1.243 206 Y CB 0.008 37.911 38.460 -0.929 0.000 1.213 206 Y HN -0.076 8.204 8.280 -0.000 0.000 0.523 207 Y N 2.037 122.209 120.300 -0.213 0.000 2.517 207 Y HA 0.375 4.923 4.550 -0.002 0.000 0.330 207 Y C -2.461 173.237 175.900 -0.336 0.000 0.917 207 Y CA -3.244 54.704 58.100 -0.253 0.000 1.131 207 Y CB 0.247 38.513 38.460 -0.323 0.000 1.175 207 Y HN -0.103 8.177 8.280 -0.000 0.000 0.620 208 P HA -0.044 4.376 4.420 -0.000 0.000 0.268 208 P C 0.098 177.239 177.300 -0.265 0.000 1.205 208 P CA 0.568 63.446 63.100 -0.371 0.000 0.771 208 P CB 0.987 32.334 31.700 -0.587 0.000 0.858 209 E N 0.936 121.021 120.200 -0.191 0.000 2.476 209 E HA -0.210 4.138 4.350 -0.004 0.000 0.251 209 E C 0.673 177.226 176.600 -0.079 0.000 1.130 209 E CA 0.495 56.826 56.400 -0.116 0.000 0.736 209 E CB -1.018 28.627 29.700 -0.091 0.000 1.298 209 E HN 0.511 8.871 8.360 -0.000 0.000 0.400 210 R N -0.582 119.844 120.500 -0.123 0.000 2.290 210 R HA 0.244 4.582 4.340 -0.004 0.000 0.197 210 R C 1.246 177.451 176.300 -0.158 0.000 0.913 210 R CA -0.006 56.008 56.100 -0.143 0.000 1.040 210 R CB 0.199 30.336 30.300 -0.271 0.000 0.992 210 R HN 0.290 8.560 8.270 -0.000 0.000 0.500 211 M N 0.304 119.831 119.600 -0.122 0.000 2.120 211 M HA 0.224 4.702 4.480 -0.004 0.000 0.354 211 M C 0.764 177.060 176.300 -0.005 0.000 1.287 211 M CA -0.076 55.183 55.300 -0.069 0.000 1.103 211 M CB 1.502 34.052 32.600 -0.084 0.000 1.623 211 M HN 0.103 8.393 8.290 -0.000 0.000 0.471 212 G N 4.949 113.770 108.800 0.036 0.000 2.688 212 G HA2 0.174 4.132 3.960 -0.004 0.000 0.214 212 G HA3 0.174 4.132 3.960 -0.004 0.000 0.214 212 G C -0.120 174.819 174.900 0.065 0.000 1.211 212 G CA 0.111 45.251 45.100 0.066 0.000 0.853 212 G HN 0.498 8.788 8.290 -0.000 0.000 0.591 213 K N -0.733 119.704 120.400 0.061 0.000 2.426 213 K HA 0.576 4.894 4.320 -0.004 0.000 0.251 213 K C -2.191 174.400 176.600 -0.016 0.000 0.941 213 K CA -0.764 55.512 56.287 -0.018 0.000 0.808 213 K CB 2.606 35.096 32.500 -0.017 0.000 1.265 213 K HN 0.175 8.425 8.250 -0.000 0.000 0.432 214 F N 2.211 121.958 119.950 -0.337 0.000 2.831 214 F HA 0.335 4.859 4.527 -0.006 0.000 0.346 214 F C -1.507 174.095 175.800 -0.330 0.000 1.224 214 F CA -0.580 57.276 58.000 -0.240 0.000 1.048 214 F CB 0.913 39.834 39.000 -0.131 0.000 1.339 214 F HN 0.416 8.716 8.300 -0.000 0.000 0.514 215 Y N 5.794 125.989 120.300 -0.176 0.000 2.387 215 Y HA 0.666 5.213 4.550 -0.005 0.000 0.336 215 Y C -0.118 175.634 175.900 -0.246 0.000 1.067 215 Y CA -0.993 57.043 58.100 -0.106 0.000 1.114 215 Y CB 1.635 40.016 38.460 -0.131 0.000 1.208 215 Y HN 0.272 8.552 8.280 -0.000 0.000 0.458 216 I N 5.509 126.083 120.570 0.008 0.000 2.410 216 I HA 0.417 4.585 4.170 -0.004 0.000 0.286 216 I C -0.555 175.451 176.117 -0.186 0.000 1.009 216 I CA -0.655 60.568 61.300 -0.129 0.000 1.111 216 I CB 0.963 38.904 38.000 -0.098 0.000 1.262 216 I HN 0.526 8.736 8.210 -0.000 0.000 0.443 217 I N 2.390 122.784 120.570 -0.294 0.000 2.797 217 I HA 0.538 4.705 4.170 -0.004 0.000 0.307 217 I C 0.235 176.113 176.117 -0.398 0.000 1.033 217 I CA -0.586 60.440 61.300 -0.457 0.000 1.071 217 I CB 1.542 39.086 38.000 -0.759 0.000 1.255 217 I HN 0.563 8.773 8.210 -0.000 0.000 0.445 218 H N 0.806 119.657 119.070 -0.366 0.000 2.820 218 H HA -0.139 4.417 4.556 -0.002 0.000 0.295 218 H C 0.165 175.359 175.328 -0.222 0.000 1.187 218 H CA 0.730 56.625 56.048 -0.254 0.000 1.144 218 H CB -1.790 27.837 29.762 -0.224 0.000 1.354 218 H HN 0.863 9.143 8.280 -0.000 0.000 0.395 219 S N 0.931 116.518 115.700 -0.188 0.000 2.592 219 S HA 0.474 4.942 4.470 -0.004 0.000 0.271 219 S C -1.651 172.909 174.600 -0.066 0.000 1.326 219 S CA -1.129 56.885 58.200 -0.310 0.000 1.024 219 S CB 2.340 65.177 63.200 -0.606 0.000 0.921 219 S HN 0.192 8.502 8.310 -0.000 0.000 0.527 220 P HA 0.222 4.642 4.420 -0.000 0.000 0.274 220 P C -0.456 176.975 177.300 0.218 0.000 1.237 220 P CA -0.632 62.542 63.100 0.124 0.000 0.793 220 P CB 0.273 32.045 31.700 0.119 0.000 0.977 221 F N 1.317 121.320 119.950 0.089 0.000 2.608 221 F HA 0.275 4.795 4.527 -0.012 0.000 0.380 221 F C 1.612 177.486 175.800 0.124 0.000 1.083 221 F CA 2.125 60.184 58.000 0.097 0.000 1.266 221 F CB -0.343 38.701 39.000 0.073 0.000 1.076 221 F HN 0.740 9.040 8.300 -0.000 0.000 0.574 222 G N 4.855 113.459 108.800 -0.326 0.000 2.175 222 G HA2 -0.389 3.569 3.960 -0.004 0.000 0.244 222 G HA3 -0.389 3.569 3.960 -0.004 0.000 0.244 222 G C 0.821 175.710 174.900 -0.017 0.000 0.982 222 G CA 0.287 45.289 45.100 -0.164 0.000 0.641 222 G HN 0.768 9.058 8.290 -0.000 0.000 0.527 223 F N 2.748 122.640 119.950 -0.097 0.000 2.134 223 F HA -0.052 4.469 4.527 -0.009 0.000 0.299 223 F C 2.742 178.510 175.800 -0.053 0.000 1.097 223 F CA 2.488 60.441 58.000 -0.078 0.000 1.264 223 F CB -0.154 38.809 39.000 -0.061 0.000 1.001 223 F HN 0.401 8.701 8.300 -0.000 0.000 0.479 224 S N -1.064 114.580 115.700 -0.093 0.000 2.400 224 S HA -0.233 4.235 4.470 -0.004 0.000 0.232 224 S C 1.874 176.389 174.600 -0.142 0.000 1.025 224 S CA 1.795 59.923 58.200 -0.120 0.000 0.993 224 S CB -1.300 61.875 63.200 -0.043 0.000 0.808 224 S HN 0.461 8.771 8.310 -0.000 0.000 0.478 225 T N 2.507 116.978 114.554 -0.138 0.000 2.777 225 T HA 0.063 4.411 4.350 -0.004 0.000 0.266 225 T C 1.811 176.441 174.700 -0.117 0.000 1.040 225 T CA 1.402 63.450 62.100 -0.087 0.000 1.141 225 T CB -0.387 68.467 68.868 -0.024 0.000 0.868 225 T HN 0.353 8.593 8.240 -0.000 0.000 0.444 226 M N 0.649 120.098 119.600 -0.251 0.000 2.159 226 M HA -0.062 4.416 4.480 -0.004 0.000 0.263 226 M C 1.921 177.952 176.300 -0.447 0.000 1.063 226 M CA 1.601 56.603 55.300 -0.497 0.000 1.110 226 M CB -0.799 31.238 32.600 -0.939 0.000 1.374 226 M HN 0.272 8.562 8.290 -0.000 0.000 0.411 227 F N 1.615 121.140 119.950 -0.707 0.000 2.269 227 F HA -0.140 4.383 4.527 -0.007 0.000 0.301 227 F C 1.927 177.518 175.800 -0.349 0.000 1.082 227 F CA 1.435 59.088 58.000 -0.578 0.000 1.360 227 F CB -0.334 38.309 39.000 -0.596 0.000 1.041 227 F HN 0.180 8.480 8.300 -0.000 0.000 0.512 228 K N -0.735 119.468 120.400 -0.328 0.000 2.280 228 K HA -0.152 4.165 4.320 -0.004 0.000 0.202 228 K C 1.841 178.202 176.600 -0.399 0.000 1.047 228 K CA 1.081 57.164 56.287 -0.341 0.000 0.942 228 K CB -0.159 32.228 32.500 -0.187 0.000 0.739 228 K HN 0.278 8.528 8.250 -0.000 0.000 0.457 229 M N 0.084 119.471 119.600 -0.355 0.000 2.419 229 M HA -0.061 4.417 4.480 -0.004 0.000 0.264 229 M C 1.962 177.894 176.300 -0.613 0.000 1.082 229 M CA 1.023 56.113 55.300 -0.351 0.000 1.119 229 M CB -0.176 32.345 32.600 -0.132 0.000 1.398 229 M HN -0.081 8.209 8.290 -0.000 0.000 0.453 230 V N -0.096 119.431 119.914 -0.645 0.000 2.725 230 V HA -0.124 3.993 4.120 -0.004 0.000 0.247 230 V C 2.172 177.798 176.094 -0.780 0.000 1.058 230 V CA 0.932 62.832 62.300 -0.666 0.000 1.080 230 V CB -0.504 31.024 31.823 -0.490 0.000 0.713 230 V HN 0.412 8.602 8.190 -0.000 0.000 0.465 231 K N 0.526 120.422 120.400 -0.841 0.000 2.127 231 K HA -0.202 4.116 4.320 -0.004 0.000 0.208 231 K C -0.338 175.986 176.600 -0.460 0.000 1.047 231 K CA 1.939 57.852 56.287 -0.624 0.000 0.927 231 K CB -1.322 30.861 32.500 -0.528 0.000 0.716 231 K HN 0.435 8.685 8.250 -0.000 0.000 0.450 232 P HA -0.127 4.293 4.420 -0.000 0.000 0.228 232 P C 0.460 177.632 177.300 -0.213 0.000 1.151 232 P CA 1.121 63.980 63.100 -0.402 0.000 0.770 232 P CB 0.002 31.414 31.700 -0.480 0.000 0.786 233 F N -1.997 117.837 119.950 -0.194 0.000 2.749 233 F HA 0.190 4.713 4.527 -0.007 0.000 0.300 233 F C 0.968 176.652 175.800 -0.193 0.000 1.103 233 F CA -0.450 57.443 58.000 -0.179 0.000 1.342 233 F CB 0.251 39.147 39.000 -0.174 0.000 1.098 233 F HN -0.237 8.063 8.300 -0.000 0.000 0.586 234 L N -0.133 121.043 121.223 -0.078 0.000 2.342 234 L HA 0.396 4.734 4.340 -0.004 0.000 0.271 234 L C -0.804 175.985 176.870 -0.136 0.000 1.008 234 L CA -1.098 53.667 54.840 -0.125 0.000 0.818 234 L CB 1.687 43.643 42.059 -0.171 0.000 1.296 234 L HN -0.204 8.026 8.230 -0.000 0.000 0.427 235 D N 1.967 122.291 120.400 -0.128 0.000 2.339 235 D HA 0.178 4.816 4.640 -0.004 0.000 0.245 235 D C -1.763 174.468 176.300 -0.115 0.000 1.115 235 D CA -1.306 52.624 54.000 -0.116 0.000 0.917 235 D CB 1.526 42.258 40.800 -0.113 0.000 1.192 235 D HN 0.202 8.572 8.370 -0.000 0.000 0.428 236 P HA -0.143 4.277 4.420 -0.000 0.000 0.218 236 P C 1.221 178.469 177.300 -0.087 0.000 1.148 236 P CA 0.559 63.602 63.100 -0.094 0.000 0.822 236 P CB 0.229 31.882 31.700 -0.079 0.000 0.784 237 V N -0.640 119.225 119.914 -0.081 0.000 2.343 237 V HA -0.236 3.882 4.120 -0.004 0.000 0.247 237 V C 2.239 178.282 176.094 -0.086 0.000 1.051 237 V CA 2.497 64.755 62.300 -0.071 0.000 1.036 237 V CB -1.651 30.134 31.823 -0.065 0.000 0.654 237 V HN 0.208 8.398 8.190 -0.000 0.000 0.451 238 T N -0.078 114.412 114.554 -0.107 0.000 2.737 238 T HA -0.152 4.196 4.350 -0.004 0.000 0.265 238 T C 1.970 176.591 174.700 -0.132 0.000 1.038 238 T CA 1.589 63.612 62.100 -0.128 0.000 1.144 238 T CB -0.275 68.502 68.868 -0.152 0.000 0.866 238 T HN 0.280 8.520 8.240 -0.000 0.000 0.434 239 V N 2.605 122.448 119.914 -0.118 0.000 2.392 239 V HA -0.189 3.929 4.120 -0.004 0.000 0.249 239 V C 2.762 178.756 176.094 -0.167 0.000 1.059 239 V CA 2.019 64.263 62.300 -0.093 0.000 1.051 239 V CB -1.053 30.717 31.823 -0.089 0.000 0.658 239 V HN 0.686 8.876 8.190 -0.000 0.000 0.455 240 S N -0.462 115.144 115.700 -0.158 0.000 2.547 240 S HA -0.108 4.359 4.470 -0.004 0.000 0.235 240 S C 1.570 176.025 174.600 -0.242 0.000 0.980 240 S CA 0.946 59.032 58.200 -0.190 0.000 0.941 240 S CB -0.324 62.826 63.200 -0.083 0.000 0.763 240 S HN 0.694 9.004 8.310 -0.000 0.000 0.532 241 K N 0.214 120.498 120.400 -0.192 0.000 2.358 241 K HA 0.398 4.716 4.320 -0.004 0.000 0.200 241 K C -0.316 176.205 176.600 -0.132 0.000 1.030 241 K CA -0.025 56.222 56.287 -0.067 0.000 1.097 241 K CB 0.407 32.903 32.500 -0.006 0.000 0.862 241 K HN 0.428 8.678 8.250 -0.000 0.000 0.534 242 I N 1.469 121.833 120.570 -0.343 0.000 2.336 242 I HA 0.253 4.421 4.170 -0.004 0.000 0.292 242 I C -0.782 175.010 176.117 -0.542 0.000 0.991 242 I CA -0.704 60.456 61.300 -0.233 0.000 1.227 242 I CB 0.730 38.631 38.000 -0.165 0.000 1.366 242 I HN -0.178 8.032 8.210 -0.000 0.000 0.466 243 F N 6.480 126.368 119.950 -0.103 0.000 2.477 243 F HA 0.497 5.022 4.527 -0.005 0.000 0.335 243 F C 0.071 175.862 175.800 -0.014 0.000 1.130 243 F CA -0.556 57.413 58.000 -0.051 0.000 0.948 243 F CB 1.438 40.435 39.000 -0.006 0.000 1.154 243 F HN 0.198 8.498 8.300 -0.000 0.000 0.439 244 I N 5.377 125.998 120.570 0.085 0.000 2.297 244 I HA 0.265 4.433 4.170 -0.004 0.000 0.291 244 I C -0.485 175.693 176.117 0.102 0.000 1.033 244 I CA -0.261 61.069 61.300 0.050 0.000 1.253 244 I CB 0.464 38.474 38.000 0.018 0.000 1.396 244 I HN 0.392 8.602 8.210 -0.000 0.000 0.476 245 L N 5.668 126.942 121.223 0.085 0.000 2.357 245 L HA 0.640 4.978 4.340 -0.004 0.000 0.273 245 L C 0.957 177.849 176.870 0.036 0.000 1.080 245 L CA -0.400 54.494 54.840 0.089 0.000 0.803 245 L CB 1.184 43.312 42.059 0.116 0.000 1.174 245 L HN 0.623 8.853 8.230 -0.000 0.000 0.443 246 G N -0.008 108.840 108.800 0.080 0.000 2.782 246 G HA2 0.197 4.155 3.960 -0.004 0.000 0.201 246 G HA3 0.197 4.155 3.960 -0.004 0.000 0.201 246 G C 0.760 175.741 174.900 0.135 0.000 1.374 246 G CA -0.140 45.010 45.100 0.083 0.000 1.039 246 G HN 0.568 8.858 8.290 -0.000 0.000 0.576 247 S N 0.072 115.854 115.700 0.136 0.000 2.392 247 S HA -0.186 4.282 4.470 -0.004 0.000 0.232 247 S C 2.336 177.028 174.600 0.154 0.000 1.041 247 S CA 1.964 60.263 58.200 0.164 0.000 1.026 247 S CB -0.352 62.915 63.200 0.112 0.000 0.845 247 S HN 0.773 9.083 8.310 -0.000 0.000 0.465 248 S N 1.062 116.817 115.700 0.093 0.000 2.660 248 S HA 0.067 4.535 4.470 -0.004 0.000 0.227 248 S C 1.376 175.949 174.600 -0.046 0.000 0.948 248 S CA -0.214 57.990 58.200 0.005 0.000 0.948 248 S CB -0.836 62.366 63.200 0.003 0.000 0.779 248 S HN 0.708 9.018 8.310 -0.000 0.000 0.487 249 Y N 1.929 122.188 120.300 -0.067 0.000 2.241 249 Y HA -0.031 4.520 4.550 0.002 0.000 0.286 249 Y C 1.783 177.612 175.900 -0.118 0.000 1.166 249 Y CA 1.133 59.166 58.100 -0.113 0.000 1.203 249 Y CB -0.685 37.672 38.460 -0.171 0.000 0.977 249 Y HN 0.144 8.424 8.280 -0.000 0.000 0.529 250 K N 0.901 120.634 120.400 -1.113 0.000 2.009 250 K HA -0.185 4.133 4.320 -0.004 0.000 0.210 250 K C 2.036 178.435 176.600 -0.336 0.000 1.049 250 K CA 2.239 58.072 56.287 -0.757 0.000 0.929 250 K CB -0.237 31.887 32.500 -0.627 0.000 0.714 250 K HN 0.399 8.649 8.250 -0.000 0.000 0.440 251 K N 0.625 120.877 120.400 -0.248 0.000 2.148 251 K HA -0.170 4.148 4.320 -0.004 0.000 0.204 251 K C 2.111 178.630 176.600 -0.136 0.000 1.050 251 K CA 1.179 57.378 56.287 -0.148 0.000 0.942 251 K CB -0.006 32.431 32.500 -0.105 0.000 0.724 251 K HN 0.048 8.298 8.250 -0.000 0.000 0.446 252 E N 1.355 121.467 120.200 -0.147 0.000 2.072 252 E HA -0.101 4.247 4.350 -0.004 0.000 0.191 252 E C 1.728 178.193 176.600 -0.225 0.000 0.985 252 E CA 1.056 57.372 56.400 -0.140 0.000 0.801 252 E CB -0.129 29.514 29.700 -0.094 0.000 0.750 252 E HN 0.189 8.549 8.360 -0.000 0.000 0.452 253 L N -0.064 120.990 121.223 -0.280 0.000 2.131 253 L HA -0.123 4.215 4.340 -0.004 0.000 0.210 253 L C 2.277 179.029 176.870 -0.197 0.000 1.092 253 L CA 0.723 55.350 54.840 -0.356 0.000 0.759 253 L CB -0.358 41.543 42.059 -0.262 0.000 0.903 253 L HN 0.205 8.435 8.230 -0.000 0.000 0.435 254 L N -0.364 120.779 121.223 -0.133 0.000 2.456 254 L HA -0.169 4.169 4.340 -0.004 0.000 0.224 254 L C 2.297 179.134 176.870 -0.056 0.000 1.148 254 L CA 0.909 55.705 54.840 -0.072 0.000 0.825 254 L CB -0.382 41.639 42.059 -0.063 0.000 0.937 254 L HN 0.261 8.491 8.230 -0.000 0.000 0.450 255 K N -0.443 119.912 120.400 -0.074 0.000 2.228 255 K HA -0.157 4.160 4.320 -0.004 0.000 0.202 255 K C 1.962 178.549 176.600 -0.022 0.000 1.051 255 K CA 0.724 56.983 56.287 -0.045 0.000 0.960 255 K CB 0.125 32.593 32.500 -0.053 0.000 0.743 255 K HN 0.093 8.343 8.250 -0.000 0.000 0.458 256 Q N 0.332 120.113 119.800 -0.031 0.000 2.402 256 Q HA 0.227 4.565 4.340 -0.004 0.000 0.231 256 Q C -0.256 175.766 176.000 0.036 0.000 0.888 256 Q CA 0.427 56.243 55.803 0.022 0.000 0.938 256 Q CB 0.795 29.573 28.738 0.068 0.000 1.086 256 Q HN 0.102 8.372 8.270 -0.000 0.000 0.543 257 I N 1.468 122.045 120.570 0.013 0.000 2.509 257 I HA 0.423 4.591 4.170 -0.004 0.000 0.293 257 I C -2.360 173.786 176.117 0.048 0.000 1.020 257 I CA -2.862 58.469 61.300 0.052 0.000 1.088 257 I CB 2.204 40.245 38.000 0.069 0.000 1.267 257 I HN -0.096 8.114 8.210 -0.000 0.000 0.430 258 P HA 0.131 4.551 4.420 -0.000 0.000 0.268 258 P C 0.895 178.224 177.300 0.048 0.000 1.204 258 P CA 0.040 63.162 63.100 0.037 0.000 0.768 258 P CB 0.900 32.614 31.700 0.024 0.000 0.842 259 I N 3.197 123.786 120.570 0.031 0.000 2.335 259 I HA -0.256 3.912 4.170 -0.004 0.000 0.251 259 I C 1.897 178.046 176.117 0.055 0.000 1.129 259 I CA 1.474 62.798 61.300 0.039 0.000 1.402 259 I CB -0.035 37.975 38.000 0.018 0.000 1.069 259 I HN 0.422 8.632 8.210 -0.000 0.000 0.424 260 E N 0.191 120.409 120.200 0.031 0.000 2.268 260 E HA -0.221 4.127 4.350 -0.004 0.000 0.195 260 E C 1.097 177.711 176.600 0.023 0.000 0.995 260 E CA 1.012 57.422 56.400 0.017 0.000 0.836 260 E CB -0.526 29.156 29.700 -0.029 0.000 0.763 260 E HN 0.537 8.897 8.360 -0.000 0.000 0.491 261 N N 0.418 119.150 118.700 0.054 0.000 2.405 261 N HA 0.079 4.817 4.740 -0.004 0.000 0.175 261 N C 0.168 175.913 175.510 0.391 0.000 1.051 261 N CA -0.025 53.106 53.050 0.135 0.000 0.899 261 N CB 0.134 38.690 38.487 0.116 0.000 1.000 261 N HN 0.139 8.519 8.380 -0.000 0.000 0.451 262 L N 2.333 123.735 121.223 0.298 0.000 2.331 262 L HA 0.376 4.714 4.340 -0.004 0.000 0.278 262 L C -2.363 174.653 176.870 0.243 0.000 1.106 262 L CA -1.867 53.171 54.840 0.330 0.000 0.824 262 L CB 0.624 42.822 42.059 0.231 0.000 1.142 262 L HN -0.109 8.121 8.230 -0.000 0.000 0.443 263 P HA -0.014 4.406 4.420 -0.000 0.000 0.267 263 P C 0.901 178.156 177.300 -0.074 0.000 1.200 263 P CA -0.153 62.878 63.100 -0.115 0.000 0.772 263 P CB 0.617 31.925 31.700 -0.652 0.000 0.855 264 V N 4.249 124.128 119.914 -0.058 0.000 2.278 264 V HA -0.318 3.800 4.120 -0.004 0.000 0.251 264 V C 2.154 178.181 176.094 -0.111 0.000 1.062 264 V CA 2.483 64.754 62.300 -0.048 0.000 1.038 264 V CB -1.287 30.522 31.823 -0.023 0.000 0.646 264 V HN 0.720 8.910 8.190 -0.000 0.000 0.447 265 K N -0.895 119.347 120.400 -0.263 0.000 2.442 265 K HA -0.181 4.137 4.320 -0.004 0.000 0.198 265 K C 1.414 177.866 176.600 -0.246 0.000 1.044 265 K CA 1.772 57.867 56.287 -0.320 0.000 0.948 265 K CB -0.316 31.876 32.500 -0.513 0.000 0.762 265 K HN 0.513 8.763 8.250 -0.000 0.000 0.472 266 Y N 0.015 120.335 120.300 0.033 0.000 2.507 266 Y HA 0.304 4.849 4.550 -0.008 0.000 0.254 266 Y C 1.386 177.294 175.900 0.014 0.000 1.171 266 Y CA -0.370 57.815 58.100 0.143 0.000 1.238 266 Y CB 1.179 39.728 38.460 0.148 0.000 1.148 266 Y HN 0.361 8.641 8.280 -0.000 0.000 0.525 267 G N -1.052 107.789 108.800 0.070 0.000 2.211 267 G HA2 -0.162 3.796 3.960 -0.004 0.000 0.201 267 G HA3 -0.162 3.796 3.960 -0.004 0.000 0.201 267 G C 0.740 175.642 174.900 0.004 0.000 0.997 267 G CA -0.206 44.879 45.100 -0.024 0.000 0.652 267 G HN 0.700 8.990 8.290 -0.000 0.000 0.500 268 G N -0.786 108.044 108.800 0.049 0.000 2.641 268 G HA2 0.636 4.594 3.960 -0.004 0.000 0.239 268 G HA3 0.636 4.594 3.960 -0.004 0.000 0.239 268 G C 0.906 175.836 174.900 0.050 0.000 1.402 268 G CA 1.093 46.229 45.100 0.060 0.000 1.046 268 G HN 1.271 9.561 8.290 -0.000 0.000 0.565 269 T N -3.288 111.309 114.554 0.071 0.000 3.275 269 T HA 0.341 4.689 4.350 -0.004 0.000 0.298 269 T C 0.589 175.354 174.700 0.109 0.000 0.988 269 T CA 0.346 62.486 62.100 0.066 0.000 0.936 269 T CB 0.139 69.034 68.868 0.046 0.000 1.159 269 T HN 0.486 8.726 8.240 -0.000 0.000 0.519 270 S N 1.868 117.672 115.700 0.172 0.000 2.528 270 S HA 0.595 5.063 4.470 -0.004 0.000 0.277 270 S C 0.171 174.957 174.600 0.310 0.000 1.297 270 S CA -0.215 58.159 58.200 0.289 0.000 1.052 270 S CB 0.311 63.815 63.200 0.507 0.000 0.917 270 S HN 0.915 9.225 8.310 -0.000 0.000 0.492 271 V N 3.744 123.820 119.914 0.270 0.000 3.078 271 V HA 0.665 4.783 4.120 -0.004 0.000 0.311 271 V C -0.744 175.417 176.094 0.111 0.000 1.138 271 V CA -1.200 61.204 62.300 0.175 0.000 1.007 271 V CB 1.453 33.327 31.823 0.084 0.000 1.045 271 V HN 0.785 8.975 8.190 -0.000 0.000 0.432 272 L N 1.534 122.708 121.223 -0.081 0.000 2.375 272 L HA 0.445 4.782 4.340 -0.004 0.000 0.271 272 L C 1.658 178.526 176.870 -0.004 0.000 1.107 272 L CA -0.565 54.212 54.840 -0.104 0.000 0.806 272 L CB 0.658 42.508 42.059 -0.348 0.000 1.146 272 L HN 1.005 9.235 8.230 -0.000 0.000 0.447 273 H N 1.743 120.786 119.070 -0.046 0.000 2.353 273 H HA -0.154 4.400 4.556 -0.004 0.000 0.298 273 H C 0.756 176.055 175.328 -0.048 0.000 1.103 273 H CA 1.561 57.591 56.048 -0.030 0.000 1.293 273 H CB 0.168 29.919 29.762 -0.019 0.000 1.372 273 H HN 0.534 8.814 8.280 -0.000 0.000 0.501 274 N N 0.017 118.625 118.700 -0.153 0.000 2.485 274 N HA 0.107 4.845 4.740 -0.004 0.000 0.243 274 N C -2.133 173.279 175.510 -0.163 0.000 0.987 274 N CA -2.236 50.693 53.050 -0.202 0.000 0.940 274 N CB 1.309 39.712 38.487 -0.140 0.000 1.122 274 N HN 0.057 8.437 8.380 -0.000 0.000 0.509 275 P HA -0.084 4.336 4.420 -0.000 0.000 0.220 275 P C 0.474 177.698 177.300 -0.128 0.000 1.144 275 P CA 1.020 64.044 63.100 -0.127 0.000 0.800 275 P CB 0.376 32.018 31.700 -0.097 0.000 0.772 276 N N -1.198 117.432 118.700 -0.118 0.000 2.446 276 N HA -0.024 4.714 4.740 -0.004 0.000 0.179 276 N C 0.351 175.789 175.510 -0.121 0.000 1.054 276 N CA 0.717 53.708 53.050 -0.099 0.000 0.905 276 N CB -0.415 38.030 38.487 -0.069 0.000 0.973 276 N HN 0.210 8.590 8.380 -0.000 0.000 0.448 277 D N 1.455 121.759 120.400 -0.160 0.000 2.361 277 D HA 0.099 4.737 4.640 -0.004 0.000 0.239 277 D C 0.501 176.600 176.300 -0.336 0.000 1.200 277 D CA 0.524 54.407 54.000 -0.195 0.000 0.915 277 D CB 0.945 41.630 40.800 -0.192 0.000 1.170 277 D HN -0.174 8.196 8.370 -0.000 0.000 0.444 278 K N 1.277 121.428 120.400 -0.415 0.000 2.182 278 K HA 0.208 4.526 4.320 -0.004 0.000 0.262 278 K C 0.834 176.941 176.600 -0.822 0.000 0.957 278 K CA -0.648 55.185 56.287 -0.757 0.000 0.842 278 K CB 1.029 32.712 32.500 -1.361 0.000 1.099 278 K HN 0.312 8.562 8.250 -0.000 0.000 0.438 279 F N 0.950 120.426 119.950 -0.790 0.000 2.216 279 F HA -0.234 4.291 4.527 -0.003 0.000 0.300 279 F C 1.851 177.040 175.800 -1.018 0.000 1.085 279 F CA 1.316 58.762 58.000 -0.924 0.000 1.326 279 F CB -0.302 38.020 39.000 -1.130 0.000 1.027 279 F HN 0.614 8.914 8.300 -0.000 0.000 0.497 280 Y N -3.967 116.002 120.300 -0.552 0.000 2.632 280 Y HA -0.012 4.538 4.550 -0.000 0.000 0.301 280 Y C 0.537 175.934 175.900 -0.838 0.000 1.172 280 Y CA -0.104 57.679 58.100 -0.529 0.000 1.328 280 Y CB -1.588 36.604 38.460 -0.446 0.000 1.016 280 Y HN 0.109 8.389 8.280 -0.000 0.000 0.529 281 Y N 0.160 120.077 120.300 -0.638 0.000 2.527 281 Y HA 0.307 4.857 4.550 -0.000 0.000 0.247 281 Y C 0.701 176.399 175.900 -0.337 0.000 1.138 281 Y CA -1.145 56.445 58.100 -0.850 0.000 1.228 281 Y CB -0.066 38.164 38.460 -0.382 0.000 1.252 281 Y HN 0.136 8.416 8.280 -0.000 0.000 0.531 282 S N -0.746 114.932 115.700 -0.036 0.000 2.654 282 S HA 0.529 4.997 4.470 -0.004 0.000 0.283 282 S C -0.478 174.421 174.600 0.499 0.000 1.180 282 S CA -0.452 57.863 58.200 0.192 0.000 1.021 282 S CB 2.346 65.558 63.200 0.019 0.000 1.018 282 S HN 0.182 8.492 8.310 -0.000 0.000 0.532 283 D N 0.599 121.297 120.400 0.496 0.000 3.118 283 D HA 0.307 4.945 4.640 -0.004 0.000 0.286 283 D C -1.110 175.541 176.300 0.584 0.000 1.255 283 D CA -0.215 54.171 54.000 0.643 0.000 0.748 283 D CB -0.067 41.083 40.800 0.585 0.000 1.332 283 D HN 0.616 8.986 8.370 -0.000 0.000 0.575 284 I N 1.221 122.043 120.570 0.421 0.000 2.365 284 I HA 0.770 4.938 4.170 -0.004 0.000 0.291 284 I C 1.104 177.067 176.117 -0.257 0.000 1.004 284 I CA -0.097 61.231 61.300 0.048 0.000 1.311 284 I CB 1.629 39.568 38.000 -0.102 0.000 1.401 284 I HN 0.325 8.535 8.210 -0.000 0.000 0.491 285 G N 5.627 113.977 108.800 -0.750 0.000 2.322 285 G HA2 0.197 4.154 3.960 -0.004 0.000 0.295 285 G HA3 0.197 4.154 3.960 -0.004 0.000 0.295 285 G C -2.811 171.332 174.900 -1.260 0.000 1.369 285 G CA -0.565 43.714 45.100 -1.368 0.000 0.821 285 G HN 0.255 8.545 8.290 -0.000 0.000 0.536 286 P HA -0.059 4.361 4.420 -0.000 0.000 0.218 286 P C 1.345 178.522 177.300 -0.204 0.000 1.146 286 P CA 1.882 64.771 63.100 -0.351 0.000 0.813 286 P CB -0.052 31.514 31.700 -0.223 0.000 0.778 287 W N -1.543 119.784 121.300 0.045 0.000 2.961 287 W HA 0.105 4.763 4.660 -0.004 0.000 0.240 287 W C 1.098 177.639 176.519 0.036 0.000 1.305 287 W CA 0.107 57.470 57.345 0.031 0.000 1.465 287 W CB -0.972 28.482 29.460 -0.010 0.000 1.135 287 W HN -0.204 7.976 8.180 -0.000 0.000 0.688 288 R N 0.729 121.111 120.500 -0.196 0.000 2.472 288 R HA 0.098 4.436 4.340 -0.004 0.000 0.279 288 R C -0.614 175.654 176.300 -0.054 0.000 0.953 288 R CA 0.094 56.151 56.100 -0.071 0.000 1.088 288 R CB -0.192 30.037 30.300 -0.117 0.000 1.197 288 R HN 0.118 8.388 8.270 -0.000 0.000 0.536 289 D N 1.051 121.431 120.400 -0.034 0.000 2.280 289 D HA 0.223 4.860 4.640 -0.004 0.000 0.236 289 D C -1.847 174.433 176.300 -0.034 0.000 1.082 289 D CA -2.338 51.650 54.000 -0.020 0.000 0.834 289 D CB 2.317 43.153 40.800 0.060 0.000 1.100 289 D HN -0.193 8.177 8.370 -0.000 0.000 0.486 290 P HA -0.109 4.311 4.420 -0.000 0.000 0.217 290 P C 1.087 178.310 177.300 -0.128 0.000 1.148 290 P CA 1.117 64.176 63.100 -0.068 0.000 0.828 290 P CB 0.310 31.971 31.700 -0.066 0.000 0.783 291 R N -2.005 118.332 120.500 -0.273 0.000 2.120 291 R HA -0.105 4.233 4.340 -0.004 0.000 0.234 291 R C 1.264 177.251 176.300 -0.521 0.000 1.123 291 R CA 1.222 57.035 56.100 -0.478 0.000 0.975 291 R CB -0.489 29.330 30.300 -0.801 0.000 0.866 291 R HN 0.338 8.608 8.270 -0.000 0.000 0.446 292 Y N -0.350 119.947 120.300 -0.006 0.000 2.467 292 Y HA 0.316 4.864 4.550 -0.004 0.000 0.250 292 Y C 0.475 176.385 175.900 0.017 0.000 1.155 292 Y CA -0.717 57.383 58.100 -0.000 0.000 1.249 292 Y CB 0.399 38.848 38.460 -0.019 0.000 1.146 292 Y HN -0.133 8.147 8.280 -0.000 0.000 0.524 293 I N 0.664 121.302 120.570 0.114 0.000 2.371 293 I HA 0.366 4.533 4.170 -0.004 0.000 0.290 293 I C 1.048 177.220 176.117 0.090 0.000 1.028 293 I CA -0.145 61.222 61.300 0.112 0.000 1.345 293 I CB 0.816 38.871 38.000 0.092 0.000 1.407 293 I HN 0.186 8.396 8.210 -0.000 0.000 0.501 294 G N 6.459 115.319 108.800 0.100 0.000 2.782 294 G HA2 0.342 4.300 3.960 -0.004 0.000 0.201 294 G HA3 0.342 4.300 3.960 -0.004 0.000 0.201 294 G C -1.657 173.297 174.900 0.090 0.000 1.374 294 G CA -0.485 44.670 45.100 0.091 0.000 1.039 294 G HN 0.447 8.737 8.290 -0.000 0.000 0.576 295 P HA -0.086 4.334 4.420 -0.000 0.000 0.225 295 P C 1.261 178.613 177.300 0.087 0.000 1.148 295 P CA 1.180 64.327 63.100 0.078 0.000 0.779 295 P CB 0.124 31.866 31.700 0.070 0.000 0.780 296 E N 0.759 121.015 120.200 0.095 0.000 2.268 296 E HA 0.008 4.356 4.350 -0.004 0.000 0.195 296 E C 1.124 177.861 176.600 0.228 0.000 0.995 296 E CA 1.123 57.581 56.400 0.097 0.000 0.836 296 E CB -0.979 28.721 29.700 -0.001 0.000 0.763 296 E HN 0.238 8.598 8.360 -0.000 0.000 0.491 297 G N 1.226 110.151 108.800 0.209 0.000 2.712 297 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.683 297 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.683 297 G C -1.132 173.894 174.900 0.210 0.000 1.320 297 G CA -0.130 45.086 45.100 0.194 0.000 0.847 297 G HN 0.351 8.641 8.290 -0.000 0.000 0.553 298 E N -0.755 119.485 120.200 0.067 0.000 2.331 298 E HA 0.475 4.822 4.350 -0.004 0.000 0.272 298 E C 1.019 177.413 176.600 -0.343 0.000 1.036 298 E CA -0.731 55.650 56.400 -0.032 0.000 0.864 298 E CB 0.937 30.635 29.700 -0.003 0.000 1.035 298 E HN 0.687 9.047 8.360 -0.000 0.000 0.408 299 I N 5.549 125.784 120.570 -0.558 0.000 2.815 299 I HA 0.052 4.219 4.170 -0.004 0.000 0.291 299 I C -1.884 173.984 176.117 -0.415 0.000 1.209 299 I CA -1.460 59.249 61.300 -0.985 0.000 1.431 299 I CB 0.659 38.351 38.000 -0.512 0.000 1.351 299 I HN 0.543 8.753 8.210 -0.000 0.000 0.585 300 P HA 0.072 4.492 4.420 -0.000 0.000 0.272 300 P C -1.422 175.886 177.300 0.014 0.000 1.230 300 P CA -0.307 62.762 63.100 -0.052 0.000 0.788 300 P CB 0.348 32.115 31.700 0.113 0.000 0.949 301 N N 1.603 120.342 118.700 0.064 0.000 2.482 301 N HA 0.076 4.813 4.740 -0.004 0.000 0.242 301 N C 0.998 176.568 175.510 0.100 0.000 1.100 301 N CA -0.305 52.803 53.050 0.096 0.000 0.946 301 N CB -0.248 38.306 38.487 0.112 0.000 1.227 301 N HN 0.353 8.733 8.380 -0.000 0.000 0.508 302 I N 1.052 121.603 120.570 -0.032 0.000 2.530 302 I HA -0.108 4.060 4.170 -0.004 0.000 0.257 302 I C 0.429 176.355 176.117 -0.318 0.000 1.179 302 I CA 1.378 62.535 61.300 -0.237 0.000 1.440 302 I CB -0.106 37.573 38.000 -0.535 0.000 1.087 302 I HN 0.392 8.602 8.210 -0.000 0.000 0.440 303 F N 0.109 120.187 119.950 0.214 0.000 2.684 303 F HA 0.458 4.982 4.527 -0.004 0.000 0.298 303 F C 1.619 177.547 175.800 0.213 0.000 1.120 303 F CA 0.089 58.224 58.000 0.225 0.000 1.332 303 F CB -0.515 38.655 39.000 0.283 0.000 0.986 303 F HN 0.142 8.442 8.300 -0.000 0.000 0.524 304 G N 2.249 111.215 108.800 0.276 0.000 2.614 304 G HA2 -0.441 3.517 3.960 -0.004 0.000 0.303 304 G HA3 -0.441 3.517 3.960 -0.004 0.000 0.303 304 G C 1.346 176.339 174.900 0.154 0.000 1.270 304 G CA 0.685 45.908 45.100 0.204 0.000 0.988 304 G HN 0.510 8.800 8.290 -0.000 0.000 0.551 305 K N -0.067 120.369 120.400 0.059 0.000 2.362 305 K HA 0.149 4.467 4.320 -0.004 0.000 0.200 305 K C 2.070 178.527 176.600 -0.239 0.000 1.046 305 K CA 2.086 58.296 56.287 -0.128 0.000 0.952 305 K CB -0.163 32.175 32.500 -0.271 0.000 0.753 305 K HN 0.381 8.631 8.250 -0.000 0.000 0.466 306 F N 2.390 122.291 119.950 -0.082 0.000 2.789 306 F HA 0.072 4.598 4.527 -0.001 0.000 0.300 306 F C 0.474 176.207 175.800 -0.111 0.000 1.132 306 F CA 0.015 57.869 58.000 -0.244 0.000 1.404 306 F CB -0.171 38.423 39.000 -0.677 0.000 1.114 306 F HN -0.181 8.119 8.300 -0.000 0.000 0.584 307 T N 2.056 116.752 114.554 0.237 0.000 2.831 307 T HA 0.129 4.477 4.350 -0.004 0.000 0.291 307 T C 0.175 174.988 174.700 0.187 0.000 0.981 307 T CA 0.006 62.296 62.100 0.317 0.000 1.174 307 T CB 0.727 69.787 68.868 0.320 0.000 0.929 307 T HN -0.247 7.993 8.240 -0.000 0.000 0.532 308 V N 5.213 125.240 119.914 0.187 0.000 2.348 308 V HA 0.233 4.351 4.120 -0.004 0.000 0.270 308 V C 1.414 177.591 176.094 0.137 0.000 1.037 308 V CA -0.397 61.964 62.300 0.102 0.000 0.872 308 V CB 0.855 32.689 31.823 0.018 0.000 1.002 308 V HN 1.137 9.327 8.190 -0.000 0.000 0.464 309 T N -0.211 114.409 114.554 0.110 0.000 3.145 309 T HA 0.327 4.675 4.350 -0.004 0.000 0.255 309 T C 0.449 175.185 174.700 0.059 0.000 1.039 309 T CA 0.313 62.479 62.100 0.110 0.000 0.928 309 T CB 0.003 68.928 68.868 0.096 0.000 1.029 309 T HN 0.775 9.015 8.240 -0.000 0.000 0.554 310 S N 0.000 115.732 115.700 0.053 0.000 2.498 310 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 310 S CA 0.000 58.225 58.200 0.042 0.000 1.107 310 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 310 S HN 0.000 8.310 8.310 -0.000 0.000 0.517