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 2p9k_1_C DATA FIRST_RESID 2 DATA SEQUENCE AYHSFLVEPI SCHAWNKDRT QIAICPNNHE VHIYEKSGNK WVQVHELKEH DATA SEQUENCE NGQVTGVDWA PDSNRIVTCG TDRNAYVWTL KGRTWKPTLV ILRINRAARC DATA SEQUENCE VRWAPNEKKF AVGSGSRVIS ICYFEQENDW WVCKHIKKPI RSTVLSLDWH DATA SEQUENCE PNSVLLAAGS CDFKCRIFSA YIKEVEERPA PTPWGSKMPF GELMFESSSS DATA SEQUENCE CGWVHGVCFS ANGSRVAWVS HDSTVCLADA DKKMAVATLA SETLPLLAVT DATA SEQUENCE FITESSLVAA GHDCFPVLFT YDSAAGKLSF GGRLDVPXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXAGL DSLHKNSVSQ ISVLSGGKAK CSQFCTTGMD DATA SEQUENCE GGMSIWDVRS LESALKDLKI V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 4.320 4.320 0.000 0.000 0.244 2 A C 0.000 177.455 177.584 -0.214 0.000 1.274 2 A CA 0.000 51.895 52.037 -0.238 0.000 0.836 2 A CB 0.000 18.890 19.000 -0.183 0.000 0.831 3 Y N 2.305 122.451 120.300 -0.256 0.000 2.360 3 Y HA 0.734 5.284 4.550 0.001 0.000 0.337 3 Y C -0.245 175.585 175.900 -0.118 0.000 1.039 3 Y CA -0.302 57.656 58.100 -0.237 0.000 1.109 3 Y CB 1.201 39.495 38.460 -0.278 0.000 1.201 3 Y HN 0.827 9.107 8.280 0.000 0.000 0.458 4 H N 2.770 121.403 119.070 -0.728 0.000 2.679 4 H HA 0.452 5.009 4.556 0.001 0.000 0.360 4 H C -1.424 173.353 175.328 -0.918 0.000 1.105 4 H CA -0.608 55.064 56.048 -0.626 0.000 1.196 4 H CB 1.798 31.206 29.762 -0.590 0.000 1.636 4 H HN 0.541 8.821 8.280 0.000 0.000 0.531 5 S N 4.806 119.751 115.700 -1.258 0.000 2.422 5 S HA 0.228 4.698 4.470 0.001 0.000 0.308 5 S C 0.174 174.187 174.600 -0.978 0.000 1.097 5 S CA -0.553 57.153 58.200 -0.824 0.000 1.099 5 S CB -0.111 62.923 63.200 -0.278 0.000 0.976 5 S HN 0.638 8.948 8.310 0.000 0.000 0.471 6 F N 4.636 124.273 119.950 -0.523 0.000 2.530 6 F HA 0.366 4.894 4.527 0.001 0.000 0.292 6 F C 0.706 176.400 175.800 -0.177 0.000 1.109 6 F CA -0.008 57.764 58.000 -0.380 0.000 1.450 6 F CB 0.358 39.084 39.000 -0.456 0.000 1.114 6 F HN 0.582 8.882 8.300 0.000 0.000 0.560 7 L N -4.116 117.123 121.223 0.026 0.000 3.020 7 L HA 0.371 4.712 4.340 0.001 0.000 0.273 7 L C 0.311 177.198 176.870 0.028 0.000 1.018 7 L CA -0.931 53.934 54.840 0.042 0.000 0.950 7 L CB 1.508 43.606 42.059 0.066 0.000 1.510 7 L HN -0.274 7.956 8.230 0.000 0.000 0.404 8 V N -3.326 116.610 119.914 0.036 0.000 3.354 8 V HA 0.323 4.443 4.120 0.001 0.000 0.258 8 V C 0.830 176.952 176.094 0.046 0.000 1.159 8 V CA 0.435 62.761 62.300 0.043 0.000 1.125 8 V CB -0.466 31.380 31.823 0.037 0.000 0.774 8 V HN 0.754 8.944 8.190 0.000 0.000 0.464 9 E N 1.389 121.612 120.200 0.038 0.000 2.322 9 E HA 0.364 4.715 4.350 0.001 0.000 0.257 9 E C -2.533 174.086 176.600 0.032 0.000 1.155 9 E CA -2.250 54.169 56.400 0.032 0.000 0.936 9 E CB 0.275 29.987 29.700 0.021 0.000 1.130 9 E HN 0.268 8.628 8.360 0.000 0.000 0.465 10 P HA 0.058 4.478 4.420 0.000 0.000 0.269 10 P C -0.610 176.690 177.300 0.001 0.000 1.215 10 P CA 0.393 63.506 63.100 0.021 0.000 0.780 10 P CB 0.413 32.121 31.700 0.014 0.000 0.898 11 I N 2.009 122.583 120.570 0.007 0.000 2.307 11 I HA 0.066 4.237 4.170 0.001 0.000 0.287 11 I C 1.195 177.305 176.117 -0.011 0.000 1.054 11 I CA 0.143 61.432 61.300 -0.017 0.000 1.218 11 I CB 0.663 38.666 38.000 0.005 0.000 1.398 11 I HN 0.332 8.542 8.210 0.000 0.000 0.475 12 S N 4.303 119.980 115.700 -0.039 0.000 2.382 12 S HA -0.099 4.372 4.470 0.001 0.000 0.228 12 S C 0.487 175.065 174.600 -0.037 0.000 1.027 12 S CA 0.722 58.897 58.200 -0.041 0.000 0.991 12 S CB -0.213 62.948 63.200 -0.065 0.000 0.823 12 S HN 0.861 9.171 8.310 0.000 0.000 0.469 13 C N -0.394 118.883 119.300 -0.039 0.000 3.231 13 C HA 0.711 5.172 4.460 0.001 0.000 0.343 13 C C -0.892 174.089 174.990 -0.015 0.000 1.349 13 C CA -1.236 57.754 59.018 -0.047 0.000 1.209 13 C CB 1.100 28.784 27.740 -0.093 0.000 1.475 13 C HN 0.641 8.871 8.230 0.000 0.000 0.460 14 H N 0.357 119.413 119.070 -0.022 0.000 2.960 14 H HA 0.872 5.429 4.556 0.001 0.000 0.323 14 H C -1.114 174.248 175.328 0.057 0.000 1.326 14 H CA -0.169 55.851 56.048 -0.047 0.000 1.124 14 H CB 1.396 31.115 29.762 -0.072 0.000 1.853 14 H HN 2.093 10.373 8.280 0.000 0.000 0.536 15 A N 0.631 123.599 122.820 0.246 0.000 2.555 15 A HA 0.467 4.788 4.320 0.001 0.000 0.297 15 A C -2.374 175.466 177.584 0.426 0.000 1.060 15 A CA -0.773 51.493 52.037 0.381 0.000 0.710 15 A CB 1.025 20.222 19.000 0.328 0.000 1.282 15 A HN 0.517 8.667 8.150 0.000 0.000 0.399 16 W N 2.242 123.737 121.300 0.324 0.000 2.570 16 W HA 0.530 5.191 4.660 0.002 0.000 0.337 16 W C 0.630 176.978 176.519 -0.285 0.000 1.067 16 W CA -0.144 57.252 57.345 0.085 0.000 1.229 16 W CB 1.300 30.805 29.460 0.076 0.000 1.355 16 W HN 0.889 9.069 8.180 0.000 0.000 0.555 17 N N 1.172 119.457 118.700 -0.691 0.000 2.285 17 N HA 0.063 4.804 4.740 0.001 0.000 0.262 17 N C 0.939 176.197 175.510 -0.419 0.000 1.299 17 N CA -0.212 52.038 53.050 -1.334 0.000 0.930 17 N CB 0.275 37.887 38.487 -1.459 0.000 1.157 17 N HN 0.542 8.922 8.380 0.000 0.000 0.532 18 K N -0.992 119.216 120.400 -0.321 0.000 2.032 18 K HA -0.142 4.178 4.320 0.001 0.000 0.209 18 K C 0.180 176.748 176.600 -0.054 0.000 1.048 18 K CA 1.659 57.881 56.287 -0.109 0.000 0.927 18 K CB -0.153 32.311 32.500 -0.059 0.000 0.712 18 K HN 0.468 8.718 8.250 0.000 0.000 0.441 19 D N 0.333 120.704 120.400 -0.048 0.000 2.349 19 D HA -0.017 4.624 4.640 0.001 0.000 0.224 19 D C -0.133 176.191 176.300 0.041 0.000 1.029 19 D CA 0.279 54.278 54.000 -0.001 0.000 0.879 19 D CB 0.294 41.102 40.800 0.013 0.000 0.906 19 D HN 0.132 8.502 8.370 0.000 0.000 0.528 20 R N -0.782 119.773 120.500 0.092 0.000 3.641 20 R HA -0.161 4.180 4.340 0.001 0.000 0.286 20 R C 1.052 177.593 176.300 0.401 0.000 1.153 20 R CA 0.538 56.801 56.100 0.271 0.000 0.775 20 R CB -3.357 26.900 30.300 -0.071 0.000 1.215 20 R HN 0.174 8.444 8.270 0.000 0.000 0.474 21 T N -0.549 114.163 114.554 0.263 0.000 3.044 21 T HA 0.107 4.458 4.350 0.001 0.000 0.255 21 T C 0.481 175.359 174.700 0.296 0.000 1.073 21 T CA 1.015 63.246 62.100 0.219 0.000 1.125 21 T CB 0.331 69.266 68.868 0.112 0.000 0.908 21 T HN 0.350 8.590 8.240 0.000 0.000 0.480 22 Q N 0.217 120.164 119.800 0.245 0.000 2.423 22 Q HA 0.653 4.994 4.340 0.001 0.000 0.278 22 Q C -1.522 174.464 176.000 -0.024 0.000 1.097 22 Q CA -0.589 55.341 55.803 0.211 0.000 0.809 22 Q CB 3.223 32.109 28.738 0.246 0.000 1.391 22 Q HN 0.287 8.557 8.270 0.000 0.000 0.428 23 I N 0.629 121.076 120.570 -0.206 0.000 2.582 23 I HA 0.737 4.907 4.170 0.001 0.000 0.292 23 I C -1.521 174.437 176.117 -0.265 0.000 1.066 23 I CA -0.738 60.156 61.300 -0.677 0.000 1.053 23 I CB 1.520 38.541 38.000 -1.631 0.000 1.241 23 I HN 0.753 8.963 8.210 0.000 0.000 0.421 24 A N 8.473 131.222 122.820 -0.118 0.000 2.288 24 A HA 0.792 5.112 4.320 0.001 0.000 0.320 24 A C -0.673 176.794 177.584 -0.195 0.000 1.217 24 A CA -0.561 51.401 52.037 -0.125 0.000 0.840 24 A CB 0.664 19.573 19.000 -0.152 0.000 1.179 24 A HN 0.739 8.889 8.150 0.000 0.000 0.504 25 I N -0.795 119.633 120.570 -0.237 0.000 3.042 25 I HA 0.730 4.901 4.170 0.001 0.000 0.310 25 I C -0.755 175.218 176.117 -0.241 0.000 1.117 25 I CA -0.960 60.195 61.300 -0.241 0.000 1.003 25 I CB 1.978 39.743 38.000 -0.391 0.000 1.228 25 I HN 0.533 8.743 8.210 0.000 0.000 0.443 26 C N 5.481 124.656 119.300 -0.208 0.000 2.271 26 C HA 0.583 5.043 4.460 0.001 0.000 0.323 26 C C -2.036 172.831 174.990 -0.204 0.000 1.245 26 C CA -1.736 57.147 59.018 -0.226 0.000 1.548 26 C CB 0.903 28.539 27.740 -0.173 0.000 2.214 26 C HN 0.689 8.919 8.230 0.000 0.000 0.477 27 P HA 0.110 4.530 4.420 0.000 0.000 0.228 27 P C 0.108 177.345 177.300 -0.105 0.000 1.748 27 P CA 0.637 63.628 63.100 -0.182 0.000 0.909 27 P CB -0.566 30.990 31.700 -0.241 0.000 1.882 28 N N 1.330 119.982 118.700 -0.079 0.000 2.741 28 N HA -0.215 4.525 4.740 0.001 0.000 0.250 28 N C -0.216 175.284 175.510 -0.016 0.000 1.115 28 N CA 1.507 54.535 53.050 -0.038 0.000 0.724 28 N CB -1.430 37.046 38.487 -0.018 0.000 1.090 28 N HN 0.498 8.878 8.380 0.000 0.000 0.558 29 N N -2.581 116.107 118.700 -0.020 0.000 3.600 29 N HA 0.370 5.110 4.740 0.001 0.000 0.348 29 N C 0.255 175.881 175.510 0.193 0.000 1.649 29 N CA -0.371 52.718 53.050 0.064 0.000 0.710 29 N CB -0.098 38.373 38.487 -0.027 0.000 2.380 29 N HN -0.052 8.328 8.380 0.000 0.000 0.631 30 H N -1.044 118.003 119.070 -0.038 0.000 2.548 30 H HA 0.370 4.926 4.556 0.001 0.000 0.265 30 H C -0.346 174.983 175.328 0.002 0.000 0.969 30 H CA 0.095 56.144 56.048 0.001 0.000 1.155 30 H CB -0.054 29.738 29.762 0.050 0.000 1.394 30 H HN 0.536 8.816 8.280 0.000 0.000 0.570 31 E N -0.039 120.199 120.200 0.062 0.000 2.254 31 E HA 0.540 4.891 4.350 0.001 0.000 0.258 31 E C -0.716 175.783 176.600 -0.168 0.000 1.033 31 E CA -0.993 55.397 56.400 -0.016 0.000 0.893 31 E CB 2.388 32.112 29.700 0.041 0.000 1.204 31 E HN -0.205 8.155 8.360 0.000 0.000 0.425 32 V N 1.794 121.596 119.914 -0.187 0.000 2.525 32 V HA 0.196 4.317 4.120 0.001 0.000 0.299 32 V C -1.261 174.767 176.094 -0.109 0.000 1.034 32 V CA -0.844 61.293 62.300 -0.272 0.000 0.863 32 V CB 1.319 32.900 31.823 -0.404 0.000 0.999 32 V HN 0.564 8.754 8.190 0.000 0.000 0.423 33 H N 4.640 123.596 119.070 -0.190 0.000 2.459 33 H HA 0.618 5.174 4.556 0.001 0.000 0.332 33 H C -0.300 174.930 175.328 -0.163 0.000 1.094 33 H CA -0.899 55.048 56.048 -0.169 0.000 1.224 33 H CB 1.625 31.355 29.762 -0.053 0.000 1.449 33 H HN 0.478 8.758 8.280 0.000 0.000 0.484 34 I N 3.733 124.259 120.570 -0.074 0.000 2.377 34 I HA 0.193 4.364 4.170 0.001 0.000 0.293 34 I C -0.668 175.423 176.117 -0.044 0.000 0.987 34 I CA -0.649 60.644 61.300 -0.011 0.000 1.185 34 I CB 0.761 38.787 38.000 0.043 0.000 1.341 34 I HN 0.368 8.578 8.210 0.000 0.000 0.455 35 Y N 3.997 124.275 120.300 -0.036 0.000 2.393 35 Y HA 0.418 4.969 4.550 0.002 0.000 0.341 35 Y C 0.054 176.132 175.900 0.297 0.000 0.988 35 Y CA -0.789 57.374 58.100 0.105 0.000 1.078 35 Y CB 1.760 40.237 38.460 0.028 0.000 1.203 35 Y HN 0.484 8.764 8.280 0.000 0.000 0.453 36 E N 2.837 123.313 120.200 0.461 0.000 2.195 36 E HA 0.329 4.680 4.350 0.001 0.000 0.271 36 E C -1.207 175.554 176.600 0.268 0.000 0.923 36 E CA -0.949 55.670 56.400 0.364 0.000 0.790 36 E CB 1.150 30.971 29.700 0.201 0.000 1.155 36 E HN 0.481 8.841 8.360 0.000 0.000 0.402 37 K N 1.921 122.312 120.400 -0.016 0.000 2.234 37 K HA 0.185 4.506 4.320 0.001 0.000 0.282 37 K C -1.094 175.360 176.600 -0.245 0.000 1.039 37 K CA -0.141 55.848 56.287 -0.497 0.000 0.928 37 K CB 1.283 33.261 32.500 -0.869 0.000 1.039 37 K HN 0.365 8.615 8.250 0.000 0.000 0.470 38 S N 3.000 118.555 115.700 -0.242 0.000 2.718 38 S HA 0.499 4.969 4.470 0.001 0.000 0.294 38 S C 0.242 174.743 174.600 -0.165 0.000 1.157 38 S CA 0.327 58.444 58.200 -0.139 0.000 1.121 38 S CB 0.501 63.660 63.200 -0.069 0.000 1.015 38 S HN 1.005 9.315 8.310 0.000 0.000 0.479 39 G N 5.536 114.246 108.800 -0.150 0.000 2.561 39 G HA2 -0.316 3.645 3.960 0.001 0.000 0.289 39 G HA3 -0.316 3.645 3.960 0.001 0.000 0.289 39 G C 0.198 174.977 174.900 -0.201 0.000 1.169 39 G CA 0.562 45.579 45.100 -0.137 0.000 0.980 39 G HN 0.757 9.047 8.290 0.000 0.000 0.550 40 N N 1.229 119.820 118.700 -0.181 0.000 2.238 40 N HA 0.301 5.042 4.740 0.001 0.000 0.222 40 N C 0.008 175.356 175.510 -0.269 0.000 1.133 40 N CA 0.065 52.985 53.050 -0.217 0.000 0.854 40 N CB 0.572 38.981 38.487 -0.130 0.000 1.041 40 N HN 0.231 8.611 8.380 0.000 0.000 0.510 41 K N -0.127 120.099 120.400 -0.290 0.000 2.281 41 K HA 0.363 4.683 4.320 0.001 0.000 0.242 41 K C -1.055 175.328 176.600 -0.362 0.000 0.971 41 K CA -0.476 55.670 56.287 -0.236 0.000 0.834 41 K CB 1.456 33.910 32.500 -0.077 0.000 1.181 41 K HN 0.021 8.271 8.250 0.000 0.000 0.435 42 W N 0.520 121.778 121.300 -0.070 0.000 2.478 42 W HA 0.452 5.113 4.660 0.001 0.000 0.318 42 W C -0.386 176.253 176.519 0.199 0.000 1.062 42 W CA -0.731 56.652 57.345 0.063 0.000 1.210 42 W CB 1.575 31.038 29.460 0.005 0.000 1.325 42 W HN -0.006 8.174 8.180 0.000 0.000 0.496 43 V N 3.100 123.276 119.914 0.438 0.000 2.540 43 V HA 0.245 4.366 4.120 0.001 0.000 0.302 43 V C -0.165 176.007 176.094 0.130 0.000 1.035 43 V CA -1.205 61.242 62.300 0.244 0.000 0.873 43 V CB 1.560 33.444 31.823 0.101 0.000 0.992 43 V HN 0.494 8.684 8.190 0.000 0.000 0.428 44 Q N 2.203 121.932 119.800 -0.119 0.000 2.304 44 Q HA 0.323 4.664 4.340 0.001 0.000 0.260 44 Q C 0.489 176.303 176.000 -0.311 0.000 0.965 44 Q CA -0.053 55.418 55.803 -0.554 0.000 0.898 44 Q CB 1.503 29.833 28.738 -0.680 0.000 1.196 44 Q HN 0.825 9.095 8.270 0.000 0.000 0.402 45 V N 0.377 120.109 119.914 -0.304 0.000 3.572 45 V HA 0.366 4.487 4.120 0.001 0.000 0.260 45 V C 0.140 175.895 176.094 -0.564 0.000 1.324 45 V CA 0.020 62.113 62.300 -0.346 0.000 1.068 45 V CB 0.371 32.037 31.823 -0.260 0.000 0.837 45 V HN 0.706 8.896 8.190 0.000 0.000 0.450 46 H N 0.635 119.645 119.070 -0.101 0.000 3.016 46 H HA 0.702 5.259 4.556 0.001 0.000 0.362 46 H C -1.367 173.858 175.328 -0.172 0.000 1.233 46 H CA -0.447 55.561 56.048 -0.066 0.000 1.124 46 H CB 2.248 32.035 29.762 0.042 0.000 1.850 46 H HN 0.411 8.691 8.280 0.000 0.000 0.549 47 E N 2.012 122.220 120.200 0.013 0.000 2.502 47 E HA 0.172 4.523 4.350 0.001 0.000 0.261 47 E C -0.986 175.567 176.600 -0.078 0.000 0.974 47 E CA -0.653 55.717 56.400 -0.049 0.000 0.795 47 E CB 1.533 31.172 29.700 -0.102 0.000 1.385 47 E HN 0.080 8.440 8.360 0.000 0.000 0.400 48 L N 3.315 124.367 121.223 -0.284 0.000 2.407 48 L HA 0.189 4.529 4.340 0.001 0.000 0.282 48 L C 0.029 176.790 176.870 -0.182 0.000 1.110 48 L CA 0.426 54.938 54.840 -0.547 0.000 0.863 48 L CB -0.339 40.783 42.059 -1.561 0.000 1.207 48 L HN 0.278 8.508 8.230 0.000 0.000 0.454 49 K N 3.290 123.733 120.400 0.070 0.000 2.389 49 K HA 0.364 4.684 4.320 0.001 0.000 0.261 49 K C 0.244 176.942 176.600 0.163 0.000 1.014 49 K CA -0.202 56.160 56.287 0.125 0.000 0.920 49 K CB 1.877 34.431 32.500 0.091 0.000 1.149 49 K HN 0.398 8.648 8.250 0.000 0.000 0.444 50 E N 0.398 120.682 120.200 0.140 0.000 2.756 50 E HA 0.042 4.393 4.350 0.001 0.000 0.218 50 E C -0.323 176.208 176.600 -0.114 0.000 1.042 50 E CA 0.147 56.476 56.400 -0.119 0.000 1.713 50 E CB 0.332 29.714 29.700 -0.530 0.000 2.443 50 E HN 0.492 8.852 8.360 0.000 0.000 1.080 51 H N 0.578 119.681 119.070 0.055 0.000 2.929 51 H HA 0.092 4.648 4.556 0.001 0.000 0.358 51 H C -0.143 175.232 175.328 0.078 0.000 1.111 51 H CA 1.092 57.231 56.048 0.151 0.000 1.409 51 H CB 0.853 30.689 29.762 0.124 0.000 1.373 51 H HN 0.088 8.368 8.280 0.000 0.000 0.610 52 N N 0.501 119.285 118.700 0.140 0.000 2.401 52 N HA 0.216 4.956 4.740 0.001 0.000 0.264 52 N C -0.548 174.804 175.510 -0.263 0.000 1.238 52 N CA -0.180 52.917 53.050 0.078 0.000 0.889 52 N CB 0.551 39.099 38.487 0.102 0.000 1.196 52 N HN 0.747 9.127 8.380 0.000 0.000 0.511 53 G N -0.903 107.432 108.800 -0.774 0.000 2.559 53 G HA2 0.189 4.150 3.960 0.001 0.000 0.291 53 G HA3 0.189 4.150 3.960 0.001 0.000 0.291 53 G C -1.492 172.898 174.900 -0.851 0.000 1.424 53 G CA -0.768 43.747 45.100 -0.974 0.000 0.786 53 G HN 0.133 8.423 8.290 0.000 0.000 0.485 54 Q N -0.074 119.496 119.800 -0.383 0.000 2.300 54 Q HA 0.274 4.615 4.340 0.001 0.000 0.280 54 Q C 0.182 176.056 176.000 -0.209 0.000 1.033 54 Q CA -0.088 55.634 55.803 -0.135 0.000 0.903 54 Q CB 1.767 30.482 28.738 -0.039 0.000 1.195 54 Q HN 0.276 8.546 8.270 0.000 0.000 0.386 55 V N 2.995 122.776 119.914 -0.222 0.000 2.572 55 V HA -0.021 4.100 4.120 0.001 0.000 0.291 55 V C 1.312 177.279 176.094 -0.212 0.000 1.039 55 V CA 0.810 62.910 62.300 -0.333 0.000 1.055 55 V CB 1.061 32.694 31.823 -0.317 0.000 0.969 55 V HN 1.028 9.218 8.190 0.000 0.000 0.482 56 T N 0.481 114.913 114.554 -0.203 0.000 2.971 56 T HA 0.376 4.726 4.350 0.001 0.000 0.252 56 T C 0.608 175.238 174.700 -0.117 0.000 1.022 56 T CA 0.433 62.452 62.100 -0.135 0.000 0.980 56 T CB 0.587 69.385 68.868 -0.116 0.000 1.044 56 T HN 0.909 9.149 8.240 0.000 0.000 0.501 57 G N 0.395 109.114 108.800 -0.135 0.000 2.706 57 G HA2 0.588 4.549 3.960 0.001 0.000 0.297 57 G HA3 0.588 4.549 3.960 0.001 0.000 0.297 57 G C -1.923 172.907 174.900 -0.116 0.000 1.403 57 G CA -0.662 44.374 45.100 -0.106 0.000 0.954 57 G HN 0.280 8.570 8.290 0.000 0.000 0.500 58 V N 0.970 120.830 119.914 -0.091 0.000 2.777 58 V HA 0.657 4.778 4.120 0.001 0.000 0.306 58 V C -1.508 174.592 176.094 0.010 0.000 1.112 58 V CA -0.737 61.515 62.300 -0.080 0.000 0.917 58 V CB 2.205 33.962 31.823 -0.110 0.000 1.018 58 V HN 0.812 9.002 8.190 0.000 0.000 0.426 59 D N 2.058 122.501 120.400 0.072 0.000 2.934 59 D HA 0.432 5.072 4.640 0.001 0.000 0.230 59 D C -1.841 174.757 176.300 0.498 0.000 1.204 59 D CA -0.286 53.886 54.000 0.286 0.000 0.873 59 D CB 2.246 43.221 40.800 0.293 0.000 1.645 59 D HN 0.481 8.851 8.370 0.000 0.000 0.502 60 W N 3.959 125.457 121.300 0.330 0.000 2.318 60 W HA 0.677 5.337 4.660 0.001 0.000 0.315 60 W C -0.868 175.703 176.519 0.088 0.000 1.033 60 W CA -1.274 56.204 57.345 0.221 0.000 1.275 60 W CB 0.944 30.494 29.460 0.150 0.000 1.250 60 W HN 0.499 8.679 8.180 0.000 0.000 0.421 61 A N 9.403 132.255 122.820 0.053 0.000 2.451 61 A HA 0.262 4.582 4.320 0.001 0.000 0.266 61 A C -1.203 176.419 177.584 0.064 0.000 1.119 61 A CA -0.807 51.047 52.037 -0.305 0.000 0.786 61 A CB 0.259 18.586 19.000 -1.122 0.000 1.061 61 A HN 0.484 8.634 8.150 0.000 0.000 0.503 62 P HA -0.201 4.219 4.420 0.000 0.000 0.210 62 P C 0.453 177.772 177.300 0.032 0.000 1.185 62 P CA 1.507 64.626 63.100 0.031 0.000 0.924 62 P CB 0.127 31.842 31.700 0.025 0.000 0.786 63 D N 0.117 120.522 120.400 0.009 0.000 2.084 63 D HA -0.114 4.527 4.640 0.001 0.000 0.194 63 D C 2.142 178.455 176.300 0.022 0.000 0.990 63 D CA 1.991 55.998 54.000 0.013 0.000 0.826 63 D CB -0.873 39.928 40.800 0.002 0.000 0.971 63 D HN 0.294 8.664 8.370 0.000 0.000 0.453 64 S N 0.105 115.798 115.700 -0.012 0.000 2.607 64 S HA -0.131 4.339 4.470 0.001 0.000 0.224 64 S C 0.832 175.481 174.600 0.081 0.000 0.969 64 S CA 0.338 58.537 58.200 -0.001 0.000 0.927 64 S CB -0.633 62.524 63.200 -0.072 0.000 0.772 64 S HN 0.342 8.652 8.310 0.000 0.000 0.533 65 N N 1.087 119.889 118.700 0.169 0.000 2.716 65 N HA -0.190 4.551 4.740 0.001 0.000 0.250 65 N C -0.942 174.869 175.510 0.500 0.000 1.033 65 N CA 0.282 53.596 53.050 0.440 0.000 0.727 65 N CB -0.608 38.102 38.487 0.370 0.000 0.950 65 N HN 0.613 8.993 8.380 0.000 0.000 0.541 66 R N 0.554 121.206 120.500 0.253 0.000 2.589 66 R HA 0.565 4.906 4.340 0.001 0.000 0.293 66 R C -0.085 176.270 176.300 0.092 0.000 0.963 66 R CA -0.604 55.625 56.100 0.214 0.000 0.905 66 R CB 1.335 31.712 30.300 0.127 0.000 1.144 66 R HN 0.163 8.433 8.270 0.000 0.000 0.459 67 I N 2.457 123.027 120.570 -0.001 0.000 2.377 67 I HA 0.313 4.483 4.170 0.001 0.000 0.293 67 I C -0.458 175.790 176.117 0.217 0.000 0.987 67 I CA -0.942 60.243 61.300 -0.190 0.000 1.185 67 I CB 1.960 39.412 38.000 -0.914 0.000 1.341 67 I HN 0.210 8.420 8.210 0.000 0.000 0.455 68 V N 6.202 126.219 119.914 0.171 0.000 2.495 68 V HA 0.690 4.811 4.120 0.001 0.000 0.298 68 V C -0.158 175.857 176.094 -0.132 0.000 1.031 68 V CA 0.013 62.210 62.300 -0.172 0.000 0.871 68 V CB 2.184 33.385 31.823 -1.038 0.000 0.988 68 V HN 0.908 9.098 8.190 0.000 0.000 0.432 69 T N 3.329 117.904 114.554 0.034 0.000 2.907 69 T HA 0.767 5.118 4.350 0.001 0.000 0.292 69 T C -0.469 174.302 174.700 0.118 0.000 1.043 69 T CA -0.487 61.667 62.100 0.091 0.000 1.003 69 T CB 1.317 70.365 68.868 0.300 0.000 1.084 69 T HN 1.348 9.588 8.240 0.000 0.000 0.483 70 C N -0.017 119.254 119.300 -0.050 0.000 2.898 70 C HA 1.071 5.532 4.460 0.001 0.000 0.304 70 C C 0.418 175.263 174.990 -0.242 0.000 1.237 70 C CA -0.252 58.748 59.018 -0.030 0.000 1.529 70 C CB 0.946 28.646 27.740 -0.067 0.000 2.021 70 C HN 1.433 9.663 8.230 0.000 0.000 0.474 71 G N 0.292 109.005 108.800 -0.146 0.000 2.766 71 G HA2 0.616 4.576 3.960 0.001 0.000 0.288 71 G HA3 0.616 4.576 3.960 0.001 0.000 0.288 71 G C 0.428 175.272 174.900 -0.094 0.000 1.408 71 G CA 0.228 45.193 45.100 -0.226 0.000 0.852 71 G HN 1.407 9.697 8.290 0.000 0.000 0.487 72 T N -2.083 112.400 114.554 -0.118 0.000 3.155 72 T HA -0.051 4.300 4.350 0.001 0.000 0.264 72 T C 1.156 175.817 174.700 -0.065 0.000 1.160 72 T CA 1.632 63.678 62.100 -0.091 0.000 1.075 72 T CB -0.168 68.642 68.868 -0.097 0.000 0.921 72 T HN 0.483 8.723 8.240 0.000 0.000 0.533 73 D N 0.992 121.371 120.400 -0.035 0.000 2.328 73 D HA 0.031 4.672 4.640 0.001 0.000 0.226 73 D C 1.046 177.342 176.300 -0.007 0.000 1.066 73 D CA -0.296 53.699 54.000 -0.008 0.000 0.861 73 D CB -0.439 40.383 40.800 0.038 0.000 0.912 73 D HN 0.516 8.886 8.370 0.000 0.000 0.521 74 R N -1.649 118.839 120.500 -0.020 0.000 3.892 74 R HA -0.117 4.224 4.340 0.001 0.000 0.441 74 R C -0.455 175.810 176.300 -0.060 0.000 1.052 74 R CA 0.789 56.864 56.100 -0.043 0.000 1.190 74 R CB -2.025 28.246 30.300 -0.048 0.000 1.808 74 R HN 0.242 8.512 8.270 0.000 0.000 0.538 75 N N 0.232 118.907 118.700 -0.042 0.000 2.459 75 N HA 0.720 5.461 4.740 0.001 0.000 0.288 75 N C -0.731 174.700 175.510 -0.132 0.000 1.186 75 N CA 0.035 52.973 53.050 -0.187 0.000 0.917 75 N CB 1.866 40.120 38.487 -0.388 0.000 1.219 75 N HN 0.225 8.605 8.380 0.000 0.000 0.525 76 A N 1.057 123.650 122.820 -0.379 0.000 2.398 76 A HA 0.675 4.996 4.320 0.001 0.000 0.301 76 A C -1.814 175.414 177.584 -0.594 0.000 1.041 76 A CA -0.531 51.340 52.037 -0.277 0.000 0.711 76 A CB 0.755 19.659 19.000 -0.160 0.000 1.240 76 A HN 0.613 8.763 8.150 0.000 0.000 0.420 77 Y N 0.856 121.021 120.300 -0.227 0.000 2.425 77 Y HA 0.523 5.074 4.550 0.002 0.000 0.344 77 Y C 0.051 175.669 175.900 -0.470 0.000 0.969 77 Y CA -0.843 56.995 58.100 -0.436 0.000 1.052 77 Y CB 2.359 40.403 38.460 -0.693 0.000 1.215 77 Y HN 0.433 8.713 8.280 0.000 0.000 0.451 78 V N 2.571 122.281 119.914 -0.340 0.000 2.439 78 V HA 0.239 4.360 4.120 0.001 0.000 0.282 78 V C -1.101 174.932 176.094 -0.102 0.000 1.039 78 V CA -0.898 61.284 62.300 -0.196 0.000 0.913 78 V CB 0.658 32.364 31.823 -0.194 0.000 0.983 78 V HN 0.666 8.856 8.190 0.000 0.000 0.460 79 W N 2.531 123.894 121.300 0.106 0.000 2.475 79 W HA 0.632 5.292 4.660 0.001 0.000 0.317 79 W C 0.169 176.922 176.519 0.390 0.000 1.046 79 W CA -0.423 57.037 57.345 0.192 0.000 1.215 79 W CB 1.617 31.087 29.460 0.018 0.000 1.335 79 W HN 0.364 8.544 8.180 0.000 0.000 0.471 80 T N 4.161 119.024 114.554 0.515 0.000 2.807 80 T HA 0.352 4.702 4.350 0.001 0.000 0.279 80 T C -1.046 173.673 174.700 0.032 0.000 0.993 80 T CA -0.675 61.599 62.100 0.290 0.000 0.970 80 T CB 1.060 70.021 68.868 0.156 0.000 0.950 80 T HN 0.201 8.441 8.240 0.000 0.000 0.441 81 L N 4.098 125.041 121.223 -0.467 0.000 2.295 81 L HA 0.451 4.792 4.340 0.001 0.000 0.288 81 L C -0.265 176.368 176.870 -0.394 0.000 1.079 81 L CA -0.174 54.128 54.840 -0.898 0.000 0.830 81 L CB -0.131 41.025 42.059 -1.505 0.000 1.200 81 L HN 0.337 8.567 8.230 0.000 0.000 0.438 82 K N 4.381 124.631 120.400 -0.250 0.000 2.266 82 K HA 0.621 4.942 4.320 0.001 0.000 0.274 82 K C 0.878 177.404 176.600 -0.123 0.000 1.090 82 K CA 0.578 56.788 56.287 -0.128 0.000 0.925 82 K CB 0.719 33.186 32.500 -0.055 0.000 1.225 82 K HN 0.801 9.051 8.250 0.000 0.000 0.458 83 G N 2.814 111.546 108.800 -0.114 0.000 3.099 83 G HA2 -0.459 3.502 3.960 0.001 0.000 0.331 83 G HA3 -0.459 3.502 3.960 0.001 0.000 0.331 83 G C 1.134 175.985 174.900 -0.081 0.000 1.216 83 G CA 0.815 45.869 45.100 -0.077 0.000 0.977 83 G HN 0.588 8.878 8.290 0.000 0.000 0.600 84 R N 1.456 121.930 120.500 -0.043 0.000 2.254 84 R HA 0.350 4.691 4.340 0.001 0.000 0.193 84 R C 1.031 177.361 176.300 0.050 0.000 0.929 84 R CA 1.606 57.713 56.100 0.012 0.000 1.038 84 R CB 0.259 30.580 30.300 0.035 0.000 1.009 84 R HN 0.816 9.086 8.270 0.000 0.000 0.512 85 T N -3.258 111.282 114.554 -0.024 0.000 2.916 85 T HA 0.404 4.755 4.350 0.001 0.000 0.292 85 T C -1.062 173.577 174.700 -0.102 0.000 1.055 85 T CA -0.839 61.273 62.100 0.019 0.000 1.009 85 T CB 1.084 70.019 68.868 0.112 0.000 1.118 85 T HN 0.139 8.379 8.240 0.000 0.000 0.497 86 W N 1.707 122.983 121.300 -0.040 0.000 2.322 86 W HA 0.549 5.210 4.660 0.001 0.000 0.307 86 W C 0.402 177.054 176.519 0.221 0.000 1.220 86 W CA -0.656 56.719 57.345 0.051 0.000 1.210 86 W CB 1.023 30.464 29.460 -0.031 0.000 1.223 86 W HN 0.259 8.439 8.180 0.000 0.000 0.511 87 K N 5.159 125.784 120.400 0.374 0.000 2.182 87 K HA 0.450 4.771 4.320 0.001 0.000 0.262 87 K C -2.512 174.123 176.600 0.058 0.000 0.957 87 K CA -2.002 54.407 56.287 0.202 0.000 0.842 87 K CB 1.595 34.150 32.500 0.091 0.000 1.099 87 K HN 0.171 8.421 8.250 0.000 0.000 0.438 88 P HA 0.278 4.698 4.420 0.000 0.000 0.292 88 P C -0.863 176.242 177.300 -0.325 0.000 1.283 88 P CA -0.483 62.112 63.100 -0.843 0.000 0.835 88 P CB 1.271 31.960 31.700 -1.685 0.000 1.017 89 T N 3.603 118.046 114.554 -0.186 0.000 2.809 89 T HA 0.287 4.638 4.350 0.001 0.000 0.284 89 T C 0.234 174.976 174.700 0.071 0.000 0.992 89 T CA -0.510 61.624 62.100 0.056 0.000 0.957 89 T CB 0.415 69.424 68.868 0.236 0.000 0.942 89 T HN 0.289 8.529 8.240 0.000 0.000 0.439 90 L N 4.073 125.360 121.223 0.106 0.000 2.483 90 L HA 0.373 4.714 4.340 0.001 0.000 0.276 90 L C -0.693 176.132 176.870 -0.075 0.000 1.213 90 L CA 0.117 54.919 54.840 -0.065 0.000 0.843 90 L CB 0.640 42.688 42.059 -0.017 0.000 1.107 90 L HN 0.358 8.588 8.230 0.000 0.000 0.487 91 V N 5.167 124.939 119.914 -0.235 0.000 2.482 91 V HA 0.236 4.357 4.120 0.001 0.000 0.295 91 V C -0.225 175.760 176.094 -0.182 0.000 1.026 91 V CA -0.639 61.576 62.300 -0.142 0.000 0.856 91 V CB 1.694 33.437 31.823 -0.134 0.000 1.001 91 V HN 0.462 8.652 8.190 0.000 0.000 0.424 92 I N 5.557 126.026 120.570 -0.169 0.000 2.347 92 I HA 0.182 4.353 4.170 0.001 0.000 0.294 92 I C 1.160 177.187 176.117 -0.151 0.000 1.090 92 I CA 0.550 61.752 61.300 -0.164 0.000 1.314 92 I CB 0.734 38.633 38.000 -0.169 0.000 1.423 92 I HN 0.544 8.754 8.210 0.000 0.000 0.503 93 L N 5.267 126.430 121.223 -0.100 0.000 2.341 93 L HA 0.145 4.485 4.340 0.001 0.000 0.214 93 L C 0.969 177.881 176.870 0.068 0.000 1.115 93 L CA 0.064 54.889 54.840 -0.025 0.000 0.820 93 L CB -0.318 41.729 42.059 -0.019 0.000 0.944 93 L HN 0.601 8.831 8.230 0.000 0.000 0.452 94 R N 0.950 121.452 120.500 0.003 0.000 3.423 94 R HA -0.159 4.182 4.340 0.001 0.000 0.271 94 R C -0.537 175.832 176.300 0.115 0.000 1.093 94 R CA 0.571 56.696 56.100 0.043 0.000 0.730 94 R CB -2.251 28.045 30.300 -0.006 0.000 1.190 94 R HN 0.483 8.753 8.270 0.000 0.000 0.437 95 I N -2.306 118.272 120.570 0.014 0.000 2.509 95 I HA 0.349 4.520 4.170 0.001 0.000 0.293 95 I C 0.859 176.944 176.117 -0.054 0.000 1.020 95 I CA -1.053 60.215 61.300 -0.053 0.000 1.088 95 I CB 1.817 39.754 38.000 -0.106 0.000 1.267 95 I HN -0.031 8.179 8.210 0.000 0.000 0.430 96 N N 3.852 122.516 118.700 -0.060 0.000 2.322 96 N HA 0.149 4.890 4.740 0.001 0.000 0.194 96 N C 0.085 175.559 175.510 -0.059 0.000 1.126 96 N CA -0.142 52.877 53.050 -0.052 0.000 0.845 96 N CB 0.187 38.647 38.487 -0.045 0.000 0.976 96 N HN 0.519 8.899 8.380 0.000 0.000 0.475 97 R N -0.247 120.209 120.500 -0.073 0.000 2.922 97 R HA 0.660 5.001 4.340 0.001 0.000 0.256 97 R C -0.626 175.628 176.300 -0.077 0.000 1.138 97 R CA -0.862 55.193 56.100 -0.075 0.000 0.995 97 R CB 0.493 30.740 30.300 -0.088 0.000 1.226 97 R HN 0.107 8.377 8.270 0.000 0.000 0.481 98 A N 0.704 123.477 122.820 -0.078 0.000 2.483 98 A HA 0.478 4.799 4.320 0.001 0.000 0.238 98 A C 0.135 177.668 177.584 -0.086 0.000 1.070 98 A CA 0.220 52.211 52.037 -0.078 0.000 0.770 98 A CB 0.015 18.967 19.000 -0.080 0.000 1.008 98 A HN 0.698 8.848 8.150 0.000 0.000 0.497 99 A N 1.103 123.876 122.820 -0.079 0.000 2.340 99 A HA 0.571 4.892 4.320 0.001 0.000 0.268 99 A C 0.963 178.495 177.584 -0.088 0.000 1.100 99 A CA -0.203 51.786 52.037 -0.080 0.000 0.803 99 A CB 0.438 19.399 19.000 -0.064 0.000 1.043 99 A HN 0.969 9.119 8.150 0.000 0.000 0.488 100 R N -0.010 120.438 120.500 -0.087 0.000 2.342 100 R HA 0.218 4.559 4.340 0.001 0.000 0.204 100 R C -0.146 176.111 176.300 -0.073 0.000 0.882 100 R CA 1.285 57.334 56.100 -0.084 0.000 1.041 100 R CB -0.059 30.188 30.300 -0.088 0.000 1.188 100 R HN 1.168 9.438 8.270 0.000 0.000 0.598 101 C N -2.536 116.725 119.300 -0.065 0.000 3.285 101 C HA 0.838 5.298 4.460 0.001 0.000 0.325 101 C C -0.970 173.997 174.990 -0.038 0.000 1.304 101 C CA -1.317 57.672 59.018 -0.050 0.000 1.319 101 C CB 1.318 29.037 27.740 -0.035 0.000 1.640 101 C HN -0.000 8.230 8.230 0.000 0.000 0.477 102 V N 1.752 121.651 119.914 -0.024 0.000 3.048 102 V HA 0.902 5.023 4.120 0.001 0.000 0.303 102 V C -1.785 174.342 176.094 0.054 0.000 1.214 102 V CA -0.215 62.083 62.300 -0.004 0.000 0.984 102 V CB 2.242 34.005 31.823 -0.100 0.000 1.054 102 V HN 1.116 9.306 8.190 0.000 0.000 0.430 103 R N 3.636 124.238 120.500 0.169 0.000 2.566 103 R HA 0.292 4.633 4.340 0.001 0.000 0.271 103 R C -1.772 174.879 176.300 0.585 0.000 1.071 103 R CA -0.405 55.907 56.100 0.352 0.000 0.915 103 R CB 1.774 32.328 30.300 0.423 0.000 1.228 103 R HN 0.783 9.053 8.270 0.000 0.000 0.449 104 W N 1.385 122.930 121.300 0.408 0.000 2.202 104 W HA 0.471 5.131 4.660 0.001 0.000 0.332 104 W C 0.996 177.507 176.519 -0.014 0.000 1.263 104 W CA -0.008 57.514 57.345 0.294 0.000 1.223 104 W CB 0.786 30.363 29.460 0.195 0.000 1.128 104 W HN 0.620 8.800 8.180 0.000 0.000 0.573 105 A N 4.423 127.089 122.820 -0.256 0.000 2.346 105 A HA 0.240 4.561 4.320 0.001 0.000 0.252 105 A C -1.598 175.805 177.584 -0.303 0.000 1.089 105 A CA -0.931 50.377 52.037 -1.216 0.000 0.797 105 A CB -0.034 18.110 19.000 -1.428 0.000 1.047 105 A HN 0.541 8.691 8.150 0.000 0.000 0.494 106 P HA -0.156 4.264 4.420 0.000 0.000 0.217 106 P C 0.948 178.235 177.300 -0.023 0.000 1.150 106 P CA 1.688 64.774 63.100 -0.022 0.000 0.832 106 P CB -0.159 31.553 31.700 0.021 0.000 0.787 107 N N -0.006 118.661 118.700 -0.055 0.000 2.571 107 N HA -0.116 4.625 4.740 0.001 0.000 0.189 107 N C 0.045 175.567 175.510 0.019 0.000 1.154 107 N CA 0.268 53.311 53.050 -0.013 0.000 0.907 107 N CB -0.740 37.740 38.487 -0.012 0.000 0.977 107 N HN 0.073 8.453 8.380 0.000 0.000 0.449 108 E N -0.558 119.663 120.200 0.036 0.000 2.805 108 E HA -0.232 4.119 4.350 0.001 0.000 0.266 108 E C -0.041 176.694 176.600 0.225 0.000 1.092 108 E CA 0.790 57.233 56.400 0.073 0.000 0.781 108 E CB -0.844 28.804 29.700 -0.086 0.000 1.379 108 E HN 0.674 9.034 8.360 0.000 0.000 0.433 109 K N -0.044 120.513 120.400 0.261 0.000 2.358 109 K HA 0.193 4.514 4.320 0.001 0.000 0.200 109 K C 0.315 177.205 176.600 0.484 0.000 1.030 109 K CA 0.340 56.828 56.287 0.334 0.000 1.097 109 K CB 0.629 33.239 32.500 0.183 0.000 0.862 109 K HN 0.010 8.260 8.250 0.000 0.000 0.534 110 K N 0.467 121.151 120.400 0.473 0.000 2.522 110 K HA 0.468 4.789 4.320 0.001 0.000 0.275 110 K C -1.352 175.535 176.600 0.479 0.000 1.006 110 K CA -1.037 55.503 56.287 0.422 0.000 0.890 110 K CB 2.015 34.643 32.500 0.212 0.000 1.475 110 K HN -0.093 8.157 8.250 0.000 0.000 0.441 111 F N -1.517 118.607 119.950 0.290 0.000 2.635 111 F HA 0.740 5.268 4.527 0.001 0.000 0.314 111 F C -1.603 174.380 175.800 0.304 0.000 1.119 111 F CA -1.119 56.989 58.000 0.180 0.000 1.000 111 F CB 1.067 39.730 39.000 -0.562 0.000 1.278 111 F HN 0.509 8.809 8.300 0.000 0.000 0.446 112 A N 2.489 125.692 122.820 0.638 0.000 2.324 112 A HA 0.866 5.187 4.320 0.001 0.000 0.330 112 A C -1.450 176.247 177.584 0.189 0.000 1.165 112 A CA -0.907 51.296 52.037 0.277 0.000 0.813 112 A CB 1.546 20.535 19.000 -0.018 0.000 1.197 112 A HN 0.908 9.058 8.150 0.000 0.000 0.484 113 V N 1.553 121.521 119.914 0.091 0.000 2.531 113 V HA 0.655 4.776 4.120 0.001 0.000 0.301 113 V C 0.703 176.768 176.094 -0.047 0.000 1.034 113 V CA -0.214 62.108 62.300 0.036 0.000 0.865 113 V CB 1.812 33.672 31.823 0.061 0.000 0.995 113 V HN 1.189 9.379 8.190 0.000 0.000 0.424 114 G N 2.736 111.494 108.800 -0.069 0.000 2.367 114 G HA2 0.704 4.665 3.960 0.001 0.000 0.314 114 G HA3 0.704 4.665 3.960 0.001 0.000 0.314 114 G C -0.250 174.586 174.900 -0.107 0.000 1.130 114 G CA 0.054 45.091 45.100 -0.105 0.000 0.864 114 G HN 0.972 9.262 8.290 0.000 0.000 0.486 115 S N -0.348 115.273 115.700 -0.132 0.000 2.685 115 S HA 0.639 5.110 4.470 0.001 0.000 0.282 115 S C 0.925 175.443 174.600 -0.137 0.000 1.159 115 S CA -0.039 58.084 58.200 -0.129 0.000 0.833 115 S CB 1.457 64.576 63.200 -0.136 0.000 1.151 115 S HN 1.101 9.411 8.310 0.000 0.000 0.485 116 G N 0.190 108.914 108.800 -0.127 0.000 2.848 116 G HA2 0.152 4.113 3.960 0.001 0.000 0.208 116 G HA3 0.152 4.113 3.960 0.001 0.000 0.208 116 G C 0.629 175.453 174.900 -0.127 0.000 1.152 116 G CA 0.162 45.185 45.100 -0.127 0.000 0.789 116 G HN 0.648 8.938 8.290 0.000 0.000 0.531 117 S N 0.339 115.955 115.700 -0.140 0.000 2.631 117 S HA 0.136 4.606 4.470 0.001 0.000 0.217 117 S C 1.106 175.611 174.600 -0.158 0.000 0.958 117 S CA -0.439 57.674 58.200 -0.145 0.000 0.920 117 S CB -0.055 63.043 63.200 -0.170 0.000 0.776 117 S HN 0.568 8.878 8.310 0.000 0.000 0.517 118 R N -0.097 120.309 120.500 -0.156 0.000 3.525 118 R HA -0.131 4.209 4.340 0.001 0.000 0.276 118 R C -0.603 175.589 176.300 -0.180 0.000 1.116 118 R CA 0.367 56.375 56.100 -0.153 0.000 0.745 118 R CB -2.338 27.885 30.300 -0.127 0.000 1.185 118 R HN 0.296 8.566 8.270 0.000 0.000 0.454 119 V N 0.080 119.860 119.914 -0.223 0.000 3.188 119 V HA 0.694 4.815 4.120 0.001 0.000 0.305 119 V C -0.958 174.968 176.094 -0.281 0.000 1.232 119 V CA -1.000 61.132 62.300 -0.280 0.000 1.043 119 V CB 2.650 34.239 31.823 -0.390 0.000 1.068 119 V HN 0.218 8.408 8.190 0.000 0.000 0.439 120 I N 2.933 123.331 120.570 -0.287 0.000 2.418 120 I HA 0.453 4.624 4.170 0.001 0.000 0.287 120 I C -0.414 175.641 176.117 -0.104 0.000 1.008 120 I CA -0.373 60.791 61.300 -0.226 0.000 1.104 120 I CB 2.187 39.999 38.000 -0.313 0.000 1.264 120 I HN 0.516 8.726 8.210 0.000 0.000 0.438 121 S N 7.016 122.699 115.700 -0.029 0.000 2.423 121 S HA 0.458 4.929 4.470 0.001 0.000 0.317 121 S C -0.076 174.567 174.600 0.072 0.000 1.065 121 S CA -0.571 57.706 58.200 0.128 0.000 1.111 121 S CB 0.484 63.761 63.200 0.129 0.000 0.968 121 S HN 0.276 8.586 8.310 0.000 0.000 0.474 122 I N 3.324 123.980 120.570 0.144 0.000 2.322 122 I HA 0.194 4.365 4.170 0.001 0.000 0.292 122 I C 0.130 176.261 176.117 0.025 0.000 1.060 122 I CA -0.582 60.821 61.300 0.171 0.000 1.309 122 I CB -0.332 37.913 38.000 0.407 0.000 1.415 122 I HN 0.558 8.768 8.210 0.000 0.000 0.492 123 C N 7.970 127.104 119.300 -0.277 0.000 2.376 123 C HA 0.751 5.212 4.460 0.001 0.000 0.335 123 C C -0.047 174.893 174.990 -0.083 0.000 1.229 123 C CA -0.592 58.153 59.018 -0.456 0.000 1.867 123 C CB 0.527 27.581 27.740 -1.143 0.000 2.319 123 C HN 0.746 8.976 8.230 0.000 0.000 0.515 124 Y N -0.415 119.960 120.300 0.125 0.000 2.615 124 Y HA 0.759 5.310 4.550 0.001 0.000 0.341 124 Y C -1.297 174.627 175.900 0.040 0.000 1.089 124 Y CA -1.813 56.445 58.100 0.264 0.000 1.049 124 Y CB 0.840 39.358 38.460 0.097 0.000 1.296 124 Y HN 0.538 8.818 8.280 0.000 0.000 0.470 125 F N 2.394 122.112 119.950 -0.387 0.000 2.415 125 F HA 0.467 4.995 4.527 0.001 0.000 0.348 125 F C -0.461 175.237 175.800 -0.169 0.000 1.119 125 F CA -0.526 57.014 58.000 -0.765 0.000 1.069 125 F CB 1.218 39.346 39.000 -1.455 0.000 1.124 125 F HN 0.598 8.898 8.300 0.000 0.000 0.472 126 E N 5.755 125.633 120.200 -0.537 0.000 2.081 126 E HA 0.097 4.448 4.350 0.001 0.000 0.281 126 E C -0.757 175.663 176.600 -0.299 0.000 0.986 126 E CA -0.447 55.876 56.400 -0.129 0.000 0.796 126 E CB 1.150 30.972 29.700 0.203 0.000 1.085 126 E HN 0.666 9.026 8.360 0.000 0.000 0.398 127 Q N 2.195 122.030 119.800 0.060 0.000 3.254 127 Q HA 0.033 4.374 4.340 0.001 0.000 0.315 127 Q C 0.106 176.115 176.000 0.015 0.000 1.405 127 Q CA 0.405 56.314 55.803 0.177 0.000 0.966 127 Q CB 0.181 29.064 28.738 0.241 0.000 1.706 127 Q HN 0.547 8.817 8.270 0.000 0.000 0.525 128 E N -0.988 119.143 120.200 -0.115 0.000 2.662 128 E HA 0.075 4.426 4.350 0.001 0.000 0.205 128 E C 0.581 177.003 176.600 -0.296 0.000 1.003 128 E CA -0.051 56.262 56.400 -0.146 0.000 1.685 128 E CB 0.528 30.168 29.700 -0.100 0.000 2.386 128 E HN 0.185 8.545 8.360 0.000 0.000 1.092 129 N N 1.174 119.544 118.700 -0.550 0.000 2.184 129 N HA 0.018 4.759 4.740 0.001 0.000 0.206 129 N C -0.735 174.194 175.510 -0.969 0.000 1.151 129 N CA 0.474 52.955 53.050 -0.949 0.000 0.878 129 N CB 0.894 38.330 38.487 -1.751 0.000 1.014 129 N HN 0.062 8.442 8.380 0.000 0.000 0.512 130 D N 0.492 120.546 120.400 -0.577 0.000 2.716 130 D HA -0.164 4.477 4.640 0.001 0.000 0.239 130 D C -0.774 175.424 176.300 -0.169 0.000 1.125 130 D CA 0.879 54.728 54.000 -0.251 0.000 0.681 130 D CB -1.104 39.641 40.800 -0.093 0.000 1.070 130 D HN 0.586 8.956 8.370 0.000 0.000 0.432 131 W N -2.210 118.589 121.300 -0.834 0.000 2.895 131 W HA 0.561 5.222 4.660 0.001 0.000 0.377 131 W C -1.206 174.813 176.519 -0.833 0.000 1.191 131 W CA -1.583 55.435 57.345 -0.545 0.000 1.179 131 W CB 0.297 29.664 29.460 -0.155 0.000 1.469 131 W HN -0.024 8.156 8.180 0.000 0.000 0.577 132 W N 2.754 123.962 121.300 -0.152 0.000 2.417 132 W HA 0.516 5.177 4.660 0.001 0.000 0.317 132 W C 0.188 176.202 176.519 -0.841 0.000 1.121 132 W CA -0.368 56.764 57.345 -0.353 0.000 1.208 132 W CB 1.470 30.916 29.460 -0.023 0.000 1.253 132 W HN 0.412 8.592 8.180 0.000 0.000 0.533 133 V N 0.890 120.337 119.914 -0.779 0.000 3.155 133 V HA 0.891 5.011 4.120 0.001 0.000 0.313 133 V C -0.287 175.373 176.094 -0.722 0.000 1.162 133 V CA -1.378 60.380 62.300 -0.903 0.000 1.048 133 V CB 1.353 32.505 31.823 -1.119 0.000 1.092 133 V HN 0.860 9.050 8.190 0.000 0.000 0.447 134 C N 0.346 119.318 119.300 -0.546 0.000 3.288 134 C HA 0.817 5.277 4.460 0.001 0.000 0.318 134 C C -0.996 173.807 174.990 -0.312 0.000 1.356 134 C CA -0.769 58.034 59.018 -0.360 0.000 1.359 134 C CB 1.264 28.854 27.740 -0.250 0.000 1.688 134 C HN 1.163 9.393 8.230 0.000 0.000 0.467 135 K N 0.434 120.725 120.400 -0.181 0.000 2.318 135 K HA 0.544 4.865 4.320 0.001 0.000 0.249 135 K C -1.006 175.644 176.600 0.083 0.000 0.942 135 K CA -0.363 55.791 56.287 -0.222 0.000 0.808 135 K CB 1.580 33.742 32.500 -0.564 0.000 1.189 135 K HN 0.831 9.081 8.250 0.000 0.000 0.428 136 H N 1.410 120.533 119.070 0.087 0.000 2.458 136 H HA 0.359 4.916 4.556 0.001 0.000 0.330 136 H C -0.412 175.006 175.328 0.150 0.000 1.111 136 H CA -0.825 55.277 56.048 0.090 0.000 1.245 136 H CB 1.449 31.206 29.762 -0.007 0.000 1.456 136 H HN 0.208 8.488 8.280 0.000 0.000 0.488 137 I N 3.296 123.903 120.570 0.063 0.000 2.312 137 I HA 0.068 4.239 4.170 0.001 0.000 0.290 137 I C 0.576 176.531 176.117 -0.271 0.000 1.008 137 I CA -0.065 61.082 61.300 -0.254 0.000 1.226 137 I CB 1.643 39.249 38.000 -0.657 0.000 1.371 137 I HN 0.626 8.836 8.210 0.000 0.000 0.468 138 K N 5.712 126.007 120.400 -0.174 0.000 2.324 138 K HA 0.264 4.585 4.320 0.001 0.000 0.222 138 K C 0.199 176.732 176.600 -0.111 0.000 1.107 138 K CA 0.432 56.634 56.287 -0.141 0.000 0.873 138 K CB 0.318 32.782 32.500 -0.060 0.000 1.270 138 K HN 0.270 8.520 8.250 0.000 0.000 0.456 139 K N 2.369 122.744 120.400 -0.042 0.000 2.401 139 K HA 0.075 4.396 4.320 0.001 0.000 0.278 139 K C -2.124 174.552 176.600 0.126 0.000 1.018 139 K CA -1.027 55.270 56.287 0.017 0.000 0.981 139 K CB 0.727 33.241 32.500 0.023 0.000 0.933 139 K HN 0.238 8.488 8.250 0.000 0.000 0.477 140 P HA 0.205 4.625 4.420 0.000 0.000 0.253 140 P C -0.483 176.823 177.300 0.009 0.000 1.863 140 P CA -0.209 62.909 63.100 0.031 0.000 1.145 140 P CB 0.023 31.723 31.700 0.000 0.000 1.666 141 I N 1.029 121.607 120.570 0.012 0.000 2.668 141 I HA 0.038 4.209 4.170 0.001 0.000 0.285 141 I C 1.475 177.550 176.117 -0.071 0.000 1.168 141 I CA 0.383 61.662 61.300 -0.035 0.000 1.424 141 I CB 0.406 38.357 38.000 -0.082 0.000 1.377 141 I HN -0.059 8.151 8.210 0.000 0.000 0.560 142 R N 3.409 123.856 120.500 -0.089 0.000 2.543 142 R HA 0.310 4.650 4.340 0.001 0.000 0.323 142 R C -0.027 176.200 176.300 -0.123 0.000 1.002 142 R CA -0.055 55.987 56.100 -0.096 0.000 1.106 142 R CB 0.852 31.100 30.300 -0.086 0.000 1.280 142 R HN 0.685 8.955 8.270 0.000 0.000 0.549 143 S N -0.995 114.621 115.700 -0.140 0.000 2.683 143 S HA 0.212 4.683 4.470 0.001 0.000 0.269 143 S C -0.956 173.548 174.600 -0.160 0.000 1.165 143 S CA -0.573 57.530 58.200 -0.161 0.000 0.840 143 S CB 1.374 64.449 63.200 -0.208 0.000 1.169 143 S HN 0.015 8.325 8.310 0.000 0.000 0.490 144 T N 1.865 116.316 114.554 -0.173 0.000 2.928 144 T HA 0.277 4.627 4.350 0.001 0.000 0.305 144 T C -0.276 174.334 174.700 -0.151 0.000 1.035 144 T CA 0.100 62.101 62.100 -0.164 0.000 1.145 144 T CB 0.249 69.010 68.868 -0.178 0.000 0.963 144 T HN 0.426 8.666 8.240 0.000 0.000 0.545 145 V N 6.111 125.944 119.914 -0.135 0.000 2.385 145 V HA 0.160 4.281 4.120 0.001 0.000 0.269 145 V C 1.181 177.217 176.094 -0.097 0.000 1.043 145 V CA -0.057 62.174 62.300 -0.116 0.000 0.906 145 V CB 0.748 32.497 31.823 -0.123 0.000 0.995 145 V HN 0.816 9.006 8.190 0.000 0.000 0.467 146 L N 3.554 124.731 121.223 -0.076 0.000 2.249 146 L HA 0.154 4.495 4.340 0.001 0.000 0.207 146 L C 0.925 177.786 176.870 -0.014 0.000 1.090 146 L CA 0.633 55.449 54.840 -0.041 0.000 0.802 146 L CB 0.173 42.227 42.059 -0.009 0.000 0.947 146 L HN 0.799 9.029 8.230 0.000 0.000 0.453 147 S N -0.825 114.865 115.700 -0.017 0.000 2.556 147 S HA 0.763 5.234 4.470 0.001 0.000 0.271 147 S C -0.942 173.639 174.600 -0.031 0.000 1.135 147 S CA -0.832 57.366 58.200 -0.003 0.000 0.858 147 S CB 2.301 65.524 63.200 0.039 0.000 1.114 147 S HN 0.001 8.311 8.310 0.000 0.000 0.468 148 L N 0.945 122.152 121.223 -0.026 0.000 2.393 148 L HA 0.814 5.155 4.340 0.001 0.000 0.260 148 L C -1.576 175.285 176.870 -0.014 0.000 1.002 148 L CA -0.596 54.200 54.840 -0.072 0.000 0.818 148 L CB 2.335 44.314 42.059 -0.134 0.000 1.369 148 L HN 0.849 9.079 8.230 0.000 0.000 0.412 149 D N 0.041 120.427 120.400 -0.024 0.000 2.931 149 D HA 0.352 4.992 4.640 0.001 0.000 0.215 149 D C -1.704 174.773 176.300 0.295 0.000 1.297 149 D CA -0.262 53.835 54.000 0.162 0.000 0.892 149 D CB 1.233 42.159 40.800 0.209 0.000 1.642 149 D HN 0.195 8.565 8.370 0.000 0.000 0.560 150 W N 2.920 124.422 121.300 0.336 0.000 2.251 150 W HA 0.283 4.943 4.660 0.001 0.000 0.329 150 W C 1.036 177.660 176.519 0.176 0.000 1.234 150 W CA -0.448 57.069 57.345 0.286 0.000 1.228 150 W CB 0.581 30.170 29.460 0.215 0.000 1.135 150 W HN 0.322 8.502 8.180 0.000 0.000 0.576 151 H N 4.841 123.893 119.070 -0.029 0.000 2.551 151 H HA 0.093 4.650 4.556 0.001 0.000 0.358 151 H C -1.378 173.871 175.328 -0.132 0.000 1.151 151 H CA -1.840 53.796 56.048 -0.687 0.000 1.374 151 H CB 1.542 30.743 29.762 -0.934 0.000 1.473 151 H HN 0.157 8.437 8.280 0.000 0.000 0.574 152 P HA -0.170 4.250 4.420 0.000 0.000 0.221 152 P C 0.490 177.879 177.300 0.149 0.000 1.145 152 P CA 1.231 64.299 63.100 -0.053 0.000 0.795 152 P CB 0.129 31.716 31.700 -0.188 0.000 0.775 153 N N -1.269 117.704 118.700 0.456 0.000 2.449 153 N HA -0.016 4.725 4.740 0.001 0.000 0.191 153 N C 0.400 175.983 175.510 0.122 0.000 1.161 153 N CA 0.051 53.231 53.050 0.217 0.000 0.863 153 N CB -0.936 37.614 38.487 0.106 0.000 0.980 153 N HN -0.173 8.207 8.380 0.000 0.000 0.458 154 S N -2.169 113.623 115.700 0.153 0.000 3.358 154 S HA -0.149 4.322 4.470 0.001 0.000 0.309 154 S C 0.694 175.395 174.600 0.168 0.000 1.247 154 S CA 0.962 59.196 58.200 0.056 0.000 0.961 154 S CB -1.563 61.593 63.200 -0.072 0.000 1.074 154 S HN 0.390 8.700 8.310 0.000 0.000 0.625 155 V N -0.770 119.279 119.914 0.225 0.000 2.948 155 V HA 0.288 4.409 4.120 0.001 0.000 0.234 155 V C 0.969 177.225 176.094 0.271 0.000 1.205 155 V CA 0.434 62.877 62.300 0.239 0.000 1.234 155 V CB 0.004 31.855 31.823 0.047 0.000 1.020 155 V HN 0.403 8.593 8.190 0.000 0.000 0.491 156 L N 1.865 123.132 121.223 0.073 0.000 2.439 156 L HA 0.330 4.671 4.340 0.001 0.000 0.269 156 L C -0.595 176.382 176.870 0.178 0.000 1.179 156 L CA 0.096 54.955 54.840 0.031 0.000 0.828 156 L CB 0.889 42.813 42.059 -0.224 0.000 1.106 156 L HN 0.195 8.425 8.230 0.000 0.000 0.467 157 L N 2.933 124.242 121.223 0.144 0.000 2.476 157 L HA 0.655 4.996 4.340 0.001 0.000 0.269 157 L C -0.437 176.503 176.870 0.117 0.000 0.965 157 L CA -0.185 54.679 54.840 0.041 0.000 0.845 157 L CB 1.583 43.414 42.059 -0.380 0.000 1.259 157 L HN 0.607 8.837 8.230 0.000 0.000 0.403 158 A N 3.954 126.857 122.820 0.137 0.000 2.310 158 A HA 0.954 5.275 4.320 0.001 0.000 0.299 158 A C -0.433 177.085 177.584 -0.110 0.000 1.147 158 A CA 0.182 52.135 52.037 -0.139 0.000 0.818 158 A CB 0.860 19.558 19.000 -0.503 0.000 1.096 158 A HN 1.325 9.475 8.150 0.000 0.000 0.495 159 A N 1.162 123.917 122.820 -0.109 0.000 2.486 159 A HA 0.804 5.125 4.320 0.001 0.000 0.300 159 A C -0.041 177.469 177.584 -0.123 0.000 1.048 159 A CA 0.007 51.999 52.037 -0.074 0.000 0.696 159 A CB 1.534 20.546 19.000 0.020 0.000 1.278 159 A HN 1.848 9.998 8.150 0.000 0.000 0.405 160 G N 0.501 109.244 108.800 -0.095 0.000 2.452 160 G HA2 0.675 4.636 3.960 0.001 0.000 0.324 160 G HA3 0.675 4.636 3.960 0.001 0.000 0.324 160 G C -0.303 174.547 174.900 -0.083 0.000 1.214 160 G CA 0.178 45.217 45.100 -0.101 0.000 0.947 160 G HN 1.625 9.915 8.290 0.000 0.000 0.478 161 S N -0.667 114.977 115.700 -0.093 0.000 2.685 161 S HA 0.298 4.768 4.470 0.001 0.000 0.282 161 S C 0.356 174.893 174.600 -0.105 0.000 1.159 161 S CA -0.626 57.510 58.200 -0.106 0.000 0.833 161 S CB 1.305 64.432 63.200 -0.122 0.000 1.151 161 S HN 0.569 8.879 8.310 0.000 0.000 0.485 162 C N 1.277 120.480 119.300 -0.161 0.000 2.539 162 C HA 0.114 4.575 4.460 0.001 0.000 0.271 162 C C 1.268 175.992 174.990 -0.443 0.000 1.412 162 C CA 0.537 59.455 59.018 -0.167 0.000 1.729 162 C CB -2.057 25.496 27.740 -0.311 0.000 1.739 162 C HN 0.957 9.187 8.230 0.000 0.000 0.570 163 D N -0.588 119.548 120.400 -0.440 0.000 2.352 163 D HA 0.044 4.684 4.640 0.001 0.000 0.236 163 D C 0.597 176.577 176.300 -0.534 0.000 1.148 163 D CA -0.523 53.111 54.000 -0.610 0.000 0.844 163 D CB -1.040 39.593 40.800 -0.278 0.000 0.933 163 D HN 0.497 8.867 8.370 0.000 0.000 0.507 164 F N -1.323 118.650 119.950 0.037 0.000 2.988 164 F HA -0.278 4.250 4.527 0.001 0.000 0.287 164 F C 0.296 176.056 175.800 -0.067 0.000 0.781 164 F CA 0.291 58.285 58.000 -0.009 0.000 1.221 164 F CB -1.623 37.358 39.000 -0.032 0.000 1.392 164 F HN 0.012 8.312 8.300 0.000 0.000 0.425 165 K N 0.188 120.570 120.400 -0.031 0.000 2.385 165 K HA 0.717 5.038 4.320 0.001 0.000 0.248 165 K C -0.589 175.808 176.600 -0.338 0.000 0.955 165 K CA -0.614 55.563 56.287 -0.183 0.000 0.816 165 K CB 2.377 34.755 32.500 -0.202 0.000 1.250 165 K HN 0.114 8.364 8.250 0.000 0.000 0.434 166 C N 2.445 121.376 119.300 -0.616 0.000 2.345 166 C HA 0.624 5.085 4.460 0.001 0.000 0.323 166 C C -0.529 174.068 174.990 -0.656 0.000 1.276 166 C CA -0.433 58.121 59.018 -0.772 0.000 1.543 166 C CB -0.106 26.654 27.740 -1.634 0.000 2.211 166 C HN 0.760 8.990 8.230 0.000 0.000 0.493 167 R N 4.484 124.696 120.500 -0.480 0.000 2.867 167 R HA 0.728 5.069 4.340 0.001 0.000 0.268 167 R C -1.362 174.656 176.300 -0.470 0.000 1.014 167 R CA -0.779 54.980 56.100 -0.569 0.000 0.946 167 R CB 1.891 31.760 30.300 -0.719 0.000 1.208 167 R HN 0.645 8.915 8.270 0.000 0.000 0.477 168 I N 2.076 122.332 120.570 -0.525 0.000 2.447 168 I HA 0.388 4.559 4.170 0.001 0.000 0.287 168 I C -1.051 174.796 176.117 -0.451 0.000 1.023 168 I CA -0.448 60.637 61.300 -0.359 0.000 1.083 168 I CB 1.206 38.988 38.000 -0.363 0.000 1.245 168 I HN 0.357 8.567 8.210 0.000 0.000 0.434 169 F N 2.877 122.749 119.950 -0.130 0.000 2.594 169 F HA 0.481 5.009 4.527 0.001 0.000 0.335 169 F C 0.539 176.272 175.800 -0.111 0.000 1.058 169 F CA -0.805 57.110 58.000 -0.142 0.000 0.981 169 F CB 1.863 40.739 39.000 -0.207 0.000 1.289 169 F HN 0.240 8.540 8.300 0.000 0.000 0.490 170 S N 0.407 116.174 115.700 0.112 0.000 2.451 170 S HA 0.717 5.188 4.470 0.001 0.000 0.301 170 S C -0.257 174.341 174.600 -0.004 0.000 1.116 170 S CA -0.309 57.936 58.200 0.075 0.000 1.093 170 S CB 1.048 64.304 63.200 0.093 0.000 1.017 170 S HN 0.778 9.088 8.310 0.000 0.000 0.482 171 A N 5.085 127.997 122.820 0.153 0.000 2.911 171 A HA 0.275 4.595 4.320 0.001 0.000 0.304 171 A C -0.170 177.728 177.584 0.524 0.000 1.144 171 A CA -0.594 51.594 52.037 0.251 0.000 0.988 171 A CB -0.456 18.749 19.000 0.342 0.000 1.141 171 A HN 0.954 9.104 8.150 0.000 0.000 0.552 172 Y N 1.527 122.012 120.300 0.308 0.000 2.677 172 Y HA 0.258 4.808 4.550 0.001 0.000 0.335 172 Y C -0.593 175.459 175.900 0.255 0.000 1.162 172 Y CA -0.274 57.973 58.100 0.245 0.000 1.483 172 Y CB 0.254 38.816 38.460 0.170 0.000 1.209 172 Y HN 0.249 8.529 8.280 0.000 0.000 0.528 173 I N 8.828 129.569 120.570 0.284 0.000 2.428 173 I HA 0.051 4.222 4.170 0.001 0.000 0.279 173 I C 0.762 176.776 176.117 -0.172 0.000 1.040 173 I CA -0.645 60.571 61.300 -0.140 0.000 1.171 173 I CB 1.373 39.232 38.000 -0.234 0.000 1.312 173 I HN 0.739 8.949 8.210 0.000 0.000 0.470 174 K N 4.486 124.652 120.400 -0.390 0.000 2.360 174 K HA -0.113 4.207 4.320 0.001 0.000 0.201 174 K C 0.642 177.171 176.600 -0.119 0.000 1.046 174 K CA 1.046 57.245 56.287 -0.146 0.000 0.940 174 K CB 0.233 32.582 32.500 -0.252 0.000 0.748 174 K HN 0.436 8.686 8.250 0.000 0.000 0.465 175 E N 1.473 121.518 120.200 -0.258 0.000 2.478 175 E HA -0.075 4.276 4.350 0.001 0.000 0.198 175 E C 1.670 178.183 176.600 -0.144 0.000 1.046 175 E CA 1.122 57.394 56.400 -0.213 0.000 0.870 175 E CB 0.150 29.668 29.700 -0.305 0.000 0.818 175 E HN 0.488 8.848 8.360 0.000 0.000 0.527 176 V N -2.567 117.272 119.914 -0.124 0.000 3.440 176 V HA 0.300 4.421 4.120 0.001 0.000 0.301 176 V C 0.059 176.170 176.094 0.028 0.000 1.555 176 V CA -0.073 62.211 62.300 -0.028 0.000 1.095 176 V CB -0.225 31.589 31.823 -0.015 0.000 0.936 176 V HN 0.209 8.399 8.190 0.000 0.000 0.452 177 E N 0.673 120.908 120.200 0.058 0.000 2.402 177 E HA 0.540 4.891 4.350 0.001 0.000 0.270 177 E C -1.673 175.018 176.600 0.151 0.000 1.131 177 E CA -0.701 55.751 56.400 0.087 0.000 0.884 177 E CB 1.252 31.003 29.700 0.086 0.000 1.564 177 E HN 0.465 8.825 8.360 0.000 0.000 0.456 178 E N 0.266 120.521 120.200 0.092 0.000 2.446 178 E HA 0.477 4.828 4.350 0.001 0.000 0.276 178 E C -0.890 175.607 176.600 -0.172 0.000 0.969 178 E CA -1.252 55.203 56.400 0.092 0.000 0.800 178 E CB 1.467 31.212 29.700 0.076 0.000 1.341 178 E HN 0.414 8.774 8.360 0.000 0.000 0.460 179 R N 1.233 121.604 120.500 -0.215 0.000 3.411 179 R HA -0.048 4.293 4.340 0.001 0.000 0.241 179 R C -2.003 174.128 176.300 -0.282 0.000 0.689 179 R CA -0.132 55.747 56.100 -0.368 0.000 1.022 179 R CB -0.934 29.311 30.300 -0.091 0.000 0.958 179 R HN 0.302 8.572 8.270 0.000 0.000 0.361 180 P HA 0.069 4.489 4.420 0.000 0.000 0.274 180 P C -0.771 176.459 177.300 -0.117 0.000 1.231 180 P CA -0.270 62.711 63.100 -0.198 0.000 0.790 180 P CB 0.873 32.447 31.700 -0.211 0.000 0.951 181 A N 3.484 126.263 122.820 -0.068 0.000 2.407 181 A HA 0.397 4.718 4.320 0.001 0.000 0.248 181 A C -2.007 175.559 177.584 -0.030 0.000 1.082 181 A CA -0.979 51.037 52.037 -0.036 0.000 0.785 181 A CB -1.350 17.642 19.000 -0.014 0.000 1.020 181 A HN 0.434 8.584 8.150 0.000 0.000 0.489 182 P HA 0.202 4.622 4.420 0.000 0.000 0.267 182 P C -0.126 177.178 177.300 0.007 0.000 1.201 182 P CA 0.481 63.579 63.100 -0.003 0.000 0.775 182 P CB 0.557 32.259 31.700 0.003 0.000 0.854 183 T N 2.433 117.001 114.554 0.022 0.000 2.906 183 T HA 0.347 4.697 4.350 0.001 0.000 0.295 183 T C -1.902 172.810 174.700 0.021 0.000 1.061 183 T CA -1.475 60.653 62.100 0.046 0.000 1.000 183 T CB 1.371 70.287 68.868 0.082 0.000 1.103 183 T HN 0.126 8.366 8.240 0.000 0.000 0.486 184 P HA -0.007 4.413 4.420 0.000 0.000 0.223 184 P C 0.506 177.667 177.300 -0.231 0.000 1.144 184 P CA 0.899 63.887 63.100 -0.186 0.000 0.783 184 P CB 0.076 31.592 31.700 -0.307 0.000 0.771 185 W N -0.120 121.200 121.300 0.033 0.000 2.678 185 W HA 0.278 4.939 4.660 0.001 0.000 0.256 185 W C 1.018 177.556 176.519 0.031 0.000 1.280 185 W CA 0.901 58.270 57.345 0.039 0.000 1.345 185 W CB 0.133 29.630 29.460 0.060 0.000 1.118 185 W HN -0.067 8.113 8.180 0.000 0.000 0.629 186 G N -1.057 107.855 108.800 0.187 0.000 2.337 186 G HA2 0.104 4.065 3.960 0.001 0.000 0.310 186 G HA3 0.104 4.065 3.960 0.001 0.000 0.310 186 G C 0.191 175.140 174.900 0.082 0.000 1.534 186 G CA -0.188 44.986 45.100 0.123 0.000 0.982 186 G HN -0.070 8.220 8.290 0.000 0.000 0.672 187 S N -0.855 114.879 115.700 0.057 0.000 2.483 187 S HA 0.258 4.729 4.470 0.001 0.000 0.221 187 S C 0.673 175.296 174.600 0.039 0.000 1.030 187 S CA 0.407 58.629 58.200 0.037 0.000 0.925 187 S CB 0.247 63.464 63.200 0.028 0.000 0.795 187 S HN 0.432 8.742 8.310 0.000 0.000 0.511 188 K N 1.712 122.144 120.400 0.052 0.000 2.262 188 K HA 0.441 4.762 4.320 0.001 0.000 0.282 188 K C -0.779 175.865 176.600 0.074 0.000 1.066 188 K CA 0.162 56.486 56.287 0.061 0.000 0.901 188 K CB 1.069 33.606 32.500 0.062 0.000 1.089 188 K HN 0.399 8.649 8.250 0.000 0.000 0.476 189 M N 4.843 124.496 119.600 0.087 0.000 3.124 189 M HA 0.169 4.650 4.480 0.001 0.000 0.298 189 M C -2.302 174.126 176.300 0.214 0.000 1.403 189 M CA -1.483 53.884 55.300 0.111 0.000 0.651 189 M CB 1.425 34.061 32.600 0.059 0.000 1.412 189 M HN 0.105 8.395 8.290 0.000 0.000 0.477 190 P HA 0.038 4.458 4.420 0.000 0.000 0.274 190 P C -0.256 177.180 177.300 0.226 0.000 1.231 190 P CA -0.251 62.997 63.100 0.246 0.000 0.790 190 P CB 0.629 32.425 31.700 0.161 0.000 0.951 191 F N 2.227 122.243 119.950 0.109 0.000 2.579 191 F HA 0.143 4.671 4.527 0.001 0.000 0.397 191 F C 1.573 177.420 175.800 0.078 0.000 1.027 191 F CA 2.207 60.255 58.000 0.081 0.000 1.217 191 F CB -0.443 38.550 39.000 -0.012 0.000 0.986 191 F HN 0.760 9.060 8.300 0.000 0.000 0.551 192 G N 3.468 111.793 108.800 -0.791 0.000 2.179 192 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 192 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 192 G C 0.152 175.029 174.900 -0.038 0.000 0.977 192 G CA 0.233 45.038 45.100 -0.491 0.000 0.641 192 G HN 0.894 9.184 8.290 0.000 0.000 0.533 193 E N 0.332 120.539 120.200 0.012 0.000 2.417 193 E HA 0.376 4.727 4.350 0.001 0.000 0.261 193 E C 0.471 177.115 176.600 0.073 0.000 1.000 193 E CA -0.523 55.915 56.400 0.063 0.000 0.919 193 E CB 0.373 30.112 29.700 0.065 0.000 0.955 193 E HN 0.545 8.905 8.360 0.000 0.000 0.455 194 L N 6.179 127.413 121.223 0.019 0.000 2.325 194 L HA 0.103 4.444 4.340 0.001 0.000 0.284 194 L C 0.508 177.294 176.870 -0.139 0.000 1.089 194 L CA 0.227 54.956 54.840 -0.184 0.000 0.836 194 L CB 0.477 42.413 42.059 -0.206 0.000 1.184 194 L HN 0.755 8.985 8.230 0.000 0.000 0.444 195 M N 5.094 124.601 119.600 -0.154 0.000 2.287 195 M HA 0.172 4.653 4.480 0.001 0.000 0.266 195 M C 0.080 176.436 176.300 0.094 0.000 1.079 195 M CA 0.937 56.239 55.300 0.003 0.000 1.146 195 M CB -0.567 32.049 32.600 0.027 0.000 1.374 195 M HN 0.569 8.859 8.290 0.000 0.000 0.435 196 F N -0.024 119.780 119.950 -0.245 0.000 2.628 196 F HA 0.506 5.034 4.527 0.001 0.000 0.309 196 F C -1.482 174.128 175.800 -0.317 0.000 1.108 196 F CA -1.107 56.778 58.000 -0.192 0.000 0.971 196 F CB 1.500 40.414 39.000 -0.142 0.000 1.279 196 F HN -0.001 8.299 8.300 0.000 0.000 0.441 197 E N 3.403 122.725 120.200 -1.464 0.000 2.260 197 E HA 0.424 4.775 4.350 0.001 0.000 0.266 197 E C -1.165 174.581 176.600 -1.423 0.000 0.887 197 E CA -0.761 54.882 56.400 -1.261 0.000 0.777 197 E CB 1.772 31.099 29.700 -0.622 0.000 1.205 197 E HN 0.757 9.117 8.360 0.000 0.000 0.414 198 S N 2.178 117.165 115.700 -1.188 0.000 2.576 198 S HA 0.097 4.568 4.470 0.001 0.000 0.272 198 S C 0.307 174.783 174.600 -0.205 0.000 1.352 198 S CA -0.456 57.465 58.200 -0.464 0.000 1.021 198 S CB 1.008 63.988 63.200 -0.366 0.000 0.887 198 S HN 0.464 8.774 8.310 0.000 0.000 0.542 199 S N 0.242 115.954 115.700 0.021 0.000 2.468 199 S HA 0.560 5.031 4.470 0.001 0.000 0.190 199 S C -0.437 174.199 174.600 0.060 0.000 1.445 199 S CA -0.579 57.633 58.200 0.019 0.000 1.084 199 S CB -0.146 63.079 63.200 0.043 0.000 1.175 199 S HN 0.831 9.141 8.310 0.000 0.000 0.484 200 S N 1.056 116.786 115.700 0.049 0.000 2.546 200 S HA 0.582 5.052 4.470 0.001 0.000 0.272 200 S C -0.166 174.452 174.600 0.029 0.000 1.140 200 S CA -0.475 57.754 58.200 0.048 0.000 0.920 200 S CB 1.970 65.235 63.200 0.108 0.000 1.083 200 S HN 0.530 8.840 8.310 0.000 0.000 0.476 201 S N 2.801 118.477 115.700 -0.041 0.000 2.588 201 S HA 0.414 4.884 4.470 0.001 0.000 0.245 201 S C -0.127 174.207 174.600 -0.443 0.000 1.021 201 S CA -0.059 58.100 58.200 -0.068 0.000 1.006 201 S CB -1.451 61.718 63.200 -0.052 0.000 0.830 201 S HN 1.033 9.343 8.310 0.000 0.000 0.468 202 C N -1.245 117.756 119.300 -0.499 0.000 3.090 202 C HA 0.894 5.355 4.460 0.001 0.000 0.347 202 C C 0.161 174.871 174.990 -0.467 0.000 1.147 202 C CA -0.240 58.247 59.018 -0.885 0.000 1.305 202 C CB 0.551 27.966 27.740 -0.541 0.000 1.692 202 C HN 0.936 9.166 8.230 0.000 0.000 0.506 203 G N 2.305 110.805 108.800 -0.499 0.000 3.439 203 G HA2 0.044 4.005 3.960 0.001 0.000 0.686 203 G HA3 0.044 4.005 3.960 0.001 0.000 0.686 203 G C -0.655 174.343 174.900 0.164 0.000 1.075 203 G CA -0.403 44.605 45.100 -0.153 0.000 0.926 203 G HN 1.188 9.478 8.290 0.000 0.000 0.485 204 W N 2.197 123.644 121.300 0.245 0.000 2.264 204 W HA 0.366 5.027 4.660 0.001 0.000 0.331 204 W C 0.684 177.093 176.519 -0.183 0.000 1.364 204 W CA -0.704 56.627 57.345 -0.022 0.000 1.253 204 W CB 0.572 29.886 29.460 -0.243 0.000 1.215 204 W HN 0.457 8.637 8.180 0.000 0.000 0.561 205 V N 5.791 125.759 119.914 0.089 0.000 2.313 205 V HA -0.057 4.064 4.120 0.001 0.000 0.252 205 V C 1.495 177.611 176.094 0.037 0.000 1.112 205 V CA -0.232 62.117 62.300 0.082 0.000 0.984 205 V CB -0.371 31.482 31.823 0.049 0.000 1.157 205 V HN 0.560 8.750 8.190 0.000 0.000 0.493 206 H N 3.270 122.474 119.070 0.224 0.000 2.423 206 H HA 0.074 4.631 4.556 0.001 0.000 0.297 206 H C 1.208 176.601 175.328 0.107 0.000 1.075 206 H CA 1.206 57.353 56.048 0.165 0.000 1.342 206 H CB 0.551 30.425 29.762 0.186 0.000 1.395 206 H HN 0.664 8.944 8.280 0.000 0.000 0.530 207 G N -0.187 108.750 108.800 0.229 0.000 2.696 207 G HA2 0.494 4.455 3.960 0.001 0.000 0.295 207 G HA3 0.494 4.455 3.960 0.001 0.000 0.295 207 G C -1.047 173.948 174.900 0.159 0.000 1.398 207 G CA -0.162 45.032 45.100 0.158 0.000 0.920 207 G HN 0.206 8.496 8.290 0.000 0.000 0.492 208 V N -2.665 117.318 119.914 0.115 0.000 3.078 208 V HA 0.907 5.027 4.120 0.001 0.000 0.311 208 V C -0.733 175.420 176.094 0.098 0.000 1.138 208 V CA -1.203 61.161 62.300 0.107 0.000 1.007 208 V CB 1.388 33.210 31.823 -0.001 0.000 1.045 208 V HN 1.389 9.579 8.190 0.000 0.000 0.432 209 C N 2.810 122.173 119.300 0.104 0.000 3.046 209 C HA 0.702 5.163 4.460 0.001 0.000 0.388 209 C C -1.009 174.122 174.990 0.234 0.000 1.041 209 C CA -0.484 58.653 59.018 0.200 0.000 1.241 209 C CB 0.639 28.549 27.740 0.284 0.000 1.638 209 C HN 0.916 9.146 8.230 0.000 0.000 0.539 210 F N 3.638 123.712 119.950 0.206 0.000 2.379 210 F HA 0.529 5.057 4.527 0.001 0.000 0.332 210 F C 1.287 176.964 175.800 -0.205 0.000 1.096 210 F CA 0.220 58.245 58.000 0.041 0.000 1.105 210 F CB 1.740 40.754 39.000 0.023 0.000 1.189 210 F HN 0.753 9.053 8.300 0.000 0.000 0.515 211 S N 1.785 117.207 115.700 -0.465 0.000 2.655 211 S HA 0.463 4.934 4.470 0.001 0.000 0.265 211 S C 1.053 175.485 174.600 -0.281 0.000 1.240 211 S CA -0.341 57.310 58.200 -0.915 0.000 0.986 211 S CB 1.201 63.661 63.200 -1.234 0.000 0.985 211 S HN 0.800 9.110 8.310 0.000 0.000 0.562 212 A N 1.820 124.526 122.820 -0.189 0.000 1.883 212 A HA -0.188 4.133 4.320 0.001 0.000 0.217 212 A C 2.110 179.624 177.584 -0.117 0.000 1.186 212 A CA 1.946 53.931 52.037 -0.085 0.000 0.624 212 A CB -1.337 17.647 19.000 -0.026 0.000 0.822 212 A HN 0.981 9.131 8.150 0.000 0.000 0.444 213 N N -1.297 117.330 118.700 -0.120 0.000 2.446 213 N HA 0.158 4.899 4.740 0.001 0.000 0.179 213 N C 1.177 176.584 175.510 -0.172 0.000 1.054 213 N CA 1.643 54.630 53.050 -0.106 0.000 0.905 213 N CB -0.361 38.094 38.487 -0.052 0.000 0.973 213 N HN 0.974 9.354 8.380 0.000 0.000 0.448 214 G N -0.136 108.546 108.800 -0.198 0.000 2.175 214 G HA2 -0.342 3.618 3.960 0.001 0.000 0.244 214 G HA3 -0.342 3.618 3.960 0.001 0.000 0.244 214 G C 0.942 176.022 174.900 0.300 0.000 0.982 214 G CA 0.774 45.749 45.100 -0.208 0.000 0.641 214 G HN 0.705 8.995 8.290 0.000 0.000 0.527 215 S N -0.705 115.080 115.700 0.143 0.000 2.522 215 S HA 0.329 4.799 4.470 0.001 0.000 0.227 215 S C 1.007 175.685 174.600 0.129 0.000 0.986 215 S CA 0.776 59.009 58.200 0.055 0.000 0.929 215 S CB 0.317 63.477 63.200 -0.067 0.000 0.769 215 S HN 0.671 8.981 8.310 0.000 0.000 0.529 216 R N -0.160 120.473 120.500 0.221 0.000 2.750 216 R HA 0.771 5.112 4.340 0.001 0.000 0.281 216 R C -1.801 174.678 176.300 0.299 0.000 0.972 216 R CA -0.632 55.603 56.100 0.225 0.000 0.912 216 R CB 2.382 32.710 30.300 0.047 0.000 1.187 216 R HN 0.127 8.397 8.270 0.000 0.000 0.464 217 V N 1.303 121.415 119.914 0.331 0.000 2.760 217 V HA 0.844 4.965 4.120 0.001 0.000 0.309 217 V C -1.303 174.984 176.094 0.322 0.000 1.077 217 V CA -0.378 62.015 62.300 0.155 0.000 0.910 217 V CB 1.826 33.474 31.823 -0.292 0.000 1.008 217 V HN 0.949 9.139 8.190 0.000 0.000 0.424 218 A N 5.674 128.705 122.820 0.352 0.000 2.423 218 A HA 1.067 5.387 4.320 0.001 0.000 0.304 218 A C -1.442 176.303 177.584 0.269 0.000 1.104 218 A CA -0.493 51.629 52.037 0.141 0.000 0.757 218 A CB 1.591 20.487 19.000 -0.175 0.000 1.313 218 A HN 1.763 9.913 8.150 0.000 0.000 0.423 219 W N -0.011 121.239 121.300 -0.085 0.000 3.213 219 W HA 0.619 5.280 4.660 0.001 0.000 0.318 219 W C -1.532 174.946 176.519 -0.067 0.000 1.248 219 W CA -1.042 56.268 57.345 -0.058 0.000 1.187 219 W CB 0.804 30.242 29.460 -0.035 0.000 1.403 219 W HN 0.868 9.048 8.180 0.000 0.000 0.556 220 V N 0.455 120.467 119.914 0.162 0.000 2.555 220 V HA 0.873 4.994 4.120 0.001 0.000 0.302 220 V C -0.436 175.789 176.094 0.220 0.000 1.038 220 V CA -0.680 61.662 62.300 0.069 0.000 0.887 220 V CB 1.007 32.859 31.823 0.049 0.000 0.991 220 V HN 0.694 8.884 8.190 0.000 0.000 0.434 221 S N 1.135 116.937 115.700 0.171 0.000 2.638 221 S HA 0.469 4.940 4.470 0.001 0.000 0.302 221 S C 0.393 175.123 174.600 0.216 0.000 1.096 221 S CA -0.407 57.919 58.200 0.208 0.000 0.953 221 S CB 1.490 64.798 63.200 0.181 0.000 1.107 221 S HN 0.996 9.306 8.310 0.000 0.000 0.503 222 H N 1.456 120.599 119.070 0.122 0.000 2.543 222 H HA -0.043 4.514 4.556 0.001 0.000 0.286 222 H C 0.893 176.198 175.328 -0.039 0.000 1.037 222 H CA 1.516 57.646 56.048 0.137 0.000 1.250 222 H CB 0.057 29.828 29.762 0.015 0.000 1.373 222 H HN 0.564 8.844 8.280 0.000 0.000 0.580 223 D N -1.094 119.271 120.400 -0.058 0.000 2.413 223 D HA 0.006 4.647 4.640 0.001 0.000 0.237 223 D C -0.009 176.225 176.300 -0.110 0.000 1.171 223 D CA 0.228 54.157 54.000 -0.118 0.000 0.839 223 D CB -0.580 40.143 40.800 -0.128 0.000 0.950 223 D HN 0.020 8.390 8.370 0.000 0.000 0.499 224 S N -0.636 114.998 115.700 -0.110 0.000 3.628 224 S HA -0.149 4.322 4.470 0.001 0.000 0.373 224 S C 0.110 174.649 174.600 -0.102 0.000 0.968 224 S CA 1.010 59.150 58.200 -0.100 0.000 1.215 224 S CB -1.920 61.216 63.200 -0.107 0.000 0.912 224 S HN 0.878 9.188 8.310 0.000 0.000 0.495 225 T N -2.705 111.781 114.554 -0.114 0.000 2.903 225 T HA 0.773 5.124 4.350 0.001 0.000 0.299 225 T C -0.531 174.008 174.700 -0.269 0.000 1.093 225 T CA -0.572 61.421 62.100 -0.178 0.000 1.002 225 T CB 2.196 70.973 68.868 -0.153 0.000 1.127 225 T HN 0.418 8.658 8.240 0.000 0.000 0.488 226 V N 0.966 120.622 119.914 -0.430 0.000 2.680 226 V HA 0.769 4.889 4.120 0.001 0.000 0.309 226 V C -0.940 174.773 176.094 -0.635 0.000 1.052 226 V CA -0.435 61.512 62.300 -0.589 0.000 0.908 226 V CB 0.999 32.245 31.823 -0.961 0.000 1.001 226 V HN 1.332 9.522 8.190 0.000 0.000 0.431 227 C N 5.654 124.438 119.300 -0.859 0.000 2.889 227 C HA 0.766 5.227 4.460 0.001 0.000 0.307 227 C C -0.623 173.761 174.990 -1.010 0.000 1.251 227 C CA -0.968 57.413 59.018 -1.061 0.000 1.593 227 C CB 1.453 28.153 27.740 -1.734 0.000 2.104 227 C HN 0.995 9.225 8.230 0.000 0.000 0.476 228 L N 1.900 122.687 121.223 -0.726 0.000 2.505 228 L HA 0.760 5.101 4.340 0.001 0.000 0.266 228 L C -0.631 176.097 176.870 -0.237 0.000 0.954 228 L CA -0.028 54.556 54.840 -0.426 0.000 0.852 228 L CB 1.326 43.111 42.059 -0.456 0.000 1.282 228 L HN 0.872 9.102 8.230 0.000 0.000 0.403 229 A N 2.989 125.829 122.820 0.033 0.000 2.288 229 A HA 0.538 4.858 4.320 0.001 0.000 0.320 229 A C -1.113 176.499 177.584 0.046 0.000 1.217 229 A CA -0.493 51.591 52.037 0.077 0.000 0.840 229 A CB 0.953 19.971 19.000 0.030 0.000 1.179 229 A HN 0.678 8.828 8.150 0.000 0.000 0.504 230 D N 2.786 123.161 120.400 -0.042 0.000 2.392 230 D HA 0.502 5.143 4.640 0.001 0.000 0.228 230 D C 0.949 177.092 176.300 -0.261 0.000 1.074 230 D CA 0.267 54.216 54.000 -0.085 0.000 0.838 230 D CB 1.725 42.553 40.800 0.048 0.000 1.067 230 D HN 0.458 8.828 8.370 0.000 0.000 0.511 231 A N 3.650 126.108 122.820 -0.603 0.000 2.066 231 A HA -0.090 4.230 4.320 0.001 0.000 0.218 231 A C 1.418 178.728 177.584 -0.457 0.000 1.157 231 A CA 0.705 52.190 52.037 -0.920 0.000 0.670 231 A CB 0.117 17.926 19.000 -1.984 0.000 0.804 231 A HN 0.471 8.621 8.150 0.000 0.000 0.453 232 D N 0.004 120.233 120.400 -0.284 0.000 2.352 232 D HA 0.039 4.680 4.640 0.001 0.000 0.232 232 D C 0.173 176.417 176.300 -0.094 0.000 1.055 232 D CA 0.728 54.635 54.000 -0.155 0.000 0.891 232 D CB 0.076 40.824 40.800 -0.087 0.000 0.897 232 D HN 0.470 8.840 8.370 0.000 0.000 0.529 233 K N 0.788 121.130 120.400 -0.098 0.000 3.309 233 K HA 0.118 4.438 4.320 0.001 0.000 0.187 233 K C -0.019 176.559 176.600 -0.036 0.000 1.085 233 K CA -0.465 55.799 56.287 -0.038 0.000 0.867 233 K CB 1.103 33.612 32.500 0.015 0.000 0.846 233 K HN -0.296 7.954 8.250 0.000 0.000 0.522 234 K N 0.418 120.783 120.400 -0.058 0.000 3.274 234 K HA -0.241 4.079 4.320 0.001 0.000 0.305 234 K C 0.222 176.822 176.600 0.000 0.000 1.225 234 K CA 1.249 57.523 56.287 -0.022 0.000 0.904 234 K CB -1.681 30.826 32.500 0.011 0.000 1.227 234 K HN 0.788 9.038 8.250 0.000 0.000 0.453 235 M N -3.260 116.302 119.600 -0.064 0.000 2.936 235 M HA -0.223 4.258 4.480 0.001 0.000 0.216 235 M C 0.276 176.616 176.300 0.067 0.000 0.544 235 M CA 1.035 56.317 55.300 -0.031 0.000 0.774 235 M CB -1.742 30.924 32.600 0.111 0.000 2.799 235 M HN 0.364 8.654 8.290 0.000 0.000 0.474 236 A N 0.678 123.531 122.820 0.055 0.000 2.498 236 A HA 0.517 4.838 4.320 0.001 0.000 0.239 236 A C 0.310 177.954 177.584 0.101 0.000 1.068 236 A CA -0.074 52.019 52.037 0.093 0.000 0.766 236 A CB 0.431 19.478 19.000 0.079 0.000 1.003 236 A HN 0.285 8.435 8.150 0.000 0.000 0.497 237 V N 2.174 122.167 119.914 0.132 0.000 2.398 237 V HA 0.564 4.685 4.120 0.001 0.000 0.286 237 V C 0.661 176.780 176.094 0.042 0.000 1.026 237 V CA -0.160 62.208 62.300 0.113 0.000 0.868 237 V CB 1.100 33.071 31.823 0.247 0.000 0.982 237 V HN 1.147 9.337 8.190 0.000 0.000 0.443 238 A N 3.967 126.771 122.820 -0.027 0.000 2.310 238 A HA 0.835 5.156 4.320 0.001 0.000 0.299 238 A C 0.129 177.639 177.584 -0.124 0.000 1.147 238 A CA -0.301 51.728 52.037 -0.013 0.000 0.818 238 A CB 0.795 19.843 19.000 0.080 0.000 1.096 238 A HN 0.748 8.898 8.150 0.000 0.000 0.495 239 T N 1.667 116.166 114.554 -0.092 0.000 2.893 239 T HA 0.567 4.918 4.350 0.001 0.000 0.293 239 T C -1.330 173.299 174.700 -0.119 0.000 1.027 239 T CA -0.253 61.758 62.100 -0.148 0.000 0.988 239 T CB 1.290 70.098 68.868 -0.101 0.000 1.043 239 T HN 0.680 8.920 8.240 0.000 0.000 0.461 240 L N 2.855 123.975 121.223 -0.173 0.000 2.439 240 L HA 0.833 5.173 4.340 0.001 0.000 0.270 240 L C -0.544 176.242 176.870 -0.139 0.000 0.972 240 L CA -0.532 54.235 54.840 -0.122 0.000 0.836 240 L CB 1.133 43.128 42.059 -0.107 0.000 1.255 240 L HN 0.808 9.038 8.230 0.000 0.000 0.404 241 A N 3.183 125.951 122.820 -0.088 0.000 2.316 241 A HA 0.751 5.072 4.320 0.001 0.000 0.284 241 A C -0.088 177.452 177.584 -0.075 0.000 1.115 241 A CA -0.103 51.880 52.037 -0.089 0.000 0.812 241 A CB 0.876 19.833 19.000 -0.072 0.000 1.064 241 A HN 0.781 8.931 8.150 0.000 0.000 0.489 242 S N -0.014 115.636 115.700 -0.082 0.000 2.638 242 S HA 0.367 4.838 4.470 0.001 0.000 0.298 242 S C 0.506 175.044 174.600 -0.102 0.000 1.111 242 S CA -0.457 57.691 58.200 -0.086 0.000 1.027 242 S CB 1.090 64.263 63.200 -0.044 0.000 1.064 242 S HN 0.680 8.990 8.310 0.000 0.000 0.525 243 E N 0.607 120.725 120.200 -0.137 0.000 2.474 243 E HA 0.093 4.444 4.350 0.001 0.000 0.194 243 E C 0.639 177.189 176.600 -0.083 0.000 1.041 243 E CA 0.326 56.662 56.400 -0.108 0.000 0.874 243 E CB 0.406 30.032 29.700 -0.123 0.000 0.914 243 E HN 0.789 9.149 8.360 0.000 0.000 0.498 244 T N -2.373 112.131 114.554 -0.083 0.000 2.844 244 T HA 0.441 4.792 4.350 0.001 0.000 0.274 244 T C 0.453 175.113 174.700 -0.067 0.000 0.991 244 T CA -0.889 61.178 62.100 -0.056 0.000 0.983 244 T CB 0.658 69.507 68.868 -0.032 0.000 1.310 244 T HN -0.130 8.110 8.240 0.000 0.000 0.596 245 L N 1.327 122.510 121.223 -0.066 0.000 2.479 245 L HA 0.282 4.623 4.340 0.001 0.000 0.270 245 L C -2.100 174.725 176.870 -0.074 0.000 1.236 245 L CA -1.806 52.991 54.840 -0.072 0.000 0.823 245 L CB -0.313 41.725 42.059 -0.034 0.000 1.098 245 L HN 0.497 8.727 8.230 0.000 0.000 0.500 246 P HA 0.090 4.510 4.420 0.000 0.000 0.268 246 P C -0.756 176.538 177.300 -0.009 0.000 1.204 246 P CA 0.054 63.105 63.100 -0.082 0.000 0.768 246 P CB 0.447 31.977 31.700 -0.283 0.000 0.842 247 L N 3.453 124.680 121.223 0.006 0.000 2.375 247 L HA 0.257 4.598 4.340 0.001 0.000 0.271 247 L C 1.443 178.315 176.870 0.004 0.000 1.107 247 L CA -0.218 54.617 54.840 -0.008 0.000 0.806 247 L CB 0.527 42.601 42.059 0.026 0.000 1.146 247 L HN 0.380 8.610 8.230 0.000 0.000 0.447 248 L N 2.066 123.241 121.223 -0.080 0.000 2.672 248 L HA 0.434 4.775 4.340 0.001 0.000 0.236 248 L C 0.446 177.336 176.870 0.033 0.000 1.092 248 L CA 0.077 54.863 54.840 -0.090 0.000 0.887 248 L CB 0.460 42.365 42.059 -0.257 0.000 1.168 248 L HN 0.690 8.920 8.230 0.000 0.000 0.502 249 A N -0.187 122.646 122.820 0.022 0.000 2.539 249 A HA 0.761 5.082 4.320 0.001 0.000 0.296 249 A C -1.541 176.064 177.584 0.035 0.000 1.073 249 A CA -0.432 51.633 52.037 0.048 0.000 0.700 249 A CB 2.583 21.611 19.000 0.047 0.000 1.296 249 A HN -0.187 7.963 8.150 0.000 0.000 0.405 250 V N -0.066 119.872 119.914 0.040 0.000 3.204 250 V HA 0.899 5.020 4.120 0.001 0.000 0.298 250 V C -0.993 175.111 176.094 0.016 0.000 1.328 250 V CA 0.620 62.919 62.300 -0.001 0.000 1.035 250 V CB 2.286 34.094 31.823 -0.026 0.000 1.095 250 V HN 1.809 9.999 8.190 0.000 0.000 0.442 251 T N 3.861 118.392 114.554 -0.039 0.000 2.957 251 T HA 0.594 4.945 4.350 0.001 0.000 0.336 251 T C -1.439 173.254 174.700 -0.012 0.000 1.462 251 T CA -0.258 61.870 62.100 0.047 0.000 1.073 251 T CB 0.892 69.802 68.868 0.070 0.000 1.319 251 T HN 0.490 8.730 8.240 0.000 0.000 0.485 252 F N 3.463 123.431 119.950 0.029 0.000 2.410 252 F HA 0.452 4.980 4.527 0.001 0.000 0.334 252 F C 1.680 177.488 175.800 0.014 0.000 1.134 252 F CA -0.352 57.665 58.000 0.028 0.000 1.227 252 F CB 0.819 39.856 39.000 0.060 0.000 1.194 252 F HN 0.580 8.880 8.300 0.000 0.000 0.571 253 I N -2.219 118.457 120.570 0.177 0.000 4.526 253 I HA 0.315 4.485 4.170 0.001 0.000 0.330 253 I C 0.050 176.251 176.117 0.141 0.000 1.323 253 I CA 0.040 61.409 61.300 0.115 0.000 1.218 253 I CB 0.501 38.517 38.000 0.026 0.000 1.233 253 I HN 0.541 8.751 8.210 0.000 0.000 0.430 254 T N -3.364 111.303 114.554 0.188 0.000 2.731 254 T HA 0.341 4.692 4.350 0.001 0.000 0.300 254 T C 0.325 175.174 174.700 0.249 0.000 1.283 254 T CA -0.458 61.742 62.100 0.166 0.000 1.005 254 T CB 1.932 70.876 68.868 0.127 0.000 1.420 254 T HN -0.072 8.168 8.240 0.000 0.000 0.503 255 E N 0.433 120.742 120.200 0.182 0.000 2.268 255 E HA 0.050 4.401 4.350 0.001 0.000 0.195 255 E C 1.212 178.020 176.600 0.347 0.000 0.995 255 E CA 0.938 57.451 56.400 0.188 0.000 0.836 255 E CB -0.091 29.670 29.700 0.102 0.000 0.763 255 E HN 0.598 8.958 8.360 0.000 0.000 0.491 256 S N -0.413 115.469 115.700 0.303 0.000 2.749 256 S HA 0.218 4.689 4.470 0.001 0.000 0.246 256 S C -0.029 174.704 174.600 0.222 0.000 1.023 256 S CA -0.279 58.112 58.200 0.319 0.000 1.012 256 S CB 0.929 64.265 63.200 0.226 0.000 0.942 256 S HN -0.107 8.203 8.310 0.000 0.000 0.531 257 S N 1.500 117.308 115.700 0.180 0.000 2.526 257 S HA 0.708 5.179 4.470 0.001 0.000 0.293 257 S C -0.862 173.693 174.600 -0.076 0.000 1.092 257 S CA -0.616 57.614 58.200 0.050 0.000 0.980 257 S CB 1.515 64.740 63.200 0.042 0.000 1.048 257 S HN 0.238 8.548 8.310 0.000 0.000 0.483 258 L N 1.990 123.130 121.223 -0.138 0.000 2.341 258 L HA 0.805 5.146 4.340 0.001 0.000 0.267 258 L C -1.142 175.648 176.870 -0.134 0.000 1.009 258 L CA -1.024 53.682 54.840 -0.223 0.000 0.819 258 L CB 1.964 43.857 42.059 -0.277 0.000 1.323 258 L HN 0.317 8.547 8.230 0.000 0.000 0.425 259 V N 1.198 120.992 119.914 -0.200 0.000 2.577 259 V HA 0.840 4.961 4.120 0.001 0.000 0.303 259 V C -0.382 175.606 176.094 -0.177 0.000 1.042 259 V CA -0.360 61.771 62.300 -0.281 0.000 0.872 259 V CB 1.661 33.083 31.823 -0.667 0.000 0.998 259 V HN 0.900 9.090 8.190 0.000 0.000 0.423 260 A N 3.699 126.489 122.820 -0.049 0.000 2.479 260 A HA 1.087 5.408 4.320 0.001 0.000 0.296 260 A C -0.622 176.963 177.584 0.001 0.000 1.121 260 A CA -0.221 51.824 52.037 0.013 0.000 0.743 260 A CB 2.181 21.256 19.000 0.124 0.000 1.323 260 A HN 1.736 9.886 8.150 0.000 0.000 0.415 261 A N -0.816 121.997 122.820 -0.011 0.000 2.594 261 A HA 0.922 5.243 4.320 0.001 0.000 0.295 261 A C -0.043 177.481 177.584 -0.099 0.000 1.071 261 A CA 0.176 52.182 52.037 -0.051 0.000 0.685 261 A CB 1.223 20.207 19.000 -0.027 0.000 1.285 261 A HN 2.397 10.547 8.150 0.000 0.000 0.405 262 G N -0.623 108.072 108.800 -0.176 0.000 3.008 262 G HA2 0.392 4.353 3.960 0.001 0.000 0.148 262 G HA3 0.392 4.353 3.960 0.001 0.000 0.148 262 G C 0.138 174.845 174.900 -0.320 0.000 1.184 262 G CA -0.089 44.862 45.100 -0.249 0.000 1.087 262 G HN 0.649 8.939 8.290 0.000 0.000 0.602 263 H N 0.817 119.798 119.070 -0.147 0.000 2.559 263 H HA 0.051 4.608 4.556 0.001 0.000 0.273 263 H C 1.084 176.315 175.328 -0.162 0.000 1.000 263 H CA 1.027 57.004 56.048 -0.120 0.000 1.195 263 H CB 0.469 30.179 29.762 -0.087 0.000 1.368 263 H HN 0.271 8.551 8.280 0.000 0.000 0.592 264 D N -0.263 119.999 120.400 -0.230 0.000 2.347 264 D HA -0.017 4.624 4.640 0.001 0.000 0.215 264 D C 1.112 177.141 176.300 -0.452 0.000 0.976 264 D CA 0.293 54.023 54.000 -0.450 0.000 0.884 264 D CB 0.129 40.342 40.800 -0.978 0.000 0.915 264 D HN 0.302 8.672 8.370 0.000 0.000 0.526 265 C N -0.363 118.777 119.300 -0.267 0.000 4.497 265 C HA -0.221 4.239 4.460 0.001 0.000 0.268 265 C C 0.057 175.136 174.990 0.149 0.000 1.343 265 C CA 0.096 59.101 59.018 -0.021 0.000 1.742 265 C CB -3.068 24.748 27.740 0.127 0.000 1.450 265 C HN 0.424 8.654 8.230 0.000 0.000 0.733 266 F N -1.709 118.310 119.950 0.115 0.000 2.613 266 F HA 0.868 5.396 4.527 0.001 0.000 0.310 266 F C -2.812 172.987 175.800 -0.002 0.000 1.085 266 F CA -3.244 54.822 58.000 0.111 0.000 0.945 266 F CB 0.449 39.511 39.000 0.103 0.000 1.298 266 F HN -0.172 8.128 8.300 0.000 0.000 0.455 267 P HA 0.415 4.835 4.420 0.000 0.000 0.278 267 P C -0.948 176.382 177.300 0.050 0.000 1.238 267 P CA -0.213 62.859 63.100 -0.047 0.000 0.794 267 P CB 2.051 33.515 31.700 -0.393 0.000 0.955 268 V N 0.394 120.295 119.914 -0.022 0.000 3.130 268 V HA 0.688 4.809 4.120 0.001 0.000 0.310 268 V C -0.939 174.959 176.094 -0.326 0.000 1.158 268 V CA -1.232 61.000 62.300 -0.112 0.000 1.029 268 V CB 1.898 33.738 31.823 0.029 0.000 1.057 268 V HN 0.414 8.604 8.190 0.000 0.000 0.436 269 L N 1.700 122.598 121.223 -0.542 0.000 2.346 269 L HA 0.862 5.203 4.340 0.001 0.000 0.274 269 L C -1.350 175.074 176.870 -0.743 0.000 1.007 269 L CA -0.273 54.270 54.840 -0.494 0.000 0.818 269 L CB 1.571 43.421 42.059 -0.350 0.000 1.284 269 L HN 0.699 8.929 8.230 0.000 0.000 0.424 270 F N 1.515 121.388 119.950 -0.129 0.000 2.565 270 F HA 0.682 5.210 4.527 0.001 0.000 0.313 270 F C -0.050 175.703 175.800 -0.078 0.000 1.091 270 F CA -0.521 57.429 58.000 -0.083 0.000 0.915 270 F CB 2.573 41.528 39.000 -0.075 0.000 1.208 270 F HN 0.555 8.855 8.300 0.000 0.000 0.453 271 T N -0.734 113.912 114.554 0.153 0.000 2.863 271 T HA 0.474 4.825 4.350 0.001 0.000 0.285 271 T C -1.588 173.223 174.700 0.185 0.000 1.009 271 T CA -0.765 61.405 62.100 0.116 0.000 0.989 271 T CB 1.762 70.660 68.868 0.050 0.000 1.004 271 T HN 0.458 8.698 8.240 0.000 0.000 0.455 272 Y N 2.197 122.520 120.300 0.037 0.000 2.331 272 Y HA 0.442 4.993 4.550 0.001 0.000 0.338 272 Y C -0.514 175.408 175.900 0.037 0.000 0.976 272 Y CA -1.519 56.603 58.100 0.036 0.000 1.137 272 Y CB 1.270 39.764 38.460 0.056 0.000 1.172 272 Y HN 0.805 9.085 8.280 0.000 0.000 0.478 273 D N 4.140 124.338 120.400 -0.337 0.000 2.411 273 D HA 0.044 4.684 4.640 0.001 0.000 0.225 273 D C 0.829 176.676 176.300 -0.756 0.000 1.156 273 D CA 0.287 54.059 54.000 -0.379 0.000 0.874 273 D CB 1.576 42.266 40.800 -0.183 0.000 1.034 273 D HN 0.754 9.124 8.370 0.000 0.000 0.502 274 S N 3.179 118.437 115.700 -0.737 0.000 2.383 274 S HA -0.202 4.269 4.470 0.001 0.000 0.229 274 S C 1.908 176.326 174.600 -0.302 0.000 1.030 274 S CA 1.578 59.407 58.200 -0.618 0.000 1.002 274 S CB 0.037 63.097 63.200 -0.232 0.000 0.829 274 S HN 0.591 8.901 8.310 0.000 0.000 0.467 275 A N 0.952 123.648 122.820 -0.208 0.000 1.873 275 A HA 0.276 4.597 4.320 0.001 0.000 0.215 275 A C 2.356 179.879 177.584 -0.101 0.000 1.186 275 A CA 1.745 53.712 52.037 -0.116 0.000 0.616 275 A CB -1.154 17.795 19.000 -0.085 0.000 0.823 275 A HN 0.801 8.951 8.150 0.000 0.000 0.442 276 A N -1.769 120.977 122.820 -0.123 0.000 2.178 276 A HA 0.425 4.746 4.320 0.001 0.000 0.211 276 A C 1.691 179.238 177.584 -0.062 0.000 1.157 276 A CA 1.119 53.110 52.037 -0.076 0.000 0.780 276 A CB -0.905 18.059 19.000 -0.061 0.000 0.828 276 A HN 1.935 10.085 8.150 0.000 0.000 0.476 277 G N 0.002 108.725 108.800 -0.129 0.000 2.314 277 G HA2 -0.275 3.685 3.960 0.001 0.000 0.292 277 G HA3 -0.275 3.685 3.960 0.001 0.000 0.292 277 G C -0.056 174.913 174.900 0.114 0.000 1.059 277 G CA 0.876 45.984 45.100 0.013 0.000 0.982 277 G HN 0.906 9.196 8.290 0.000 0.000 0.505 278 K N -0.286 120.143 120.400 0.048 0.000 2.464 278 K HA 0.713 5.034 4.320 0.001 0.000 0.253 278 K C -0.338 176.358 176.600 0.159 0.000 0.933 278 K CA -1.207 55.138 56.287 0.098 0.000 0.801 278 K CB 1.367 33.886 32.500 0.033 0.000 1.271 278 K HN 0.121 8.371 8.250 0.000 0.000 0.430 279 L N 2.115 123.429 121.223 0.152 0.000 2.343 279 L HA 0.456 4.797 4.340 0.001 0.000 0.275 279 L C -0.404 176.552 176.870 0.143 0.000 1.056 279 L CA -0.545 54.388 54.840 0.154 0.000 0.804 279 L CB 2.016 44.100 42.059 0.042 0.000 1.203 279 L HN 0.688 8.918 8.230 0.000 0.000 0.440 280 S N 1.280 117.096 115.700 0.195 0.000 2.570 280 S HA 0.495 4.966 4.470 0.001 0.000 0.286 280 S C -1.063 173.734 174.600 0.329 0.000 1.099 280 S CA -0.514 57.815 58.200 0.214 0.000 0.913 280 S CB 1.862 65.133 63.200 0.119 0.000 1.085 280 S HN 0.345 8.655 8.310 0.000 0.000 0.480 281 F N 1.804 121.845 119.950 0.152 0.000 2.410 281 F HA 0.651 5.178 4.527 0.001 0.000 0.348 281 F C 0.885 176.634 175.800 -0.084 0.000 1.106 281 F CA -0.185 57.823 58.000 0.014 0.000 1.163 281 F CB 0.819 39.848 39.000 0.048 0.000 1.129 281 F HN 0.644 8.944 8.300 0.000 0.000 0.516 282 G N 3.725 111.998 108.800 -0.878 0.000 4.000 282 G HA2 0.274 4.235 3.960 0.001 0.000 0.260 282 G HA3 0.274 4.235 3.960 0.001 0.000 0.260 282 G C 0.496 174.852 174.900 -0.907 0.000 1.047 282 G CA 0.195 44.887 45.100 -0.679 0.000 0.860 282 G HN 1.107 9.397 8.290 0.000 0.000 0.464 283 G N -0.294 107.568 108.800 -1.562 0.000 2.479 283 G HA2 0.394 4.355 3.960 0.001 0.000 0.275 283 G HA3 0.394 4.355 3.960 0.001 0.000 0.275 283 G C 0.356 174.911 174.900 -0.575 0.000 1.421 283 G CA -0.206 44.272 45.100 -1.037 0.000 1.059 283 G HN 0.429 8.719 8.290 0.000 0.000 0.535 284 R N -1.625 118.743 120.500 -0.220 0.000 2.462 284 R HA -0.110 4.231 4.340 0.001 0.000 0.337 284 R C 0.765 176.969 176.300 -0.161 0.000 1.006 284 R CA 0.231 56.260 56.100 -0.119 0.000 0.677 284 R CB -1.667 28.568 30.300 -0.109 0.000 2.024 284 R HN 0.529 8.799 8.270 0.000 0.000 0.458 285 L N -0.167 120.980 121.223 -0.128 0.000 2.416 285 L HA 0.101 4.442 4.340 0.001 0.000 0.216 285 L C 1.000 177.855 176.870 -0.026 0.000 1.098 285 L CA 0.331 55.117 54.840 -0.091 0.000 0.840 285 L CB 0.014 42.011 42.059 -0.102 0.000 0.981 285 L HN 0.231 8.461 8.230 0.000 0.000 0.462 286 D N 1.620 121.988 120.400 -0.052 0.000 2.468 286 D HA 0.231 4.871 4.640 0.001 0.000 0.218 286 D C -0.286 176.008 176.300 -0.011 0.000 1.155 286 D CA -0.235 53.836 54.000 0.119 0.000 0.924 286 D CB 0.652 41.593 40.800 0.235 0.000 1.029 286 D HN -0.059 8.311 8.370 0.000 0.000 0.515 287 V N 3.255 123.184 119.914 0.026 0.000 2.407 287 V HA 0.648 4.769 4.120 0.001 0.000 0.278 287 V C -1.501 174.589 176.094 -0.007 0.000 1.037 287 V CA -1.300 60.982 62.300 -0.030 0.000 0.900 287 V CB 0.638 32.447 31.823 -0.024 0.000 0.983 287 V HN 0.421 8.611 8.190 0.000 0.000 0.459 320 G N -1.031 107.777 108.800 0.014 0.000 4.553 320 G HA2 0.483 4.444 3.960 0.001 0.000 0.222 320 G HA3 0.483 4.444 3.960 0.001 0.000 0.222 320 G C -0.726 174.192 174.900 0.030 0.000 0.795 320 G CA 0.211 45.322 45.100 0.019 0.000 1.181 320 G HN 0.887 9.177 8.290 0.000 0.000 0.766 321 L N 1.075 122.318 121.223 0.033 0.000 2.309 321 L HA 0.586 4.926 4.340 0.001 0.000 0.261 321 L C 0.152 177.048 176.870 0.043 0.000 1.021 321 L CA -0.667 54.206 54.840 0.056 0.000 0.823 321 L CB 1.506 43.617 42.059 0.087 0.000 1.366 321 L HN 0.223 8.453 8.230 0.000 0.000 0.423 322 D N -1.482 118.953 120.400 0.059 0.000 2.388 322 D HA 0.022 4.663 4.640 0.001 0.000 0.221 322 D C 0.274 176.604 176.300 0.050 0.000 1.133 322 D CA -0.041 53.979 54.000 0.033 0.000 0.831 322 D CB 0.303 41.112 40.800 0.014 0.000 0.962 322 D HN 0.414 8.784 8.370 0.000 0.000 0.502 323 S N -0.835 114.928 115.700 0.105 0.000 2.638 323 S HA 0.365 4.836 4.470 0.001 0.000 0.298 323 S C 0.921 175.579 174.600 0.097 0.000 1.111 323 S CA -0.823 57.482 58.200 0.175 0.000 1.027 323 S CB 1.970 65.385 63.200 0.359 0.000 1.064 323 S HN -0.061 8.249 8.310 0.000 0.000 0.525 324 L N 1.273 122.577 121.223 0.135 0.000 1.989 324 L HA 0.002 4.343 4.340 0.001 0.000 0.211 324 L C 1.191 177.913 176.870 -0.247 0.000 1.071 324 L CA 1.854 56.646 54.840 -0.079 0.000 0.749 324 L CB -0.994 41.098 42.059 0.055 0.000 0.890 324 L HN 0.722 8.952 8.230 0.000 0.000 0.431 325 H N 0.202 119.373 119.070 0.168 0.000 2.629 325 H HA 0.146 4.702 4.556 0.001 0.000 0.357 325 H C 0.437 175.821 175.328 0.094 0.000 1.121 325 H CA -0.135 56.036 56.048 0.206 0.000 1.406 325 H CB 1.028 30.969 29.762 0.299 0.000 1.456 325 H HN -0.027 8.253 8.280 0.000 0.000 0.579 326 K N 1.826 122.347 120.400 0.201 0.000 2.440 326 K HA 0.162 4.483 4.320 0.001 0.000 0.206 326 K C 0.088 176.767 176.600 0.131 0.000 1.025 326 K CA -0.167 56.190 56.287 0.118 0.000 1.135 326 K CB 0.128 32.658 32.500 0.050 0.000 0.856 326 K HN 0.509 8.759 8.250 0.000 0.000 0.502 327 N N -0.700 118.099 118.700 0.164 0.000 3.185 327 N HA 0.094 4.835 4.740 0.001 0.000 0.238 327 N C -1.303 174.255 175.510 0.079 0.000 1.451 327 N CA -0.301 52.818 53.050 0.116 0.000 0.888 327 N CB 1.287 39.837 38.487 0.104 0.000 1.413 327 N HN -0.215 8.165 8.380 0.000 0.000 0.511 328 S N 0.087 115.806 115.700 0.032 0.000 2.599 328 S HA 0.036 4.506 4.470 0.001 0.000 0.303 328 S C 0.125 174.634 174.600 -0.152 0.000 1.267 328 S CA -0.206 57.932 58.200 -0.103 0.000 1.055 328 S CB 0.088 63.155 63.200 -0.222 0.000 0.790 328 S HN 0.288 8.598 8.310 0.000 0.000 0.500 329 V N 3.639 123.426 119.914 -0.210 0.000 2.383 329 V HA 0.253 4.374 4.120 0.001 0.000 0.275 329 V C 0.973 176.964 176.094 -0.172 0.000 1.036 329 V CA -0.055 62.113 62.300 -0.220 0.000 0.889 329 V CB 1.306 33.012 31.823 -0.195 0.000 0.985 329 V HN 1.089 9.279 8.190 0.000 0.000 0.459 330 S N 2.845 118.481 115.700 -0.106 0.000 2.540 330 S HA 0.289 4.760 4.470 0.001 0.000 0.222 330 S C 0.206 174.807 174.600 0.001 0.000 1.008 330 S CA -0.288 57.867 58.200 -0.076 0.000 0.939 330 S CB 0.319 63.478 63.200 -0.068 0.000 0.865 330 S HN 0.716 9.026 8.310 0.000 0.000 0.499 331 Q N 0.108 119.946 119.800 0.064 0.000 2.377 331 Q HA 0.709 5.050 4.340 0.001 0.000 0.279 331 Q C -2.212 173.945 176.000 0.262 0.000 1.049 331 Q CA -0.768 55.115 55.803 0.133 0.000 0.825 331 Q CB 2.272 31.072 28.738 0.103 0.000 1.401 331 Q HN 0.461 8.731 8.270 0.000 0.000 0.404 332 I N 1.870 122.594 120.570 0.256 0.000 2.722 332 I HA 0.639 4.809 4.170 0.001 0.000 0.295 332 I C -1.699 174.615 176.117 0.328 0.000 1.161 332 I CA -0.335 61.162 61.300 0.329 0.000 1.032 332 I CB 2.195 40.314 38.000 0.200 0.000 1.244 332 I HN 0.810 9.020 8.210 0.000 0.000 0.421 333 S N 5.345 121.297 115.700 0.419 0.000 2.541 333 S HA 0.584 5.054 4.470 0.001 0.000 0.271 333 S C -1.074 173.707 174.600 0.302 0.000 1.133 333 S CA -0.801 57.614 58.200 0.358 0.000 0.876 333 S CB 1.749 65.239 63.200 0.483 0.000 1.105 333 S HN 0.387 8.697 8.310 0.000 0.000 0.470 334 V N 3.541 123.592 119.914 0.227 0.000 2.470 334 V HA 0.168 4.288 4.120 0.001 0.000 0.276 334 V C 1.001 177.144 176.094 0.082 0.000 1.040 334 V CA -0.097 62.315 62.300 0.187 0.000 1.008 334 V CB 0.331 32.249 31.823 0.159 0.000 0.990 334 V HN 0.925 9.115 8.190 0.000 0.000 0.477 335 L N 3.790 125.021 121.223 0.013 0.000 2.168 335 L HA 0.149 4.490 4.340 0.001 0.000 0.203 335 L C 0.869 177.684 176.870 -0.091 0.000 1.078 335 L CA 0.801 55.538 54.840 -0.173 0.000 0.780 335 L CB 0.196 42.075 42.059 -0.301 0.000 0.939 335 L HN 0.825 9.055 8.230 0.000 0.000 0.451 336 S N -2.292 113.399 115.700 -0.015 0.000 2.537 336 S HA 0.631 5.101 4.470 0.001 0.000 0.270 336 S C 0.134 174.759 174.600 0.043 0.000 1.142 336 S CA -0.122 58.080 58.200 0.003 0.000 0.870 336 S CB 1.956 65.145 63.200 -0.019 0.000 1.112 336 S HN 0.360 8.669 8.310 0.000 0.000 0.466 337 G N 0.515 109.340 108.800 0.042 0.000 2.194 337 G HA2 0.319 4.280 3.960 0.001 0.000 0.236 337 G HA3 0.319 4.280 3.960 0.001 0.000 0.236 337 G C 1.487 176.426 174.900 0.065 0.000 0.987 337 G CA 0.553 45.685 45.100 0.054 0.000 0.635 337 G HN 2.637 10.927 8.290 0.000 0.000 0.520 338 G N -0.214 108.629 108.800 0.071 0.000 2.697 338 G HA2 -0.166 3.795 3.960 0.001 0.000 0.240 338 G HA3 -0.166 3.795 3.960 0.001 0.000 0.240 338 G C 0.482 175.443 174.900 0.102 0.000 1.346 338 G CA 0.728 45.877 45.100 0.081 0.000 0.887 338 G HN 1.016 9.306 8.290 0.000 0.000 0.569 339 K N 0.292 120.755 120.400 0.106 0.000 2.393 339 K HA 0.400 4.721 4.320 0.001 0.000 0.193 339 K C 2.489 179.161 176.600 0.120 0.000 1.026 339 K CA 0.840 57.209 56.287 0.136 0.000 1.064 339 K CB 0.305 32.898 32.500 0.156 0.000 0.833 339 K HN 0.626 8.876 8.250 0.000 0.000 0.521 340 A N 1.308 124.178 122.820 0.083 0.000 2.030 340 A HA 0.005 4.326 4.320 0.001 0.000 0.215 340 A C 1.055 178.684 177.584 0.076 0.000 1.164 340 A CA 0.978 53.057 52.037 0.069 0.000 0.697 340 A CB 0.226 19.252 19.000 0.044 0.000 0.827 340 A HN 0.063 8.213 8.150 0.000 0.000 0.457 341 K N -0.496 119.952 120.400 0.079 0.000 3.152 341 K HA 0.138 4.459 4.320 0.001 0.000 0.206 341 K C -1.075 175.575 176.600 0.084 0.000 1.284 341 K CA -0.327 56.005 56.287 0.076 0.000 0.813 341 K CB -0.556 31.978 32.500 0.058 0.000 1.185 341 K HN 0.213 8.463 8.250 0.000 0.000 0.550 342 C N 1.838 121.202 119.300 0.106 0.000 2.653 342 C HA 0.450 4.911 4.460 0.001 0.000 0.421 342 C C 1.530 176.603 174.990 0.138 0.000 1.334 342 C CA 0.747 59.842 59.018 0.129 0.000 1.885 342 C CB -0.274 27.564 27.740 0.163 0.000 2.645 342 C HN 0.841 9.071 8.230 0.000 0.000 0.601 343 S N 3.326 119.100 115.700 0.123 0.000 2.524 343 S HA 0.262 4.733 4.470 0.001 0.000 0.222 343 S C 0.073 174.739 174.600 0.110 0.000 1.040 343 S CA -0.098 58.164 58.200 0.104 0.000 0.915 343 S CB 0.041 63.277 63.200 0.059 0.000 0.831 343 S HN 0.900 9.210 8.310 0.000 0.000 0.492 344 Q N 0.412 120.283 119.800 0.118 0.000 2.284 344 Q HA 0.568 4.909 4.340 0.001 0.000 0.269 344 Q C -1.843 174.258 176.000 0.168 0.000 1.026 344 Q CA -0.642 55.200 55.803 0.066 0.000 0.831 344 Q CB 2.602 31.320 28.738 -0.032 0.000 1.322 344 Q HN 0.529 8.799 8.270 0.000 0.000 0.419 345 F N -1.156 118.879 119.950 0.142 0.000 2.620 345 F HA 0.838 5.366 4.527 0.001 0.000 0.320 345 F C -0.886 175.075 175.800 0.269 0.000 1.069 345 F CA -1.237 56.859 58.000 0.162 0.000 0.953 345 F CB 1.144 40.242 39.000 0.163 0.000 1.322 345 F HN 0.544 8.844 8.300 0.000 0.000 0.479 346 C N 1.902 121.482 119.300 0.467 0.000 2.493 346 C HA 0.929 5.390 4.460 0.001 0.000 0.326 346 C C -0.541 174.782 174.990 0.554 0.000 1.200 346 C CA 0.279 59.542 59.018 0.408 0.000 1.739 346 C CB 1.057 28.953 27.740 0.259 0.000 2.300 346 C HN 1.159 9.389 8.230 0.000 0.000 0.500 347 T N 1.816 116.697 114.554 0.544 0.000 2.921 347 T HA 0.740 5.091 4.350 0.001 0.000 0.297 347 T C -0.542 174.373 174.700 0.360 0.000 1.013 347 T CA -0.329 62.074 62.100 0.506 0.000 0.990 347 T CB 1.363 70.628 68.868 0.663 0.000 1.023 347 T HN 0.971 9.211 8.240 0.000 0.000 0.447 348 T N 0.089 114.785 114.554 0.238 0.000 2.887 348 T HA 0.905 5.256 4.350 0.001 0.000 0.288 348 T C 0.232 174.947 174.700 0.026 0.000 1.021 348 T CA -0.675 61.525 62.100 0.167 0.000 1.000 348 T CB 1.853 70.852 68.868 0.219 0.000 1.034 348 T HN 1.170 9.410 8.240 0.000 0.000 0.467 349 G N 0.301 109.102 108.800 0.001 0.000 2.921 349 G HA2 0.505 4.466 3.960 0.001 0.000 0.291 349 G HA3 0.505 4.466 3.960 0.001 0.000 0.291 349 G C 0.333 175.248 174.900 0.025 0.000 1.370 349 G CA -1.111 43.952 45.100 -0.061 0.000 0.847 349 G HN 0.707 8.997 8.290 0.000 0.000 0.532 350 M N 0.903 120.512 119.600 0.015 0.000 2.686 350 M HA 0.059 4.540 4.480 0.001 0.000 0.246 350 M C 1.419 177.764 176.300 0.075 0.000 1.096 350 M CA 0.881 56.204 55.300 0.039 0.000 1.076 350 M CB -0.043 32.576 32.600 0.032 0.000 1.504 350 M HN 0.626 8.916 8.290 0.000 0.000 0.524 351 D N -0.726 119.749 120.400 0.125 0.000 2.339 351 D HA 0.077 4.717 4.640 0.001 0.000 0.217 351 D C 1.327 177.717 176.300 0.149 0.000 1.050 351 D CA 0.886 54.981 54.000 0.158 0.000 0.856 351 D CB -0.114 40.830 40.800 0.240 0.000 0.922 351 D HN 0.396 8.766 8.370 0.000 0.000 0.518 352 G N -0.305 108.566 108.800 0.119 0.000 2.176 352 G HA2 -0.159 3.802 3.960 0.001 0.000 0.253 352 G HA3 -0.159 3.802 3.960 0.001 0.000 0.253 352 G C 0.584 175.508 174.900 0.041 0.000 0.979 352 G CA 0.052 45.196 45.100 0.074 0.000 0.641 352 G HN 0.787 9.077 8.290 0.000 0.000 0.530 353 G N -0.679 108.180 108.800 0.099 0.000 2.400 353 G HA2 0.639 4.600 3.960 0.001 0.000 0.301 353 G HA3 0.639 4.600 3.960 0.001 0.000 0.301 353 G C -0.213 174.651 174.900 -0.059 0.000 1.154 353 G CA -0.183 44.782 45.100 -0.225 0.000 0.852 353 G HN 0.484 8.774 8.290 0.000 0.000 0.511 354 M N 1.805 121.202 119.600 -0.338 0.000 2.197 354 M HA 0.494 4.975 4.480 0.001 0.000 0.301 354 M C -0.943 175.244 176.300 -0.189 0.000 0.987 354 M CA -0.494 54.765 55.300 -0.068 0.000 0.921 354 M CB 1.461 34.078 32.600 0.029 0.000 1.569 354 M HN 0.364 8.654 8.290 0.000 0.000 0.431 355 S N 5.227 120.939 115.700 0.020 0.000 2.568 355 S HA 0.781 5.251 4.470 0.001 0.000 0.302 355 S C -0.510 173.970 174.600 -0.199 0.000 1.082 355 S CA -0.645 57.451 58.200 -0.173 0.000 1.009 355 S CB 1.860 64.947 63.200 -0.188 0.000 1.069 355 S HN 0.714 9.024 8.310 0.000 0.000 0.500 356 I N 1.896 122.191 120.570 -0.459 0.000 2.447 356 I HA 0.396 4.567 4.170 0.001 0.000 0.287 356 I C -1.511 174.213 176.117 -0.655 0.000 1.023 356 I CA -0.483 60.599 61.300 -0.362 0.000 1.083 356 I CB 1.419 39.328 38.000 -0.152 0.000 1.245 356 I HN 0.592 8.802 8.210 0.000 0.000 0.434 357 W N 4.867 125.894 121.300 -0.455 0.000 2.573 357 W HA 0.381 5.042 4.660 0.001 0.000 0.326 357 W C -0.076 176.164 176.519 -0.466 0.000 1.049 357 W CA -0.542 56.443 57.345 -0.600 0.000 1.220 357 W CB 0.998 29.688 29.460 -1.284 0.000 1.373 357 W HN 0.323 8.503 8.180 0.000 0.000 0.507 358 D N 2.599 122.974 120.400 -0.043 0.000 2.427 358 D HA 0.148 4.788 4.640 0.001 0.000 0.226 358 D C 0.925 177.270 176.300 0.075 0.000 1.076 358 D CA -0.154 53.846 54.000 -0.001 0.000 0.849 358 D CB 1.904 42.696 40.800 -0.013 0.000 1.052 358 D HN 0.228 8.598 8.370 0.000 0.000 0.515 359 V N 5.703 125.692 119.914 0.126 0.000 2.231 359 V HA -0.353 3.768 4.120 0.001 0.000 0.250 359 V C 2.676 178.834 176.094 0.106 0.000 1.058 359 V CA 2.620 65.023 62.300 0.171 0.000 1.022 359 V CB -0.746 31.188 31.823 0.185 0.000 0.640 359 V HN 0.672 8.862 8.190 0.000 0.000 0.445 360 R N 0.545 121.090 120.500 0.074 0.000 2.081 360 R HA -0.139 4.202 4.340 0.001 0.000 0.235 360 R C 2.238 178.563 176.300 0.043 0.000 1.131 360 R CA 2.102 58.232 56.100 0.050 0.000 0.960 360 R CB -0.902 29.420 30.300 0.036 0.000 0.856 360 R HN 0.401 8.671 8.270 0.000 0.000 0.436 361 S N 1.053 116.778 115.700 0.041 0.000 2.383 361 S HA -0.024 4.446 4.470 0.001 0.000 0.229 361 S C 1.848 176.477 174.600 0.049 0.000 1.030 361 S CA 1.372 59.592 58.200 0.034 0.000 1.002 361 S CB -0.229 62.985 63.200 0.023 0.000 0.829 361 S HN 0.280 8.590 8.310 0.000 0.000 0.467 362 L N 1.011 122.280 121.223 0.077 0.000 2.141 362 L HA -0.088 4.253 4.340 0.001 0.000 0.209 362 L C 2.467 179.368 176.870 0.051 0.000 1.094 362 L CA 1.085 55.978 54.840 0.089 0.000 0.763 362 L CB -0.460 41.681 42.059 0.137 0.000 0.908 362 L HN 0.353 8.583 8.230 0.000 0.000 0.437 363 E N -0.176 120.051 120.200 0.044 0.000 2.072 363 E HA -0.158 4.193 4.350 0.001 0.000 0.190 363 E C 2.252 178.860 176.600 0.014 0.000 0.982 363 E CA 1.491 57.905 56.400 0.024 0.000 0.803 363 E CB 0.012 29.728 29.700 0.026 0.000 0.755 363 E HN 0.489 8.849 8.360 0.000 0.000 0.453 364 S N 0.272 115.982 115.700 0.017 0.000 2.489 364 S HA 0.116 4.586 4.470 0.001 0.000 0.228 364 S C 1.948 176.553 174.600 0.008 0.000 0.995 364 S CA 0.523 58.729 58.200 0.010 0.000 0.934 364 S CB 0.383 63.589 63.200 0.010 0.000 0.771 364 S HN 0.227 8.537 8.310 0.000 0.000 0.522 365 A N 0.597 123.425 122.820 0.013 0.000 2.030 365 A HA 0.509 4.830 4.320 0.001 0.000 0.215 365 A C 0.622 178.209 177.584 0.004 0.000 1.164 365 A CA 0.277 52.321 52.037 0.012 0.000 0.697 365 A CB -0.111 18.903 19.000 0.024 0.000 0.827 365 A HN 0.450 8.600 8.150 0.000 0.000 0.457 366 L N 1.062 122.286 121.223 0.001 0.000 2.445 366 L HA 0.290 4.631 4.340 0.001 0.000 0.252 366 L C 0.890 177.749 176.870 -0.019 0.000 1.105 366 L CA -0.351 54.480 54.840 -0.015 0.000 0.943 366 L CB 1.297 43.341 42.059 -0.025 0.000 1.277 366 L HN 0.280 8.510 8.230 0.000 0.000 0.465 367 K N -0.003 120.388 120.400 -0.015 0.000 2.173 367 K HA -0.248 4.073 4.320 0.001 0.000 0.207 367 K C 1.047 177.634 176.600 -0.022 0.000 1.046 367 K CA 2.073 58.351 56.287 -0.015 0.000 0.929 367 K CB -0.736 31.757 32.500 -0.012 0.000 0.720 367 K HN 0.623 8.873 8.250 0.000 0.000 0.453 368 D N -0.427 119.955 120.400 -0.030 0.000 2.363 368 D HA -0.048 4.593 4.640 0.001 0.000 0.220 368 D C 0.172 176.440 176.300 -0.053 0.000 0.994 368 D CA -0.225 53.752 54.000 -0.039 0.000 0.890 368 D CB -0.054 40.720 40.800 -0.043 0.000 0.906 368 D HN 0.074 8.444 8.370 0.000 0.000 0.530 369 L N 0.734 121.925 121.223 -0.054 0.000 2.490 369 L HA 0.122 4.463 4.340 0.001 0.000 0.274 369 L C 0.830 177.669 176.870 -0.052 0.000 1.201 369 L CA 0.391 55.191 54.840 -0.067 0.000 0.869 369 L CB 0.658 42.686 42.059 -0.052 0.000 1.123 369 L HN -0.117 8.113 8.230 0.000 0.000 0.484 370 K N 4.131 124.490 120.400 -0.067 0.000 2.890 370 K HA 0.523 4.843 4.320 0.001 0.000 0.187 370 K C -0.372 176.212 176.600 -0.027 0.000 1.103 370 K CA -0.047 56.213 56.287 -0.046 0.000 1.284 370 K CB -0.047 32.420 32.500 -0.055 0.000 1.754 370 K HN 0.492 8.742 8.250 0.000 0.000 0.471 371 I N 0.652 121.205 120.570 -0.028 0.000 6.833 371 I HA -0.258 3.912 4.170 0.001 0.000 0.126 371 I C -1.085 175.041 176.117 0.015 0.000 1.831 371 I CA -0.334 60.963 61.300 -0.004 0.000 2.037 371 I CB -1.019 36.987 38.000 0.010 0.000 3.551 371 I HN 0.277 8.487 8.210 0.000 0.000 0.169 372 V N 0.000 119.930 119.914 0.027 0.000 2.409 372 V HA 0.000 4.121 4.120 0.001 0.000 0.244 372 V CA 0.000 62.325 62.300 0.041 0.000 1.235 372 V CB 0.000 31.849 31.823 0.043 0.000 1.184 372 V HN 0.000 8.190 8.190 0.000 0.000 0.556