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 2ldb_1_C DATA FIRST_RESID 15 DATA SEQUENCE MKNNGGARVV VIGAGFVGAS YVFALMNQGI ADEIVLIDAN ESKAIGDAMD DATA SEQUENCE FNHGKVFAPK PVDIWXXDYD DCRDADLVVI CAGAXXXXXX XXLDLVDKNI DATA SEQUENCE AIFRSIVESV MASGFQGLFL VATNPVDILT YATWKFSGLP HERVIGSGTI DATA SEQUENCE LDTARFRFLL GEYFSVAPQN VHAYIIGEHG DTELPVWSQA YIGVMPIRKL DATA SEQUENCE VESKXXXXXX DLERIFVNVR DAAYQIIEKK GATYYGIAMG LARVTRAILH DATA SEQUENCE NENAILTVSA YLDGLYGERD VYIGVPAVIN RNGIREVIEI ELNDDEKNRF DATA SEQUENCE HHSAATLKSV LARAFTR 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 15 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 15 M C 0.000 176.297 176.300 -0.005 0.000 1.140 15 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 15 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 16 K N 0.503 120.900 120.400 -0.005 0.000 4.324 16 K HA 0.474 4.798 4.320 0.007 0.000 0.228 16 K C -0.482 176.115 176.600 -0.006 0.000 1.063 16 K CA -0.557 55.726 56.287 -0.006 0.000 1.901 16 K CB -0.024 32.472 32.500 -0.007 0.000 2.896 16 K HN 0.511 8.761 8.250 -0.000 0.000 0.708 17 N N 2.029 120.725 118.700 -0.007 0.000 2.540 17 N HA 0.086 4.831 4.740 0.007 0.000 0.275 17 N C -1.098 174.408 175.510 -0.006 0.000 1.053 17 N CA -0.137 52.909 53.050 -0.007 0.000 0.876 17 N CB 0.808 39.291 38.487 -0.008 0.000 1.284 17 N HN 0.423 8.803 8.380 -0.000 0.000 0.518 18 N N 2.087 120.784 118.700 -0.005 0.000 2.250 18 N HA 0.284 5.029 4.740 0.007 0.000 0.256 18 N C 0.398 175.907 175.510 -0.002 0.000 1.302 18 N CA -0.121 52.927 53.050 -0.003 0.000 0.894 18 N CB 0.077 38.562 38.487 -0.003 0.000 1.067 18 N HN 0.488 8.868 8.380 -0.000 0.000 0.487 19 G N -3.611 105.189 108.800 0.000 0.000 2.864 19 G HA2 0.402 4.366 3.960 0.007 0.000 0.223 19 G HA3 0.402 4.366 3.960 0.007 0.000 0.223 19 G C 0.256 175.161 174.900 0.007 0.000 3.561 19 G CA -0.220 44.882 45.100 0.003 0.000 0.548 19 G HN 0.752 9.042 8.290 -0.000 0.000 0.377 20 G N 0.106 108.910 108.800 0.007 0.000 2.920 20 G HA2 0.469 4.433 3.960 0.007 0.000 0.208 20 G HA3 0.469 4.433 3.960 0.007 0.000 0.208 20 G C 0.825 175.737 174.900 0.019 0.000 1.159 20 G CA 1.075 46.181 45.100 0.010 0.000 0.784 20 G HN 1.674 9.964 8.290 -0.000 0.000 0.535 21 A N 0.500 123.332 122.820 0.021 0.000 2.893 21 A HA 0.669 4.993 4.320 0.007 0.000 0.333 21 A C -0.020 177.581 177.584 0.029 0.000 1.152 21 A CA -0.666 51.391 52.037 0.033 0.000 0.782 21 A CB 0.419 19.443 19.000 0.040 0.000 1.108 21 A HN 0.219 8.369 8.150 -0.000 0.000 0.469 22 R N 1.170 121.690 120.500 0.034 0.000 2.604 22 R HA 0.775 5.119 4.340 0.007 0.000 0.287 22 R C -1.655 174.668 176.300 0.039 0.000 0.970 22 R CA -0.326 55.792 56.100 0.030 0.000 0.946 22 R CB 1.681 31.996 30.300 0.026 0.000 1.127 22 R HN 0.316 8.586 8.270 -0.000 0.000 0.473 23 V N 3.924 123.855 119.914 0.028 0.000 2.569 23 V HA 0.321 4.445 4.120 0.007 0.000 0.301 23 V C -0.705 175.402 176.094 0.023 0.000 1.044 23 V CA -0.917 61.407 62.300 0.040 0.000 0.874 23 V CB 1.813 33.674 31.823 0.064 0.000 1.002 23 V HN 0.505 8.695 8.190 -0.000 0.000 0.424 24 V N 5.006 124.915 119.914 -0.007 0.000 2.398 24 V HA 0.481 4.605 4.120 0.007 0.000 0.286 24 V C -0.038 176.046 176.094 -0.016 0.000 1.026 24 V CA -0.673 61.608 62.300 -0.032 0.000 0.868 24 V CB 1.837 33.606 31.823 -0.090 0.000 0.982 24 V HN 0.608 8.798 8.190 -0.000 0.000 0.443 25 V N 6.554 126.483 119.914 0.026 0.000 2.370 25 V HA 0.426 4.550 4.120 0.007 0.000 0.279 25 V C -0.112 175.981 176.094 -0.002 0.000 1.029 25 V CA -0.328 61.996 62.300 0.040 0.000 0.870 25 V CB 1.539 33.442 31.823 0.134 0.000 0.984 25 V HN 0.693 8.883 8.190 -0.000 0.000 0.451 26 I N 4.867 125.422 120.570 -0.025 0.000 2.304 26 I HA 0.658 4.832 4.170 0.007 0.000 0.291 26 I C 0.684 176.788 176.117 -0.022 0.000 1.018 26 I CA 0.626 61.907 61.300 -0.030 0.000 1.260 26 I CB 1.180 39.174 38.000 -0.010 0.000 1.390 26 I HN 0.849 9.059 8.210 -0.000 0.000 0.475 27 G N 4.965 113.759 108.800 -0.009 0.000 3.383 27 G HA2 0.160 4.124 3.960 0.007 0.000 0.685 27 G HA3 0.160 4.124 3.960 0.007 0.000 0.685 27 G C -0.313 174.606 174.900 0.033 0.000 1.104 27 G CA -0.382 44.717 45.100 -0.001 0.000 0.957 27 G HN 0.987 9.277 8.290 -0.000 0.000 0.461 28 A N 1.908 124.750 122.820 0.038 0.000 3.154 28 A HA 0.826 5.151 4.320 0.007 0.000 0.310 28 A C 1.210 178.818 177.584 0.040 0.000 1.093 28 A CA 0.972 53.057 52.037 0.080 0.000 1.006 28 A CB -0.026 19.031 19.000 0.095 0.000 1.084 28 A HN 2.007 10.157 8.150 -0.000 0.000 0.549 29 G N -1.006 107.803 108.800 0.014 0.000 2.736 29 G HA2 0.465 4.429 3.960 0.007 0.000 0.229 29 G HA3 0.465 4.429 3.960 0.007 0.000 0.229 29 G C 0.698 175.633 174.900 0.058 0.000 1.380 29 G CA -0.575 44.480 45.100 -0.075 0.000 1.040 29 G HN 0.274 8.564 8.290 -0.000 0.000 0.568 30 F N -1.184 118.682 119.950 -0.139 0.000 2.091 30 F HA -0.173 4.358 4.527 0.007 0.000 0.299 30 F C 2.891 178.663 175.800 -0.047 0.000 1.103 30 F CA 0.822 58.657 58.000 -0.275 0.000 1.228 30 F CB -0.039 38.629 39.000 -0.554 0.000 0.984 30 F HN 0.039 8.339 8.300 -0.000 0.000 0.477 31 V N -0.309 119.751 119.914 0.243 0.000 2.379 31 V HA -0.183 3.941 4.120 0.007 0.000 0.245 31 V C 2.520 178.729 176.094 0.192 0.000 1.044 31 V CA 1.915 64.340 62.300 0.209 0.000 1.036 31 V CB -1.043 30.870 31.823 0.151 0.000 0.664 31 V HN 0.464 8.654 8.190 -0.000 0.000 0.453 32 G N -0.386 108.510 108.800 0.160 0.000 2.453 32 G HA2 -0.217 3.747 3.960 0.007 0.000 0.215 32 G HA3 -0.217 3.747 3.960 0.007 0.000 0.215 32 G C 1.793 176.865 174.900 0.287 0.000 1.201 32 G CA 1.035 46.245 45.100 0.182 0.000 0.784 32 G HN 0.587 8.877 8.290 -0.000 0.000 0.545 33 A N 0.512 123.505 122.820 0.288 0.000 1.902 33 A HA 0.018 4.342 4.320 0.007 0.000 0.217 33 A C 2.666 180.509 177.584 0.433 0.000 1.181 33 A CA 2.308 54.591 52.037 0.410 0.000 0.623 33 A CB -0.574 18.627 19.000 0.335 0.000 0.818 33 A HN 0.315 8.465 8.150 -0.000 0.000 0.443 34 S N -2.149 113.769 115.700 0.364 0.000 2.453 34 S HA -0.065 4.409 4.470 0.007 0.000 0.231 34 S C 1.637 176.461 174.600 0.374 0.000 1.005 34 S CA 0.977 59.416 58.200 0.398 0.000 0.949 34 S CB -0.456 62.938 63.200 0.323 0.000 0.774 34 S HN 0.721 9.031 8.310 -0.000 0.000 0.510 35 Y N 2.272 122.680 120.300 0.180 0.000 2.153 35 Y HA -0.178 4.380 4.550 0.014 0.000 0.289 35 Y C 2.131 178.063 175.900 0.053 0.000 1.127 35 Y CA 1.230 59.393 58.100 0.105 0.000 1.131 35 Y CB -0.411 38.094 38.460 0.075 0.000 0.995 35 Y HN 0.011 8.291 8.280 -0.000 0.000 0.505 36 V N 0.580 120.481 119.914 -0.023 0.000 2.220 36 V HA -0.371 3.753 4.120 0.007 0.000 0.250 36 V C 2.170 178.106 176.094 -0.263 0.000 1.056 36 V CA 2.317 64.431 62.300 -0.309 0.000 1.016 36 V CB -1.278 30.302 31.823 -0.404 0.000 0.639 36 V HN 0.538 8.728 8.190 -0.000 0.000 0.446 37 F N 1.404 121.210 119.950 -0.239 0.000 2.250 37 F HA -0.140 4.402 4.527 0.025 0.000 0.301 37 F C 2.209 177.978 175.800 -0.051 0.000 1.077 37 F CA 0.820 58.779 58.000 -0.067 0.000 1.348 37 F CB -0.726 38.432 39.000 0.264 0.000 1.040 37 F HN 0.075 8.375 8.300 -0.000 0.000 0.509 38 A N 0.558 123.374 122.820 -0.006 0.000 1.858 38 A HA -0.144 4.180 4.320 0.007 0.000 0.216 38 A C 2.397 179.869 177.584 -0.187 0.000 1.190 38 A CA 1.724 53.702 52.037 -0.099 0.000 0.617 38 A CB -1.136 17.857 19.000 -0.013 0.000 0.827 38 A HN 0.428 8.578 8.150 -0.000 0.000 0.443 39 L N -1.351 119.706 121.223 -0.278 0.000 1.932 39 L HA -0.281 4.063 4.340 0.007 0.000 0.217 39 L C 2.831 179.591 176.870 -0.183 0.000 1.077 39 L CA 2.296 56.967 54.840 -0.281 0.000 0.765 39 L CB -0.549 41.259 42.059 -0.418 0.000 0.888 39 L HN 0.663 8.893 8.230 -0.000 0.000 0.433 40 M N -0.055 119.437 119.600 -0.180 0.000 2.308 40 M HA -0.354 4.130 4.480 0.007 0.000 0.257 40 M C 1.896 178.130 176.300 -0.109 0.000 1.070 40 M CA 2.252 57.483 55.300 -0.114 0.000 1.080 40 M CB -0.459 32.094 32.600 -0.078 0.000 1.274 40 M HN 0.276 8.566 8.290 -0.000 0.000 0.434 41 N N -0.051 118.532 118.700 -0.195 0.000 2.513 41 N HA -0.149 4.595 4.740 0.007 0.000 0.187 41 N C 1.027 176.453 175.510 -0.140 0.000 1.056 41 N CA 1.211 54.127 53.050 -0.224 0.000 0.907 41 N CB -0.076 38.150 38.487 -0.436 0.000 0.954 41 N HN 0.680 9.060 8.380 -0.000 0.000 0.445 42 Q N -1.187 118.542 119.800 -0.118 0.000 2.217 42 Q HA 0.181 4.525 4.340 0.007 0.000 0.217 42 Q C 0.455 176.428 176.000 -0.045 0.000 0.844 42 Q CA 0.006 55.762 55.803 -0.078 0.000 0.957 42 Q CB 1.047 29.738 28.738 -0.079 0.000 1.127 42 Q HN 0.251 8.521 8.270 -0.000 0.000 0.503 43 G N 1.597 110.371 108.800 -0.043 0.000 2.246 43 G HA2 -0.274 3.691 3.960 0.007 0.000 0.273 43 G HA3 -0.274 3.691 3.960 0.007 0.000 0.273 43 G C 0.400 175.305 174.900 0.008 0.000 1.055 43 G CA 0.470 45.562 45.100 -0.013 0.000 0.851 43 G HN 0.342 8.632 8.290 -0.000 0.000 0.500 44 I N 0.288 120.848 120.570 -0.017 0.000 2.594 44 I HA 0.388 4.562 4.170 0.007 0.000 0.237 44 I C 2.205 178.341 176.117 0.031 0.000 1.071 44 I CA 0.976 62.283 61.300 0.012 0.000 1.427 44 I CB -0.416 37.549 38.000 -0.059 0.000 1.218 44 I HN 0.401 8.611 8.210 -0.000 0.000 0.444 45 A N 0.198 123.004 122.820 -0.023 0.000 2.250 45 A HA 0.135 4.459 4.320 0.007 0.000 0.283 45 A C 0.350 177.934 177.584 -0.000 0.000 1.206 45 A CA 0.137 52.174 52.037 -0.000 0.000 0.840 45 A CB 0.137 19.125 19.000 -0.021 0.000 1.220 45 A HN 0.307 8.457 8.150 -0.000 0.000 0.505 46 D N -1.220 119.182 120.400 0.004 0.000 2.995 46 D HA 0.162 4.806 4.640 0.007 0.000 0.289 46 D C -0.209 176.088 176.300 -0.005 0.000 1.116 46 D CA 0.837 54.837 54.000 0.001 0.000 0.994 46 D CB 0.154 40.959 40.800 0.008 0.000 1.209 46 D HN 0.678 9.048 8.370 -0.000 0.000 0.458 47 E N 0.481 120.679 120.200 -0.002 0.000 2.187 47 E HA 0.551 4.905 4.350 0.007 0.000 0.268 47 E C -0.524 176.071 176.600 -0.007 0.000 0.896 47 E CA -0.386 56.011 56.400 -0.004 0.000 0.766 47 E CB 2.837 32.537 29.700 -0.000 0.000 1.142 47 E HN 0.036 8.396 8.360 -0.000 0.000 0.408 48 I N 3.136 123.699 120.570 -0.012 0.000 2.420 48 I HA 0.205 4.379 4.170 0.007 0.000 0.282 48 I C -0.339 175.784 176.117 0.009 0.000 1.019 48 I CA -0.944 60.346 61.300 -0.016 0.000 1.130 48 I CB 1.359 39.322 38.000 -0.062 0.000 1.262 48 I HN 0.249 8.459 8.210 -0.000 0.000 0.454 49 V N 6.342 126.262 119.914 0.011 0.000 2.953 49 V HA 0.365 4.489 4.120 0.007 0.000 0.304 49 V C -0.217 175.902 176.094 0.042 0.000 1.073 49 V CA -0.578 61.732 62.300 0.016 0.000 1.064 49 V CB 1.823 33.632 31.823 -0.025 0.000 1.047 49 V HN 0.447 8.637 8.190 -0.000 0.000 0.478 50 L N 3.925 125.195 121.223 0.079 0.000 2.482 50 L HA 0.615 4.959 4.340 0.007 0.000 0.269 50 L C -0.800 176.127 176.870 0.094 0.000 0.967 50 L CA 0.185 55.088 54.840 0.104 0.000 0.851 50 L CB 1.387 43.555 42.059 0.182 0.000 1.242 50 L HN 0.536 8.766 8.230 -0.000 0.000 0.404 51 I N 3.697 124.276 120.570 0.014 0.000 2.530 51 I HA 0.556 4.730 4.170 0.007 0.000 0.297 51 I C -1.084 175.017 176.117 -0.026 0.000 1.011 51 I CA -0.615 60.651 61.300 -0.056 0.000 1.107 51 I CB 2.120 39.966 38.000 -0.256 0.000 1.285 51 I HN 0.519 8.729 8.210 -0.000 0.000 0.436 52 D N 3.355 123.747 120.400 -0.013 0.000 2.886 52 D HA 0.304 4.948 4.640 0.007 0.000 0.216 52 D C 0.354 176.653 176.300 -0.002 0.000 1.256 52 D CA -0.393 53.603 54.000 -0.007 0.000 0.844 52 D CB 2.489 43.291 40.800 0.003 0.000 1.669 52 D HN 0.591 8.961 8.370 -0.000 0.000 0.513 53 A N 3.641 126.461 122.820 0.001 0.000 1.986 53 A HA -0.193 4.131 4.320 0.007 0.000 0.220 53 A C 1.157 178.744 177.584 0.005 0.000 1.171 53 A CA 1.329 53.373 52.037 0.012 0.000 0.640 53 A CB -0.579 18.427 19.000 0.010 0.000 0.811 53 A HN 0.627 8.777 8.150 -0.000 0.000 0.451 54 N N 0.382 119.077 118.700 -0.009 0.000 3.034 54 N HA 0.119 4.863 4.740 0.007 0.000 0.265 54 N C 1.089 176.588 175.510 -0.019 0.000 1.166 54 N CA 0.351 53.388 53.050 -0.022 0.000 1.081 54 N CB 0.162 38.623 38.487 -0.042 0.000 1.378 54 N HN 0.579 8.959 8.380 -0.000 0.000 0.520 55 E N -0.152 120.052 120.200 0.007 0.000 2.130 55 E HA -0.232 4.122 4.350 0.007 0.000 0.196 55 E C 1.243 177.800 176.600 -0.073 0.000 0.998 55 E CA 1.072 57.491 56.400 0.032 0.000 0.806 55 E CB -0.143 29.627 29.700 0.116 0.000 0.738 55 E HN 0.324 8.684 8.360 -0.000 0.000 0.459 56 S N 0.712 116.360 115.700 -0.086 0.000 2.382 56 S HA -0.130 4.344 4.470 0.007 0.000 0.228 56 S C 1.769 176.268 174.600 -0.168 0.000 1.027 56 S CA 1.490 59.608 58.200 -0.137 0.000 0.991 56 S CB -0.127 63.018 63.200 -0.092 0.000 0.823 56 S HN 0.140 8.450 8.310 -0.000 0.000 0.469 57 K N 2.151 122.475 120.400 -0.126 0.000 2.097 57 K HA 0.186 4.510 4.320 0.007 0.000 0.205 57 K C 1.887 178.408 176.600 -0.131 0.000 1.050 57 K CA 1.361 57.577 56.287 -0.119 0.000 0.938 57 K CB -0.802 31.645 32.500 -0.088 0.000 0.718 57 K HN 0.216 8.466 8.250 -0.000 0.000 0.442 58 A N 0.514 123.259 122.820 -0.125 0.000 1.902 58 A HA -0.087 4.237 4.320 0.007 0.000 0.217 58 A C 2.261 179.653 177.584 -0.320 0.000 1.181 58 A CA 1.571 53.540 52.037 -0.113 0.000 0.623 58 A CB -0.612 18.396 19.000 0.013 0.000 0.818 58 A HN 0.309 8.459 8.150 -0.000 0.000 0.443 59 I N -0.235 119.960 120.570 -0.625 0.000 2.076 59 I HA -0.222 3.952 4.170 0.007 0.000 0.237 59 I C 2.782 178.629 176.117 -0.450 0.000 1.059 59 I CA 1.532 62.301 61.300 -0.885 0.000 1.317 59 I CB -0.696 36.754 38.000 -0.917 0.000 1.037 59 I HN 0.367 8.577 8.210 -0.000 0.000 0.398 60 G N 0.013 108.624 108.800 -0.315 0.000 2.491 60 G HA2 -0.315 3.649 3.960 0.007 0.000 0.218 60 G HA3 -0.315 3.649 3.960 0.007 0.000 0.218 60 G C 1.362 176.115 174.900 -0.245 0.000 1.180 60 G CA 1.338 46.299 45.100 -0.231 0.000 0.774 60 G HN 0.295 8.585 8.290 -0.000 0.000 0.562 61 D N 0.792 121.047 120.400 -0.242 0.000 2.104 61 D HA -0.049 4.595 4.640 0.007 0.000 0.194 61 D C 2.856 178.962 176.300 -0.324 0.000 0.994 61 D CA 1.359 55.134 54.000 -0.375 0.000 0.830 61 D CB -0.492 40.208 40.800 -0.167 0.000 0.959 61 D HN 0.298 8.668 8.370 -0.000 0.000 0.452 62 A N 0.369 123.174 122.820 -0.025 0.000 1.969 62 A HA -0.145 4.179 4.320 0.007 0.000 0.218 62 A C 2.255 179.881 177.584 0.070 0.000 1.169 62 A CA 1.128 53.265 52.037 0.166 0.000 0.635 62 A CB -0.424 18.682 19.000 0.178 0.000 0.810 62 A HN 0.158 8.308 8.150 -0.000 0.000 0.445 63 M N -0.932 118.645 119.600 -0.038 0.000 2.126 63 M HA -0.186 4.298 4.480 0.007 0.000 0.259 63 M C 2.066 178.447 176.300 0.136 0.000 1.073 63 M CA 2.120 57.445 55.300 0.042 0.000 1.103 63 M CB -0.793 31.843 32.600 0.059 0.000 1.284 63 M HN 0.364 8.654 8.290 -0.000 0.000 0.420 64 D N 0.186 120.581 120.400 -0.008 0.000 2.204 64 D HA -0.207 4.437 4.640 0.007 0.000 0.189 64 D C 1.630 177.923 176.300 -0.012 0.000 1.006 64 D CA 1.924 55.867 54.000 -0.095 0.000 0.855 64 D CB -0.221 40.356 40.800 -0.371 0.000 0.946 64 D HN 0.209 8.579 8.370 -0.000 0.000 0.448 65 F N 0.650 120.626 119.950 0.042 0.000 2.065 65 F HA -0.143 4.390 4.527 0.010 0.000 0.298 65 F C 2.463 178.299 175.800 0.061 0.000 1.112 65 F CA 1.085 59.125 58.000 0.067 0.000 1.212 65 F CB -1.099 37.943 39.000 0.071 0.000 0.975 65 F HN 0.038 8.338 8.300 -0.000 0.000 0.476 66 N N -0.460 118.339 118.700 0.165 0.000 2.223 66 N HA -0.166 4.578 4.740 0.007 0.000 0.185 66 N C 1.578 177.019 175.510 -0.115 0.000 1.016 66 N CA 1.300 54.340 53.050 -0.017 0.000 0.863 66 N CB -0.586 37.827 38.487 -0.123 0.000 0.983 66 N HN 0.434 8.814 8.380 -0.000 0.000 0.429 67 H N -1.312 117.786 119.070 0.046 0.000 2.462 67 H HA 0.113 4.673 4.556 0.006 0.000 0.292 67 H C 1.999 177.341 175.328 0.024 0.000 1.049 67 H CA 1.240 57.296 56.048 0.013 0.000 1.334 67 H CB -0.239 29.528 29.762 0.009 0.000 1.404 67 H HN 0.217 8.497 8.280 -0.000 0.000 0.544 68 G N 0.395 109.328 108.800 0.221 0.000 2.603 68 G HA2 -0.151 3.813 3.960 0.007 0.000 0.214 68 G HA3 -0.151 3.813 3.960 0.007 0.000 0.214 68 G C 1.464 176.480 174.900 0.193 0.000 1.140 68 G CA 0.174 45.471 45.100 0.328 0.000 0.800 68 G HN 0.276 8.566 8.290 -0.000 0.000 0.533 69 K N 0.655 121.125 120.400 0.117 0.000 2.054 69 K HA -0.317 4.007 4.320 0.007 0.000 0.227 69 K C 2.341 178.947 176.600 0.009 0.000 1.019 69 K CA 2.837 59.161 56.287 0.062 0.000 0.978 69 K CB -0.838 31.662 32.500 -0.001 0.000 0.782 69 K HN 0.150 8.400 8.250 -0.000 0.000 0.454 70 V N 0.577 120.400 119.914 -0.152 0.000 2.495 70 V HA -0.289 3.835 4.120 0.007 0.000 0.260 70 V C 2.204 178.259 176.094 -0.065 0.000 1.097 70 V CA 2.503 64.676 62.300 -0.212 0.000 1.105 70 V CB -0.861 30.658 31.823 -0.507 0.000 0.678 70 V HN 0.338 8.528 8.190 -0.000 0.000 0.469 71 F N -0.169 119.812 119.950 0.052 0.000 2.416 71 F HA 0.330 4.857 4.527 -0.000 0.000 0.296 71 F C 1.749 177.570 175.800 0.035 0.000 1.099 71 F CA 0.093 58.122 58.000 0.048 0.000 1.427 71 F CB -0.071 38.970 39.000 0.069 0.000 1.079 71 F HN 0.204 8.504 8.300 -0.000 0.000 0.536 72 A N 0.549 123.503 122.820 0.223 0.000 2.336 72 A HA 0.482 4.806 4.320 0.007 0.000 0.291 72 A C -2.038 175.589 177.584 0.072 0.000 1.266 72 A CA -0.998 51.107 52.037 0.114 0.000 0.891 72 A CB -0.702 18.354 19.000 0.094 0.000 1.366 72 A HN -0.053 8.097 8.150 -0.000 0.000 0.507 73 P HA 0.338 4.758 4.420 -0.000 0.000 0.228 73 P C -1.374 175.934 177.300 0.014 0.000 1.873 73 P CA -0.295 62.820 63.100 0.024 0.000 1.033 73 P CB 0.286 31.997 31.700 0.018 0.000 1.707 74 K N -0.347 120.060 120.400 0.012 0.000 3.036 74 K HA 0.009 4.334 4.320 0.007 0.000 0.303 74 K C -2.763 173.837 176.600 -0.000 0.000 1.215 74 K CA 0.105 56.395 56.287 0.005 0.000 0.774 74 K CB -2.105 30.397 32.500 0.002 0.000 1.543 74 K HN 0.356 8.606 8.250 -0.000 0.000 0.484 75 P HA 0.706 5.126 4.420 -0.000 0.000 0.297 75 P C -0.942 176.355 177.300 -0.004 0.000 1.287 75 P CA -0.762 62.333 63.100 -0.008 0.000 1.085 75 P CB 2.462 34.149 31.700 -0.023 0.000 1.558 76 V N 0.173 120.084 119.914 -0.005 0.000 2.823 76 V HA 0.498 4.622 4.120 0.007 0.000 0.312 76 V C -0.805 175.296 176.094 0.011 0.000 1.072 76 V CA -0.354 61.949 62.300 0.005 0.000 0.937 76 V CB 2.131 33.956 31.823 0.002 0.000 1.013 76 V HN 0.579 8.769 8.190 -0.000 0.000 0.430 77 D N 3.486 123.908 120.400 0.037 0.000 2.936 77 D HA 0.619 5.263 4.640 0.007 0.000 0.238 77 D C -1.101 175.268 176.300 0.115 0.000 1.248 77 D CA -0.076 53.966 54.000 0.071 0.000 0.903 77 D CB 2.610 43.474 40.800 0.107 0.000 1.544 77 D HN 0.295 8.665 8.370 -0.000 0.000 0.543 78 I N 1.052 121.702 120.570 0.133 0.000 3.145 78 I HA 0.565 4.739 4.170 0.007 0.000 0.313 78 I C -0.750 175.537 176.117 0.283 0.000 1.122 78 I CA -1.055 60.330 61.300 0.141 0.000 0.987 78 I CB 2.402 40.410 38.000 0.012 0.000 1.236 78 I HN 0.425 8.635 8.210 -0.000 0.000 0.453 83 Y N 1.091 121.362 120.300 -0.048 0.000 2.556 83 Y HA -0.078 4.476 4.550 0.007 0.000 0.290 83 Y C 1.602 177.480 175.900 -0.038 0.000 1.149 83 Y CA 1.057 59.128 58.100 -0.049 0.000 1.329 83 Y CB -0.140 38.296 38.460 -0.039 0.000 0.975 83 Y HN 0.215 8.495 8.280 -0.000 0.000 0.561 84 D N 0.242 120.691 120.400 0.082 0.000 2.403 84 D HA -0.144 4.500 4.640 0.007 0.000 0.227 84 D C 0.548 176.858 176.300 0.016 0.000 0.995 84 D CA 1.135 55.163 54.000 0.045 0.000 0.928 84 D CB -0.168 40.643 40.800 0.019 0.000 0.887 84 D HN 0.600 8.970 8.370 -0.000 0.000 0.529 85 D N -0.473 119.920 120.400 -0.012 0.000 2.323 85 D HA -0.026 4.618 4.640 0.007 0.000 0.209 85 D C 0.412 176.721 176.300 0.015 0.000 0.973 85 D CA 0.310 54.296 54.000 -0.024 0.000 0.874 85 D CB 0.259 41.019 40.800 -0.066 0.000 0.930 85 D HN 0.153 8.523 8.370 -0.000 0.000 0.521 86 C N 2.021 121.345 119.300 0.040 0.000 2.298 86 C HA 0.498 4.962 4.460 0.007 0.000 0.451 86 C C 0.522 175.628 174.990 0.193 0.000 1.028 86 C CA -0.780 58.282 59.018 0.074 0.000 1.324 86 C CB -1.495 26.217 27.740 -0.047 0.000 1.534 86 C HN 0.207 8.437 8.230 -0.000 0.000 0.528 87 R N 1.796 122.400 120.500 0.172 0.000 2.937 87 R HA 0.136 4.481 4.340 0.007 0.000 0.195 87 R C -1.009 175.343 176.300 0.086 0.000 1.522 87 R CA 0.110 56.293 56.100 0.138 0.000 0.947 87 R CB -0.286 30.075 30.300 0.101 0.000 1.503 87 R HN 0.678 8.948 8.270 -0.000 0.000 0.491 88 D N -0.033 120.422 120.400 0.090 0.000 3.074 88 D HA -0.097 4.547 4.640 0.007 0.000 0.207 88 D C -0.790 175.550 176.300 0.066 0.000 1.006 88 D CA 0.962 54.992 54.000 0.051 0.000 0.976 88 D CB -0.404 40.414 40.800 0.030 0.000 1.052 88 D HN 0.527 8.897 8.370 -0.000 0.000 0.448 89 A N 0.469 123.362 122.820 0.123 0.000 2.316 89 A HA 0.432 4.756 4.320 0.007 0.000 0.311 89 A C 0.897 178.590 177.584 0.181 0.000 1.339 89 A CA -0.134 51.983 52.037 0.132 0.000 0.960 89 A CB 0.461 19.545 19.000 0.140 0.000 1.152 89 A HN 0.161 8.311 8.150 -0.000 0.000 0.547 90 D N 0.695 121.159 120.400 0.108 0.000 2.158 90 D HA 0.007 4.651 4.640 0.007 0.000 0.197 90 D C 0.433 176.818 176.300 0.142 0.000 0.995 90 D CA 2.155 56.210 54.000 0.091 0.000 0.846 90 D CB -0.046 40.791 40.800 0.062 0.000 0.941 90 D HN 0.563 8.933 8.370 -0.000 0.000 0.456 91 L N -1.673 119.641 121.223 0.153 0.000 2.612 91 L HA 0.445 4.789 4.340 0.007 0.000 0.256 91 L C -2.013 174.837 176.870 -0.033 0.000 0.949 91 L CA -0.828 54.082 54.840 0.117 0.000 0.867 91 L CB 1.930 44.044 42.059 0.091 0.000 1.417 91 L HN -0.311 7.919 8.230 -0.000 0.000 0.414 92 V N 4.026 123.795 119.914 -0.241 0.000 2.407 92 V HA 0.549 4.673 4.120 0.007 0.000 0.291 92 V C -0.555 175.398 176.094 -0.236 0.000 1.018 92 V CA -0.597 61.460 62.300 -0.405 0.000 0.842 92 V CB 1.639 32.830 31.823 -1.054 0.000 0.996 92 V HN 0.557 8.747 8.190 -0.000 0.000 0.426 93 V N 6.605 126.455 119.914 -0.106 0.000 2.350 93 V HA 0.460 4.585 4.120 0.007 0.000 0.276 93 V C -0.050 176.017 176.094 -0.045 0.000 1.028 93 V CA -0.355 61.898 62.300 -0.078 0.000 0.860 93 V CB 1.370 33.097 31.823 -0.160 0.000 0.990 93 V HN 0.702 8.892 8.190 -0.000 0.000 0.453 94 I N 4.407 125.002 120.570 0.042 0.000 2.297 94 I HA 0.236 4.410 4.170 0.007 0.000 0.291 94 I C 0.578 176.728 176.117 0.056 0.000 1.033 94 I CA 0.145 61.472 61.300 0.044 0.000 1.253 94 I CB 0.880 38.905 38.000 0.042 0.000 1.396 94 I HN 0.606 8.816 8.210 -0.000 0.000 0.476 95 C N 5.362 124.663 119.300 0.001 0.000 2.884 95 C HA 0.513 4.977 4.460 0.007 0.000 0.287 95 C C 1.293 176.298 174.990 0.024 0.000 1.310 95 C CA -0.454 58.571 59.018 0.012 0.000 1.725 95 C CB -1.306 26.427 27.740 -0.012 0.000 2.060 95 C HN 0.799 9.029 8.230 -0.000 0.000 0.618 96 A N 0.628 123.449 122.820 0.001 0.000 2.304 96 A HA 0.785 5.109 4.320 0.007 0.000 0.301 96 A C 0.258 177.876 177.584 0.057 0.000 1.132 96 A CA 0.318 52.343 52.037 -0.020 0.000 0.819 96 A CB 0.317 19.257 19.000 -0.099 0.000 1.094 96 A HN 0.710 8.860 8.150 -0.000 0.000 0.492 97 G N -0.784 108.044 108.800 0.047 0.000 2.473 97 G HA2 0.661 4.625 3.960 0.007 0.000 0.298 97 G HA3 0.661 4.625 3.960 0.007 0.000 0.298 97 G C -0.348 174.580 174.900 0.045 0.000 1.575 97 G CA 0.050 45.202 45.100 0.087 0.000 0.846 97 G HN 1.571 9.861 8.290 -0.000 0.000 0.585 108 D N 0.448 120.851 120.400 0.004 0.000 2.561 108 D HA 0.122 4.766 4.640 0.007 0.000 0.232 108 D C 0.953 177.258 176.300 0.009 0.000 1.198 108 D CA 0.083 54.088 54.000 0.008 0.000 0.826 108 D CB 1.044 41.849 40.800 0.009 0.000 0.992 108 D HN 0.395 8.765 8.370 -0.000 0.000 0.490 109 L N -0.507 120.719 121.223 0.005 0.000 2.775 109 L HA 0.153 4.498 4.340 0.007 0.000 0.175 109 L C 1.933 178.802 176.870 -0.003 0.000 1.110 109 L CA 0.449 55.292 54.840 0.007 0.000 0.862 109 L CB -0.412 41.650 42.059 0.004 0.000 1.381 109 L HN -0.144 8.086 8.230 -0.000 0.000 0.499 110 V N 1.374 121.275 119.914 -0.021 0.000 2.453 110 V HA -0.277 3.847 4.120 0.007 0.000 0.252 110 V C 1.692 177.763 176.094 -0.039 0.000 1.068 110 V CA 2.186 64.456 62.300 -0.050 0.000 1.070 110 V CB -0.786 31.004 31.823 -0.055 0.000 0.664 110 V HN 0.510 8.700 8.190 -0.000 0.000 0.461 111 D N -0.925 119.469 120.400 -0.009 0.000 2.301 111 D HA -0.038 4.606 4.640 0.007 0.000 0.206 111 D C 2.006 178.321 176.300 0.024 0.000 0.979 111 D CA 0.590 54.595 54.000 0.007 0.000 0.874 111 D CB -0.042 40.769 40.800 0.019 0.000 0.968 111 D HN 0.379 8.749 8.370 -0.000 0.000 0.510 112 K N 0.739 121.155 120.400 0.025 0.000 1.984 112 K HA -0.078 4.246 4.320 0.007 0.000 0.209 112 K C 1.692 178.335 176.600 0.071 0.000 1.046 112 K CA 1.059 57.370 56.287 0.040 0.000 0.934 112 K CB 0.149 32.670 32.500 0.034 0.000 0.717 112 K HN -0.150 8.100 8.250 -0.000 0.000 0.438 113 N N 0.824 119.574 118.700 0.084 0.000 2.120 113 N HA -0.131 4.614 4.740 0.007 0.000 0.188 113 N C 1.786 177.431 175.510 0.225 0.000 1.024 113 N CA 1.217 54.370 53.050 0.172 0.000 0.852 113 N CB -0.191 38.364 38.487 0.113 0.000 1.003 113 N HN 0.217 8.597 8.380 -0.000 0.000 0.424 114 I N 0.905 121.523 120.570 0.081 0.000 2.208 114 I HA -0.307 3.867 4.170 0.007 0.000 0.245 114 I C 2.200 178.459 176.117 0.237 0.000 1.097 114 I CA 1.122 62.482 61.300 0.100 0.000 1.363 114 I CB -0.256 37.714 38.000 -0.050 0.000 1.051 114 I HN 0.100 8.310 8.210 -0.000 0.000 0.413 115 A N 1.044 123.946 122.820 0.136 0.000 1.851 115 A HA -0.232 4.092 4.320 0.007 0.000 0.216 115 A C 2.283 179.923 177.584 0.094 0.000 1.195 115 A CA 1.822 53.914 52.037 0.092 0.000 0.622 115 A CB -0.956 18.079 19.000 0.059 0.000 0.831 115 A HN 0.376 8.526 8.150 -0.000 0.000 0.444 116 I N -2.100 118.542 120.570 0.121 0.000 2.091 116 I HA -0.287 3.887 4.170 0.007 0.000 0.239 116 I C 2.361 178.506 176.117 0.048 0.000 1.061 116 I CA 1.832 63.180 61.300 0.079 0.000 1.317 116 I CB -0.518 37.545 38.000 0.106 0.000 1.031 116 I HN 0.327 8.537 8.210 -0.000 0.000 0.401 117 F N 1.017 121.003 119.950 0.060 0.000 2.115 117 F HA -0.310 4.220 4.527 0.006 0.000 0.300 117 F C 2.737 178.618 175.800 0.135 0.000 1.092 117 F CA 2.089 60.151 58.000 0.103 0.000 1.245 117 F CB -0.433 38.634 39.000 0.111 0.000 0.995 117 F HN -0.018 8.282 8.300 -0.000 0.000 0.481 118 R N 0.164 120.811 120.500 0.245 0.000 2.120 118 R HA -0.122 4.222 4.340 0.007 0.000 0.234 118 R C 1.980 178.153 176.300 -0.210 0.000 1.123 118 R CA 1.921 57.916 56.100 -0.175 0.000 0.975 118 R CB -0.491 29.570 30.300 -0.399 0.000 0.866 118 R HN 0.171 8.441 8.270 -0.000 0.000 0.446 119 S N -0.040 115.589 115.700 -0.117 0.000 2.425 119 S HA 0.050 4.524 4.470 0.007 0.000 0.225 119 S C 1.832 176.313 174.600 -0.197 0.000 1.024 119 S CA 0.942 59.051 58.200 -0.153 0.000 0.951 119 S CB -0.135 62.998 63.200 -0.112 0.000 0.796 119 S HN 0.281 8.591 8.310 -0.000 0.000 0.498 120 I N 1.557 122.027 120.570 -0.167 0.000 2.142 120 I HA -0.143 4.032 4.170 0.007 0.000 0.240 120 I C 2.231 178.248 176.117 -0.167 0.000 1.078 120 I CA 0.967 62.152 61.300 -0.192 0.000 1.343 120 I CB -0.808 37.058 38.000 -0.223 0.000 1.046 120 I HN 0.130 8.340 8.210 -0.000 0.000 0.405 121 V N 0.684 120.560 119.914 -0.062 0.000 2.237 121 V HA -0.244 3.880 4.120 0.007 0.000 0.245 121 V C 2.554 178.622 176.094 -0.043 0.000 1.046 121 V CA 1.812 64.109 62.300 -0.006 0.000 1.007 121 V CB -0.769 31.059 31.823 0.008 0.000 0.638 121 V HN 0.378 8.568 8.190 -0.000 0.000 0.445 122 E N 0.666 120.807 120.200 -0.097 0.000 2.095 122 E HA -0.271 4.083 4.350 0.007 0.000 0.212 122 E C 2.455 178.958 176.600 -0.161 0.000 1.044 122 E CA 2.161 58.488 56.400 -0.123 0.000 0.857 122 E CB -0.735 28.864 29.700 -0.168 0.000 0.764 122 E HN 0.588 8.948 8.360 -0.000 0.000 0.462 123 S N 0.347 115.861 115.700 -0.310 0.000 2.374 123 S HA -0.174 4.300 4.470 0.007 0.000 0.227 123 S C 2.259 176.624 174.600 -0.391 0.000 1.037 123 S CA 1.739 59.631 58.200 -0.514 0.000 1.024 123 S CB -0.390 62.144 63.200 -1.110 0.000 0.861 123 S HN 0.361 8.671 8.310 -0.000 0.000 0.456 124 V N -1.246 118.515 119.914 -0.255 0.000 2.649 124 V HA 0.059 4.183 4.120 0.007 0.000 0.248 124 V C 1.974 178.128 176.094 0.099 0.000 1.054 124 V CA 0.859 63.147 62.300 -0.019 0.000 1.073 124 V CB -0.633 31.193 31.823 0.004 0.000 0.699 124 V HN 0.292 8.482 8.190 -0.000 0.000 0.463 125 M N 1.551 121.219 119.600 0.114 0.000 2.132 125 M HA 0.105 4.589 4.480 0.007 0.000 0.263 125 M C 2.293 178.662 176.300 0.116 0.000 1.065 125 M CA 2.100 57.513 55.300 0.189 0.000 1.122 125 M CB -1.288 31.398 32.600 0.143 0.000 1.365 125 M HN 0.543 8.833 8.290 -0.000 0.000 0.411 126 A N 0.266 123.108 122.820 0.036 0.000 2.258 126 A HA 0.034 4.358 4.320 0.007 0.000 0.206 126 A C 1.914 179.523 177.584 0.043 0.000 1.222 126 A CA 1.300 53.348 52.037 0.019 0.000 0.822 126 A CB -0.784 18.199 19.000 -0.028 0.000 0.804 126 A HN 0.587 8.737 8.150 -0.000 0.000 0.483 127 S N -2.509 113.241 115.700 0.083 0.000 2.559 127 S HA 0.420 4.895 4.470 0.007 0.000 0.226 127 S C 1.140 175.808 174.600 0.113 0.000 1.000 127 S CA 0.815 59.073 58.200 0.097 0.000 0.948 127 S CB -0.143 63.130 63.200 0.121 0.000 0.870 127 S HN 1.833 10.143 8.310 -0.000 0.000 0.497 128 G N 1.586 110.462 108.800 0.128 0.000 2.212 128 G HA2 -0.261 3.703 3.960 0.007 0.000 0.255 128 G HA3 -0.261 3.703 3.960 0.007 0.000 0.255 128 G C -0.237 174.765 174.900 0.171 0.000 1.062 128 G CA -0.129 45.041 45.100 0.118 0.000 0.815 128 G HN 0.662 8.952 8.290 -0.000 0.000 0.497 129 F N 0.454 120.442 119.950 0.064 0.000 2.595 129 F HA 0.408 4.938 4.527 0.005 0.000 0.359 129 F C 1.215 177.059 175.800 0.073 0.000 1.147 129 F CA 0.704 58.745 58.000 0.070 0.000 1.341 129 F CB 0.697 39.762 39.000 0.109 0.000 1.104 129 F HN 0.282 8.582 8.300 -0.000 0.000 0.603 130 Q N 3.639 123.073 119.800 -0.610 0.000 2.086 130 Q HA 0.286 4.630 4.340 0.007 0.000 0.220 130 Q C 0.562 176.056 176.000 -0.844 0.000 0.792 130 Q CA -0.006 55.465 55.803 -0.553 0.000 1.062 130 Q CB 1.154 29.743 28.738 -0.249 0.000 1.198 130 Q HN 0.878 9.148 8.270 -0.000 0.000 0.466 131 G N 0.280 107.998 108.800 -1.804 0.000 3.194 131 G HA2 0.671 4.635 3.960 0.007 0.000 0.160 131 G HA3 0.671 4.635 3.960 0.007 0.000 0.160 131 G C -0.691 174.062 174.900 -0.246 0.000 1.267 131 G CA -0.517 44.094 45.100 -0.814 0.000 0.962 131 G HN 0.064 8.354 8.290 -0.000 0.000 0.612 132 L N -0.256 121.073 121.223 0.176 0.000 2.333 132 L HA 0.553 4.897 4.340 0.007 0.000 0.269 132 L C -1.251 175.792 176.870 0.287 0.000 1.010 132 L CA -0.665 54.339 54.840 0.274 0.000 0.818 132 L CB 2.280 44.434 42.059 0.157 0.000 1.306 132 L HN 0.252 8.482 8.230 -0.000 0.000 0.430 133 F N 2.094 122.205 119.950 0.268 0.000 2.421 133 F HA 0.467 4.999 4.527 0.009 0.000 0.337 133 F C -0.185 175.678 175.800 0.105 0.000 1.105 133 F CA -0.454 57.650 58.000 0.172 0.000 1.049 133 F CB 1.727 40.828 39.000 0.168 0.000 1.139 133 F HN 0.148 8.448 8.300 -0.000 0.000 0.479 134 L N 5.029 126.365 121.223 0.188 0.000 2.324 134 L HA 0.577 4.921 4.340 0.007 0.000 0.274 134 L C -1.171 175.762 176.870 0.106 0.000 1.012 134 L CA -0.416 54.487 54.840 0.105 0.000 0.859 134 L CB 0.966 43.042 42.059 0.027 0.000 1.224 134 L HN 0.325 8.555 8.230 -0.000 0.000 0.429 135 V N 4.780 124.761 119.914 0.112 0.000 2.465 135 V HA 0.610 4.734 4.120 0.007 0.000 0.279 135 V C 0.883 176.989 176.094 0.021 0.000 1.045 135 V CA 0.328 62.698 62.300 0.117 0.000 0.938 135 V CB 1.154 33.028 31.823 0.086 0.000 0.986 135 V HN 0.888 9.078 8.190 -0.000 0.000 0.467 136 A N 3.091 125.928 122.820 0.027 0.000 2.551 136 A HA 0.333 4.657 4.320 0.007 0.000 0.252 136 A C 0.853 178.436 177.584 -0.000 0.000 1.199 136 A CA -0.072 51.946 52.037 -0.032 0.000 0.972 136 A CB 0.219 19.175 19.000 -0.073 0.000 1.153 136 A HN 0.649 8.799 8.150 -0.000 0.000 0.559 137 T N 2.019 116.611 114.554 0.064 0.000 2.907 137 T HA 0.253 4.607 4.350 0.007 0.000 0.298 137 T C 0.097 174.805 174.700 0.014 0.000 1.017 137 T CA 0.065 62.221 62.100 0.093 0.000 1.118 137 T CB 0.357 69.404 68.868 0.299 0.000 0.948 137 T HN 0.477 8.717 8.240 -0.000 0.000 0.531 138 N N 3.505 122.223 118.700 0.029 0.000 2.513 138 N HA 0.303 5.047 4.740 0.007 0.000 0.274 138 N C -2.492 173.000 175.510 -0.030 0.000 1.189 138 N CA -1.339 51.718 53.050 0.011 0.000 0.975 138 N CB 0.596 39.115 38.487 0.054 0.000 1.157 138 N HN 0.365 8.745 8.380 -0.000 0.000 0.465 139 P HA 0.029 4.449 4.420 -0.000 0.000 0.288 139 P C 0.722 177.971 177.300 -0.085 0.000 1.363 139 P CA -0.214 62.861 63.100 -0.042 0.000 0.837 139 P CB 1.349 33.021 31.700 -0.046 0.000 0.981 140 V N 4.224 124.104 119.914 -0.057 0.000 2.278 140 V HA -0.323 3.801 4.120 0.007 0.000 0.251 140 V C 1.373 177.391 176.094 -0.126 0.000 1.062 140 V CA 2.664 64.899 62.300 -0.110 0.000 1.038 140 V CB -0.927 30.830 31.823 -0.111 0.000 0.646 140 V HN 0.378 8.568 8.190 -0.000 0.000 0.447 141 D N -0.240 120.117 120.400 -0.071 0.000 2.178 141 D HA -0.118 4.526 4.640 0.007 0.000 0.201 141 D C 1.991 178.248 176.300 -0.072 0.000 0.980 141 D CA 1.808 55.782 54.000 -0.044 0.000 0.842 141 D CB -0.152 40.643 40.800 -0.009 0.000 0.948 141 D HN 0.555 8.925 8.370 -0.000 0.000 0.472 142 I N 0.100 120.602 120.570 -0.113 0.000 2.277 142 I HA -0.135 4.039 4.170 0.007 0.000 0.243 142 I C 1.978 177.959 176.117 -0.226 0.000 1.094 142 I CA 0.691 61.909 61.300 -0.137 0.000 1.393 142 I CB -0.020 37.891 38.000 -0.150 0.000 1.078 142 I HN 0.017 8.227 8.210 -0.000 0.000 0.417 143 L N 0.038 121.056 121.223 -0.342 0.000 2.291 143 L HA -0.122 4.222 4.340 0.007 0.000 0.214 143 L C 2.429 178.972 176.870 -0.545 0.000 1.120 143 L CA 1.062 55.524 54.840 -0.630 0.000 0.799 143 L CB -0.654 40.856 42.059 -0.915 0.000 0.925 143 L HN 0.255 8.485 8.230 -0.000 0.000 0.446 144 T N -1.521 112.808 114.554 -0.375 0.000 2.857 144 T HA -0.209 4.145 4.350 0.007 0.000 0.266 144 T C 1.653 176.018 174.700 -0.558 0.000 1.048 144 T CA 1.004 62.846 62.100 -0.430 0.000 1.139 144 T CB -0.265 68.341 68.868 -0.437 0.000 0.874 144 T HN 0.309 8.549 8.240 -0.000 0.000 0.455 145 Y N 2.129 122.143 120.300 -0.476 0.000 2.200 145 Y HA 0.074 4.628 4.550 0.007 0.000 0.290 145 Y C 2.481 178.349 175.900 -0.053 0.000 1.137 145 Y CA 0.802 58.804 58.100 -0.162 0.000 1.163 145 Y CB -0.557 37.977 38.460 0.125 0.000 0.988 145 Y HN 0.171 8.451 8.280 -0.000 0.000 0.518 146 A N -1.208 121.518 122.820 -0.155 0.000 1.969 146 A HA -0.126 4.198 4.320 0.007 0.000 0.218 146 A C 2.220 179.358 177.584 -0.744 0.000 1.169 146 A CA 1.988 53.665 52.037 -0.599 0.000 0.635 146 A CB -1.152 17.394 19.000 -0.757 0.000 0.810 146 A HN 0.468 8.618 8.150 -0.000 0.000 0.445 147 T N -1.938 112.394 114.554 -0.370 0.000 2.942 147 T HA -0.100 4.254 4.350 0.007 0.000 0.265 147 T C 1.400 176.001 174.700 -0.165 0.000 1.062 147 T CA 1.306 63.287 62.100 -0.197 0.000 1.139 147 T CB -0.227 68.576 68.868 -0.109 0.000 0.883 147 T HN 0.771 9.011 8.240 -0.000 0.000 0.468 148 W N 2.249 123.340 121.300 -0.348 0.000 2.444 148 W HA 0.067 4.732 4.660 0.007 0.000 0.308 148 W C 1.914 178.326 176.519 -0.178 0.000 1.183 148 W CA 0.707 57.917 57.345 -0.224 0.000 1.340 148 W CB -0.266 29.093 29.460 -0.169 0.000 1.138 148 W HN -0.119 8.061 8.180 -0.000 0.000 0.510 149 K N 0.205 120.378 120.400 -0.380 0.000 2.020 149 K HA -0.179 4.145 4.320 0.007 0.000 0.212 149 K C 1.854 178.412 176.600 -0.071 0.000 1.050 149 K CA 1.744 57.778 56.287 -0.421 0.000 0.929 149 K CB -1.503 30.897 32.500 -0.167 0.000 0.714 149 K HN 0.184 8.434 8.250 -0.000 0.000 0.443 150 F N 1.284 121.177 119.950 -0.094 0.000 2.451 150 F HA -0.091 4.440 4.527 0.007 0.000 0.299 150 F C 2.577 178.305 175.800 -0.120 0.000 1.101 150 F CA 0.931 58.882 58.000 -0.081 0.000 1.436 150 F CB -1.344 37.623 39.000 -0.056 0.000 1.074 150 F HN 0.083 8.383 8.300 -0.000 0.000 0.553 151 S N -0.820 114.884 115.700 0.006 0.000 2.388 151 S HA 0.304 4.778 4.470 0.007 0.000 0.223 151 S C 2.141 176.750 174.600 0.016 0.000 1.034 151 S CA 1.065 59.245 58.200 -0.034 0.000 0.963 151 S CB -0.067 63.060 63.200 -0.121 0.000 0.827 151 S HN 0.490 8.800 8.310 -0.000 0.000 0.481 152 G N 1.435 110.202 108.800 -0.055 0.000 2.399 152 G HA2 -0.220 3.744 3.960 0.007 0.000 0.216 152 G HA3 -0.220 3.744 3.960 0.007 0.000 0.216 152 G C 0.096 174.979 174.900 -0.028 0.000 1.096 152 G CA -0.083 44.974 45.100 -0.072 0.000 0.650 152 G HN 0.589 8.879 8.290 -0.000 0.000 0.512 153 L N 3.110 124.381 121.223 0.080 0.000 2.667 153 L HA 0.135 4.479 4.340 0.007 0.000 0.296 153 L C -1.463 175.582 176.870 0.291 0.000 1.252 153 L CA -0.652 54.291 54.840 0.172 0.000 0.891 153 L CB 0.060 42.261 42.059 0.236 0.000 1.141 153 L HN 0.139 8.369 8.230 -0.000 0.000 0.501 154 P HA -0.113 4.307 4.420 -0.000 0.000 0.263 154 P C 0.264 177.638 177.300 0.124 0.000 1.175 154 P CA 0.178 63.368 63.100 0.149 0.000 0.761 154 P CB 0.267 31.961 31.700 -0.009 0.000 0.794 155 H N 2.102 121.200 119.070 0.047 0.000 2.568 155 H HA -0.008 4.552 4.556 0.007 0.000 0.275 155 H C -0.077 175.168 175.328 -0.140 0.000 1.028 155 H CA 0.766 56.597 56.048 -0.361 0.000 1.173 155 H CB -0.104 28.973 29.762 -1.142 0.000 1.335 155 H HN 0.378 8.658 8.280 -0.000 0.000 0.614 156 E N 0.889 120.832 120.200 -0.427 0.000 2.460 156 E HA 0.114 4.469 4.350 0.007 0.000 0.200 156 E C 1.437 178.015 176.600 -0.036 0.000 1.011 156 E CA 0.083 56.347 56.400 -0.227 0.000 0.912 156 E CB 0.390 29.951 29.700 -0.233 0.000 0.953 156 E HN 0.521 8.881 8.360 -0.000 0.000 0.494 157 R N 0.075 120.584 120.500 0.015 0.000 2.397 157 R HA 0.285 4.629 4.340 0.007 0.000 0.241 157 R C -0.334 176.096 176.300 0.216 0.000 0.914 157 R CA 0.009 56.175 56.100 0.109 0.000 1.071 157 R CB 1.087 31.451 30.300 0.108 0.000 1.116 157 R HN -0.101 8.169 8.270 -0.000 0.000 0.524 158 V N 2.918 122.957 119.914 0.208 0.000 2.304 158 V HA 0.372 4.497 4.120 0.007 0.000 0.278 158 V C -0.346 175.873 176.094 0.207 0.000 1.018 158 V CA -0.608 61.833 62.300 0.234 0.000 0.814 158 V CB 1.473 33.409 31.823 0.188 0.000 1.021 158 V HN 0.156 8.346 8.190 -0.000 0.000 0.440 159 I N 3.922 124.599 120.570 0.179 0.000 2.354 159 I HA 0.570 4.744 4.170 0.007 0.000 0.292 159 I C 1.018 177.181 176.117 0.078 0.000 0.989 159 I CA -0.307 61.081 61.300 0.146 0.000 1.188 159 I CB 1.713 39.786 38.000 0.122 0.000 1.342 159 I HN 0.641 8.851 8.210 -0.000 0.000 0.457 160 G N 2.582 111.415 108.800 0.055 0.000 2.444 160 G HA2 0.197 4.161 3.960 0.007 0.000 0.268 160 G HA3 0.197 4.161 3.960 0.007 0.000 0.268 160 G C 0.903 175.799 174.900 -0.007 0.000 1.203 160 G CA -0.192 44.906 45.100 -0.003 0.000 0.835 160 G HN 0.704 8.994 8.290 -0.000 0.000 0.543 161 S N 2.014 117.683 115.700 -0.052 0.000 2.374 161 S HA -0.016 4.458 4.470 0.007 0.000 0.227 161 S C 2.185 176.718 174.600 -0.111 0.000 1.037 161 S CA 1.955 60.102 58.200 -0.088 0.000 1.024 161 S CB -1.008 62.116 63.200 -0.126 0.000 0.861 161 S HN 2.242 10.552 8.310 -0.000 0.000 0.456 162 G N 0.638 109.358 108.800 -0.133 0.000 2.684 162 G HA2 -0.416 3.548 3.960 0.007 0.000 0.332 162 G HA3 -0.416 3.548 3.960 0.007 0.000 0.332 162 G C 0.746 175.588 174.900 -0.096 0.000 1.306 162 G CA 1.840 46.881 45.100 -0.098 0.000 1.002 162 G HN 1.499 9.789 8.290 -0.000 0.000 0.545 163 T N -0.831 113.721 114.554 -0.003 0.000 3.312 163 T HA 0.553 4.908 4.350 0.007 0.000 0.251 163 T C 1.979 176.713 174.700 0.057 0.000 1.012 163 T CA 0.727 62.867 62.100 0.067 0.000 0.925 163 T CB 0.191 69.086 68.868 0.046 0.000 1.049 163 T HN 0.575 8.815 8.240 -0.000 0.000 0.583 164 I N 0.296 120.874 120.570 0.013 0.000 2.202 164 I HA -0.046 4.128 4.170 0.007 0.000 0.242 164 I C 2.098 178.255 176.117 0.068 0.000 1.091 164 I CA 1.008 62.331 61.300 0.038 0.000 1.368 164 I CB 0.023 38.032 38.000 0.016 0.000 1.058 164 I HN 0.360 8.570 8.210 -0.000 0.000 0.410 165 L N 0.830 122.086 121.223 0.054 0.000 2.093 165 L HA -0.207 4.137 4.340 0.007 0.000 0.208 165 L C 1.661 178.601 176.870 0.118 0.000 1.085 165 L CA 1.992 56.880 54.840 0.079 0.000 0.755 165 L CB -0.838 41.258 42.059 0.061 0.000 0.904 165 L HN 0.208 8.438 8.230 -0.000 0.000 0.435 166 D N -0.668 119.815 120.400 0.139 0.000 2.087 166 D HA -0.196 4.448 4.640 0.007 0.000 0.192 166 D C 2.019 178.408 176.300 0.149 0.000 0.993 166 D CA 2.179 56.256 54.000 0.128 0.000 0.828 166 D CB -0.420 40.453 40.800 0.122 0.000 0.968 166 D HN 0.335 8.705 8.370 -0.000 0.000 0.448 167 T N 0.133 114.785 114.554 0.164 0.000 2.737 167 T HA -0.219 4.135 4.350 0.007 0.000 0.269 167 T C 1.971 176.823 174.700 0.253 0.000 1.040 167 T CA 1.464 63.709 62.100 0.242 0.000 1.142 167 T CB -0.430 68.572 68.868 0.223 0.000 0.861 167 T HN 0.230 8.470 8.240 -0.000 0.000 0.456 168 A N 1.302 124.237 122.820 0.192 0.000 1.897 168 A HA -0.010 4.314 4.320 0.007 0.000 0.215 168 A C 2.366 180.089 177.584 0.232 0.000 1.181 168 A CA 1.192 53.335 52.037 0.176 0.000 0.620 168 A CB -0.433 18.639 19.000 0.121 0.000 0.821 168 A HN 0.368 8.518 8.150 -0.000 0.000 0.443 169 R N -2.241 118.398 120.500 0.231 0.000 2.148 169 R HA -0.030 4.314 4.340 0.007 0.000 0.227 169 R C 1.807 178.328 176.300 0.369 0.000 1.103 169 R CA 1.274 57.534 56.100 0.266 0.000 0.983 169 R CB -0.257 30.153 30.300 0.183 0.000 0.874 169 R HN 0.583 8.853 8.270 -0.000 0.000 0.451 170 F N 1.087 121.117 119.950 0.135 0.000 2.123 170 F HA 0.032 4.562 4.527 0.006 0.000 0.289 170 F C 2.047 177.882 175.800 0.059 0.000 1.099 170 F CA 1.065 59.115 58.000 0.083 0.000 1.234 170 F CB -0.266 38.748 39.000 0.024 0.000 1.034 170 F HN -0.249 8.051 8.300 -0.000 0.000 0.479 171 R N -0.588 119.996 120.500 0.141 0.000 2.113 171 R HA -0.255 4.089 4.340 0.007 0.000 0.244 171 R C 2.289 178.606 176.300 0.028 0.000 1.142 171 R CA 2.181 58.268 56.100 -0.022 0.000 0.953 171 R CB -1.300 29.017 30.300 0.027 0.000 0.860 171 R HN 0.385 8.655 8.270 -0.000 0.000 0.438 172 F N 1.752 121.719 119.950 0.028 0.000 2.008 172 F HA -0.304 4.227 4.527 0.007 0.000 0.297 172 F C 2.170 178.009 175.800 0.066 0.000 1.156 172 F CA 1.792 59.819 58.000 0.045 0.000 1.191 172 F CB -0.502 38.532 39.000 0.057 0.000 0.955 172 F HN -0.094 8.206 8.300 -0.000 0.000 0.497 173 L N 0.116 121.221 121.223 -0.196 0.000 2.034 173 L HA -0.329 4.015 4.340 0.007 0.000 0.217 173 L C 2.573 179.370 176.870 -0.122 0.000 1.077 173 L CA 1.810 56.535 54.840 -0.192 0.000 0.769 173 L CB -1.150 40.965 42.059 0.094 0.000 0.890 173 L HN 0.380 8.610 8.230 -0.000 0.000 0.435 174 L N -0.475 120.695 121.223 -0.089 0.000 1.994 174 L HA -0.145 4.199 4.340 0.007 0.000 0.208 174 L C 2.719 179.680 176.870 0.153 0.000 1.071 174 L CA 1.557 56.401 54.840 0.007 0.000 0.745 174 L CB -1.113 40.801 42.059 -0.242 0.000 0.892 174 L HN 0.333 8.563 8.230 -0.000 0.000 0.431 175 G N -0.661 108.114 108.800 -0.043 0.000 2.432 175 G HA2 -0.321 3.643 3.960 0.007 0.000 0.219 175 G HA3 -0.321 3.643 3.960 0.007 0.000 0.219 175 G C 1.449 176.342 174.900 -0.011 0.000 1.135 175 G CA 0.945 46.027 45.100 -0.030 0.000 0.767 175 G HN 0.344 8.634 8.290 -0.000 0.000 0.550 176 E N -0.246 119.859 120.200 -0.159 0.000 2.072 176 E HA -0.139 4.215 4.350 0.007 0.000 0.191 176 E C 1.962 178.534 176.600 -0.047 0.000 0.985 176 E CA 0.854 57.115 56.400 -0.231 0.000 0.801 176 E CB -0.544 28.808 29.700 -0.579 0.000 0.750 176 E HN 0.503 8.863 8.360 -0.000 0.000 0.452 177 Y N -0.315 119.932 120.300 -0.089 0.000 2.049 177 Y HA -0.210 4.344 4.550 0.006 0.000 0.277 177 Y C 1.812 177.656 175.900 -0.093 0.000 1.143 177 Y CA 2.289 60.340 58.100 -0.083 0.000 1.115 177 Y CB -0.524 37.916 38.460 -0.034 0.000 0.975 177 Y HN 0.092 8.372 8.280 -0.000 0.000 0.487 178 F N -0.438 119.591 119.950 0.132 0.000 2.502 178 F HA -0.032 4.499 4.527 0.007 0.000 0.298 178 F C 1.972 177.756 175.800 -0.027 0.000 1.111 178 F CA 1.311 59.345 58.000 0.057 0.000 1.445 178 F CB -0.253 38.804 39.000 0.096 0.000 1.081 178 F HN 0.037 8.337 8.300 -0.000 0.000 0.558 179 S N -1.602 114.169 115.700 0.118 0.000 2.596 179 S HA -0.168 4.306 4.470 0.007 0.000 0.260 179 S C 0.675 175.304 174.600 0.047 0.000 1.282 179 S CA 0.496 58.719 58.200 0.038 0.000 1.357 179 S CB -1.943 61.260 63.200 0.004 0.000 1.674 179 S HN 0.239 8.549 8.310 -0.000 0.000 0.641 180 V N -0.369 119.587 119.914 0.071 0.000 3.781 180 V HA 0.895 5.019 4.120 0.007 0.000 0.271 180 V C 0.617 176.721 176.094 0.016 0.000 0.951 180 V CA -0.171 62.148 62.300 0.033 0.000 0.896 180 V CB 0.548 32.379 31.823 0.013 0.000 1.224 180 V HN 0.866 9.056 8.190 -0.000 0.000 0.403 181 A N -0.616 122.204 122.820 0.001 0.000 2.324 181 A HA 0.765 5.089 4.320 0.007 0.000 0.330 181 A C -1.544 176.029 177.584 -0.019 0.000 1.165 181 A CA -1.765 50.279 52.037 0.010 0.000 0.813 181 A CB 0.937 19.948 19.000 0.019 0.000 1.197 181 A HN 0.710 8.860 8.150 -0.000 0.000 0.484 182 P HA -0.187 4.233 4.420 -0.000 0.000 0.218 182 P C 1.120 178.386 177.300 -0.056 0.000 1.146 182 P CA 1.160 64.257 63.100 -0.004 0.000 0.813 182 P CB 0.249 32.016 31.700 0.113 0.000 0.778 183 Q N -0.920 118.865 119.800 -0.024 0.000 2.364 183 Q HA -0.057 4.287 4.340 0.007 0.000 0.207 183 Q C 1.223 177.184 176.000 -0.066 0.000 0.970 183 Q CA 1.125 56.920 55.803 -0.012 0.000 0.888 183 Q CB -0.662 28.092 28.738 0.027 0.000 0.951 183 Q HN 0.549 8.819 8.270 -0.000 0.000 0.469 184 N N -0.802 117.808 118.700 -0.150 0.000 2.282 184 N HA 0.051 4.796 4.740 0.007 0.000 0.185 184 N C -0.267 174.858 175.510 -0.643 0.000 1.099 184 N CA -0.218 52.687 53.050 -0.242 0.000 0.878 184 N CB 0.998 39.434 38.487 -0.085 0.000 0.993 184 N HN -0.120 8.260 8.380 -0.000 0.000 0.481 185 V N 2.696 122.293 119.914 -0.528 0.000 2.508 185 V HA 0.020 4.144 4.120 0.007 0.000 0.281 185 V C -0.224 175.407 176.094 -0.771 0.000 1.041 185 V CA -0.009 61.951 62.300 -0.566 0.000 1.016 185 V CB 0.276 31.876 31.823 -0.372 0.000 0.984 185 V HN 0.322 8.512 8.190 -0.000 0.000 0.478 186 H N 4.191 123.148 119.070 -0.188 0.000 2.725 186 H HA 0.736 5.295 4.556 0.005 0.000 0.283 186 H C -0.101 174.995 175.328 -0.385 0.000 1.110 186 H CA -0.198 55.709 56.048 -0.234 0.000 1.289 186 H CB 1.447 31.128 29.762 -0.136 0.000 1.400 186 H HN 0.755 9.036 8.280 -0.000 0.000 0.493 187 A N 3.695 126.314 122.820 -0.335 0.000 2.459 187 A HA 0.543 4.867 4.320 0.007 0.000 0.296 187 A C -1.532 175.997 177.584 -0.092 0.000 1.039 187 A CA -0.665 51.187 52.037 -0.309 0.000 0.698 187 A CB 1.372 20.106 19.000 -0.444 0.000 1.261 187 A HN 0.556 8.706 8.150 -0.000 0.000 0.405 188 Y N 1.332 121.680 120.300 0.081 0.000 2.387 188 Y HA 0.608 5.161 4.550 0.005 0.000 0.330 188 Y C 0.235 176.103 175.900 -0.052 0.000 1.133 188 Y CA -0.745 57.389 58.100 0.057 0.000 1.152 188 Y CB 1.877 40.352 38.460 0.024 0.000 1.215 188 Y HN 0.496 8.776 8.280 -0.000 0.000 0.466 189 I N 4.902 125.535 120.570 0.104 0.000 2.378 189 I HA 0.373 4.547 4.170 0.007 0.000 0.291 189 I C -0.431 175.663 176.117 -0.039 0.000 0.992 189 I CA -0.537 60.689 61.300 -0.124 0.000 1.154 189 I CB 1.090 38.965 38.000 -0.209 0.000 1.315 189 I HN 0.489 8.699 8.210 -0.000 0.000 0.448 190 I N 3.046 123.577 120.570 -0.065 0.000 3.206 190 I HA 1.042 5.216 4.170 0.007 0.000 0.313 190 I C 0.368 176.425 176.117 -0.099 0.000 1.103 190 I CA -0.498 60.784 61.300 -0.030 0.000 0.985 190 I CB 1.979 40.007 38.000 0.047 0.000 1.240 190 I HN 0.691 8.901 8.210 -0.000 0.000 0.464 191 G N 1.889 110.567 108.800 -0.203 0.000 2.545 191 G HA2 -0.180 3.784 3.960 0.007 0.000 0.216 191 G HA3 -0.180 3.784 3.960 0.007 0.000 0.216 191 G C -0.652 174.102 174.900 -0.243 0.000 1.314 191 G CA 0.103 44.958 45.100 -0.408 0.000 0.906 191 G HN 1.170 9.460 8.290 -0.000 0.000 0.563 192 E N 0.151 120.226 120.200 -0.208 0.000 2.344 192 E HA 0.304 4.658 4.350 0.007 0.000 0.270 192 E C 0.363 176.939 176.600 -0.040 0.000 1.021 192 E CA -0.238 56.095 56.400 -0.113 0.000 0.887 192 E CB 0.218 29.859 29.700 -0.099 0.000 0.997 192 E HN 0.732 9.092 8.360 -0.000 0.000 0.429 193 H N 4.280 123.303 119.070 -0.079 0.000 3.330 193 H HA 0.329 4.890 4.556 0.007 0.000 0.260 193 H C -0.042 175.259 175.328 -0.044 0.000 1.439 193 H CA 1.016 57.032 56.048 -0.053 0.000 1.540 193 H CB -0.212 29.523 29.762 -0.046 0.000 1.698 193 H HN 0.643 8.923 8.280 -0.000 0.000 0.516 194 G N 3.077 111.712 108.800 -0.274 0.000 2.441 194 G HA2 -0.113 3.851 3.960 0.007 0.000 0.225 194 G HA3 -0.113 3.851 3.960 0.007 0.000 0.225 194 G C -0.088 174.756 174.900 -0.092 0.000 1.200 194 G CA -0.020 44.949 45.100 -0.218 0.000 0.947 194 G HN 0.400 8.690 8.290 -0.000 0.000 0.484 195 D N 0.511 120.898 120.400 -0.022 0.000 2.117 195 D HA -0.094 4.550 4.640 0.007 0.000 0.197 195 D C 2.628 178.950 176.300 0.035 0.000 0.987 195 D CA 2.287 56.302 54.000 0.026 0.000 0.829 195 D CB -0.242 40.583 40.800 0.040 0.000 0.961 195 D HN 0.523 8.893 8.370 -0.000 0.000 0.460 196 T N -0.610 113.958 114.554 0.023 0.000 3.160 196 T HA -0.050 4.304 4.350 0.007 0.000 0.257 196 T C 0.854 175.551 174.700 -0.005 0.000 1.147 196 T CA -0.201 61.926 62.100 0.044 0.000 1.064 196 T CB -0.183 68.749 68.868 0.106 0.000 0.949 196 T HN 0.267 8.507 8.240 -0.000 0.000 0.526 197 E N 2.096 122.287 120.200 -0.014 0.000 2.409 197 E HA 0.387 4.741 4.350 0.007 0.000 0.257 197 E C -0.162 176.399 176.600 -0.064 0.000 1.150 197 E CA -0.803 55.564 56.400 -0.055 0.000 0.942 197 E CB 0.668 30.348 29.700 -0.033 0.000 0.979 197 E HN 0.625 8.985 8.360 -0.000 0.000 0.447 198 L N -2.089 119.026 121.223 -0.179 0.000 2.409 198 L HA 0.660 5.004 4.340 0.007 0.000 0.262 198 L C -2.771 173.780 176.870 -0.532 0.000 0.992 198 L CA -2.703 51.924 54.840 -0.355 0.000 0.817 198 L CB 2.511 44.471 42.059 -0.165 0.000 1.350 198 L HN 0.356 8.586 8.230 -0.000 0.000 0.411 199 P HA 0.133 4.553 4.420 -0.000 0.000 0.287 199 P C -0.434 176.529 177.300 -0.561 0.000 1.281 199 P CA -0.265 62.217 63.100 -1.030 0.000 0.781 199 P CB 1.867 32.482 31.700 -1.809 0.000 0.903 200 V N 5.272 125.007 119.914 -0.298 0.000 2.242 200 V HA 0.007 4.131 4.120 0.007 0.000 0.242 200 V C 1.219 177.276 176.094 -0.062 0.000 1.240 200 V CA 0.118 62.372 62.300 -0.077 0.000 1.211 200 V CB -1.404 30.442 31.823 0.039 0.000 1.338 200 V HN 0.662 8.852 8.190 -0.000 0.000 0.499 201 W N 1.995 123.293 121.300 -0.003 0.000 2.409 201 W HA -0.181 4.484 4.660 0.008 0.000 0.299 201 W C 2.776 179.270 176.519 -0.042 0.000 1.203 201 W CA 1.286 58.630 57.345 -0.001 0.000 1.298 201 W CB -0.331 29.134 29.460 0.009 0.000 1.127 201 W HN 0.646 8.826 8.180 -0.000 0.000 0.528 202 S N 0.466 116.292 115.700 0.211 0.000 2.380 202 S HA -0.277 4.198 4.470 0.007 0.000 0.229 202 S C 1.153 175.792 174.600 0.064 0.000 1.043 202 S CA 1.426 59.702 58.200 0.127 0.000 1.038 202 S CB -0.493 62.772 63.200 0.108 0.000 0.872 202 S HN 0.432 8.742 8.310 -0.000 0.000 0.456 203 Q N 1.222 121.013 119.800 -0.015 0.000 2.824 203 Q HA 0.648 4.992 4.340 0.007 0.000 0.371 203 Q C -0.914 174.725 176.000 -0.602 0.000 1.071 203 Q CA -0.195 55.496 55.803 -0.186 0.000 1.064 203 Q CB 1.146 29.875 28.738 -0.014 0.000 1.332 203 Q HN 0.603 8.873 8.270 -0.000 0.000 0.445 204 A N 1.387 123.775 122.820 -0.720 0.000 2.357 204 A HA 0.690 5.014 4.320 0.007 0.000 0.295 204 A C -1.495 175.667 177.584 -0.704 0.000 1.121 204 A CA -0.365 51.296 52.037 -0.627 0.000 0.742 204 A CB 0.548 19.406 19.000 -0.237 0.000 1.181 204 A HN 0.433 8.584 8.150 -0.000 0.000 0.454 205 Y N 0.715 120.973 120.300 -0.070 0.000 2.659 205 Y HA 0.701 5.254 4.550 0.006 0.000 0.333 205 Y C 0.083 175.893 175.900 -0.149 0.000 1.064 205 Y CA -1.117 56.948 58.100 -0.058 0.000 1.141 205 Y CB 2.056 40.529 38.460 0.021 0.000 1.316 205 Y HN 0.449 8.729 8.280 -0.000 0.000 0.509 206 I N 1.835 122.413 120.570 0.013 0.000 2.495 206 I HA 0.419 4.593 4.170 0.007 0.000 0.277 206 I C 0.495 176.638 176.117 0.043 0.000 1.045 206 I CA -0.001 61.220 61.300 -0.131 0.000 1.135 206 I CB 0.737 38.532 38.000 -0.341 0.000 1.241 206 I HN 0.989 9.199 8.210 -0.000 0.000 0.469 207 G N 4.777 113.691 108.800 0.191 0.000 2.720 207 G HA2 -0.310 3.654 3.960 0.007 0.000 0.293 207 G HA3 -0.310 3.654 3.960 0.007 0.000 0.293 207 G C 0.602 175.620 174.900 0.197 0.000 1.256 207 G CA 0.581 45.829 45.100 0.246 0.000 0.974 207 G HN 0.901 9.191 8.290 -0.000 0.000 0.551 208 V N -2.642 117.307 119.914 0.058 0.000 3.432 208 V HA 0.766 4.890 4.120 0.007 0.000 0.298 208 V C 0.879 176.922 176.094 -0.085 0.000 1.464 208 V CA 1.223 63.471 62.300 -0.087 0.000 1.046 208 V CB 0.902 32.660 31.823 -0.108 0.000 0.887 208 V HN 0.779 8.969 8.190 -0.000 0.000 0.441 209 M N 3.139 122.758 119.600 0.032 0.000 2.135 209 M HA 0.596 5.080 4.480 0.007 0.000 0.345 209 M C -2.544 173.858 176.300 0.169 0.000 1.340 209 M CA -2.265 53.069 55.300 0.057 0.000 1.162 209 M CB 0.607 33.236 32.600 0.047 0.000 1.570 209 M HN 0.027 8.317 8.290 -0.000 0.000 0.454 210 P HA 0.018 4.438 4.420 -0.000 0.000 0.272 210 P C -0.494 176.911 177.300 0.174 0.000 1.243 210 P CA 0.259 63.582 63.100 0.372 0.000 0.803 210 P CB 0.366 32.231 31.700 0.274 0.000 0.974 211 I N 1.717 122.366 120.570 0.132 0.000 2.191 211 I HA 0.212 4.386 4.170 0.007 0.000 0.289 211 I C 1.431 177.611 176.117 0.104 0.000 1.141 211 I CA 0.389 61.758 61.300 0.116 0.000 1.430 211 I CB -0.473 37.593 38.000 0.110 0.000 1.497 211 I HN 0.355 8.565 8.210 -0.000 0.000 0.636 212 R N 2.869 123.431 120.500 0.104 0.000 2.509 212 R HA 0.173 4.517 4.340 0.007 0.000 0.297 212 R C 1.001 177.359 176.300 0.098 0.000 0.951 212 R CA -0.018 56.134 56.100 0.086 0.000 1.103 212 R CB 0.444 30.793 30.300 0.083 0.000 1.283 212 R HN 0.280 8.550 8.270 -0.000 0.000 0.534 213 K N 0.299 120.785 120.400 0.144 0.000 2.400 213 K HA 0.099 4.424 4.320 0.007 0.000 0.194 213 K C -0.110 176.587 176.600 0.161 0.000 1.033 213 K CA 0.224 56.625 56.287 0.190 0.000 1.021 213 K CB 0.385 33.095 32.500 0.350 0.000 0.808 213 K HN 0.000 8.250 8.250 -0.000 0.000 0.505 214 L N -0.408 120.892 121.223 0.127 0.000 2.518 214 L HA 0.405 4.750 4.340 0.007 0.000 0.257 214 L C -1.855 175.032 176.870 0.028 0.000 0.980 214 L CA -1.053 53.830 54.840 0.071 0.000 0.837 214 L CB 2.211 44.315 42.059 0.076 0.000 1.410 214 L HN -0.249 7.981 8.230 -0.000 0.000 0.410 215 V N 3.275 123.189 119.914 -0.000 0.000 2.789 215 V HA 0.822 4.947 4.120 0.007 0.000 0.311 215 V C -0.017 176.051 176.094 -0.045 0.000 1.073 215 V CA 0.425 62.714 62.300 -0.018 0.000 0.921 215 V CB 1.359 33.181 31.823 -0.001 0.000 1.009 215 V HN 1.036 9.226 8.190 -0.000 0.000 0.426 216 E N 1.783 121.946 120.200 -0.063 0.000 3.513 216 E HA -0.247 4.107 4.350 0.007 0.000 0.130 216 E C 1.442 177.950 176.600 -0.154 0.000 0.693 216 E CA 0.670 57.016 56.400 -0.091 0.000 3.012 216 E CB -1.435 28.206 29.700 -0.098 0.000 1.238 216 E HN 0.926 9.286 8.360 -0.000 0.000 0.751 217 S N 1.933 117.515 115.700 -0.197 0.000 1.904 217 S HA -0.416 4.058 4.470 0.007 0.000 0.529 217 S C 0.907 175.252 174.600 -0.425 0.000 0.923 217 S CA 2.653 60.665 58.200 -0.312 0.000 3.320 217 S CB -0.911 62.202 63.200 -0.144 0.000 2.316 217 S HN 0.461 8.771 8.310 -0.000 0.000 0.572 226 L N 0.526 121.709 121.223 -0.067 0.000 2.547 226 L HA 0.228 4.572 4.340 0.007 0.000 0.218 226 L C 1.360 178.311 176.870 0.135 0.000 1.048 226 L CA 0.286 55.099 54.840 -0.046 0.000 0.859 226 L CB 0.403 42.294 42.059 -0.281 0.000 1.128 226 L HN -0.171 8.059 8.230 -0.000 0.000 0.483 227 E N 0.547 120.775 120.200 0.047 0.000 2.485 227 E HA -0.117 4.238 4.350 0.007 0.000 0.194 227 E C 1.629 178.370 176.600 0.235 0.000 1.098 227 E CA 0.284 56.825 56.400 0.234 0.000 0.878 227 E CB 0.025 29.802 29.700 0.127 0.000 0.939 227 E HN 0.117 8.477 8.360 -0.000 0.000 0.503 228 R N -0.354 120.253 120.500 0.177 0.000 2.087 228 R HA 0.228 4.572 4.340 0.007 0.000 0.213 228 R C 1.878 178.265 176.300 0.145 0.000 1.137 228 R CA 0.788 56.959 56.100 0.118 0.000 1.022 228 R CB -0.406 29.944 30.300 0.084 0.000 0.920 228 R HN 0.152 8.422 8.270 -0.000 0.000 0.451 229 I N 0.830 121.528 120.570 0.213 0.000 2.151 229 I HA -0.293 3.881 4.170 0.007 0.000 0.243 229 I C 2.074 178.396 176.117 0.341 0.000 1.080 229 I CA 1.742 63.203 61.300 0.267 0.000 1.339 229 I CB -0.490 37.698 38.000 0.313 0.000 1.039 229 I HN 0.188 8.398 8.210 -0.000 0.000 0.409 230 F N 1.322 121.498 119.950 0.377 0.000 2.325 230 F HA -0.080 4.451 4.527 0.006 0.000 0.299 230 F C 2.209 178.077 175.800 0.112 0.000 1.090 230 F CA 1.031 59.168 58.000 0.229 0.000 1.392 230 F CB -0.409 38.750 39.000 0.264 0.000 1.053 230 F HN -0.249 8.051 8.300 -0.000 0.000 0.521 231 V N 0.858 120.569 119.914 -0.338 0.000 2.667 231 V HA -0.275 3.849 4.120 0.007 0.000 0.252 231 V C 1.781 177.714 176.094 -0.269 0.000 1.065 231 V CA 2.182 64.243 62.300 -0.398 0.000 1.083 231 V CB -0.902 30.836 31.823 -0.142 0.000 0.692 231 V HN 0.411 8.601 8.190 -0.000 0.000 0.468 232 N N -0.317 118.305 118.700 -0.129 0.000 2.173 232 N HA -0.104 4.640 4.740 0.007 0.000 0.184 232 N C 1.782 177.265 175.510 -0.046 0.000 1.025 232 N CA 0.947 53.975 53.050 -0.036 0.000 0.852 232 N CB -0.169 38.346 38.487 0.048 0.000 0.998 232 N HN 0.223 8.603 8.380 -0.000 0.000 0.427 233 V N 1.421 121.310 119.914 -0.041 0.000 2.439 233 V HA -0.253 3.871 4.120 0.007 0.000 0.253 233 V C 2.302 178.313 176.094 -0.139 0.000 1.074 233 V CA 1.670 63.964 62.300 -0.010 0.000 1.076 233 V CB -0.440 31.442 31.823 0.100 0.000 0.664 233 V HN 0.337 8.527 8.190 -0.000 0.000 0.461 234 R N -1.157 119.142 120.500 -0.336 0.000 2.254 234 R HA 0.013 4.357 4.340 0.007 0.000 0.193 234 R C 1.029 177.250 176.300 -0.131 0.000 0.929 234 R CA 0.620 56.540 56.100 -0.301 0.000 1.038 234 R CB 0.205 30.164 30.300 -0.568 0.000 1.009 234 R HN 0.398 8.668 8.270 -0.000 0.000 0.512 235 D N 0.240 120.593 120.400 -0.078 0.000 2.368 235 D HA 0.165 4.809 4.640 0.007 0.000 0.218 235 D C 1.013 177.346 176.300 0.055 0.000 1.112 235 D CA 0.129 54.178 54.000 0.083 0.000 0.834 235 D CB 1.094 41.932 40.800 0.063 0.000 0.953 235 D HN 0.234 8.604 8.370 -0.000 0.000 0.505 236 A N 0.876 123.679 122.820 -0.029 0.000 1.902 236 A HA -0.087 4.237 4.320 0.007 0.000 0.217 236 A C 2.275 179.821 177.584 -0.064 0.000 1.181 236 A CA 1.856 53.880 52.037 -0.022 0.000 0.623 236 A CB -0.368 18.629 19.000 -0.006 0.000 0.818 236 A HN 0.246 8.396 8.150 -0.000 0.000 0.443 237 A N -0.883 121.820 122.820 -0.194 0.000 1.845 237 A HA -0.087 4.237 4.320 0.007 0.000 0.215 237 A C 2.041 179.499 177.584 -0.209 0.000 1.195 237 A CA 1.680 53.557 52.037 -0.267 0.000 0.616 237 A CB -1.036 17.680 19.000 -0.474 0.000 0.832 237 A HN 0.561 8.711 8.150 -0.000 0.000 0.443 238 Y N -0.099 120.199 120.300 -0.004 0.000 2.139 238 Y HA -0.291 4.264 4.550 0.008 0.000 0.282 238 Y C 2.652 178.558 175.900 0.009 0.000 1.179 238 Y CA 1.793 59.894 58.100 0.000 0.000 1.161 238 Y CB -0.766 37.686 38.460 -0.013 0.000 0.970 238 Y HN 0.511 8.791 8.280 -0.000 0.000 0.511 239 Q N -0.122 119.758 119.800 0.133 0.000 2.187 239 Q HA -0.079 4.265 4.340 0.007 0.000 0.199 239 Q C 2.094 178.128 176.000 0.057 0.000 0.957 239 Q CA 0.938 56.794 55.803 0.088 0.000 0.857 239 Q CB -0.114 28.669 28.738 0.076 0.000 0.929 239 Q HN 0.537 8.807 8.270 -0.000 0.000 0.453 240 I N 0.412 121.003 120.570 0.034 0.000 2.617 240 I HA -0.205 3.970 4.170 0.007 0.000 0.256 240 I C 1.914 178.054 176.117 0.037 0.000 1.167 240 I CA 0.646 61.958 61.300 0.020 0.000 1.469 240 I CB 0.038 38.031 38.000 -0.011 0.000 1.098 240 I HN 0.267 8.477 8.210 -0.000 0.000 0.436 241 I N 0.878 121.479 120.570 0.052 0.000 2.500 241 I HA -0.222 3.952 4.170 0.007 0.000 0.252 241 I C 2.510 178.679 176.117 0.087 0.000 1.142 241 I CA 1.119 62.466 61.300 0.078 0.000 1.451 241 I CB -0.218 37.832 38.000 0.084 0.000 1.093 241 I HN 0.311 8.521 8.210 -0.000 0.000 0.430 242 E N 2.451 122.701 120.200 0.082 0.000 2.285 242 E HA -0.166 4.188 4.350 0.007 0.000 0.194 242 E C 1.605 178.242 176.600 0.061 0.000 0.997 242 E CA 0.684 57.129 56.400 0.075 0.000 0.845 242 E CB -0.005 29.741 29.700 0.077 0.000 0.782 242 E HN 0.491 8.851 8.360 -0.000 0.000 0.491 243 K N 0.359 120.793 120.400 0.057 0.000 2.387 243 K HA 0.190 4.514 4.320 0.007 0.000 0.203 243 K C 1.178 177.812 176.600 0.056 0.000 1.030 243 K CA -0.134 56.184 56.287 0.050 0.000 1.099 243 K CB 0.772 33.297 32.500 0.041 0.000 0.863 243 K HN 0.029 8.279 8.250 -0.000 0.000 0.529 244 K N -0.031 120.411 120.400 0.070 0.000 2.612 244 K HA 0.038 4.362 4.320 0.007 0.000 0.199 244 K C 0.559 177.235 176.600 0.126 0.000 1.520 244 K CA 0.854 57.193 56.287 0.087 0.000 1.039 244 K CB 0.738 33.282 32.500 0.073 0.000 1.286 244 K HN 0.214 8.464 8.250 -0.000 0.000 0.622 245 G N 1.011 109.885 108.800 0.124 0.000 2.199 245 G HA2 -0.162 3.802 3.960 0.007 0.000 0.254 245 G HA3 -0.162 3.802 3.960 0.007 0.000 0.254 245 G C 0.070 175.089 174.900 0.199 0.000 0.982 245 G CA 0.190 45.383 45.100 0.155 0.000 0.632 245 G HN 1.101 9.391 8.290 -0.000 0.000 0.529 246 A N -1.829 121.113 122.820 0.203 0.000 2.583 246 A HA 0.734 5.058 4.320 0.007 0.000 0.300 246 A C -0.264 177.423 177.584 0.172 0.000 0.966 246 A CA 0.625 52.814 52.037 0.254 0.000 0.673 246 A CB -0.142 19.129 19.000 0.451 0.000 1.297 246 A HN 1.826 9.976 8.150 -0.000 0.000 0.418 247 T N 0.132 114.753 114.554 0.112 0.000 2.767 247 T HA 0.629 4.983 4.350 0.007 0.000 0.288 247 T C 0.170 174.897 174.700 0.044 0.000 0.963 247 T CA 0.499 62.574 62.100 -0.042 0.000 1.019 247 T CB 0.524 69.377 68.868 -0.024 0.000 0.923 247 T HN 1.619 9.859 8.240 -0.000 0.000 0.468 248 Y N -0.831 119.404 120.300 -0.109 0.000 2.557 248 Y HA 0.295 4.848 4.550 0.006 0.000 0.275 248 Y C 1.597 177.404 175.900 -0.156 0.000 1.163 248 Y CA -0.862 57.155 58.100 -0.138 0.000 1.086 248 Y CB -0.273 38.106 38.460 -0.135 0.000 1.338 248 Y HN 0.506 8.786 8.280 -0.000 0.000 0.534 249 Y N 2.116 122.239 120.300 -0.295 0.000 2.114 249 Y HA -0.032 4.522 4.550 0.006 0.000 0.284 249 Y C 2.800 178.674 175.900 -0.044 0.000 1.143 249 Y CA 1.411 59.449 58.100 -0.104 0.000 1.135 249 Y CB -0.778 37.577 38.460 -0.176 0.000 0.980 249 Y HN 0.292 8.572 8.280 -0.000 0.000 0.499 250 G N 0.778 109.618 108.800 0.066 0.000 2.586 250 G HA2 -0.349 3.615 3.960 0.007 0.000 0.218 250 G HA3 -0.349 3.615 3.960 0.007 0.000 0.218 250 G C 1.686 176.618 174.900 0.053 0.000 1.216 250 G CA 1.411 46.532 45.100 0.036 0.000 0.786 250 G HN 0.470 8.760 8.290 -0.000 0.000 0.583 251 I N 1.174 121.772 120.570 0.046 0.000 2.069 251 I HA -0.263 3.912 4.170 0.007 0.000 0.237 251 I C 3.148 179.314 176.117 0.081 0.000 1.053 251 I CA 1.989 63.316 61.300 0.045 0.000 1.311 251 I CB -0.422 37.593 38.000 0.025 0.000 1.030 251 I HN 0.282 8.492 8.210 -0.000 0.000 0.398 252 A N 0.802 123.704 122.820 0.137 0.000 1.971 252 A HA -0.311 4.013 4.320 0.007 0.000 0.222 252 A C 2.201 179.907 177.584 0.203 0.000 1.182 252 A CA 2.341 54.523 52.037 0.241 0.000 0.649 252 A CB -0.654 18.520 19.000 0.290 0.000 0.818 252 A HN 0.576 8.726 8.150 -0.000 0.000 0.458 253 M N -0.916 118.764 119.600 0.134 0.000 2.086 253 M HA -0.090 4.395 4.480 0.007 0.000 0.261 253 M C 2.354 178.707 176.300 0.088 0.000 1.067 253 M CA 1.540 56.895 55.300 0.092 0.000 1.116 253 M CB -2.099 30.535 32.600 0.058 0.000 1.348 253 M HN 0.458 8.748 8.290 -0.000 0.000 0.407 254 G N -0.360 108.488 108.800 0.080 0.000 2.402 254 G HA2 -0.154 3.810 3.960 0.007 0.000 0.216 254 G HA3 -0.154 3.810 3.960 0.007 0.000 0.216 254 G C 1.550 176.492 174.900 0.070 0.000 1.162 254 G CA 0.411 45.548 45.100 0.062 0.000 0.777 254 G HN 0.365 8.655 8.290 -0.000 0.000 0.539 255 L N 0.998 122.275 121.223 0.090 0.000 2.217 255 L HA 0.294 4.638 4.340 0.007 0.000 0.211 255 L C 2.825 179.860 176.870 0.275 0.000 1.107 255 L CA 1.566 56.465 54.840 0.099 0.000 0.783 255 L CB -0.229 41.831 42.059 0.003 0.000 0.919 255 L HN 0.229 8.459 8.230 -0.000 0.000 0.442 256 A N -1.415 121.557 122.820 0.253 0.000 2.178 256 A HA -0.013 4.311 4.320 0.007 0.000 0.211 256 A C 2.255 179.882 177.584 0.071 0.000 1.157 256 A CA 0.674 52.817 52.037 0.175 0.000 0.780 256 A CB -0.284 18.751 19.000 0.058 0.000 0.828 256 A HN 0.368 8.518 8.150 -0.000 0.000 0.476 257 R N 0.175 120.713 120.500 0.063 0.000 2.052 257 R HA -0.042 4.302 4.340 0.007 0.000 0.226 257 R C 1.737 178.047 176.300 0.017 0.000 1.145 257 R CA 2.185 58.302 56.100 0.028 0.000 0.952 257 R CB -1.040 29.284 30.300 0.040 0.000 0.847 257 R HN 0.177 8.447 8.270 -0.000 0.000 0.431 258 V N 0.701 120.638 119.914 0.039 0.000 2.324 258 V HA -0.313 3.811 4.120 0.007 0.000 0.250 258 V C 2.152 178.265 176.094 0.031 0.000 1.060 258 V CA 2.486 64.809 62.300 0.037 0.000 1.042 258 V CB -1.193 30.657 31.823 0.046 0.000 0.650 258 V HN 0.467 8.657 8.190 -0.000 0.000 0.450 259 T N -0.291 114.298 114.554 0.058 0.000 2.665 259 T HA -0.287 4.067 4.350 0.007 0.000 0.268 259 T C 2.043 176.707 174.700 -0.059 0.000 1.035 259 T CA 2.153 64.284 62.100 0.051 0.000 1.151 259 T CB -0.326 68.617 68.868 0.125 0.000 0.862 259 T HN 0.473 8.713 8.240 -0.000 0.000 0.438 260 R N 0.879 121.303 120.500 -0.125 0.000 2.083 260 R HA -0.091 4.253 4.340 0.007 0.000 0.237 260 R C 2.651 178.778 176.300 -0.288 0.000 1.137 260 R CA 1.553 57.446 56.100 -0.345 0.000 0.951 260 R CB -0.562 29.576 30.300 -0.270 0.000 0.851 260 R HN 0.374 8.644 8.270 -0.000 0.000 0.434 261 A N 1.251 124.011 122.820 -0.100 0.000 1.873 261 A HA -0.204 4.120 4.320 0.007 0.000 0.218 261 A C 2.200 179.792 177.584 0.013 0.000 1.193 261 A CA 1.778 53.804 52.037 -0.018 0.000 0.629 261 A CB -0.666 18.343 19.000 0.014 0.000 0.826 261 A HN 0.401 8.551 8.150 -0.000 0.000 0.447 262 I N -0.489 120.089 120.570 0.014 0.000 2.076 262 I HA -0.279 3.895 4.170 0.007 0.000 0.237 262 I C 2.369 178.527 176.117 0.068 0.000 1.059 262 I CA 1.559 62.886 61.300 0.044 0.000 1.317 262 I CB -0.425 37.607 38.000 0.052 0.000 1.037 262 I HN 0.288 8.498 8.210 -0.000 0.000 0.398 263 L N -0.477 120.787 121.223 0.068 0.000 2.353 263 L HA -0.214 4.130 4.340 0.007 0.000 0.220 263 L C 1.637 178.717 176.870 0.352 0.000 1.133 263 L CA 1.268 56.212 54.840 0.172 0.000 0.798 263 L CB -0.592 41.560 42.059 0.156 0.000 0.922 263 L HN 0.427 8.657 8.230 -0.000 0.000 0.445 264 H N -1.733 117.350 119.070 0.022 0.000 2.784 264 H HA 0.112 4.663 4.556 -0.008 0.000 0.273 264 H C 0.286 175.625 175.328 0.019 0.000 1.112 264 H CA -0.268 55.791 56.048 0.018 0.000 1.162 264 H CB 0.485 30.258 29.762 0.018 0.000 1.586 264 H HN 0.269 8.549 8.280 -0.000 0.000 0.548 265 N N 2.011 120.797 118.700 0.144 0.000 2.725 265 N HA -0.198 4.546 4.740 0.007 0.000 0.249 265 N C 0.504 176.059 175.510 0.075 0.000 1.103 265 N CA 0.275 53.374 53.050 0.083 0.000 0.707 265 N CB -0.429 38.094 38.487 0.060 0.000 1.043 265 N HN 0.604 8.984 8.380 -0.000 0.000 0.553 266 E N 0.147 120.398 120.200 0.085 0.000 2.160 266 E HA -0.180 4.175 4.350 0.007 0.000 0.195 266 E C 0.309 176.942 176.600 0.054 0.000 0.991 266 E CA 1.044 57.488 56.400 0.074 0.000 0.810 266 E CB -0.279 29.460 29.700 0.064 0.000 0.742 266 E HN 0.569 8.929 8.360 -0.000 0.000 0.466 267 N N -0.027 118.702 118.700 0.048 0.000 2.738 267 N HA -0.183 4.561 4.740 0.007 0.000 0.249 267 N C -1.022 174.514 175.510 0.044 0.000 1.047 267 N CA 0.365 53.440 53.050 0.041 0.000 0.707 267 N CB -0.702 37.806 38.487 0.035 0.000 0.937 267 N HN 0.280 8.660 8.380 -0.000 0.000 0.545 268 A N 0.083 122.932 122.820 0.047 0.000 2.294 268 A HA 0.758 5.082 4.320 0.007 0.000 0.330 268 A C 0.311 177.929 177.584 0.057 0.000 1.133 268 A CA -0.567 51.502 52.037 0.055 0.000 0.836 268 A CB 0.819 19.853 19.000 0.056 0.000 1.190 268 A HN 0.312 8.462 8.150 -0.000 0.000 0.492 269 I N 2.320 122.935 120.570 0.076 0.000 2.313 269 I HA 0.223 4.397 4.170 0.007 0.000 0.286 269 I C -0.917 175.253 176.117 0.087 0.000 1.091 269 I CA 0.144 61.491 61.300 0.078 0.000 1.216 269 I CB -0.022 38.046 38.000 0.114 0.000 1.434 269 I HN 0.405 8.615 8.210 -0.000 0.000 0.487 270 L N 4.881 126.129 121.223 0.043 0.000 2.334 270 L HA 0.408 4.752 4.340 0.007 0.000 0.275 270 L C 0.640 177.480 176.870 -0.049 0.000 1.036 270 L CA -0.630 54.230 54.840 0.032 0.000 0.807 270 L CB 1.731 43.815 42.059 0.041 0.000 1.231 270 L HN 0.491 8.721 8.230 -0.000 0.000 0.438 271 T N 0.440 114.953 114.554 -0.068 0.000 3.176 271 T HA 0.363 4.717 4.350 0.007 0.000 0.301 271 T C 0.225 174.894 174.700 -0.051 0.000 1.115 271 T CA -0.758 61.258 62.100 -0.140 0.000 1.027 271 T CB -0.438 68.318 68.868 -0.187 0.000 1.063 271 T HN 0.351 8.591 8.240 -0.000 0.000 0.669 272 V N -0.065 119.829 119.914 -0.034 0.000 3.613 272 V HA 0.676 4.800 4.120 0.007 0.000 0.283 272 V C 0.582 176.685 176.094 0.015 0.000 1.052 272 V CA -1.110 61.192 62.300 0.003 0.000 0.937 272 V CB 1.173 33.014 31.823 0.029 0.000 1.241 272 V HN 0.538 8.728 8.190 -0.000 0.000 0.429 273 S N 0.941 116.675 115.700 0.056 0.000 2.457 273 S HA 0.752 5.227 4.470 0.007 0.000 0.216 273 S C -0.133 174.633 174.600 0.277 0.000 1.392 273 S CA 0.022 58.292 58.200 0.116 0.000 1.102 273 S CB -0.590 62.654 63.200 0.074 0.000 1.114 273 S HN 1.282 9.592 8.310 -0.000 0.000 0.484 274 A N 2.604 125.534 122.820 0.183 0.000 2.311 274 A HA 0.646 4.970 4.320 0.007 0.000 0.334 274 A C -0.985 176.445 177.584 -0.258 0.000 1.139 274 A CA -0.606 51.472 52.037 0.068 0.000 0.830 274 A CB 0.517 19.535 19.000 0.030 0.000 1.234 274 A HN 0.743 8.893 8.150 -0.000 0.000 0.483 275 Y N 1.953 121.739 120.300 -0.858 0.000 2.436 275 Y HA 0.413 4.967 4.550 0.006 0.000 0.343 275 Y C -0.291 175.290 175.900 -0.531 0.000 1.008 275 Y CA -0.048 57.373 58.100 -1.130 0.000 1.241 275 Y CB 0.241 37.776 38.460 -1.542 0.000 1.153 275 Y HN 0.486 8.766 8.280 -0.000 0.000 0.521 276 L N 7.189 127.995 121.223 -0.696 0.000 2.315 276 L HA 0.076 4.420 4.340 0.007 0.000 0.283 276 L C 0.818 177.400 176.870 -0.480 0.000 1.089 276 L CA -0.309 54.305 54.840 -0.378 0.000 0.833 276 L CB 0.734 42.711 42.059 -0.138 0.000 1.170 276 L HN 0.760 8.990 8.230 -0.000 0.000 0.442 277 D N 3.083 123.365 120.400 -0.197 0.000 2.144 277 D HA -0.088 4.556 4.640 0.007 0.000 0.199 277 D C 1.526 177.811 176.300 -0.025 0.000 0.984 277 D CA 1.554 55.524 54.000 -0.050 0.000 0.834 277 D CB 0.421 41.223 40.800 0.003 0.000 0.955 277 D HN 0.925 9.295 8.370 -0.000 0.000 0.465 278 G N -0.491 108.287 108.800 -0.035 0.000 2.559 278 G HA2 -0.138 3.826 3.960 0.007 0.000 0.202 278 G HA3 -0.138 3.826 3.960 0.007 0.000 0.202 278 G C -0.162 174.732 174.900 -0.011 0.000 0.992 278 G CA -0.243 44.851 45.100 -0.010 0.000 0.764 278 G HN 0.206 8.496 8.290 -0.000 0.000 0.525 279 L N 0.815 122.030 121.223 -0.013 0.000 2.397 279 L HA 0.679 5.023 4.340 0.007 0.000 0.271 279 L C 1.351 178.244 176.870 0.039 0.000 1.148 279 L CA 0.322 55.127 54.840 -0.059 0.000 0.825 279 L CB -0.105 41.915 42.059 -0.066 0.000 1.117 279 L HN 0.486 8.716 8.230 -0.000 0.000 0.456 280 Y N 2.523 122.721 120.300 -0.170 0.000 4.916 280 Y HA -0.227 4.327 4.550 0.006 0.000 0.247 280 Y C 1.436 177.266 175.900 -0.116 0.000 0.962 280 Y CA 1.272 59.208 58.100 -0.273 0.000 1.933 280 Y CB -2.012 36.068 38.460 -0.634 0.000 1.451 280 Y HN 0.977 9.257 8.280 -0.000 0.000 0.539 281 G N -0.061 108.764 108.800 0.041 0.000 2.272 281 G HA2 -0.185 3.779 3.960 0.007 0.000 0.280 281 G HA3 -0.185 3.779 3.960 0.007 0.000 0.280 281 G C -0.240 174.717 174.900 0.096 0.000 1.067 281 G CA 0.472 45.600 45.100 0.046 0.000 0.902 281 G HN 0.364 8.654 8.290 -0.000 0.000 0.500 282 E N -1.260 118.998 120.200 0.096 0.000 2.320 282 E HA 0.636 4.990 4.350 0.007 0.000 0.264 282 E C 0.884 177.479 176.600 -0.008 0.000 0.923 282 E CA -1.066 55.384 56.400 0.082 0.000 0.796 282 E CB 1.569 31.357 29.700 0.145 0.000 1.262 282 E HN 0.210 8.570 8.360 -0.000 0.000 0.428 283 R N 0.456 120.926 120.500 -0.050 0.000 2.555 283 R HA 0.077 4.421 4.340 0.007 0.000 0.312 283 R C -0.814 175.414 176.300 -0.120 0.000 0.938 283 R CA 0.363 56.421 56.100 -0.070 0.000 1.112 283 R CB 0.750 31.050 30.300 -0.000 0.000 1.535 283 R HN 0.539 8.809 8.270 -0.000 0.000 0.525 284 D N 0.613 120.919 120.400 -0.156 0.000 3.443 284 D HA 0.097 4.741 4.640 0.007 0.000 0.243 284 D C -2.050 174.215 176.300 -0.059 0.000 1.446 284 D CA -0.190 53.764 54.000 -0.077 0.000 0.880 284 D CB 0.861 41.740 40.800 0.132 0.000 1.470 284 D HN -0.066 8.304 8.370 -0.000 0.000 0.658 285 V N 1.874 121.654 119.914 -0.223 0.000 2.932 285 V HA 0.549 4.673 4.120 0.007 0.000 0.307 285 V C -1.611 174.410 176.094 -0.123 0.000 1.147 285 V CA -0.565 61.655 62.300 -0.133 0.000 0.951 285 V CB 1.584 33.315 31.823 -0.154 0.000 1.031 285 V HN 0.228 8.418 8.190 -0.000 0.000 0.426 286 Y N 5.669 125.948 120.300 -0.035 0.000 2.320 286 Y HA 0.777 5.330 4.550 0.006 0.000 0.324 286 Y C 0.314 176.163 175.900 -0.085 0.000 1.190 286 Y CA -0.080 57.999 58.100 -0.034 0.000 1.215 286 Y CB 1.665 40.159 38.460 0.057 0.000 1.221 286 Y HN 0.646 8.926 8.280 -0.000 0.000 0.486 287 I N 0.454 121.060 120.570 0.060 0.000 2.842 287 I HA 0.354 4.528 4.170 0.007 0.000 0.296 287 I C -0.466 175.639 176.117 -0.020 0.000 1.538 287 I CA -0.850 60.430 61.300 -0.033 0.000 0.994 287 I CB 1.850 39.752 38.000 -0.163 0.000 1.372 287 I HN 0.694 8.904 8.210 -0.000 0.000 0.478 288 G N 4.588 113.355 108.800 -0.056 0.000 2.307 288 G HA2 0.462 4.427 3.960 0.007 0.000 0.271 288 G HA3 0.462 4.427 3.960 0.007 0.000 0.271 288 G C -0.886 173.989 174.900 -0.042 0.000 1.191 288 G CA 0.079 45.155 45.100 -0.040 0.000 1.024 288 G HN 0.375 8.665 8.290 -0.000 0.000 0.441 289 V N 5.169 125.055 119.914 -0.046 0.000 3.120 289 V HA 0.427 4.551 4.120 0.007 0.000 0.303 289 V C -2.310 173.710 176.094 -0.123 0.000 1.238 289 V CA -1.527 60.735 62.300 -0.063 0.000 1.008 289 V CB 3.301 35.127 31.823 0.005 0.000 1.064 289 V HN 0.573 8.763 8.190 -0.000 0.000 0.434 290 P HA 0.345 4.765 4.420 -0.000 0.000 0.266 290 P C -0.899 176.356 177.300 -0.075 0.000 1.215 290 P CA 0.388 63.328 63.100 -0.267 0.000 0.763 290 P CB 0.724 32.229 31.700 -0.325 0.000 0.806 291 A N 3.571 126.362 122.820 -0.048 0.000 2.485 291 A HA 0.657 4.981 4.320 0.007 0.000 0.292 291 A C -0.973 176.619 177.584 0.014 0.000 1.147 291 A CA -0.687 51.353 52.037 0.005 0.000 0.750 291 A CB 1.415 20.430 19.000 0.025 0.000 1.331 291 A HN 0.262 8.412 8.150 -0.000 0.000 0.419 292 V N 2.266 122.196 119.914 0.026 0.000 2.350 292 V HA 0.344 4.468 4.120 0.007 0.000 0.276 292 V C -0.152 175.962 176.094 0.033 0.000 1.028 292 V CA -0.181 62.138 62.300 0.031 0.000 0.860 292 V CB 0.753 32.594 31.823 0.031 0.000 0.990 292 V HN 0.628 8.818 8.190 -0.000 0.000 0.453 293 I N 5.674 126.266 120.570 0.036 0.000 2.664 293 I HA 0.628 4.803 4.170 0.007 0.000 0.308 293 I C 0.155 176.295 176.117 0.039 0.000 0.984 293 I CA -0.320 61.003 61.300 0.039 0.000 1.213 293 I CB 1.800 39.824 38.000 0.040 0.000 1.379 293 I HN 0.950 9.160 8.210 -0.000 0.000 0.501 294 N N 2.509 121.233 118.700 0.040 0.000 3.514 294 N HA 0.063 4.807 4.740 0.007 0.000 0.268 294 N C -0.163 175.372 175.510 0.043 0.000 1.391 294 N CA -0.804 52.272 53.050 0.043 0.000 0.821 294 N CB 1.132 39.643 38.487 0.039 0.000 1.563 294 N HN 0.324 8.704 8.380 -0.000 0.000 0.426 295 R N 0.237 120.764 120.500 0.045 0.000 2.357 295 R HA 0.155 4.499 4.340 0.007 0.000 0.202 295 R C 0.093 176.412 176.300 0.032 0.000 1.047 295 R CA 1.223 57.351 56.100 0.046 0.000 1.034 295 R CB -0.943 29.387 30.300 0.050 0.000 0.875 295 R HN 0.595 8.865 8.270 -0.000 0.000 0.473 296 N N -0.622 118.094 118.700 0.025 0.000 2.351 296 N HA 0.205 4.950 4.740 0.007 0.000 0.254 296 N C -0.291 175.228 175.510 0.015 0.000 1.241 296 N CA 0.115 53.173 53.050 0.014 0.000 0.883 296 N CB 1.093 39.582 38.487 0.004 0.000 1.202 296 N HN 0.341 8.721 8.380 -0.000 0.000 0.512 297 G N 1.188 110.006 108.800 0.031 0.000 2.594 297 G HA2 -0.187 3.777 3.960 0.007 0.000 0.217 297 G HA3 -0.187 3.777 3.960 0.007 0.000 0.217 297 G C -0.744 174.177 174.900 0.035 0.000 1.163 297 G CA -0.774 44.349 45.100 0.039 0.000 1.074 297 G HN 0.079 8.369 8.290 -0.000 0.000 0.589 298 I N 1.693 122.277 120.570 0.023 0.000 2.428 298 I HA 0.505 4.679 4.170 0.007 0.000 0.296 298 I C 1.601 177.722 176.117 0.008 0.000 0.985 298 I CA -0.610 60.704 61.300 0.024 0.000 1.260 298 I CB 1.839 39.859 38.000 0.035 0.000 1.389 298 I HN 0.661 8.871 8.210 -0.000 0.000 0.484 299 R N 4.348 124.859 120.500 0.018 0.000 2.055 299 R HA 0.119 4.463 4.340 0.007 0.000 0.221 299 R C -0.438 175.873 176.300 0.018 0.000 1.154 299 R CA 1.034 57.143 56.100 0.014 0.000 0.975 299 R CB 0.459 30.770 30.300 0.018 0.000 0.869 299 R HN 0.823 9.093 8.270 -0.000 0.000 0.437 300 E N -0.758 119.458 120.200 0.027 0.000 2.388 300 E HA 0.219 4.573 4.350 0.007 0.000 0.282 300 E C -1.351 175.270 176.600 0.035 0.000 1.026 300 E CA -0.759 55.661 56.400 0.032 0.000 0.820 300 E CB 1.572 31.285 29.700 0.023 0.000 1.226 300 E HN -0.152 8.208 8.360 -0.000 0.000 0.432 301 V N 2.294 122.233 119.914 0.042 0.000 2.953 301 V HA 0.341 4.465 4.120 0.007 0.000 0.304 301 V C 0.114 176.224 176.094 0.027 0.000 1.073 301 V CA -0.234 62.095 62.300 0.049 0.000 1.064 301 V CB 0.980 32.847 31.823 0.072 0.000 1.047 301 V HN 0.575 8.765 8.190 -0.000 0.000 0.478 302 I N 2.144 122.736 120.570 0.037 0.000 2.530 302 I HA 0.358 4.532 4.170 0.007 0.000 0.297 302 I C 0.126 176.217 176.117 -0.043 0.000 1.011 302 I CA -0.184 61.119 61.300 0.004 0.000 1.107 302 I CB 1.802 39.823 38.000 0.035 0.000 1.285 302 I HN 0.597 8.807 8.210 -0.000 0.000 0.436 303 E N 6.912 126.988 120.200 -0.206 0.000 2.079 303 E HA 0.293 4.647 4.350 0.007 0.000 0.252 303 E C -0.356 176.116 176.600 -0.214 0.000 0.992 303 E CA -0.475 55.599 56.400 -0.543 0.000 0.829 303 E CB 0.592 29.886 29.700 -0.677 0.000 1.158 303 E HN 0.436 8.796 8.360 -0.000 0.000 0.435 304 I N -0.339 120.245 120.570 0.024 0.000 2.932 304 I HA -0.007 4.168 4.170 0.007 0.000 0.295 304 I C 0.511 176.645 176.117 0.028 0.000 1.227 304 I CA 0.129 61.489 61.300 0.099 0.000 1.429 304 I CB 0.505 38.637 38.000 0.221 0.000 1.339 304 I HN 0.410 8.620 8.210 -0.000 0.000 0.589 305 E N 6.686 126.907 120.200 0.035 0.000 1.791 305 E HA 0.238 4.592 4.350 0.007 0.000 0.263 305 E C -0.692 175.935 176.600 0.045 0.000 1.213 305 E CA -0.439 55.967 56.400 0.011 0.000 0.991 305 E CB 0.270 29.979 29.700 0.015 0.000 1.068 305 E HN 0.573 8.933 8.360 -0.000 0.000 0.417 306 L N 3.818 125.069 121.223 0.047 0.000 2.426 306 L HA 0.109 4.453 4.340 0.007 0.000 0.271 306 L C 1.315 178.219 176.870 0.057 0.000 1.169 306 L CA -0.210 54.675 54.840 0.075 0.000 0.836 306 L CB 0.492 42.611 42.059 0.099 0.000 1.112 306 L HN 0.593 8.823 8.230 -0.000 0.000 0.465 307 N N 1.235 119.976 118.700 0.068 0.000 2.263 307 N HA -0.077 4.667 4.740 0.007 0.000 0.239 307 N C 0.312 175.856 175.510 0.057 0.000 1.317 307 N CA -0.414 52.673 53.050 0.063 0.000 0.909 307 N CB 0.868 39.402 38.487 0.078 0.000 1.171 307 N HN 0.584 8.964 8.380 -0.000 0.000 0.492 308 D N 0.373 120.803 120.400 0.049 0.000 2.077 308 D HA -0.166 4.478 4.640 0.007 0.000 0.193 308 D C 1.017 177.350 176.300 0.055 0.000 0.989 308 D CA 1.400 55.426 54.000 0.043 0.000 0.831 308 D CB -0.466 40.354 40.800 0.033 0.000 0.979 308 D HN 0.617 8.987 8.370 -0.000 0.000 0.449 309 D N 0.065 120.499 120.400 0.057 0.000 2.312 309 D HA -0.090 4.554 4.640 0.007 0.000 0.211 309 D C 1.521 177.867 176.300 0.078 0.000 0.964 309 D CA 0.683 54.719 54.000 0.060 0.000 0.877 309 D CB 0.096 40.926 40.800 0.051 0.000 0.924 309 D HN 0.306 8.676 8.370 -0.000 0.000 0.515 310 E N 0.061 120.314 120.200 0.088 0.000 2.051 310 E HA -0.086 4.268 4.350 0.007 0.000 0.189 310 E C 2.001 178.692 176.600 0.152 0.000 0.979 310 E CA 0.621 57.086 56.400 0.109 0.000 0.803 310 E CB 0.010 29.771 29.700 0.102 0.000 0.761 310 E HN 0.292 8.652 8.360 -0.000 0.000 0.451 311 K N 1.152 121.629 120.400 0.128 0.000 2.218 311 K HA -0.163 4.161 4.320 0.007 0.000 0.205 311 K C 1.975 178.704 176.600 0.216 0.000 1.046 311 K CA 1.174 57.552 56.287 0.151 0.000 0.933 311 K CB -0.215 32.337 32.500 0.086 0.000 0.728 311 K HN 0.115 8.365 8.250 -0.000 0.000 0.454 312 N N 1.244 120.045 118.700 0.168 0.000 2.333 312 N HA -0.071 4.673 4.740 0.007 0.000 0.178 312 N C 1.679 177.312 175.510 0.205 0.000 1.018 312 N CA 0.572 53.726 53.050 0.173 0.000 0.882 312 N CB 0.264 38.812 38.487 0.102 0.000 0.984 312 N HN 0.185 8.565 8.380 -0.000 0.000 0.434 313 R N -0.407 120.188 120.500 0.160 0.000 2.057 313 R HA -0.038 4.306 4.340 0.007 0.000 0.229 313 R C 2.152 178.539 176.300 0.145 0.000 1.136 313 R CA 0.985 57.149 56.100 0.106 0.000 0.952 313 R CB -0.554 29.778 30.300 0.054 0.000 0.848 313 R HN 0.167 8.437 8.270 -0.000 0.000 0.430 314 F N 0.945 120.919 119.950 0.039 0.000 2.120 314 F HA -0.314 4.216 4.527 0.006 0.000 0.300 314 F C 2.480 178.296 175.800 0.027 0.000 1.095 314 F CA 2.264 60.263 58.000 -0.002 0.000 1.249 314 F CB -0.245 38.738 39.000 -0.029 0.000 0.995 314 F HN 0.150 8.450 8.300 -0.000 0.000 0.480 315 H N -1.607 117.633 119.070 0.284 0.000 2.353 315 H HA -0.215 4.345 4.556 0.007 0.000 0.300 315 H C 2.273 177.647 175.328 0.077 0.000 1.090 315 H CA 2.287 58.452 56.048 0.195 0.000 1.327 315 H CB -0.551 29.308 29.762 0.162 0.000 1.383 315 H HN 0.513 8.793 8.280 -0.000 0.000 0.508 316 H N -0.891 118.121 119.070 -0.097 0.000 2.353 316 H HA -0.105 4.455 4.556 0.007 0.000 0.300 316 H C 2.546 177.764 175.328 -0.184 0.000 1.090 316 H CA 1.883 57.859 56.048 -0.119 0.000 1.327 316 H CB -0.359 29.394 29.762 -0.016 0.000 1.383 316 H HN 0.309 8.589 8.280 -0.000 0.000 0.508 317 S N -0.510 115.158 115.700 -0.052 0.000 2.348 317 S HA -0.130 4.344 4.470 0.007 0.000 0.221 317 S C 2.393 176.795 174.600 -0.329 0.000 1.033 317 S CA 1.196 59.309 58.200 -0.145 0.000 1.010 317 S CB -0.810 62.246 63.200 -0.240 0.000 0.891 317 S HN 0.651 8.961 8.310 -0.000 0.000 0.442 318 A N 1.056 123.625 122.820 -0.418 0.000 1.930 318 A HA 0.289 4.613 4.320 0.007 0.000 0.217 318 A C 2.375 179.775 177.584 -0.307 0.000 1.175 318 A CA 1.689 53.500 52.037 -0.377 0.000 0.627 318 A CB -1.160 17.656 19.000 -0.307 0.000 0.815 318 A HN 0.761 8.911 8.150 -0.000 0.000 0.443 319 A N -1.516 121.079 122.820 -0.375 0.000 2.014 319 A HA 0.004 4.328 4.320 0.007 0.000 0.218 319 A C 2.191 179.591 177.584 -0.308 0.000 1.163 319 A CA 1.949 53.777 52.037 -0.349 0.000 0.652 319 A CB -0.897 17.844 19.000 -0.431 0.000 0.808 319 A HN 0.378 8.528 8.150 -0.000 0.000 0.449 320 T N 0.105 114.449 114.554 -0.350 0.000 2.904 320 T HA 0.023 4.377 4.350 0.007 0.000 0.267 320 T C 1.723 176.308 174.700 -0.193 0.000 1.059 320 T CA 1.161 63.093 62.100 -0.281 0.000 1.137 320 T CB -0.270 68.424 68.868 -0.290 0.000 0.879 320 T HN 0.393 8.633 8.240 -0.000 0.000 0.467 321 L N 0.258 121.361 121.223 -0.199 0.000 2.049 321 L HA 0.093 4.437 4.340 0.007 0.000 0.203 321 L C 2.558 179.326 176.870 -0.170 0.000 1.074 321 L CA 1.098 55.837 54.840 -0.168 0.000 0.749 321 L CB -0.426 41.534 42.059 -0.166 0.000 0.907 321 L HN 0.083 8.313 8.230 -0.000 0.000 0.439 322 K N -0.126 120.165 120.400 -0.181 0.000 2.442 322 K HA -0.140 4.184 4.320 0.007 0.000 0.200 322 K C 2.031 178.550 176.600 -0.135 0.000 1.045 322 K CA 1.119 57.307 56.287 -0.165 0.000 0.937 322 K CB 0.105 32.517 32.500 -0.147 0.000 0.757 322 K HN 0.246 8.496 8.250 -0.000 0.000 0.474 323 S N -0.256 115.367 115.700 -0.129 0.000 2.327 323 S HA -0.082 4.392 4.470 0.007 0.000 0.213 323 S C 1.842 176.397 174.600 -0.074 0.000 1.032 323 S CA 1.014 59.156 58.200 -0.096 0.000 0.960 323 S CB -0.167 62.970 63.200 -0.105 0.000 0.900 323 S HN 0.059 8.369 8.310 -0.000 0.000 0.469 324 V N 2.871 122.735 119.914 -0.083 0.000 2.546 324 V HA -0.176 3.948 4.120 0.007 0.000 0.254 324 V C 2.099 178.161 176.094 -0.054 0.000 1.076 324 V CA 1.371 63.632 62.300 -0.065 0.000 1.087 324 V CB -1.062 30.713 31.823 -0.080 0.000 0.674 324 V HN 0.368 8.558 8.190 -0.000 0.000 0.470 325 L N -0.134 121.037 121.223 -0.087 0.000 2.072 325 L HA -0.074 4.270 4.340 0.007 0.000 0.205 325 L C 2.615 179.507 176.870 0.037 0.000 1.079 325 L CA 1.631 56.419 54.840 -0.087 0.000 0.752 325 L CB -0.590 41.310 42.059 -0.266 0.000 0.906 325 L HN 0.382 8.612 8.230 -0.000 0.000 0.436 326 A N -0.350 122.466 122.820 -0.007 0.000 2.030 326 A HA -0.099 4.226 4.320 0.007 0.000 0.215 326 A C 2.286 179.891 177.584 0.035 0.000 1.164 326 A CA 0.641 52.686 52.037 0.013 0.000 0.697 326 A CB -0.287 18.701 19.000 -0.020 0.000 0.827 326 A HN 0.298 8.448 8.150 -0.000 0.000 0.457 327 R N 0.423 120.934 120.500 0.018 0.000 2.109 327 R HA -0.022 4.323 4.340 0.007 0.000 0.227 327 R C 1.744 178.079 176.300 0.059 0.000 1.132 327 R CA 1.574 57.687 56.100 0.022 0.000 0.907 327 R CB -0.652 29.649 30.300 0.002 0.000 0.825 327 R HN 0.395 8.665 8.270 -0.000 0.000 0.432 328 A N -0.760 122.097 122.820 0.062 0.000 2.550 328 A HA 0.227 4.552 4.320 0.007 0.000 0.238 328 A C 0.888 178.602 177.584 0.215 0.000 1.783 328 A CA 0.815 52.901 52.037 0.081 0.000 0.940 328 A CB -0.611 18.398 19.000 0.014 0.000 1.597 328 A HN 0.689 8.839 8.150 -0.000 0.000 0.713 329 F N -3.154 116.810 119.950 0.024 0.000 2.189 329 F HA -0.388 4.143 4.527 0.007 0.000 0.332 329 F C 1.872 177.730 175.800 0.096 0.000 0.485 329 F CA 2.855 60.895 58.000 0.066 0.000 0.910 329 F CB -1.673 37.366 39.000 0.065 0.000 4.103 329 F HN 1.360 9.660 8.300 -0.000 0.000 0.141 330 T N 0.456 115.295 114.554 0.475 0.000 7.103 330 T HA -0.374 3.980 4.350 0.007 0.000 0.229 330 T C 0.626 175.464 174.700 0.230 0.000 1.666 330 T CA 2.211 64.485 62.100 0.290 0.000 1.411 330 T CB -1.181 67.781 68.868 0.157 0.000 1.637 330 T HN 0.876 9.116 8.240 -0.000 0.000 0.518 331 R N 0.000 120.576 120.500 0.127 0.000 2.786 331 R HA 0.000 4.344 4.340 0.007 0.000 0.208 331 R CA 0.000 56.151 56.100 0.085 0.000 0.921 331 R CB 0.000 30.333 30.300 0.055 0.000 0.687 331 R HN 0.000 8.270 8.270 -0.000 0.000 0.535