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 2oky_1_A DATA FIRST_RESID 7 DATA SEQUENCE LFTGVVPILV ELDGDVNGHK FSVSGEGEGD ATYGKLTLKF ICTTGKLPVP DATA SEQUENCE WPTLVTTLXX XVQCFSRYPD HMKQHDFFKS AMPEGYVQER TIFFKDDGNY DATA SEQUENCE KTRAEVKFEG DTLVNRIELK GIDFKEDGNI LGHKLEYNYN SHNVYIMADK DATA SEQUENCE QKNGIKVNFK IRHNIEDGSV QLADHYQQNT PIGDGPVLLP DNHYLSTQCA DATA SEQUENCE LSKDPNEKRD HMVLLEFVTA AGI 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 7 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 7 L C 0.000 176.722 176.870 -0.246 0.000 1.165 7 L CA 0.000 54.720 54.840 -0.200 0.000 0.813 7 L CB 0.000 41.887 42.059 -0.287 0.000 0.961 8 F N 0.097 120.105 119.950 0.097 0.000 2.668 8 F HA 0.140 4.668 4.527 0.002 0.000 0.301 8 F C 2.093 177.975 175.800 0.136 0.000 1.106 8 F CA 0.742 58.830 58.000 0.146 0.000 1.289 8 F CB 0.565 39.616 39.000 0.085 0.000 1.006 8 F HN -0.067 8.233 8.300 -0.000 0.000 0.535 9 T N -1.071 113.604 114.554 0.202 0.000 2.699 9 T HA -0.061 4.291 4.350 0.002 0.000 0.268 9 T C 1.520 176.316 174.700 0.160 0.000 1.036 9 T CA 1.810 64.005 62.100 0.158 0.000 1.147 9 T CB -0.370 68.551 68.868 0.089 0.000 0.862 9 T HN 0.337 8.577 8.240 -0.000 0.000 0.446 10 G N 0.127 109.016 108.800 0.148 0.000 3.134 10 G HA2 0.528 4.489 3.960 0.002 0.000 0.158 10 G HA3 0.528 4.489 3.960 0.002 0.000 0.158 10 G C -0.940 174.068 174.900 0.180 0.000 1.334 10 G CA -0.207 44.976 45.100 0.138 0.000 1.001 10 G HN 0.300 8.590 8.290 -0.000 0.000 0.600 11 V N 0.483 120.473 119.914 0.126 0.000 2.370 11 V HA 0.468 4.589 4.120 0.002 0.000 0.279 11 V C -0.251 175.906 176.094 0.106 0.000 1.029 11 V CA -0.427 61.935 62.300 0.103 0.000 0.870 11 V CB 1.157 33.001 31.823 0.035 0.000 0.984 11 V HN 0.317 8.507 8.190 -0.000 0.000 0.451 12 V N 8.118 128.128 119.914 0.160 0.000 2.547 12 V HA 0.472 4.593 4.120 0.002 0.000 0.299 12 V C -2.118 174.023 176.094 0.078 0.000 1.040 12 V CA -1.954 60.456 62.300 0.183 0.000 0.913 12 V CB 2.367 34.430 31.823 0.401 0.000 0.992 12 V HN 0.739 8.929 8.190 -0.000 0.000 0.449 13 P HA 0.327 4.747 4.420 -0.000 0.000 0.276 13 P C -0.967 176.347 177.300 0.023 0.000 1.235 13 P CA 0.133 63.243 63.100 0.017 0.000 0.772 13 P CB 0.831 32.547 31.700 0.026 0.000 0.871 14 I N 3.712 124.251 120.570 -0.052 0.000 2.433 14 I HA 0.389 4.560 4.170 0.002 0.000 0.292 14 I C -0.006 176.081 176.117 -0.051 0.000 1.001 14 I CA -1.012 60.262 61.300 -0.043 0.000 1.119 14 I CB 1.953 39.880 38.000 -0.123 0.000 1.289 14 I HN 0.181 8.391 8.210 -0.000 0.000 0.438 15 L N 7.030 128.245 121.223 -0.013 0.000 2.385 15 L HA 0.602 4.943 4.340 0.002 0.000 0.273 15 L C -0.997 175.890 176.870 0.027 0.000 0.990 15 L CA -0.478 54.355 54.840 -0.012 0.000 0.821 15 L CB 1.955 44.015 42.059 0.002 0.000 1.279 15 L HN 0.276 8.506 8.230 -0.000 0.000 0.412 16 V N 3.968 123.913 119.914 0.050 0.000 2.409 16 V HA 0.559 4.680 4.120 0.002 0.000 0.291 16 V C -0.691 175.493 176.094 0.151 0.000 1.020 16 V CA -0.650 61.739 62.300 0.149 0.000 0.848 16 V CB 1.523 33.551 31.823 0.342 0.000 0.990 16 V HN 0.585 8.775 8.190 -0.000 0.000 0.430 17 E N 4.138 124.409 120.200 0.118 0.000 2.145 17 E HA 0.493 4.844 4.350 0.002 0.000 0.262 17 E C -1.224 175.427 176.600 0.085 0.000 0.883 17 E CA -0.616 55.842 56.400 0.096 0.000 0.748 17 E CB 2.207 31.940 29.700 0.056 0.000 1.140 17 E HN 0.499 8.859 8.360 -0.000 0.000 0.417 18 L N 3.497 124.777 121.223 0.095 0.000 2.316 18 L HA 0.405 4.746 4.340 0.002 0.000 0.280 18 L C -0.878 175.968 176.870 -0.039 0.000 1.006 18 L CA -0.564 54.303 54.840 0.045 0.000 0.836 18 L CB 1.421 43.536 42.059 0.093 0.000 1.221 18 L HN 0.168 8.398 8.230 -0.000 0.000 0.418 19 D N 3.664 124.002 120.400 -0.103 0.000 2.396 19 D HA 0.583 5.225 4.640 0.002 0.000 0.225 19 D C -0.104 175.980 176.300 -0.360 0.000 1.121 19 D CA 0.045 53.932 54.000 -0.187 0.000 0.853 19 D CB 1.118 41.846 40.800 -0.120 0.000 1.043 19 D HN 0.705 9.075 8.370 -0.000 0.000 0.500 20 G N 2.130 110.505 108.800 -0.708 0.000 2.453 20 G HA2 0.485 4.446 3.960 0.002 0.000 0.323 20 G HA3 0.485 4.446 3.960 0.002 0.000 0.323 20 G C -1.249 173.071 174.900 -0.967 0.000 1.198 20 G CA -0.683 43.728 45.100 -1.147 0.000 0.959 20 G HN 0.402 8.692 8.290 -0.000 0.000 0.482 21 D N 0.804 120.873 120.400 -0.552 0.000 2.323 21 D HA 0.285 4.926 4.640 0.002 0.000 0.242 21 D C -1.159 175.127 176.300 -0.024 0.000 1.347 21 D CA -0.289 53.589 54.000 -0.203 0.000 0.988 21 D CB 1.444 42.160 40.800 -0.141 0.000 1.314 21 D HN 0.172 8.542 8.370 -0.000 0.000 0.564 22 V N 4.476 124.477 119.914 0.146 0.000 2.334 22 V HA 0.358 4.479 4.120 0.002 0.000 0.281 22 V C 0.337 176.572 176.094 0.235 0.000 1.016 22 V CA -0.680 61.733 62.300 0.188 0.000 0.832 22 V CB 0.980 32.878 31.823 0.125 0.000 0.999 22 V HN 0.654 8.844 8.190 -0.000 0.000 0.439 23 N N 4.288 123.120 118.700 0.219 0.000 2.754 23 N HA -0.198 4.544 4.740 0.002 0.000 0.248 23 N C 1.190 176.705 175.510 0.009 0.000 1.093 23 N CA 1.717 54.869 53.050 0.170 0.000 0.699 23 N CB -1.150 37.496 38.487 0.265 0.000 1.016 23 N HN 1.359 9.739 8.380 -0.000 0.000 0.552 24 G N -1.869 106.934 108.800 0.005 0.000 2.245 24 G HA2 -0.389 3.572 3.960 0.002 0.000 0.264 24 G HA3 -0.389 3.572 3.960 0.002 0.000 0.264 24 G C -0.002 174.841 174.900 -0.094 0.000 0.985 24 G CA 0.711 45.767 45.100 -0.072 0.000 0.625 24 G HN 0.734 9.024 8.290 -0.000 0.000 0.536 25 H N 1.796 120.897 119.070 0.051 0.000 2.955 25 H HA 0.469 5.026 4.556 0.002 0.000 0.290 25 H C 0.730 176.131 175.328 0.121 0.000 1.047 25 H CA 0.401 56.494 56.048 0.074 0.000 1.484 25 H CB 0.566 30.369 29.762 0.068 0.000 1.501 25 H HN 0.280 8.560 8.280 -0.000 0.000 0.521 26 K N 4.150 124.650 120.400 0.167 0.000 2.118 26 K HA 0.415 4.736 4.320 0.002 0.000 0.267 26 K C -0.780 175.926 176.600 0.176 0.000 0.991 26 K CA -0.635 55.686 56.287 0.056 0.000 0.916 26 K CB 1.403 33.892 32.500 -0.018 0.000 1.041 26 K HN 0.482 8.732 8.250 -0.000 0.000 0.455 27 F N -2.480 117.451 119.950 -0.032 0.000 2.693 27 F HA 0.547 5.076 4.527 0.002 0.000 0.309 27 F C -0.998 174.784 175.800 -0.031 0.000 1.129 27 F CA -0.963 57.013 58.000 -0.039 0.000 0.948 27 F CB 1.508 40.459 39.000 -0.082 0.000 1.315 27 F HN 0.232 8.532 8.300 -0.000 0.000 0.447 28 S N 0.877 116.681 115.700 0.174 0.000 2.548 28 S HA 0.878 5.349 4.470 0.002 0.000 0.286 28 S C -1.491 173.243 174.600 0.223 0.000 1.098 28 S CA -0.705 57.555 58.200 0.101 0.000 0.930 28 S CB 2.211 65.448 63.200 0.061 0.000 1.070 28 S HN 0.640 8.950 8.310 -0.000 0.000 0.480 29 V N 1.980 122.023 119.914 0.215 0.000 2.808 29 V HA 0.628 4.749 4.120 0.002 0.000 0.308 29 V C -0.617 175.637 176.094 0.266 0.000 1.099 29 V CA -0.549 61.931 62.300 0.299 0.000 0.920 29 V CB 2.270 34.309 31.823 0.359 0.000 1.014 29 V HN 0.806 8.996 8.190 -0.000 0.000 0.425 30 S N 1.834 117.701 115.700 0.278 0.000 2.521 30 S HA 0.893 5.364 4.470 0.002 0.000 0.295 30 S C 0.008 174.732 174.600 0.207 0.000 1.098 30 S CA -0.352 57.968 58.200 0.201 0.000 0.999 30 S CB 1.934 65.204 63.200 0.116 0.000 1.034 30 S HN 1.172 9.482 8.310 -0.000 0.000 0.483 31 G N 1.120 109.984 108.800 0.105 0.000 2.612 31 G HA2 0.704 4.665 3.960 0.002 0.000 0.298 31 G HA3 0.704 4.665 3.960 0.002 0.000 0.298 31 G C -1.674 173.076 174.900 -0.250 0.000 1.336 31 G CA -0.511 44.444 45.100 -0.240 0.000 0.953 31 G HN 0.601 8.891 8.290 -0.000 0.000 0.482 32 E N -0.326 119.661 120.200 -0.356 0.000 2.412 32 E HA 0.694 5.045 4.350 0.002 0.000 0.279 32 E C -0.087 176.347 176.600 -0.277 0.000 0.984 32 E CA -0.249 56.010 56.400 -0.235 0.000 0.788 32 E CB 2.205 31.820 29.700 -0.142 0.000 1.277 32 E HN 1.279 9.639 8.360 -0.000 0.000 0.455 33 G N 1.659 110.332 108.800 -0.211 0.000 2.404 33 G HA2 0.258 4.219 3.960 0.002 0.000 0.253 33 G HA3 0.258 4.219 3.960 0.002 0.000 0.253 33 G C -1.515 173.265 174.900 -0.200 0.000 1.253 33 G CA -0.587 44.384 45.100 -0.215 0.000 0.917 33 G HN 0.516 8.806 8.290 -0.000 0.000 0.480 34 E N -1.403 118.654 120.200 -0.238 0.000 2.383 34 E HA 0.591 4.942 4.350 0.002 0.000 0.275 34 E C -0.624 175.729 176.600 -0.411 0.000 0.918 34 E CA -0.776 55.466 56.400 -0.263 0.000 0.764 34 E CB 2.602 32.199 29.700 -0.172 0.000 1.252 34 E HN 0.907 9.267 8.360 -0.000 0.000 0.449 35 G N 0.759 109.200 108.800 -0.599 0.000 2.617 35 G HA2 0.426 4.387 3.960 0.002 0.000 0.306 35 G HA3 0.426 4.387 3.960 0.002 0.000 0.306 35 G C -1.600 173.127 174.900 -0.289 0.000 1.360 35 G CA -0.415 44.154 45.100 -0.885 0.000 0.983 35 G HN 0.371 8.661 8.290 -0.000 0.000 0.496 36 D N 1.759 122.156 120.400 -0.004 0.000 2.461 36 D HA 0.504 5.145 4.640 0.002 0.000 0.240 36 D C 1.096 177.613 176.300 0.362 0.000 1.094 36 D CA -0.162 53.967 54.000 0.216 0.000 0.868 36 D CB 1.616 42.496 40.800 0.133 0.000 1.062 36 D HN 0.339 8.709 8.370 -0.000 0.000 0.530 37 A N 2.862 125.974 122.820 0.487 0.000 1.930 37 A HA -0.104 4.217 4.320 0.002 0.000 0.217 37 A C 1.946 179.683 177.584 0.255 0.000 1.175 37 A CA 1.516 53.768 52.037 0.358 0.000 0.627 37 A CB -0.378 18.767 19.000 0.240 0.000 0.815 37 A HN 0.582 8.732 8.150 -0.000 0.000 0.443 38 T N -1.669 113.032 114.554 0.246 0.000 2.821 38 T HA -0.136 4.215 4.350 0.002 0.000 0.267 38 T C 1.809 176.616 174.700 0.178 0.000 1.046 38 T CA 1.633 63.842 62.100 0.183 0.000 1.139 38 T CB -0.360 68.601 68.868 0.155 0.000 0.871 38 T HN 0.541 8.781 8.240 -0.000 0.000 0.454 39 Y N 1.382 121.758 120.300 0.126 0.000 2.220 39 Y HA 0.232 4.783 4.550 0.002 0.000 0.291 39 Y C 1.720 177.708 175.900 0.146 0.000 1.129 39 Y CA 0.722 58.897 58.100 0.125 0.000 1.161 39 Y CB -0.333 38.209 38.460 0.136 0.000 0.997 39 Y HN 0.347 8.627 8.280 -0.000 0.000 0.522 40 G N 0.866 109.916 108.800 0.417 0.000 2.207 40 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 40 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 40 G C -0.066 175.021 174.900 0.310 0.000 1.053 40 G CA 0.185 45.471 45.100 0.309 0.000 0.764 40 G HN 0.432 8.722 8.290 -0.000 0.000 0.495 41 K N -0.282 120.238 120.400 0.200 0.000 2.316 41 K HA 0.860 5.181 4.320 0.002 0.000 0.251 41 K C -0.477 175.992 176.600 -0.219 0.000 0.934 41 K CA -1.047 55.177 56.287 -0.105 0.000 0.802 41 K CB 1.283 33.640 32.500 -0.239 0.000 1.171 41 K HN 0.159 8.409 8.250 -0.000 0.000 0.426 42 L N 1.824 122.840 121.223 -0.344 0.000 2.388 42 L HA 0.538 4.879 4.340 0.002 0.000 0.264 42 L C -0.891 175.782 176.870 -0.329 0.000 0.998 42 L CA -0.807 53.837 54.840 -0.327 0.000 0.817 42 L CB 2.504 44.414 42.059 -0.248 0.000 1.338 42 L HN 0.834 9.064 8.230 -0.000 0.000 0.414 43 T N 0.655 115.038 114.554 -0.285 0.000 2.949 43 T HA 0.803 5.154 4.350 0.002 0.000 0.300 43 T C -0.851 173.712 174.700 -0.229 0.000 0.988 43 T CA -0.601 61.356 62.100 -0.238 0.000 0.993 43 T CB 0.912 69.653 68.868 -0.211 0.000 0.984 43 T HN 0.372 8.612 8.240 -0.000 0.000 0.442 44 L N 1.482 122.577 121.223 -0.213 0.000 2.359 44 L HA 0.746 5.088 4.340 0.002 0.000 0.256 44 L C -0.625 176.044 176.870 -0.335 0.000 1.026 44 L CA -1.181 53.463 54.840 -0.327 0.000 0.828 44 L CB 2.769 44.563 42.059 -0.442 0.000 1.406 44 L HN 0.622 8.852 8.230 -0.000 0.000 0.413 45 K N 0.828 120.935 120.400 -0.488 0.000 2.427 45 K HA 0.670 4.991 4.320 0.002 0.000 0.252 45 K C -1.966 174.323 176.600 -0.520 0.000 0.931 45 K CA -0.430 55.658 56.287 -0.331 0.000 0.793 45 K CB 1.656 34.049 32.500 -0.179 0.000 1.211 45 K HN 0.327 8.577 8.250 -0.000 0.000 0.426 46 F N 4.059 123.951 119.950 -0.098 0.000 2.520 46 F HA 0.515 5.044 4.527 0.002 0.000 0.322 46 F C -0.172 175.620 175.800 -0.013 0.000 1.103 46 F CA -1.032 56.942 58.000 -0.044 0.000 0.926 46 F CB 1.430 40.410 39.000 -0.033 0.000 1.154 46 F HN 0.160 8.460 8.300 -0.000 0.000 0.453 47 I N 2.005 122.766 120.570 0.318 0.000 2.509 47 I HA 0.197 4.368 4.170 0.002 0.000 0.293 47 I C -0.566 175.800 176.117 0.414 0.000 1.020 47 I CA -1.102 60.387 61.300 0.314 0.000 1.088 47 I CB 1.524 39.625 38.000 0.167 0.000 1.267 47 I HN 0.598 8.808 8.210 -0.000 0.000 0.430 48 C N 5.750 125.321 119.300 0.452 0.000 2.373 48 C HA 0.381 4.842 4.460 0.002 0.000 0.354 48 C C 1.599 176.712 174.990 0.204 0.000 1.249 48 C CA -0.148 59.061 59.018 0.318 0.000 1.784 48 C CB -0.839 27.030 27.740 0.215 0.000 2.408 48 C HN 0.939 9.169 8.230 -0.000 0.000 0.542 49 T N 0.795 115.454 114.554 0.174 0.000 3.206 49 T HA 0.073 4.424 4.350 0.002 0.000 0.253 49 T C 0.958 175.716 174.700 0.097 0.000 1.042 49 T CA 0.598 62.770 62.100 0.120 0.000 0.931 49 T CB -0.425 68.505 68.868 0.103 0.000 1.029 49 T HN 0.857 9.097 8.240 -0.000 0.000 0.564 50 T N -3.384 111.234 114.554 0.106 0.000 3.058 50 T HA 0.648 5.000 4.350 0.002 0.000 0.278 50 T C 1.098 175.842 174.700 0.074 0.000 0.974 50 T CA 0.124 62.277 62.100 0.088 0.000 0.893 50 T CB 0.700 69.632 68.868 0.107 0.000 1.138 50 T HN 0.821 9.061 8.240 -0.000 0.000 0.529 51 G N 1.413 110.257 108.800 0.072 0.000 2.217 51 G HA2 0.145 4.106 3.960 0.002 0.000 0.173 51 G HA3 0.145 4.106 3.960 0.002 0.000 0.173 51 G C -1.574 173.348 174.900 0.036 0.000 1.324 51 G CA -0.932 44.198 45.100 0.049 0.000 1.225 51 G HN 0.398 8.688 8.290 -0.000 0.000 0.494 52 K N -0.154 120.246 120.400 0.001 0.000 2.295 52 K HA 0.599 4.920 4.320 0.002 0.000 0.270 52 K C -0.075 176.456 176.600 -0.115 0.000 1.011 52 K CA -0.342 55.918 56.287 -0.045 0.000 0.953 52 K CB 1.011 33.471 32.500 -0.066 0.000 0.956 52 K HN 0.523 8.773 8.250 -0.000 0.000 0.477 53 L N 6.651 127.744 121.223 -0.216 0.000 2.290 53 L HA 0.302 4.643 4.340 0.002 0.000 0.284 53 L C -1.692 174.932 176.870 -0.409 0.000 1.078 53 L CA -1.455 53.107 54.840 -0.463 0.000 0.815 53 L CB 1.047 42.629 42.059 -0.795 0.000 1.162 53 L HN 0.651 8.881 8.230 -0.000 0.000 0.435 54 P HA -0.039 4.381 4.420 -0.000 0.000 0.233 54 P C -0.206 176.810 177.300 -0.474 0.000 1.167 54 P CA 0.691 63.548 63.100 -0.405 0.000 0.770 54 P CB 0.030 31.493 31.700 -0.395 0.000 0.837 55 V N -5.408 114.166 119.914 -0.567 0.000 3.126 55 V HA 0.685 4.806 4.120 0.002 0.000 0.314 55 V C -3.141 172.704 176.094 -0.414 0.000 1.138 55 V CA -3.368 58.585 62.300 -0.579 0.000 1.034 55 V CB 1.197 32.695 31.823 -0.541 0.000 1.075 55 V HN -0.343 7.847 8.190 -0.000 0.000 0.442 56 P HA 0.229 4.649 4.420 -0.000 0.000 0.275 56 P C -0.213 177.018 177.300 -0.114 0.000 1.227 56 P CA 0.136 63.179 63.100 -0.095 0.000 0.781 56 P CB 0.474 32.133 31.700 -0.069 0.000 0.906 57 W N 3.641 124.976 121.300 0.059 0.000 2.338 57 W HA -0.123 4.538 4.660 0.002 0.000 0.304 57 W C -0.689 175.856 176.519 0.044 0.000 1.212 57 W CA 1.407 58.784 57.345 0.053 0.000 1.264 57 W CB -2.230 27.342 29.460 0.186 0.000 1.142 57 W HN 0.560 8.740 8.180 -0.000 0.000 0.512 58 P HA -0.209 4.211 4.420 -0.000 0.000 0.218 58 P C 1.654 179.181 177.300 0.379 0.000 1.148 58 P CA 2.843 66.153 63.100 0.349 0.000 0.822 58 P CB -0.553 31.335 31.700 0.314 0.000 0.784 59 T N -3.466 111.162 114.554 0.123 0.000 2.977 59 T HA -0.068 4.283 4.350 0.002 0.000 0.271 59 T C 1.454 176.420 174.700 0.444 0.000 1.105 59 T CA 0.966 63.211 62.100 0.240 0.000 1.116 59 T CB -0.975 67.928 68.868 0.059 0.000 0.878 59 T HN 0.073 8.313 8.240 -0.000 0.000 0.509 60 L N 0.160 121.557 121.223 0.290 0.000 2.616 60 L HA 0.277 4.618 4.340 0.002 0.000 0.229 60 L C 2.413 179.375 176.870 0.153 0.000 1.110 60 L CA -0.146 54.828 54.840 0.224 0.000 0.884 60 L CB 0.143 42.247 42.059 0.075 0.000 1.115 60 L HN 0.105 8.335 8.230 -0.000 0.000 0.481 61 V N 0.338 120.345 119.914 0.155 0.000 2.332 61 V HA -0.320 3.802 4.120 0.002 0.000 0.248 61 V C 2.749 178.875 176.094 0.053 0.000 1.055 61 V CA 2.665 64.951 62.300 -0.023 0.000 1.038 61 V CB -0.998 30.652 31.823 -0.289 0.000 0.651 61 V HN 0.688 8.878 8.190 -0.000 0.000 0.450 62 T N -3.313 111.381 114.554 0.233 0.000 2.915 62 T HA -0.162 4.189 4.350 0.002 0.000 0.269 62 T C 1.713 176.563 174.700 0.249 0.000 1.071 62 T CA 1.799 64.067 62.100 0.281 0.000 1.132 62 T CB -0.480 68.699 68.868 0.519 0.000 0.878 62 T HN 0.477 8.717 8.240 -0.000 0.000 0.479 63 T N 2.064 116.753 114.554 0.225 0.000 2.770 63 T HA 0.275 4.626 4.350 0.002 0.000 0.258 63 T C 1.043 175.812 174.700 0.116 0.000 1.039 63 T CA 0.318 62.523 62.100 0.175 0.000 1.143 63 T CB -0.413 68.550 68.868 0.158 0.000 0.866 63 T HN 0.297 8.537 8.240 -0.000 0.000 0.428 69 Q N 0.428 120.112 119.800 -0.193 0.000 2.508 69 Q HA -0.074 4.267 4.340 0.002 0.000 0.214 69 Q C 1.987 177.627 176.000 -0.600 0.000 0.979 69 Q CA 1.728 57.189 55.803 -0.570 0.000 0.911 69 Q CB -0.119 27.901 28.738 -1.197 0.000 0.969 69 Q HN 1.117 9.387 8.270 -0.000 0.000 0.504 70 C N -1.543 117.533 119.300 -0.372 0.000 2.485 70 C HA 0.052 4.513 4.460 0.002 0.000 0.283 70 C C 1.390 175.861 174.990 -0.865 0.000 1.478 70 C CA -0.424 58.299 59.018 -0.492 0.000 1.741 70 C CB -1.373 26.054 27.740 -0.522 0.000 1.675 70 C HN 0.237 8.467 8.230 -0.000 0.000 0.573 71 F N 1.736 121.556 119.950 -0.217 0.000 2.693 71 F HA 0.246 4.775 4.527 0.002 0.000 0.303 71 F C 1.471 177.238 175.800 -0.056 0.000 1.097 71 F CA -0.148 57.784 58.000 -0.113 0.000 1.330 71 F CB -0.389 38.597 39.000 -0.023 0.000 1.067 71 F HN 0.037 8.337 8.300 -0.000 0.000 0.565 72 S N 0.787 116.495 115.700 0.013 0.000 2.576 72 S HA 0.166 4.638 4.470 0.002 0.000 0.276 72 S C 0.450 175.114 174.600 0.106 0.000 1.339 72 S CA -0.574 57.650 58.200 0.040 0.000 1.039 72 S CB 0.670 63.869 63.200 -0.002 0.000 0.902 72 S HN 0.263 8.573 8.310 -0.000 0.000 0.516 73 R N 1.983 122.511 120.500 0.046 0.000 2.202 73 R HA 0.215 4.556 4.340 0.002 0.000 0.334 73 R C -1.679 174.606 176.300 -0.025 0.000 1.036 73 R CA -0.217 55.924 56.100 0.068 0.000 0.878 73 R CB 0.191 30.525 30.300 0.056 0.000 1.067 73 R HN 0.580 8.850 8.270 -0.000 0.000 0.457 74 Y N 6.276 126.573 120.300 -0.005 0.000 2.353 74 Y HA 0.316 4.867 4.550 0.002 0.000 0.340 74 Y C -1.761 174.102 175.900 -0.062 0.000 0.972 74 Y CA -2.314 55.764 58.100 -0.035 0.000 1.157 74 Y CB 1.449 39.891 38.460 -0.030 0.000 1.157 74 Y HN 0.624 8.904 8.280 -0.000 0.000 0.495 75 P HA -0.108 4.312 4.420 -0.000 0.000 0.269 75 P C 0.742 178.027 177.300 -0.026 0.000 1.211 75 P CA 0.170 63.276 63.100 0.011 0.000 0.781 75 P CB 0.915 32.684 31.700 0.115 0.000 0.877 76 D N 0.490 120.930 120.400 0.067 0.000 2.133 76 D HA -0.203 4.438 4.640 0.002 0.000 0.195 76 D C 1.385 177.708 176.300 0.037 0.000 0.997 76 D CA 1.283 55.319 54.000 0.059 0.000 0.840 76 D CB -0.282 40.568 40.800 0.083 0.000 0.947 76 D HN 0.584 8.954 8.370 -0.000 0.000 0.452 77 H N -0.885 118.217 119.070 0.054 0.000 2.562 77 H HA 0.052 4.609 4.556 0.002 0.000 0.272 77 H C 1.065 176.452 175.328 0.099 0.000 1.019 77 H CA 0.328 56.411 56.048 0.059 0.000 1.160 77 H CB -0.394 29.393 29.762 0.041 0.000 1.334 77 H HN 0.235 8.515 8.280 -0.000 0.000 0.611 78 M N 0.082 119.460 119.600 -0.370 0.000 2.410 78 M HA 0.126 4.607 4.480 0.002 0.000 0.376 78 M C 1.010 177.324 176.300 0.023 0.000 1.051 78 M CA -0.303 54.920 55.300 -0.127 0.000 0.949 78 M CB 0.811 33.293 32.600 -0.196 0.000 1.577 78 M HN -0.110 8.180 8.290 -0.000 0.000 0.560 79 K N 1.159 121.539 120.400 -0.033 0.000 2.113 79 K HA -0.172 4.149 4.320 0.002 0.000 0.208 79 K C 1.565 178.066 176.600 -0.164 0.000 1.047 79 K CA 1.624 57.865 56.287 -0.076 0.000 0.928 79 K CB -0.428 32.044 32.500 -0.048 0.000 0.716 79 K HN 0.566 8.816 8.250 -0.000 0.000 0.446 80 Q N -0.065 119.621 119.800 -0.190 0.000 2.181 80 Q HA -0.144 4.197 4.340 0.002 0.000 0.205 80 Q C 1.073 176.744 176.000 -0.548 0.000 0.980 80 Q CA 1.119 56.709 55.803 -0.356 0.000 0.862 80 Q CB -0.184 28.299 28.738 -0.424 0.000 0.905 80 Q HN 0.547 8.817 8.270 -0.000 0.000 0.429 81 H N -0.083 118.871 119.070 -0.194 0.000 2.567 81 H HA 0.140 4.697 4.556 0.002 0.000 0.294 81 H C -0.486 174.606 175.328 -0.394 0.000 1.050 81 H CA 0.102 56.001 56.048 -0.248 0.000 1.168 81 H CB 0.042 29.608 29.762 -0.326 0.000 1.422 81 H HN 0.117 8.397 8.280 -0.000 0.000 0.562 82 D N 0.636 120.752 120.400 -0.473 0.000 2.485 82 D HA -0.009 4.632 4.640 0.002 0.000 0.221 82 D C 0.863 176.957 176.300 -0.343 0.000 1.112 82 D CA -0.568 53.010 54.000 -0.703 0.000 0.911 82 D CB -0.130 40.163 40.800 -0.846 0.000 1.019 82 D HN 0.054 8.424 8.370 -0.000 0.000 0.516 83 F N 3.545 123.245 119.950 -0.416 0.000 2.113 83 F HA -0.075 4.453 4.527 0.001 0.000 0.297 83 F C 1.230 176.793 175.800 -0.396 0.000 1.103 83 F CA 1.284 59.028 58.000 -0.426 0.000 1.248 83 F CB -0.194 38.472 39.000 -0.557 0.000 0.999 83 F HN 0.267 8.567 8.300 -0.000 0.000 0.475 84 F N 1.210 121.068 119.950 -0.153 0.000 2.087 84 F HA -0.240 4.288 4.527 0.002 0.000 0.299 84 F C 2.459 178.149 175.800 -0.183 0.000 1.100 84 F CA 2.003 59.872 58.000 -0.218 0.000 1.226 84 F CB -1.127 37.836 39.000 -0.061 0.000 0.983 84 F HN -0.091 8.209 8.300 -0.000 0.000 0.479 85 K N 0.108 120.470 120.400 -0.065 0.000 2.103 85 K HA -0.096 4.225 4.320 0.002 0.000 0.204 85 K C 2.322 178.906 176.600 -0.027 0.000 1.052 85 K CA 1.376 57.619 56.287 -0.073 0.000 0.945 85 K CB -0.379 32.011 32.500 -0.184 0.000 0.722 85 K HN 0.339 8.589 8.250 -0.000 0.000 0.443 86 S N 0.868 116.469 115.700 -0.166 0.000 2.419 86 S HA -0.104 4.367 4.470 0.002 0.000 0.233 86 S C 2.022 176.518 174.600 -0.173 0.000 1.016 86 S CA 1.039 59.142 58.200 -0.161 0.000 0.974 86 S CB -0.147 62.927 63.200 -0.211 0.000 0.786 86 S HN 0.263 8.573 8.310 -0.000 0.000 0.492 87 A N 0.884 123.534 122.820 -0.284 0.000 2.238 87 A HA 0.407 4.728 4.320 0.002 0.000 0.208 87 A C 0.960 178.557 177.584 0.022 0.000 1.177 87 A CA 0.102 52.020 52.037 -0.198 0.000 0.804 87 A CB -0.335 18.443 19.000 -0.369 0.000 0.823 87 A HN 0.470 8.620 8.150 -0.000 0.000 0.482 88 M N 0.116 119.777 119.600 0.102 0.000 2.291 88 M HA 0.232 4.713 4.480 0.002 0.000 0.324 88 M C -1.768 174.629 176.300 0.163 0.000 1.148 88 M CA -2.295 53.135 55.300 0.216 0.000 1.104 88 M CB 0.426 33.284 32.600 0.429 0.000 1.483 88 M HN -0.017 8.273 8.290 -0.000 0.000 0.467 89 P HA 0.076 4.496 4.420 -0.000 0.000 0.261 89 P C 0.115 177.515 177.300 0.167 0.000 1.268 89 P CA 0.566 63.840 63.100 0.291 0.000 0.833 89 P CB 0.377 32.191 31.700 0.190 0.000 1.231 90 E N 0.814 121.074 120.200 0.100 0.000 2.106 90 E HA 0.140 4.491 4.350 0.002 0.000 0.192 90 E C 1.513 178.149 176.600 0.061 0.000 0.984 90 E CA 1.270 57.711 56.400 0.069 0.000 0.806 90 E CB -0.902 28.830 29.700 0.054 0.000 0.750 90 E HN 0.347 8.707 8.360 -0.000 0.000 0.458 91 G N -0.347 108.494 108.800 0.067 0.000 2.627 91 G HA2 -0.074 3.887 3.960 0.002 0.000 0.214 91 G HA3 -0.074 3.887 3.960 0.002 0.000 0.214 91 G C -0.947 174.021 174.900 0.114 0.000 1.331 91 G CA -0.403 44.702 45.100 0.008 0.000 0.891 91 G HN 0.368 8.658 8.290 -0.000 0.000 0.539 92 Y N -3.476 116.877 120.300 0.088 0.000 2.609 92 Y HA 0.713 5.264 4.550 0.002 0.000 0.336 92 Y C -0.296 175.692 175.900 0.147 0.000 1.129 92 Y CA -1.471 56.714 58.100 0.141 0.000 1.040 92 Y CB 0.977 39.574 38.460 0.227 0.000 1.310 92 Y HN 0.842 9.122 8.280 -0.000 0.000 0.460 93 V N 2.748 122.887 119.914 0.376 0.000 2.407 93 V HA 0.355 4.476 4.120 0.002 0.000 0.278 93 V C -0.386 175.925 176.094 0.360 0.000 1.037 93 V CA -0.504 61.956 62.300 0.267 0.000 0.900 93 V CB 1.126 33.058 31.823 0.181 0.000 0.983 93 V HN 0.828 9.018 8.190 -0.000 0.000 0.459 94 Q N 3.981 123.981 119.800 0.334 0.000 2.347 94 Q HA 0.459 4.800 4.340 0.002 0.000 0.262 94 Q C -0.687 175.439 176.000 0.211 0.000 0.980 94 Q CA -0.371 55.627 55.803 0.325 0.000 0.867 94 Q CB 1.231 30.202 28.738 0.388 0.000 1.242 94 Q HN 0.802 9.072 8.270 -0.000 0.000 0.453 95 E N 3.414 123.721 120.200 0.179 0.000 2.212 95 E HA 0.580 4.931 4.350 0.002 0.000 0.268 95 E C -0.979 175.704 176.600 0.139 0.000 0.902 95 E CA -0.808 55.674 56.400 0.136 0.000 0.779 95 E CB 1.968 31.733 29.700 0.107 0.000 1.172 95 E HN 0.476 8.836 8.360 -0.000 0.000 0.409 96 R N 0.824 121.392 120.500 0.113 0.000 2.739 96 R HA 0.509 4.851 4.340 0.002 0.000 0.271 96 R C -1.243 175.076 176.300 0.031 0.000 1.010 96 R CA -0.838 55.320 56.100 0.098 0.000 0.897 96 R CB 2.485 32.849 30.300 0.107 0.000 1.236 96 R HN 0.377 8.647 8.270 -0.000 0.000 0.466 97 T N 2.364 116.915 114.554 -0.005 0.000 2.881 97 T HA 0.508 4.859 4.350 0.002 0.000 0.291 97 T C -0.405 174.092 174.700 -0.338 0.000 0.990 97 T CA -0.481 61.505 62.100 -0.189 0.000 0.976 97 T CB 0.826 69.588 68.868 -0.176 0.000 0.970 97 T HN 0.296 8.536 8.240 -0.000 0.000 0.438 98 I N 3.658 123.912 120.570 -0.527 0.000 2.389 98 I HA 0.473 4.644 4.170 0.002 0.000 0.288 98 I C -1.010 174.641 176.117 -0.777 0.000 0.999 98 I CA -0.840 60.045 61.300 -0.693 0.000 1.129 98 I CB 1.365 38.908 38.000 -0.762 0.000 1.288 98 I HN 0.529 8.739 8.210 -0.000 0.000 0.444 99 F N 5.764 125.505 119.950 -0.349 0.000 2.388 99 F HA 0.443 4.971 4.527 0.002 0.000 0.358 99 F C -0.263 175.332 175.800 -0.342 0.000 1.122 99 F CA -0.538 57.325 58.000 -0.228 0.000 1.056 99 F CB 0.882 39.849 39.000 -0.054 0.000 1.155 99 F HN 0.210 8.510 8.300 -0.000 0.000 0.461 100 F N 2.632 122.599 119.950 0.029 0.000 2.404 100 F HA 0.288 4.817 4.527 0.002 0.000 0.358 100 F C 0.606 176.426 175.800 0.033 0.000 1.120 100 F CA -1.084 56.933 58.000 0.029 0.000 1.144 100 F CB 0.889 39.906 39.000 0.028 0.000 1.133 100 F HN 0.303 8.603 8.300 -0.000 0.000 0.495 101 K N 4.178 124.674 120.400 0.160 0.000 2.441 101 K HA -0.156 4.166 4.320 0.002 0.000 0.273 101 K C 0.357 177.014 176.600 0.094 0.000 1.090 101 K CA 0.746 57.092 56.287 0.098 0.000 1.158 101 K CB -0.297 32.248 32.500 0.074 0.000 0.847 101 K HN 0.659 8.909 8.250 -0.000 0.000 0.483 102 D N 2.284 122.716 120.400 0.053 0.000 2.751 102 D HA -0.237 4.404 4.640 0.002 0.000 0.233 102 D C -0.430 175.878 176.300 0.014 0.000 1.149 102 D CA 1.423 55.438 54.000 0.026 0.000 0.682 102 D CB -0.308 40.505 40.800 0.022 0.000 1.068 102 D HN 0.732 9.102 8.370 -0.000 0.000 0.429 103 D N -2.146 118.252 120.400 -0.003 0.000 3.057 103 D HA 0.488 5.129 4.640 0.002 0.000 0.328 103 D C 0.668 176.766 176.300 -0.337 0.000 1.317 103 D CA 0.304 54.242 54.000 -0.104 0.000 0.973 103 D CB 0.469 41.271 40.800 0.003 0.000 1.424 103 D HN 0.016 8.386 8.370 -0.000 0.000 0.569 104 G N -0.704 107.471 108.800 -1.042 0.000 2.583 104 G HA2 0.435 4.396 3.960 0.002 0.000 0.275 104 G HA3 0.435 4.396 3.960 0.002 0.000 0.275 104 G C -0.187 174.256 174.900 -0.761 0.000 1.342 104 G CA 0.035 44.193 45.100 -1.570 0.000 1.030 104 G HN 0.721 9.011 8.290 -0.000 0.000 0.520 105 N N -3.352 115.097 118.700 -0.418 0.000 2.571 105 N HA 0.562 5.303 4.740 0.002 0.000 0.273 105 N C -1.928 173.734 175.510 0.254 0.000 1.340 105 N CA -0.862 52.154 53.050 -0.058 0.000 0.789 105 N CB 1.692 40.053 38.487 -0.210 0.000 1.514 105 N HN 0.355 8.735 8.380 -0.000 0.000 0.499 106 Y N -0.600 119.754 120.300 0.089 0.000 2.477 106 Y HA 0.523 5.074 4.550 0.002 0.000 0.347 106 Y C -0.601 175.265 175.900 -0.058 0.000 0.981 106 Y CA -1.144 57.021 58.100 0.107 0.000 1.033 106 Y CB 2.212 40.770 38.460 0.163 0.000 1.245 106 Y HN 0.489 8.769 8.280 -0.000 0.000 0.455 107 K N 1.895 122.379 120.400 0.140 0.000 2.376 107 K HA 0.657 4.978 4.320 0.002 0.000 0.257 107 K C -0.729 175.903 176.600 0.055 0.000 0.939 107 K CA -0.761 55.553 56.287 0.045 0.000 0.809 107 K CB 2.159 34.670 32.500 0.019 0.000 1.121 107 K HN 0.717 8.967 8.250 -0.000 0.000 0.425 108 T N -0.176 114.412 114.554 0.057 0.000 2.876 108 T HA 0.519 4.870 4.350 0.002 0.000 0.289 108 T C -0.685 174.053 174.700 0.063 0.000 1.014 108 T CA -1.025 61.108 62.100 0.054 0.000 0.986 108 T CB 1.944 70.859 68.868 0.079 0.000 1.021 108 T HN 0.575 8.815 8.240 -0.000 0.000 0.458 109 R N 1.251 121.782 120.500 0.052 0.000 2.532 109 R HA 0.734 5.075 4.340 0.002 0.000 0.297 109 R C -1.561 174.777 176.300 0.064 0.000 0.984 109 R CA -0.638 55.501 56.100 0.064 0.000 0.884 109 R CB 1.578 31.907 30.300 0.048 0.000 1.182 109 R HN 1.023 9.293 8.270 -0.000 0.000 0.442 110 A N 3.636 126.510 122.820 0.091 0.000 2.475 110 A HA 0.519 4.840 4.320 0.002 0.000 0.301 110 A C -1.386 176.245 177.584 0.078 0.000 1.059 110 A CA -0.772 51.315 52.037 0.083 0.000 0.710 110 A CB 1.824 20.890 19.000 0.109 0.000 1.288 110 A HN 0.779 8.929 8.150 -0.000 0.000 0.408 111 E N 0.789 121.009 120.200 0.033 0.000 2.191 111 E HA 0.510 4.862 4.350 0.002 0.000 0.263 111 E C -1.393 175.158 176.600 -0.081 0.000 0.881 111 E CA -0.704 55.691 56.400 -0.008 0.000 0.757 111 E CB 2.313 32.015 29.700 0.003 0.000 1.147 111 E HN 0.341 8.701 8.360 -0.000 0.000 0.414 112 V N 3.898 123.670 119.914 -0.237 0.000 2.357 112 V HA 0.482 4.603 4.120 0.002 0.000 0.284 112 V C -0.055 175.815 176.094 -0.375 0.000 1.018 112 V CA -0.532 61.562 62.300 -0.342 0.000 0.841 112 V CB 1.141 32.614 31.823 -0.584 0.000 0.991 112 V HN 0.596 8.786 8.190 -0.000 0.000 0.437 113 K N 3.264 123.519 120.400 -0.243 0.000 2.578 113 K HA 0.549 4.870 4.320 0.002 0.000 0.287 113 K C -1.853 174.634 176.600 -0.188 0.000 1.010 113 K CA -0.810 55.370 56.287 -0.179 0.000 0.889 113 K CB 2.116 34.575 32.500 -0.068 0.000 1.514 113 K HN 0.324 8.574 8.250 -0.000 0.000 0.424 114 F N 2.248 122.181 119.950 -0.027 0.000 2.424 114 F HA 0.236 4.764 4.527 0.002 0.000 0.356 114 F C 0.188 175.973 175.800 -0.024 0.000 1.110 114 F CA 0.046 58.026 58.000 -0.033 0.000 1.161 114 F CB 1.114 40.077 39.000 -0.061 0.000 1.115 114 F HN 0.270 8.570 8.300 -0.000 0.000 0.507 115 E N 3.441 123.762 120.200 0.201 0.000 2.256 115 E HA 0.416 4.767 4.350 0.002 0.000 0.243 115 E C 0.747 177.417 176.600 0.117 0.000 0.925 115 E CA -0.138 56.330 56.400 0.113 0.000 0.748 115 E CB 1.011 30.750 29.700 0.063 0.000 1.206 115 E HN 0.878 9.238 8.360 -0.000 0.000 0.428 116 G N 4.237 113.088 108.800 0.086 0.000 2.561 116 G HA2 -0.355 3.607 3.960 0.002 0.000 0.289 116 G HA3 -0.355 3.607 3.960 0.002 0.000 0.289 116 G C 0.432 175.355 174.900 0.038 0.000 1.169 116 G CA 0.342 45.463 45.100 0.036 0.000 0.980 116 G HN 0.577 8.867 8.290 -0.000 0.000 0.550 117 D N 1.171 121.592 120.400 0.036 0.000 2.349 117 D HA 0.178 4.819 4.640 0.002 0.000 0.215 117 D C 1.070 177.475 176.300 0.176 0.000 1.016 117 D CA 1.270 55.286 54.000 0.026 0.000 0.870 117 D CB 0.100 40.897 40.800 -0.006 0.000 0.917 117 D HN 0.380 8.750 8.370 -0.000 0.000 0.524 118 T N 1.287 115.966 114.554 0.209 0.000 2.867 118 T HA 0.380 4.731 4.350 0.002 0.000 0.282 118 T C -0.100 174.705 174.700 0.175 0.000 1.000 118 T CA -0.651 61.564 62.100 0.192 0.000 1.042 118 T CB 2.155 71.074 68.868 0.086 0.000 0.973 118 T HN -0.098 8.142 8.240 -0.000 0.000 0.465 119 L N 4.631 125.869 121.223 0.025 0.000 2.260 119 L HA 0.554 4.896 4.340 0.002 0.000 0.289 119 L C -0.903 175.918 176.870 -0.083 0.000 1.057 119 L CA -0.192 54.484 54.840 -0.274 0.000 0.811 119 L CB 0.394 42.314 42.059 -0.233 0.000 1.184 119 L HN 0.412 8.642 8.230 -0.000 0.000 0.429 120 V N 4.460 124.315 119.914 -0.099 0.000 2.459 120 V HA 0.463 4.584 4.120 0.002 0.000 0.295 120 V C -0.329 175.741 176.094 -0.040 0.000 1.029 120 V CA -0.740 61.539 62.300 -0.034 0.000 0.874 120 V CB 1.626 33.442 31.823 -0.013 0.000 0.985 120 V HN 0.790 8.980 8.190 -0.000 0.000 0.438 121 N N 4.148 122.853 118.700 0.009 0.000 2.626 121 N HA 0.337 5.078 4.740 0.002 0.000 0.242 121 N C -0.555 174.983 175.510 0.046 0.000 1.005 121 N CA -0.460 52.605 53.050 0.025 0.000 0.905 121 N CB 0.742 39.274 38.487 0.076 0.000 1.128 121 N HN 0.603 8.983 8.380 -0.000 0.000 0.512 122 R N 3.411 123.927 120.500 0.027 0.000 2.255 122 R HA 0.508 4.850 4.340 0.002 0.000 0.326 122 R C -0.432 175.889 176.300 0.035 0.000 0.986 122 R CA -0.587 55.533 56.100 0.033 0.000 0.847 122 R CB 1.033 31.345 30.300 0.019 0.000 1.111 122 R HN 0.492 8.762 8.270 -0.000 0.000 0.452 123 I N 1.307 121.900 120.570 0.037 0.000 2.569 123 I HA 0.287 4.458 4.170 0.002 0.000 0.296 123 I C -0.088 176.024 176.117 -0.009 0.000 1.028 123 I CA -0.719 60.598 61.300 0.028 0.000 1.082 123 I CB 2.245 40.271 38.000 0.044 0.000 1.264 123 I HN 0.347 8.557 8.210 -0.000 0.000 0.429 124 E N 6.016 126.207 120.200 -0.016 0.000 2.145 124 E HA 0.559 4.910 4.350 0.002 0.000 0.270 124 E C -1.235 175.324 176.600 -0.067 0.000 0.906 124 E CA -0.670 55.698 56.400 -0.052 0.000 0.761 124 E CB 2.851 32.532 29.700 -0.033 0.000 1.116 124 E HN 0.437 8.797 8.360 -0.000 0.000 0.408 125 L N 3.008 124.147 121.223 -0.139 0.000 2.362 125 L HA 0.509 4.851 4.340 0.002 0.000 0.275 125 L C -1.161 175.602 176.870 -0.178 0.000 0.998 125 L CA -0.628 54.114 54.840 -0.164 0.000 0.820 125 L CB 1.312 43.224 42.059 -0.245 0.000 1.270 125 L HN 0.382 8.612 8.230 -0.000 0.000 0.415 126 K N 3.558 123.910 120.400 -0.081 0.000 2.507 126 K HA 0.635 4.956 4.320 0.002 0.000 0.252 126 K C -0.899 175.775 176.600 0.123 0.000 0.943 126 K CA -0.538 55.739 56.287 -0.016 0.000 0.808 126 K CB 1.916 34.417 32.500 0.001 0.000 1.142 126 K HN 0.781 9.031 8.250 -0.000 0.000 0.426 127 G N 4.889 113.813 108.800 0.207 0.000 2.530 127 G HA2 0.620 4.581 3.960 0.002 0.000 0.316 127 G HA3 0.620 4.581 3.960 0.002 0.000 0.316 127 G C -0.667 174.492 174.900 0.433 0.000 1.298 127 G CA -0.746 44.673 45.100 0.531 0.000 0.948 127 G HN 0.657 8.947 8.290 -0.000 0.000 0.486 128 I N -1.044 119.744 120.570 0.363 0.000 3.002 128 I HA 0.682 4.853 4.170 0.002 0.000 0.310 128 I C -0.289 175.860 176.117 0.054 0.000 1.087 128 I CA -0.910 60.515 61.300 0.208 0.000 1.017 128 I CB 2.590 40.649 38.000 0.098 0.000 1.226 128 I HN 0.483 8.693 8.210 -0.000 0.000 0.443 129 D N 1.392 121.818 120.400 0.044 0.000 3.068 129 D HA -0.176 4.465 4.640 0.002 0.000 0.218 129 D C -0.658 175.551 176.300 -0.152 0.000 1.145 129 D CA 1.010 54.967 54.000 -0.071 0.000 0.896 129 D CB -0.957 39.761 40.800 -0.137 0.000 1.105 129 D HN 0.432 8.802 8.370 -0.000 0.000 0.423 130 F N 0.986 120.947 119.950 0.019 0.000 2.399 130 F HA 0.229 4.757 4.527 0.002 0.000 0.342 130 F C 1.418 177.210 175.800 -0.015 0.000 1.106 130 F CA -0.340 57.648 58.000 -0.020 0.000 1.196 130 F CB 0.660 39.624 39.000 -0.060 0.000 1.163 130 F HN -0.407 7.893 8.300 -0.000 0.000 0.547 131 K N 2.917 123.392 120.400 0.124 0.000 2.378 131 K HA 0.041 4.362 4.320 0.002 0.000 0.288 131 K C 0.628 177.270 176.600 0.070 0.000 1.057 131 K CA -0.038 56.290 56.287 0.069 0.000 0.971 131 K CB 0.268 32.791 32.500 0.038 0.000 0.975 131 K HN 0.593 8.843 8.250 -0.000 0.000 0.475 132 E N 1.956 122.195 120.200 0.065 0.000 2.526 132 E HA -0.172 4.179 4.350 0.002 0.000 0.206 132 E C 0.135 176.742 176.600 0.012 0.000 1.139 132 E CA 0.783 57.212 56.400 0.047 0.000 0.913 132 E CB -0.027 29.710 29.700 0.062 0.000 0.868 132 E HN 0.618 8.978 8.360 -0.000 0.000 0.564 133 D N -1.991 118.415 120.400 0.009 0.000 2.567 133 D HA 0.035 4.676 4.640 0.002 0.000 0.268 133 D C 0.858 177.154 176.300 -0.006 0.000 1.448 133 D CA -0.157 53.842 54.000 -0.002 0.000 0.811 133 D CB -0.455 40.350 40.800 0.009 0.000 1.192 133 D HN -0.014 8.356 8.370 -0.000 0.000 0.488 134 G N 0.829 109.627 108.800 -0.003 0.000 2.583 134 G HA2 -0.020 3.941 3.960 0.002 0.000 0.275 134 G HA3 -0.020 3.941 3.960 0.002 0.000 0.275 134 G C 0.891 175.768 174.900 -0.038 0.000 1.342 134 G CA -0.258 44.843 45.100 0.001 0.000 1.030 134 G HN -0.014 8.276 8.290 -0.000 0.000 0.520 135 N N -0.839 117.841 118.700 -0.032 0.000 2.331 135 N HA -0.076 4.665 4.740 0.002 0.000 0.180 135 N C 2.060 177.478 175.510 -0.153 0.000 1.019 135 N CA 0.445 53.462 53.050 -0.055 0.000 0.881 135 N CB -0.048 38.434 38.487 -0.007 0.000 0.972 135 N HN 0.294 8.674 8.380 -0.000 0.000 0.435 136 I N 0.921 121.362 120.570 -0.215 0.000 2.315 136 I HA -0.060 4.111 4.170 0.002 0.000 0.233 136 I C 2.145 177.954 176.117 -0.512 0.000 1.067 136 I CA 0.671 61.719 61.300 -0.419 0.000 1.376 136 I CB -1.389 36.252 38.000 -0.598 0.000 1.143 136 I HN 0.010 8.220 8.210 -0.000 0.000 0.421 137 L N 0.741 121.720 121.223 -0.406 0.000 2.450 137 L HA -0.079 4.262 4.340 0.002 0.000 0.224 137 L C 2.101 178.750 176.870 -0.369 0.000 1.149 137 L CA 1.019 55.607 54.840 -0.419 0.000 0.816 137 L CB -0.928 41.004 42.059 -0.213 0.000 0.932 137 L HN 0.378 8.608 8.230 -0.000 0.000 0.449 138 G N -2.884 105.761 108.800 -0.258 0.000 3.088 138 G HA2 -0.023 3.938 3.960 0.002 0.000 0.217 138 G HA3 -0.023 3.938 3.960 0.002 0.000 0.217 138 G C 0.287 175.159 174.900 -0.046 0.000 1.159 138 G CA -0.287 44.745 45.100 -0.113 0.000 0.760 138 G HN 0.531 8.821 8.290 -0.000 0.000 0.550 139 H N -0.371 118.633 119.070 -0.111 0.000 2.765 139 H HA -0.110 4.447 4.556 0.002 0.000 0.332 139 H C 0.522 175.820 175.328 -0.049 0.000 1.180 139 H CA 1.178 57.169 56.048 -0.094 0.000 1.142 139 H CB -1.254 28.453 29.762 -0.092 0.000 1.576 139 H HN 0.450 8.730 8.280 -0.000 0.000 0.420 140 K N 0.751 121.161 120.400 0.017 0.000 2.414 140 K HA 0.310 4.631 4.320 0.002 0.000 0.204 140 K C 0.767 177.392 176.600 0.041 0.000 1.026 140 K CA -0.109 56.198 56.287 0.034 0.000 1.108 140 K CB 1.088 33.598 32.500 0.016 0.000 0.855 140 K HN 0.171 8.421 8.250 -0.000 0.000 0.517 141 L N 1.724 122.970 121.223 0.039 0.000 2.350 141 L HA 0.214 4.555 4.340 0.002 0.000 0.275 141 L C 0.367 177.302 176.870 0.108 0.000 1.099 141 L CA -0.348 54.524 54.840 0.054 0.000 0.808 141 L CB 0.997 43.054 42.059 -0.003 0.000 1.149 141 L HN 0.132 8.362 8.230 -0.000 0.000 0.442 142 E N 1.071 121.340 120.200 0.115 0.000 2.373 142 E HA -0.041 4.310 4.350 0.002 0.000 0.267 142 E C -0.926 175.791 176.600 0.195 0.000 1.032 142 E CA -0.151 56.334 56.400 0.142 0.000 0.889 142 E CB 0.709 30.476 29.700 0.112 0.000 0.984 142 E HN 0.296 8.656 8.360 -0.000 0.000 0.425 143 Y N 5.657 126.016 120.300 0.099 0.000 2.570 143 Y HA 0.060 4.611 4.550 0.002 0.000 0.336 143 Y C -0.656 175.321 175.900 0.128 0.000 1.284 143 Y CA -0.139 58.031 58.100 0.117 0.000 1.761 143 Y CB -0.886 37.621 38.460 0.079 0.000 1.724 143 Y HN 0.499 8.779 8.280 -0.000 0.000 0.455 144 N N 0.946 119.628 118.700 -0.029 0.000 3.378 144 N HA 0.390 5.131 4.740 0.002 0.000 0.294 144 N C -2.295 173.329 175.510 0.190 0.000 1.544 144 N CA -1.021 52.042 53.050 0.021 0.000 0.872 144 N CB 1.319 39.850 38.487 0.074 0.000 1.670 144 N HN 0.133 8.513 8.380 -0.000 0.000 0.551 145 Y N -1.134 119.176 120.300 0.017 0.000 2.521 145 Y HA 0.422 4.974 4.550 0.002 0.000 0.326 145 Y C -1.447 174.485 175.900 0.053 0.000 1.176 145 Y CA -0.749 57.396 58.100 0.076 0.000 1.079 145 Y CB 1.601 40.099 38.460 0.065 0.000 1.341 145 Y HN 0.615 8.895 8.280 -0.000 0.000 0.456 146 N N 0.992 119.694 118.700 0.005 0.000 2.502 146 N HA 0.474 5.215 4.740 0.002 0.000 0.280 146 N C -1.076 174.282 175.510 -0.254 0.000 1.223 146 N CA -0.631 52.349 53.050 -0.115 0.000 0.966 146 N CB 1.625 39.976 38.487 -0.228 0.000 1.203 146 N HN 0.462 8.842 8.380 -0.000 0.000 0.565 147 S N -0.344 115.137 115.700 -0.366 0.000 2.610 147 S HA 0.425 4.897 4.470 0.002 0.000 0.273 147 S C -0.704 173.455 174.600 -0.736 0.000 1.274 147 S CA -0.364 57.641 58.200 -0.326 0.000 1.023 147 S CB 0.318 63.431 63.200 -0.145 0.000 0.962 147 S HN 0.477 8.787 8.310 -0.000 0.000 0.523 148 H N 0.013 119.076 119.070 -0.012 0.000 3.016 148 H HA 0.471 5.029 4.556 0.002 0.000 0.362 148 H C -1.002 174.263 175.328 -0.104 0.000 1.233 148 H CA -0.948 55.069 56.048 -0.053 0.000 1.124 148 H CB 0.998 30.726 29.762 -0.057 0.000 1.850 148 H HN 0.376 8.656 8.280 -0.000 0.000 0.549 149 N N 0.660 119.340 118.700 -0.033 0.000 2.400 149 N HA 0.349 5.091 4.740 0.002 0.000 0.288 149 N C -1.075 174.163 175.510 -0.454 0.000 1.024 149 N CA -0.557 52.370 53.050 -0.206 0.000 0.894 149 N CB 2.280 40.538 38.487 -0.381 0.000 1.173 149 N HN 0.206 8.586 8.380 -0.000 0.000 0.487 150 V N 3.377 123.009 119.914 -0.469 0.000 2.328 150 V HA 0.275 4.396 4.120 0.002 0.000 0.278 150 V C -0.769 175.104 176.094 -0.368 0.000 1.021 150 V CA -0.689 61.323 62.300 -0.479 0.000 0.838 150 V CB -0.224 31.260 31.823 -0.565 0.000 0.999 150 V HN 0.460 8.650 8.190 -0.000 0.000 0.447 151 Y N 5.283 125.625 120.300 0.070 0.000 2.336 151 Y HA 0.558 5.109 4.550 0.002 0.000 0.335 151 Y C 0.116 176.025 175.900 0.015 0.000 1.046 151 Y CA -0.611 57.518 58.100 0.048 0.000 1.198 151 Y CB 0.856 39.342 38.460 0.043 0.000 1.182 151 Y HN 0.443 8.723 8.280 -0.000 0.000 0.502 152 I N 4.539 125.143 120.570 0.056 0.000 2.493 152 I HA 0.471 4.643 4.170 0.002 0.000 0.298 152 I C -0.361 175.800 176.117 0.073 0.000 0.998 152 I CA -0.687 60.609 61.300 -0.008 0.000 1.137 152 I CB 1.346 39.227 38.000 -0.198 0.000 1.310 152 I HN 0.475 8.685 8.210 -0.000 0.000 0.445 153 M N 4.361 123.999 119.600 0.062 0.000 2.386 153 M HA 0.655 5.136 4.480 0.002 0.000 0.293 153 M C -0.475 175.836 176.300 0.018 0.000 1.120 153 M CA -0.747 54.593 55.300 0.067 0.000 0.909 153 M CB 2.180 34.812 32.600 0.054 0.000 1.661 153 M HN 0.657 8.947 8.290 -0.000 0.000 0.452 154 A N 1.160 124.000 122.820 0.034 0.000 2.425 154 A HA 0.342 4.664 4.320 0.002 0.000 0.242 154 A C -0.483 177.084 177.584 -0.028 0.000 1.077 154 A CA 0.132 52.160 52.037 -0.014 0.000 0.781 154 A CB 0.160 19.174 19.000 0.024 0.000 1.020 154 A HN 0.786 8.936 8.150 -0.000 0.000 0.494 155 D N 0.545 120.908 120.400 -0.061 0.000 2.400 155 D HA 0.268 4.909 4.640 0.002 0.000 0.272 155 D C 0.788 177.070 176.300 -0.029 0.000 1.220 155 D CA -0.309 53.667 54.000 -0.041 0.000 0.897 155 D CB 0.436 41.202 40.800 -0.056 0.000 1.134 155 D HN 0.513 8.883 8.370 -0.000 0.000 0.507 156 K N 0.620 121.014 120.400 -0.009 0.000 2.063 156 K HA -0.162 4.159 4.320 0.002 0.000 0.208 156 K C 1.782 178.384 176.600 0.003 0.000 1.048 156 K CA 1.184 57.471 56.287 0.001 0.000 0.928 156 K CB 0.253 32.758 32.500 0.008 0.000 0.713 156 K HN 0.451 8.701 8.250 -0.000 0.000 0.442 157 Q N 0.491 120.293 119.800 0.003 0.000 2.152 157 Q HA -0.178 4.163 4.340 0.002 0.000 0.206 157 Q C 1.039 177.044 176.000 0.008 0.000 0.985 157 Q CA 1.311 57.118 55.803 0.007 0.000 0.863 157 Q CB -0.037 28.705 28.738 0.006 0.000 0.904 157 Q HN 0.258 8.528 8.270 -0.000 0.000 0.422 158 K N 0.912 121.313 120.400 0.002 0.000 2.498 158 K HA 0.040 4.361 4.320 0.002 0.000 0.207 158 K C -0.057 176.548 176.600 0.008 0.000 1.033 158 K CA -0.283 56.007 56.287 0.005 0.000 1.138 158 K CB 0.052 32.550 32.500 -0.003 0.000 0.860 158 K HN 0.088 8.338 8.250 -0.000 0.000 0.490 159 N N 1.156 119.865 118.700 0.015 0.000 2.701 159 N HA -0.222 4.519 4.740 0.002 0.000 0.257 159 N C -0.529 175.007 175.510 0.043 0.000 0.969 159 N CA 1.130 54.202 53.050 0.037 0.000 0.786 159 N CB -0.696 37.826 38.487 0.057 0.000 0.917 159 N HN 0.509 8.889 8.380 -0.000 0.000 0.541 160 G N -1.199 107.565 108.800 -0.060 0.000 2.731 160 G HA2 0.648 4.610 3.960 0.002 0.000 0.309 160 G HA3 0.648 4.610 3.960 0.002 0.000 0.309 160 G C -0.741 173.903 174.900 -0.427 0.000 1.273 160 G CA -0.378 44.567 45.100 -0.258 0.000 0.798 160 G HN 0.601 8.891 8.290 -0.000 0.000 0.509 161 I N -2.509 117.673 120.570 -0.646 0.000 3.002 161 I HA 0.868 5.039 4.170 0.002 0.000 0.310 161 I C -0.867 175.101 176.117 -0.248 0.000 1.087 161 I CA -1.198 59.823 61.300 -0.465 0.000 1.017 161 I CB 2.653 40.250 38.000 -0.671 0.000 1.226 161 I HN 0.487 8.697 8.210 -0.000 0.000 0.443 162 K N 3.255 123.585 120.400 -0.116 0.000 2.376 162 K HA 0.729 5.050 4.320 0.002 0.000 0.257 162 K C -1.879 174.748 176.600 0.045 0.000 0.939 162 K CA -0.591 55.689 56.287 -0.012 0.000 0.809 162 K CB 2.067 34.578 32.500 0.019 0.000 1.121 162 K HN 0.650 8.900 8.250 -0.000 0.000 0.425 163 V N 3.855 123.833 119.914 0.107 0.000 2.680 163 V HA 0.516 4.637 4.120 0.002 0.000 0.309 163 V C -0.718 175.508 176.094 0.220 0.000 1.052 163 V CA -0.993 61.418 62.300 0.186 0.000 0.908 163 V CB 1.952 33.925 31.823 0.249 0.000 1.001 163 V HN 0.876 9.066 8.190 -0.000 0.000 0.431 164 N N 3.410 122.278 118.700 0.281 0.000 2.277 164 N HA 0.794 5.535 4.740 0.002 0.000 0.286 164 N C -1.239 174.501 175.510 0.383 0.000 1.140 164 N CA -0.302 52.854 53.050 0.177 0.000 0.799 164 N CB 3.173 41.714 38.487 0.089 0.000 1.596 164 N HN 0.707 9.087 8.380 -0.000 0.000 0.473 165 F N -1.806 118.110 119.950 -0.057 0.000 2.829 165 F HA 0.484 5.012 4.527 0.002 0.000 0.319 165 F C -1.895 173.811 175.800 -0.157 0.000 1.153 165 F CA -1.078 56.886 58.000 -0.061 0.000 0.912 165 F CB 1.131 40.057 39.000 -0.124 0.000 1.292 165 F HN 0.125 8.425 8.300 -0.000 0.000 0.447 166 K N 2.362 122.748 120.400 -0.023 0.000 2.397 166 K HA 0.667 4.988 4.320 0.002 0.000 0.253 166 K C -1.471 175.039 176.600 -0.150 0.000 0.932 166 K CA -0.864 55.346 56.287 -0.130 0.000 0.795 166 K CB 2.268 34.739 32.500 -0.049 0.000 1.159 166 K HN 0.510 8.760 8.250 -0.000 0.000 0.424 167 I N 3.113 123.490 120.570 -0.320 0.000 2.392 167 I HA 0.313 4.484 4.170 0.002 0.000 0.295 167 I C 0.026 175.920 176.117 -0.372 0.000 0.985 167 I CA -0.715 60.228 61.300 -0.594 0.000 1.221 167 I CB 1.553 39.131 38.000 -0.704 0.000 1.366 167 I HN 0.476 8.686 8.210 -0.000 0.000 0.467 168 R N 5.391 125.780 120.500 -0.185 0.000 2.215 168 R HA 0.342 4.684 4.340 0.002 0.000 0.337 168 R C -0.672 175.526 176.300 -0.170 0.000 1.010 168 R CA -0.578 55.469 56.100 -0.087 0.000 0.871 168 R CB 0.698 31.013 30.300 0.025 0.000 1.134 168 R HN 0.449 8.719 8.270 -0.000 0.000 0.477 169 H N 2.035 121.096 119.070 -0.015 0.000 2.517 169 H HA 0.211 4.768 4.556 0.002 0.000 0.317 169 H C -0.121 175.215 175.328 0.013 0.000 1.080 169 H CA -0.609 55.425 56.048 -0.022 0.000 1.301 169 H CB 1.126 30.922 29.762 0.056 0.000 1.425 169 H HN 0.370 8.650 8.280 -0.000 0.000 0.471 170 N N 3.296 122.073 118.700 0.129 0.000 2.514 170 N HA 0.185 4.926 4.740 0.002 0.000 0.277 170 N C 0.237 175.804 175.510 0.094 0.000 1.126 170 N CA -0.161 52.943 53.050 0.090 0.000 0.978 170 N CB 1.404 39.930 38.487 0.065 0.000 1.106 170 N HN 0.464 8.844 8.380 -0.000 0.000 0.461 171 I N 1.496 122.111 120.570 0.076 0.000 2.437 171 I HA 0.091 4.262 4.170 0.002 0.000 0.298 171 I C 1.580 177.731 176.117 0.056 0.000 0.984 171 I CA -0.540 60.799 61.300 0.065 0.000 1.214 171 I CB 1.313 39.348 38.000 0.057 0.000 1.365 171 I HN 0.476 8.686 8.210 -0.000 0.000 0.469 172 E N 2.983 123.215 120.200 0.054 0.000 2.132 172 E HA -0.339 4.012 4.350 0.002 0.000 0.218 172 E C 1.156 177.780 176.600 0.040 0.000 1.058 172 E CA 2.276 58.705 56.400 0.048 0.000 0.882 172 E CB -0.332 29.394 29.700 0.043 0.000 0.774 172 E HN 0.874 9.234 8.360 -0.000 0.000 0.467 173 D N -0.520 119.901 120.400 0.035 0.000 2.411 173 D HA -0.088 4.553 4.640 0.002 0.000 0.226 173 D C 1.282 177.600 176.300 0.029 0.000 0.988 173 D CA 1.144 55.162 54.000 0.030 0.000 0.938 173 D CB -0.163 40.653 40.800 0.027 0.000 0.883 173 D HN 0.440 8.810 8.370 -0.000 0.000 0.525 174 G N -1.457 107.363 108.800 0.034 0.000 2.176 174 G HA2 -0.263 3.698 3.960 0.002 0.000 0.232 174 G HA3 -0.263 3.698 3.960 0.002 0.000 0.232 174 G C 0.396 175.315 174.900 0.031 0.000 0.986 174 G CA 0.322 45.441 45.100 0.031 0.000 0.643 174 G HN 0.655 8.945 8.290 -0.000 0.000 0.522 175 S N -1.349 114.372 115.700 0.035 0.000 2.694 175 S HA 0.781 5.252 4.470 0.002 0.000 0.278 175 S C 0.290 174.917 174.600 0.046 0.000 1.152 175 S CA 0.162 58.383 58.200 0.036 0.000 1.010 175 S CB 1.602 64.823 63.200 0.035 0.000 1.104 175 S HN 0.858 9.168 8.310 -0.000 0.000 0.547 176 V N 1.952 121.895 119.914 0.048 0.000 2.769 176 V HA 0.518 4.639 4.120 0.002 0.000 0.312 176 V C -0.850 175.292 176.094 0.081 0.000 1.061 176 V CA -0.633 61.704 62.300 0.062 0.000 0.931 176 V CB 1.838 33.688 31.823 0.044 0.000 1.010 176 V HN 0.852 9.042 8.190 -0.000 0.000 0.433 177 Q N 3.489 123.364 119.800 0.124 0.000 2.357 177 Q HA 0.550 4.891 4.340 0.002 0.000 0.266 177 Q C -1.531 174.582 176.000 0.188 0.000 1.021 177 Q CA -0.287 55.618 55.803 0.171 0.000 0.784 177 Q CB 1.296 30.164 28.738 0.215 0.000 1.243 177 Q HN 0.525 8.795 8.270 -0.000 0.000 0.465 178 L N 2.549 123.846 121.223 0.123 0.000 2.399 178 L HA 0.818 5.160 4.340 0.002 0.000 0.266 178 L C -0.364 176.539 176.870 0.057 0.000 1.114 178 L CA -0.143 54.731 54.840 0.055 0.000 0.804 178 L CB 1.563 43.634 42.059 0.020 0.000 1.146 178 L HN 0.804 9.034 8.230 -0.000 0.000 0.451 179 A N 1.643 124.421 122.820 -0.072 0.000 2.569 179 A HA 0.385 4.706 4.320 0.002 0.000 0.282 179 A C -1.000 176.495 177.584 -0.149 0.000 1.165 179 A CA -0.633 51.237 52.037 -0.279 0.000 0.747 179 A CB 0.319 19.079 19.000 -0.401 0.000 1.215 179 A HN 0.567 8.717 8.150 -0.000 0.000 0.431 180 D N 1.786 122.113 120.400 -0.122 0.000 2.339 180 D HA 0.303 4.944 4.640 0.002 0.000 0.256 180 D C -0.474 175.694 176.300 -0.219 0.000 1.214 180 D CA 0.590 54.516 54.000 -0.123 0.000 0.877 180 D CB 0.250 41.055 40.800 0.007 0.000 1.111 180 D HN 0.539 8.909 8.370 -0.000 0.000 0.478 181 H N 2.830 121.466 119.070 -0.722 0.000 2.467 181 H HA 0.318 4.876 4.556 0.002 0.000 0.326 181 H C -0.721 174.118 175.328 -0.815 0.000 1.094 181 H CA -0.218 55.369 56.048 -0.769 0.000 1.253 181 H CB 0.564 29.553 29.762 -1.288 0.000 1.439 181 H HN 0.310 8.590 8.280 -0.000 0.000 0.479 182 Y N 1.494 121.777 120.300 -0.029 0.000 2.328 182 Y HA 0.349 4.900 4.550 0.002 0.000 0.336 182 Y C 0.112 176.047 175.900 0.057 0.000 0.960 182 Y CA -0.607 57.519 58.100 0.043 0.000 1.134 182 Y CB 1.556 40.084 38.460 0.112 0.000 1.166 182 Y HN 0.514 8.794 8.280 -0.000 0.000 0.464 183 Q N 3.826 123.748 119.800 0.202 0.000 2.359 183 Q HA 0.492 4.833 4.340 0.002 0.000 0.274 183 Q C -1.763 174.328 176.000 0.151 0.000 1.074 183 Q CA -0.961 54.957 55.803 0.192 0.000 0.810 183 Q CB 2.425 31.314 28.738 0.253 0.000 1.342 183 Q HN 0.829 9.099 8.270 -0.000 0.000 0.427 184 Q N 1.796 121.671 119.800 0.125 0.000 2.359 184 Q HA 0.633 4.974 4.340 0.002 0.000 0.274 184 Q C -1.483 174.547 176.000 0.050 0.000 1.074 184 Q CA -1.033 54.805 55.803 0.059 0.000 0.810 184 Q CB 1.926 30.694 28.738 0.050 0.000 1.342 184 Q HN 0.456 8.726 8.270 -0.000 0.000 0.427 185 N N 0.917 119.572 118.700 -0.075 0.000 2.296 185 N HA 0.544 5.286 4.740 0.002 0.000 0.294 185 N C -1.642 173.816 175.510 -0.086 0.000 1.033 185 N CA -0.458 52.557 53.050 -0.059 0.000 0.839 185 N CB 2.370 40.743 38.487 -0.189 0.000 1.395 185 N HN 0.744 9.124 8.380 -0.000 0.000 0.479 186 T N -1.231 113.430 114.554 0.178 0.000 2.886 186 T HA 0.598 4.949 4.350 0.002 0.000 0.292 186 T C -3.020 171.902 174.700 0.370 0.000 1.012 186 T CA -2.163 60.080 62.100 0.239 0.000 0.982 186 T CB 2.214 71.164 68.868 0.136 0.000 1.018 186 T HN 0.137 8.377 8.240 -0.000 0.000 0.451 187 P HA 0.257 4.677 4.420 -0.000 0.000 0.269 187 P C 0.426 177.830 177.300 0.174 0.000 1.209 187 P CA -0.423 62.821 63.100 0.240 0.000 0.776 187 P CB 1.143 32.932 31.700 0.148 0.000 0.876 188 I N 0.262 120.917 120.570 0.142 0.000 3.035 188 I HA 0.088 4.260 4.170 0.002 0.000 0.271 188 I C 1.562 177.722 176.117 0.072 0.000 1.190 188 I CA 0.590 61.951 61.300 0.100 0.000 1.472 188 I CB -0.227 37.823 38.000 0.083 0.000 1.116 188 I HN 0.416 8.626 8.210 -0.000 0.000 0.443 189 G N 0.132 108.971 108.800 0.064 0.000 2.488 189 G HA2 0.199 4.161 3.960 0.002 0.000 0.318 189 G HA3 0.199 4.161 3.960 0.002 0.000 0.318 189 G C -0.559 174.366 174.900 0.042 0.000 1.188 189 G CA -0.233 44.894 45.100 0.046 0.000 0.944 189 G HN 0.084 8.374 8.290 -0.000 0.000 0.495 190 D N -0.691 119.728 120.400 0.032 0.000 2.350 190 D HA 0.181 4.822 4.640 0.002 0.000 0.213 190 D C 1.636 177.949 176.300 0.021 0.000 1.031 190 D CA 0.344 54.361 54.000 0.028 0.000 0.861 190 D CB 0.386 41.200 40.800 0.024 0.000 0.926 190 D HN 0.503 8.873 8.370 -0.000 0.000 0.520 191 G N 1.731 110.541 108.800 0.015 0.000 2.664 191 G HA2 0.263 4.224 3.960 0.002 0.000 0.242 191 G HA3 0.263 4.224 3.960 0.002 0.000 0.242 191 G C -2.040 172.862 174.900 0.004 0.000 1.225 191 G CA -0.891 44.212 45.100 0.006 0.000 0.849 191 G HN -0.021 8.269 8.290 -0.000 0.000 0.581 192 P HA 0.261 4.681 4.420 -0.000 0.000 0.282 192 P C 0.021 177.308 177.300 -0.021 0.000 1.274 192 P CA -0.179 62.919 63.100 -0.003 0.000 0.770 192 P CB 1.201 32.898 31.700 -0.006 0.000 0.867 193 V N 2.183 122.087 119.914 -0.016 0.000 3.096 193 V HA 0.505 4.626 4.120 0.002 0.000 0.319 193 V C 0.195 176.276 176.094 -0.021 0.000 1.082 193 V CA -1.279 60.986 62.300 -0.059 0.000 1.022 193 V CB 1.020 32.777 31.823 -0.110 0.000 1.103 193 V HN 0.266 8.456 8.190 -0.000 0.000 0.455 194 L N 2.166 123.357 121.223 -0.053 0.000 2.290 194 L HA 0.461 4.802 4.340 0.002 0.000 0.284 194 L C -0.429 176.476 176.870 0.059 0.000 1.078 194 L CA -0.190 54.627 54.840 -0.040 0.000 0.815 194 L CB 0.796 42.781 42.059 -0.123 0.000 1.162 194 L HN 0.478 8.708 8.230 -0.000 0.000 0.435 195 L N 6.027 127.270 121.223 0.034 0.000 2.265 195 L HA 0.477 4.818 4.340 0.002 0.000 0.289 195 L C -1.837 175.056 176.870 0.038 0.000 1.033 195 L CA -1.694 53.176 54.840 0.050 0.000 0.814 195 L CB 1.306 43.384 42.059 0.033 0.000 1.203 195 L HN 0.441 8.671 8.230 -0.000 0.000 0.423 196 P HA 0.262 4.682 4.420 -0.000 0.000 0.279 196 P C -1.228 176.232 177.300 0.267 0.000 1.276 196 P CA -0.579 62.656 63.100 0.224 0.000 0.801 196 P CB 1.309 33.152 31.700 0.239 0.000 1.127 197 D N -0.019 120.589 120.400 0.346 0.000 2.229 197 D HA 0.209 4.850 4.640 0.002 0.000 0.249 197 D C -0.066 176.360 176.300 0.210 0.000 1.027 197 D CA -0.252 53.844 54.000 0.159 0.000 0.923 197 D CB 0.044 40.857 40.800 0.022 0.000 1.174 197 D HN 0.194 8.564 8.370 -0.000 0.000 0.443 198 N N 2.203 121.020 118.700 0.195 0.000 2.365 198 N HA 0.029 4.771 4.740 0.002 0.000 0.265 198 N C -0.028 175.682 175.510 0.334 0.000 1.288 198 N CA 0.664 53.863 53.050 0.248 0.000 0.869 198 N CB 0.024 38.599 38.487 0.147 0.000 1.071 198 N HN 0.432 8.812 8.380 -0.000 0.000 0.480 199 H N -0.389 118.785 119.070 0.172 0.000 2.928 199 H HA 0.490 5.047 4.556 0.002 0.000 0.285 199 H C -1.149 174.366 175.328 0.311 0.000 1.438 199 H CA -0.865 55.308 56.048 0.209 0.000 1.176 199 H CB 0.593 30.397 29.762 0.070 0.000 1.864 199 H HN 0.437 8.717 8.280 -0.000 0.000 0.567 200 Y N -0.614 119.637 120.300 -0.081 0.000 2.644 200 Y HA 0.715 5.266 4.550 0.002 0.000 0.338 200 Y C -1.818 173.937 175.900 -0.242 0.000 1.119 200 Y CA -1.762 56.173 58.100 -0.274 0.000 1.060 200 Y CB 1.173 39.402 38.460 -0.386 0.000 1.294 200 Y HN 0.546 8.826 8.280 -0.000 0.000 0.472 201 L N 2.494 123.534 121.223 -0.304 0.000 2.333 201 L HA 0.528 4.869 4.340 0.002 0.000 0.280 201 L C -0.159 176.569 176.870 -0.237 0.000 1.004 201 L CA -1.027 53.617 54.840 -0.327 0.000 0.820 201 L CB 2.105 44.014 42.059 -0.250 0.000 1.247 201 L HN 0.822 9.052 8.230 -0.000 0.000 0.416 202 S N 2.147 117.706 115.700 -0.234 0.000 2.416 202 S HA 0.398 4.869 4.470 0.002 0.000 0.287 202 S C 0.058 174.617 174.600 -0.068 0.000 1.139 202 S CA -0.567 57.580 58.200 -0.089 0.000 1.058 202 S CB 0.261 63.416 63.200 -0.075 0.000 0.967 202 S HN 0.646 8.956 8.310 -0.000 0.000 0.495 203 T N 3.047 117.573 114.554 -0.047 0.000 2.829 203 T HA 0.579 4.930 4.350 0.002 0.000 0.282 203 T C -0.585 174.147 174.700 0.054 0.000 0.990 203 T CA -0.806 61.287 62.100 -0.012 0.000 1.028 203 T CB 1.237 70.076 68.868 -0.048 0.000 0.951 203 T HN 0.700 8.940 8.240 -0.000 0.000 0.460 204 Q N 1.032 120.884 119.800 0.087 0.000 2.347 204 Q HA 0.594 4.935 4.340 0.002 0.000 0.271 204 Q C -1.478 174.581 176.000 0.098 0.000 1.064 204 Q CA -0.866 55.011 55.803 0.124 0.000 0.800 204 Q CB 2.382 31.226 28.738 0.176 0.000 1.304 204 Q HN 0.827 9.097 8.270 -0.000 0.000 0.438 205 C N 1.767 121.130 119.300 0.107 0.000 2.441 205 C HA 0.906 5.367 4.460 0.002 0.000 0.318 205 C C -0.633 174.375 174.990 0.030 0.000 1.222 205 C CA -0.360 58.654 59.018 -0.006 0.000 1.474 205 C CB 1.160 28.772 27.740 -0.214 0.000 2.125 205 C HN 0.838 9.068 8.230 -0.000 0.000 0.479 206 A N 4.484 127.287 122.820 -0.028 0.000 2.353 206 A HA 0.825 5.146 4.320 0.002 0.000 0.299 206 A C -1.125 176.420 177.584 -0.065 0.000 1.089 206 A CA -0.344 51.689 52.037 -0.007 0.000 0.736 206 A CB 0.588 19.611 19.000 0.038 0.000 1.195 206 A HN 0.848 8.998 8.150 -0.000 0.000 0.447 207 L N 2.547 123.709 121.223 -0.100 0.000 2.307 207 L HA 0.733 5.075 4.340 0.002 0.000 0.284 207 L C 0.513 177.390 176.870 0.010 0.000 1.023 207 L CA -0.434 54.306 54.840 -0.166 0.000 0.810 207 L CB 1.783 43.511 42.059 -0.551 0.000 1.231 207 L HN 0.863 9.093 8.230 -0.000 0.000 0.423 208 S N 1.775 117.537 115.700 0.104 0.000 2.806 208 S HA 0.718 5.189 4.470 0.002 0.000 0.306 208 S C -1.057 173.617 174.600 0.123 0.000 1.167 208 S CA -1.085 57.214 58.200 0.166 0.000 0.847 208 S CB 2.633 65.879 63.200 0.077 0.000 1.216 208 S HN 0.393 8.703 8.310 -0.000 0.000 0.532 209 K N 1.017 121.459 120.400 0.070 0.000 2.422 209 K HA 0.425 4.746 4.320 0.002 0.000 0.251 209 K C -1.858 174.854 176.600 0.186 0.000 0.933 209 K CA -0.414 55.910 56.287 0.062 0.000 0.798 209 K CB 1.953 34.401 32.500 -0.086 0.000 1.238 209 K HN 0.819 9.069 8.250 -0.000 0.000 0.428 210 D N 4.148 124.782 120.400 0.390 0.000 2.393 210 D HA 0.122 4.763 4.640 0.002 0.000 0.232 210 D C -1.237 175.078 176.300 0.024 0.000 1.192 210 D CA -2.094 51.955 54.000 0.081 0.000 0.882 210 D CB 1.037 41.785 40.800 -0.087 0.000 1.038 210 D HN 0.110 8.480 8.370 -0.000 0.000 0.499 211 P HA -0.177 4.243 4.420 -0.000 0.000 0.221 211 P C 0.280 177.566 177.300 -0.023 0.000 1.141 211 P CA 0.852 63.957 63.100 0.008 0.000 0.794 211 P CB 0.379 32.082 31.700 0.004 0.000 0.764 212 N N -0.530 118.138 118.700 -0.054 0.000 2.373 212 N HA -0.007 4.734 4.740 0.002 0.000 0.181 212 N C 0.577 176.023 175.510 -0.106 0.000 1.082 212 N CA 0.350 53.360 53.050 -0.067 0.000 0.885 212 N CB 0.018 38.466 38.487 -0.065 0.000 0.977 212 N HN 0.218 8.598 8.380 -0.000 0.000 0.462 213 E N 1.583 121.673 120.200 -0.185 0.000 2.259 213 E HA 0.134 4.486 4.350 0.002 0.000 0.281 213 E C 0.611 177.121 176.600 -0.151 0.000 1.027 213 E CA -0.135 56.095 56.400 -0.283 0.000 0.838 213 E CB 0.803 30.051 29.700 -0.753 0.000 1.066 213 E HN -0.186 8.174 8.360 -0.000 0.000 0.401 214 K N 3.381 123.728 120.400 -0.088 0.000 2.244 214 K HA 0.167 4.488 4.320 0.002 0.000 0.200 214 K C 0.448 177.062 176.600 0.024 0.000 1.052 214 K CA 0.357 56.632 56.287 -0.019 0.000 0.980 214 K CB -0.021 32.469 32.500 -0.017 0.000 0.838 214 K HN 0.402 8.652 8.250 -0.000 0.000 0.481 215 R N 1.731 122.243 120.500 0.020 0.000 2.774 215 R HA 0.019 4.360 4.340 0.002 0.000 0.269 215 R C 0.070 176.482 176.300 0.187 0.000 1.068 215 R CA -0.221 55.928 56.100 0.081 0.000 1.180 215 R CB 0.181 30.521 30.300 0.067 0.000 1.077 215 R HN 0.008 8.278 8.270 -0.000 0.000 0.513 216 D N 1.541 122.077 120.400 0.226 0.000 2.383 216 D HA 0.019 4.661 4.640 0.002 0.000 0.252 216 D C -0.417 176.179 176.300 0.493 0.000 1.166 216 D CA 0.646 54.853 54.000 0.344 0.000 0.879 216 D CB 0.365 41.346 40.800 0.302 0.000 1.164 216 D HN 0.512 8.882 8.370 -0.000 0.000 0.462 217 H N 1.412 120.575 119.070 0.154 0.000 2.960 217 H HA 0.535 5.092 4.556 0.002 0.000 0.323 217 H C -1.678 173.140 175.328 -0.850 0.000 1.326 217 H CA -1.103 54.802 56.048 -0.238 0.000 1.124 217 H CB 1.084 30.768 29.762 -0.130 0.000 1.853 217 H HN 0.404 8.684 8.280 -0.000 0.000 0.536 218 M N 2.297 121.332 119.600 -0.941 0.000 2.271 218 M HA 0.427 4.908 4.480 0.002 0.000 0.285 218 M C -2.091 174.100 176.300 -0.182 0.000 1.059 218 M CA -0.750 54.077 55.300 -0.789 0.000 0.940 218 M CB 1.934 33.854 32.600 -1.134 0.000 1.636 218 M HN 0.365 8.655 8.290 -0.000 0.000 0.460 219 V N 5.477 125.344 119.914 -0.078 0.000 2.370 219 V HA 0.555 4.676 4.120 0.002 0.000 0.279 219 V C -0.914 175.170 176.094 -0.017 0.000 1.029 219 V CA -0.668 61.629 62.300 -0.005 0.000 0.870 219 V CB 1.352 33.189 31.823 0.023 0.000 0.984 219 V HN 0.753 8.943 8.190 -0.000 0.000 0.451 220 L N 6.748 127.967 121.223 -0.006 0.000 2.381 220 L HA 0.753 5.094 4.340 0.002 0.000 0.274 220 L C -1.199 175.613 176.870 -0.096 0.000 0.988 220 L CA -0.205 54.618 54.840 -0.028 0.000 0.824 220 L CB 1.638 43.746 42.059 0.081 0.000 1.263 220 L HN 0.505 8.735 8.230 -0.000 0.000 0.410 221 L N 4.345 125.482 121.223 -0.143 0.000 2.365 221 L HA 0.678 5.020 4.340 0.002 0.000 0.273 221 L C -0.608 176.068 176.870 -0.322 0.000 1.000 221 L CA -0.104 54.586 54.840 -0.251 0.000 0.819 221 L CB 1.970 43.892 42.059 -0.229 0.000 1.284 221 L HN 0.725 8.955 8.230 -0.000 0.000 0.418 222 E N 1.864 121.777 120.200 -0.478 0.000 2.331 222 E HA 0.522 4.873 4.350 0.002 0.000 0.275 222 E C -1.837 174.419 176.600 -0.573 0.000 0.895 222 E CA -0.560 55.600 56.400 -0.400 0.000 0.753 222 E CB 1.446 31.020 29.700 -0.211 0.000 1.216 222 E HN 0.308 8.668 8.360 -0.000 0.000 0.434 223 F N 2.967 122.913 119.950 -0.007 0.000 2.403 223 F HA 0.430 4.958 4.527 0.002 0.000 0.355 223 F C -0.625 175.175 175.800 -0.001 0.000 1.119 223 F CA -0.651 57.362 58.000 0.021 0.000 1.007 223 F CB 1.721 40.746 39.000 0.042 0.000 1.194 223 F HN 0.121 8.421 8.300 -0.000 0.000 0.443 224 V N 2.571 122.580 119.914 0.158 0.000 2.531 224 V HA 0.631 4.752 4.120 0.002 0.000 0.301 224 V C -0.515 175.578 176.094 -0.002 0.000 1.034 224 V CA -0.596 61.725 62.300 0.035 0.000 0.865 224 V CB 2.241 34.044 31.823 -0.033 0.000 0.995 224 V HN 0.729 8.919 8.190 -0.000 0.000 0.424 225 T N 3.617 118.119 114.554 -0.086 0.000 2.881 225 T HA 0.628 4.979 4.350 0.002 0.000 0.291 225 T C 0.039 174.551 174.700 -0.313 0.000 0.990 225 T CA -0.312 61.695 62.100 -0.156 0.000 0.976 225 T CB 1.652 70.460 68.868 -0.099 0.000 0.970 225 T HN 0.952 9.192 8.240 -0.000 0.000 0.438 226 A N 2.641 125.167 122.820 -0.489 0.000 2.488 226 A HA 0.730 5.051 4.320 0.002 0.000 0.249 226 A C 0.524 177.845 177.584 -0.438 0.000 1.083 226 A CA -0.104 51.542 52.037 -0.651 0.000 0.768 226 A CB -0.163 17.919 19.000 -1.530 0.000 1.017 226 A HN 1.142 9.292 8.150 -0.000 0.000 0.496 227 A N 1.266 123.777 122.820 -0.515 0.000 2.507 227 A HA 0.850 5.171 4.320 0.002 0.000 0.284 227 A C 0.945 178.342 177.584 -0.312 0.000 1.281 227 A CA -0.069 51.681 52.037 -0.478 0.000 0.744 227 A CB 0.161 18.742 19.000 -0.698 0.000 1.332 227 A HN 2.625 10.775 8.150 -0.000 0.000 0.454 228 G N -1.404 107.378 108.800 -0.031 0.000 2.143 228 G HA2 -0.150 3.812 3.960 0.002 0.000 0.249 228 G HA3 -0.150 3.812 3.960 0.002 0.000 0.249 228 G C -0.006 174.997 174.900 0.171 0.000 0.981 228 G CA 0.687 45.953 45.100 0.277 0.000 0.665 228 G HN 0.940 9.230 8.290 -0.000 0.000 0.528 229 I N 0.000 120.635 120.570 0.108 0.000 2.984 229 I HA 0.000 4.171 4.170 0.002 0.000 0.288 229 I CA 0.000 61.339 61.300 0.064 0.000 1.566 229 I CB 0.000 37.927 38.000 -0.122 0.000 1.214 229 I HN 0.000 8.210 8.210 -0.000 0.000 0.494