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 3kqr_1_C DATA FIRST_RESID 1 DATA SEQUENCE HTDLSGKVFV FPRESVTDHV NLITPLEKPL QNFTLcFRAY SDLSRAYSLF DATA SEQUENCE SYNTQGRDNE LLVYKERVGE YSLYIGRHKV TSKVIEKFPA PVHIcVSWES DATA SEQUENCE SSGIAEFWIN GTPLVKKGLR QGYFVEAQPK IVLGQEQDSY GGKFDRSQSF DATA SEQUENCE VGEIGDLYMW DSVLPPENIL SAYQGTPLPA NILDWQALNY EIRGYVIIKP DATA SEQUENCE LVWV 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 1 H HA 0.000 4.532 4.556 -0.040 0.000 0.296 1 H C 0.000 175.296 175.328 -0.054 0.000 0.993 1 H CA 0.000 56.018 56.048 -0.050 0.000 1.023 1 H CB 0.000 29.716 29.762 -0.076 0.000 1.292 2 T N 4.515 119.119 114.554 0.084 0.000 2.824 2 T HA 0.164 4.522 4.350 0.013 0.000 0.282 2 T C -2.052 172.619 174.700 -0.047 0.000 0.993 2 T CA -0.429 61.689 62.100 0.030 0.000 0.967 2 T CB 2.065 70.999 68.868 0.110 0.000 0.960 2 T HN -0.457 7.909 8.240 0.108 -0.061 0.441 3 D N 6.642 126.997 120.400 -0.075 0.000 2.380 3 D HA 0.098 4.668 4.640 -0.129 -0.008 0.230 3 D C -0.384 175.789 176.300 -0.210 0.000 1.154 3 D CA -0.552 53.377 54.000 -0.117 0.000 0.859 3 D CB -0.141 40.629 40.800 -0.051 0.000 1.045 3 D HN 0.476 8.815 8.370 -0.052 0.000 0.495 4 L N 5.752 126.707 121.223 -0.447 0.000 2.685 4 L HA 0.128 4.209 4.340 -0.431 0.000 0.233 4 L C -0.390 176.325 176.870 -0.258 0.000 1.173 4 L CA -1.193 53.271 54.840 -0.627 0.000 0.961 4 L CB -0.353 40.766 42.059 -1.567 0.000 1.217 4 L HN 0.375 8.278 8.230 -0.545 0.000 0.478 5 S N 0.684 116.366 115.700 -0.031 0.000 2.642 5 S HA -0.383 4.261 4.470 0.291 0.000 0.308 5 S C 0.798 175.448 174.600 0.083 0.000 1.255 5 S CA 2.873 61.158 58.200 0.141 0.000 1.057 5 S CB 0.222 63.474 63.200 0.087 0.000 0.785 5 S HN -0.372 8.169 8.310 -0.061 -0.267 0.500 6 G N 2.779 111.641 108.800 0.103 0.000 2.162 6 G HA2 -0.471 3.484 3.960 -0.009 0.000 0.260 6 G HA3 -0.471 3.493 3.960 0.006 0.000 0.260 6 G C -1.046 173.860 174.900 0.010 0.000 0.976 6 G CA 0.672 45.786 45.100 0.022 0.000 0.655 6 G HN 0.758 9.132 8.290 0.140 0.000 0.533 7 K N -1.412 119.037 120.400 0.082 0.000 2.444 7 K HA 0.998 5.519 4.320 0.003 -0.199 0.252 7 K C -1.531 175.165 176.600 0.161 0.000 0.993 7 K CA -1.610 54.700 56.287 0.040 0.000 0.847 7 K CB 4.791 37.251 32.500 -0.066 0.000 1.340 7 K HN -0.415 7.904 8.250 0.190 0.044 0.446 8 V N -5.359 114.606 119.914 0.086 0.000 3.001 8 V HA 0.699 5.098 4.120 0.298 -0.101 0.314 8 V C -1.600 174.524 176.094 0.049 0.000 1.099 8 V CA -3.023 59.383 62.300 0.175 0.000 0.989 8 V CB 3.159 35.140 31.823 0.263 0.000 1.040 8 V HN 0.587 8.800 8.190 0.039 0.000 0.434 9 F N 0.970 121.067 119.950 0.244 0.000 2.420 9 F HA 0.168 4.609 4.527 -0.143 0.000 0.352 9 F C -0.141 175.637 175.800 -0.036 0.000 1.108 9 F CA -0.968 57.012 58.000 -0.034 0.000 1.162 9 F CB 0.488 39.417 39.000 -0.119 0.000 1.118 9 F HN -0.099 8.384 8.300 0.307 0.000 0.510 10 V N 2.669 122.581 119.914 -0.004 0.000 2.347 10 V HA 0.190 4.544 4.120 0.153 -0.142 0.280 10 V C -1.049 174.864 176.094 -0.301 0.000 1.021 10 V CA -0.752 61.532 62.300 -0.026 0.000 0.847 10 V CB 0.935 32.741 31.823 -0.029 0.000 0.990 10 V HN 0.788 8.949 8.190 -0.048 0.000 0.444 11 F N 7.074 127.031 119.950 0.012 0.000 2.351 11 F HA 0.595 5.044 4.527 -0.131 0.000 0.362 11 F C -1.620 174.069 175.800 -0.185 0.000 1.131 11 F CA -2.442 55.508 58.000 -0.082 0.000 1.187 11 F CB 0.171 39.192 39.000 0.035 0.000 1.434 11 F HN 0.747 9.277 8.300 0.384 0.000 0.553 12 P HA 0.056 4.392 4.420 -0.140 0.000 0.255 12 P C -1.474 175.791 177.300 -0.057 0.000 1.248 12 P CA 0.238 63.224 63.100 -0.190 0.000 0.807 12 P CB 0.004 31.470 31.700 -0.389 0.000 1.150 13 R N -2.950 117.550 120.500 0.001 0.000 2.710 13 R HA 0.218 4.566 4.340 0.013 0.000 0.270 13 R C -2.066 174.250 176.300 0.027 0.000 1.021 13 R CA -2.074 54.055 56.100 0.048 0.000 0.889 13 R CB 1.623 32.017 30.300 0.156 0.000 1.243 13 R HN -0.787 7.436 8.270 0.004 0.049 0.464 14 E N 2.192 122.394 120.200 0.004 0.000 2.360 14 E HA -0.136 4.202 4.350 -0.020 0.000 0.269 14 E C -0.974 175.648 176.600 0.038 0.000 1.022 14 E CA 0.609 57.009 56.400 -0.000 0.000 0.887 14 E CB 0.755 30.447 29.700 -0.014 0.000 0.990 14 E HN 0.245 8.603 8.360 -0.002 0.000 0.426 15 S N 4.033 119.757 115.700 0.041 0.000 2.636 15 S HA 0.038 4.544 4.470 0.060 0.000 0.266 15 S C -1.043 173.593 174.600 0.059 0.000 1.147 15 S CA -0.652 57.586 58.200 0.063 0.000 0.815 15 S CB 2.010 65.268 63.200 0.096 0.000 1.119 15 S HN -0.220 8.105 8.310 0.025 0.000 0.470 16 V N 0.686 120.651 119.914 0.085 0.000 3.578 16 V HA 0.251 4.430 4.120 0.099 0.000 0.290 16 V C -1.017 175.185 176.094 0.181 0.000 1.376 16 V CA -0.704 61.667 62.300 0.119 0.000 1.083 16 V CB 0.173 32.069 31.823 0.122 0.000 0.911 16 V HN 0.384 8.627 8.190 0.088 0.000 0.433 17 T N -3.890 110.759 114.554 0.157 0.000 2.964 17 T HA 0.170 4.707 4.350 0.312 0.000 0.249 17 T C 0.202 175.066 174.700 0.274 0.000 1.000 17 T CA -0.184 62.054 62.100 0.231 0.000 0.992 17 T CB 1.411 70.387 68.868 0.180 0.000 1.087 17 T HN -0.771 7.492 8.240 0.128 0.055 0.489 18 D N 4.356 124.867 120.400 0.185 0.000 2.312 18 D HA 0.342 5.261 4.640 0.174 -0.175 0.252 18 D C -0.735 175.704 176.300 0.231 0.000 1.150 18 D CA 0.907 55.026 54.000 0.199 0.000 0.870 18 D CB 0.285 41.208 40.800 0.205 0.000 1.153 18 D HN -0.463 7.994 8.370 0.143 0.000 0.457 19 H N -1.450 117.639 119.070 0.033 0.000 2.967 19 H HA 0.472 5.220 4.556 0.150 -0.102 0.318 19 H C -2.930 172.397 175.328 -0.002 0.000 1.375 19 H CA -1.144 54.908 56.048 0.006 0.000 1.132 19 H CB 2.329 31.922 29.762 -0.281 0.000 1.848 19 H HN 0.495 8.762 8.280 -0.023 0.000 0.524 20 V N -0.560 119.358 119.914 0.006 0.000 2.487 20 V HA 0.501 4.654 4.120 -0.272 -0.196 0.298 20 V C -1.208 174.857 176.094 -0.049 0.000 1.028 20 V CA -1.960 60.224 62.300 -0.194 0.000 0.860 20 V CB 2.860 34.376 31.823 -0.511 0.000 0.991 20 V HN 0.217 8.484 8.190 0.128 0.000 0.427 21 N N 6.538 125.221 118.700 -0.028 0.000 2.434 21 N HA 0.489 5.429 4.740 0.014 -0.192 0.272 21 N C -0.783 174.739 175.510 0.019 0.000 1.040 21 N CA -1.044 52.012 53.050 0.010 0.000 0.956 21 N CB 1.218 39.711 38.487 0.010 0.000 1.108 21 N HN 0.025 8.362 8.380 -0.072 0.000 0.481 22 L N 3.387 124.615 121.223 0.008 0.000 2.282 22 L HA 0.322 4.736 4.340 0.123 0.000 0.288 22 L C -1.134 175.751 176.870 0.024 0.000 1.033 22 L CA -0.555 54.325 54.840 0.067 0.000 0.807 22 L CB 1.176 43.298 42.059 0.106 0.000 1.209 22 L HN 0.317 8.526 8.230 -0.035 0.000 0.423 23 I N 2.658 123.249 120.570 0.035 0.000 2.354 23 I HA 0.288 4.447 4.170 -0.020 0.000 0.292 23 I C -0.992 175.146 176.117 0.035 0.000 0.989 23 I CA -1.796 59.505 61.300 0.000 0.000 1.188 23 I CB 0.248 38.222 38.000 -0.044 0.000 1.342 23 I HN 0.112 8.358 8.210 0.060 0.000 0.457 24 T N 5.896 120.470 114.554 0.034 0.000 2.933 24 T HA 0.402 4.795 4.350 0.071 0.000 0.305 24 T C -1.769 172.961 174.700 0.050 0.000 1.092 24 T CA -3.928 58.209 62.100 0.062 0.000 1.008 24 T CB 2.141 71.066 68.868 0.094 0.000 1.102 24 T HN 0.110 8.358 8.240 0.013 0.000 0.469 25 P HA 0.217 4.717 4.420 0.043 -0.054 0.225 25 P C -2.041 175.296 177.300 0.062 0.000 1.813 25 P CA -0.564 62.567 63.100 0.053 0.000 1.013 25 P CB -1.238 30.495 31.700 0.055 0.000 1.961 26 L N 3.061 124.324 121.223 0.067 0.000 2.259 26 L HA 0.192 4.585 4.340 0.088 0.000 0.288 26 L C -0.890 176.027 176.870 0.078 0.000 1.051 26 L CA -0.899 53.993 54.840 0.087 0.000 0.824 26 L CB 0.878 43.011 42.059 0.122 0.000 1.206 26 L HN -0.569 7.655 8.230 0.058 0.041 0.429 27 E N 4.335 124.578 120.200 0.072 0.000 2.473 27 E HA 0.045 4.431 4.350 0.061 0.000 0.204 27 E C -0.930 175.711 176.600 0.069 0.000 0.994 27 E CA 0.221 56.659 56.400 0.063 0.000 0.945 27 E CB 0.645 30.376 29.700 0.051 0.000 0.990 27 E HN 0.233 8.636 8.360 0.070 0.000 0.493 28 K N 0.631 121.076 120.400 0.074 0.000 2.206 28 K HA 0.363 4.725 4.320 0.071 0.000 0.264 28 K C -2.433 174.216 176.600 0.081 0.000 0.967 28 K CA -2.432 53.897 56.287 0.070 0.000 0.844 28 K CB 0.837 33.369 32.500 0.053 0.000 1.099 28 K HN -0.529 7.768 8.250 0.078 0.000 0.441 29 P HA -0.147 4.461 4.420 0.132 -0.109 0.267 29 P C -0.871 176.438 177.300 0.014 0.000 1.200 29 P CA -0.155 63.005 63.100 0.100 0.000 0.772 29 P CB 0.762 32.566 31.700 0.174 0.000 0.855 30 L N 2.135 123.401 121.223 0.072 0.000 2.276 30 L HA 0.156 4.526 4.340 0.050 0.000 0.286 30 L C 0.580 177.482 176.870 0.053 0.000 1.061 30 L CA -0.390 54.504 54.840 0.090 0.000 0.807 30 L CB 0.476 42.663 42.059 0.214 0.000 1.177 30 L HN -0.045 8.262 8.230 0.128 0.000 0.429 31 Q N 1.220 120.953 119.800 -0.112 0.000 2.324 31 Q HA -0.012 4.224 4.340 -0.173 0.000 0.207 31 Q C -0.976 175.008 176.000 -0.026 0.000 0.928 31 Q CA 2.358 58.041 55.803 -0.200 0.000 0.890 31 Q CB 1.901 30.373 28.738 -0.444 0.000 1.001 31 Q HN 0.498 8.694 8.270 -0.124 0.000 0.517 32 N N -3.174 115.562 118.700 0.061 0.000 2.235 32 N HA 0.960 5.861 4.740 -0.060 -0.197 0.293 32 N C -1.550 174.107 175.510 0.245 0.000 1.083 32 N CA -0.808 52.265 53.050 0.037 0.000 0.801 32 N CB 3.996 42.453 38.487 -0.050 0.000 1.559 32 N HN -0.685 7.742 8.380 0.078 0.000 0.472 33 F N -2.288 117.755 119.950 0.155 0.000 2.693 33 F HA 0.665 5.455 4.527 0.171 -0.161 0.309 33 F C -2.430 173.461 175.800 0.152 0.000 1.129 33 F CA -1.483 56.619 58.000 0.170 0.000 0.948 33 F CB 3.132 42.238 39.000 0.177 0.000 1.315 33 F HN 0.470 8.651 8.300 -0.199 0.000 0.447 34 T N 1.583 116.372 114.554 0.391 0.000 2.886 34 T HA 0.593 5.208 4.350 0.120 -0.193 0.292 34 T C -2.297 172.765 174.700 0.604 0.000 1.012 34 T CA -0.656 61.630 62.100 0.310 0.000 0.982 34 T CB 3.084 72.000 68.868 0.080 0.000 1.018 34 T HN 0.178 8.738 8.240 0.535 0.000 0.451 35 L N 6.591 128.086 121.223 0.454 0.000 2.381 35 L HA 0.804 5.549 4.340 0.383 -0.175 0.274 35 L C -2.747 174.310 176.870 0.311 0.000 0.988 35 L CA -1.405 53.643 54.840 0.347 0.000 0.824 35 L CB 3.695 45.805 42.059 0.085 0.000 1.263 35 L HN 0.490 8.924 8.230 0.340 0.000 0.410 36 c N 5.458 124.301 118.600 0.404 0.000 2.634 36 c HA 1.103 5.859 4.570 -0.069 -0.227 0.313 36 c C -1.397 172.848 174.090 0.257 0.000 1.198 36 c CA -1.704 54.746 56.329 0.202 0.000 1.605 36 c CB 2.623 45.363 42.510 0.384 0.000 2.196 36 c HN 0.567 9.087 8.230 0.483 0.000 0.486 37 F N -3.128 116.774 119.950 -0.080 0.000 2.807 37 F HA 0.836 5.591 4.527 -0.041 -0.253 0.316 37 F C -2.676 173.090 175.800 -0.057 0.000 1.162 37 F CA -1.707 56.254 58.000 -0.065 0.000 0.910 37 F CB 2.088 41.051 39.000 -0.061 0.000 1.314 37 F HN 0.735 8.587 8.300 -0.746 0.000 0.454 38 R N -1.440 119.206 120.500 0.244 0.000 2.589 38 R HA 0.910 5.598 4.340 0.281 -0.179 0.293 38 R C -1.362 175.291 176.300 0.588 0.000 0.963 38 R CA -1.543 54.785 56.100 0.380 0.000 0.905 38 R CB 3.969 34.527 30.300 0.431 0.000 1.144 38 R HN 0.330 8.734 8.270 0.223 0.000 0.459 39 A N 2.419 125.572 122.820 0.555 0.000 2.539 39 A HA 0.910 5.786 4.320 0.587 -0.203 0.296 39 A C -2.709 175.029 177.584 0.257 0.000 1.073 39 A CA -1.717 50.629 52.037 0.515 0.000 0.700 39 A CB 4.524 23.837 19.000 0.520 0.000 1.296 39 A HN 0.731 9.154 8.150 0.454 0.000 0.405 40 Y N 2.286 122.553 120.300 -0.054 0.000 2.307 40 Y HA 0.361 4.728 4.550 -0.305 0.000 0.323 40 Y C -2.393 173.396 175.900 -0.184 0.000 1.100 40 Y CA -1.648 56.210 58.100 -0.404 0.000 1.140 40 Y CB 3.021 40.691 38.460 -1.316 0.000 1.159 40 Y HN 0.280 8.792 8.280 0.386 0.000 0.436 41 S N 5.085 120.732 115.700 -0.089 0.000 2.546 41 S HA 0.282 4.455 4.470 -0.494 0.000 0.274 41 S C -1.261 173.213 174.600 -0.210 0.000 1.121 41 S CA -1.917 56.090 58.200 -0.322 0.000 0.887 41 S CB 2.562 65.504 63.200 -0.429 0.000 1.094 41 S HN 0.257 8.625 8.310 0.097 0.000 0.474 42 D N 3.853 124.092 120.400 -0.268 0.000 2.501 42 D HA 0.148 4.767 4.640 -0.034 0.000 0.226 42 D C -0.152 176.225 176.300 0.129 0.000 1.198 42 D CA -1.065 52.872 54.000 -0.105 0.000 0.830 42 D CB -0.514 40.117 40.800 -0.281 0.000 1.014 42 D HN 0.163 8.323 8.370 -0.350 0.000 0.496 43 L N 0.919 122.157 121.223 0.025 0.000 2.456 43 L HA -0.120 4.244 4.340 0.041 0.000 0.272 43 L C 0.051 177.039 176.870 0.197 0.000 1.189 43 L CA 0.979 55.857 54.840 0.064 0.000 0.846 43 L CB 0.271 42.274 42.059 -0.094 0.000 1.111 43 L HN -0.748 7.348 8.230 -0.138 0.051 0.475 44 S N 0.794 116.529 115.700 0.057 0.000 2.497 44 S HA -0.009 4.285 4.470 -0.293 0.000 0.221 44 S C -0.292 174.263 174.600 -0.076 0.000 1.037 44 S CA 0.920 59.036 58.200 -0.139 0.000 0.920 44 S CB 0.641 63.721 63.200 -0.201 0.000 0.800 44 S HN 0.319 8.661 8.310 0.054 0.000 0.505 45 R N 0.010 120.512 120.500 0.003 0.000 2.822 45 R HA -0.108 4.214 4.340 -0.029 0.000 0.277 45 R C -0.547 175.761 176.300 0.014 0.000 1.102 45 R CA -0.164 55.940 56.100 0.006 0.000 1.207 45 R CB 0.524 30.841 30.300 0.029 0.000 1.139 45 R HN -0.550 7.734 8.270 0.023 0.000 0.557 46 A N 0.210 123.003 122.820 -0.045 0.000 2.425 46 A HA 0.408 4.663 4.320 -0.396 -0.173 0.242 46 A C -0.816 176.680 177.584 -0.146 0.000 1.077 46 A CA -0.604 51.308 52.037 -0.208 0.000 0.781 46 A CB 0.945 19.911 19.000 -0.057 0.000 1.020 46 A HN 0.048 8.187 8.150 -0.018 0.000 0.494 47 Y N -4.359 115.657 120.300 -0.473 0.000 2.624 47 Y HA 0.236 4.789 4.550 -0.197 -0.122 0.334 47 Y C -2.529 173.072 175.900 -0.499 0.000 1.155 47 Y CA -1.963 55.943 58.100 -0.322 0.000 1.046 47 Y CB 1.650 40.065 38.460 -0.075 0.000 1.316 47 Y HN -0.031 7.600 8.280 -1.082 0.000 0.457 48 S N -0.195 115.546 115.700 0.070 0.000 2.513 48 S HA 0.196 4.759 4.470 0.156 0.000 0.276 48 S C -0.169 174.534 174.600 0.171 0.000 1.254 48 S CA -1.489 56.810 58.200 0.164 0.000 1.053 48 S CB 0.953 64.293 63.200 0.232 0.000 0.958 48 S HN -0.147 8.273 8.310 0.183 0.000 0.491 49 L N 5.428 126.750 121.223 0.164 0.000 2.253 49 L HA 0.189 4.439 4.340 -0.151 0.000 0.205 49 L C -0.486 176.345 176.870 -0.064 0.000 1.078 49 L CA 1.103 55.959 54.840 0.028 0.000 0.805 49 L CB 1.499 43.721 42.059 0.271 0.000 0.963 49 L HN 0.295 8.653 8.230 0.213 0.000 0.459 50 F N -1.996 117.909 119.950 -0.074 0.000 2.689 50 F HA 0.253 4.690 4.527 -0.151 0.000 0.332 50 F C -2.779 173.044 175.800 0.038 0.000 1.209 50 F CA -0.893 57.055 58.000 -0.087 0.000 1.028 50 F CB 3.678 42.620 39.000 -0.097 0.000 1.291 50 F HN -0.799 7.666 8.300 0.275 0.000 0.500 51 S N 8.440 124.000 115.700 -0.233 0.000 2.530 51 S HA 0.329 4.823 4.470 0.041 0.000 0.322 51 S C -2.292 172.212 174.600 -0.160 0.000 1.085 51 S CA -1.381 56.763 58.200 -0.094 0.000 1.096 51 S CB 1.385 64.551 63.200 -0.056 0.000 0.988 51 S HN 0.191 8.242 8.310 -0.432 0.000 0.466 52 Y N 8.976 129.190 120.300 -0.143 0.000 2.332 52 Y HA 0.667 5.321 4.550 -0.154 -0.196 0.326 52 Y C -2.847 173.057 175.900 0.006 0.000 0.978 52 Y CA -1.947 56.096 58.100 -0.095 0.000 1.205 52 Y CB 3.180 41.638 38.460 -0.003 0.000 1.131 52 Y HN 0.386 8.779 8.280 0.189 0.000 0.462 53 N N 8.252 127.018 118.700 0.109 0.000 2.292 53 N HA 0.648 5.520 4.740 0.219 0.000 0.303 53 N C -1.300 174.324 175.510 0.191 0.000 1.140 53 N CA -1.308 51.842 53.050 0.166 0.000 0.788 53 N CB 4.620 43.183 38.487 0.128 0.000 1.361 53 N HN -0.014 8.351 8.380 -0.025 0.000 0.489 54 T N -4.525 110.153 114.554 0.208 0.000 2.858 54 T HA 0.431 4.925 4.350 0.240 0.000 0.285 54 T C -1.147 173.456 174.700 -0.162 0.000 1.052 54 T CA -2.533 59.628 62.100 0.102 0.000 1.009 54 T CB 2.592 71.504 68.868 0.074 0.000 1.241 54 T HN 0.167 8.515 8.240 0.180 0.000 0.542 55 Q N 2.211 121.650 119.800 -0.602 0.000 2.271 55 Q HA -0.208 3.680 4.340 -0.753 0.000 0.273 55 Q C 0.997 176.863 176.000 -0.224 0.000 1.051 55 Q CA 1.472 56.893 55.803 -0.637 0.000 0.901 55 Q CB -0.365 27.968 28.738 -0.674 0.000 1.174 55 Q HN 0.512 8.419 8.270 -0.605 0.000 0.385 56 G N 5.141 113.866 108.800 -0.125 0.000 2.184 56 G HA2 -0.298 3.642 3.960 -0.033 0.000 0.264 56 G HA3 -0.298 3.632 3.960 -0.049 0.000 0.264 56 G C -0.619 174.280 174.900 -0.002 0.000 0.975 56 G CA 0.166 45.239 45.100 -0.046 0.000 0.642 56 G HN 0.237 8.458 8.290 -0.115 0.000 0.536 57 R N 0.543 121.053 120.500 0.017 0.000 2.468 57 R HA 0.234 4.607 4.340 0.056 0.000 0.302 57 R C -2.233 174.114 176.300 0.078 0.000 1.041 57 R CA -1.292 54.845 56.100 0.062 0.000 0.899 57 R CB 1.705 32.065 30.300 0.100 0.000 1.167 57 R HN -0.410 7.812 8.270 0.005 0.051 0.483 58 D N 1.808 122.240 120.400 0.052 0.000 2.264 58 D HA 0.011 4.799 4.640 0.048 -0.119 0.249 58 D C 0.139 176.456 176.300 0.029 0.000 1.070 58 D CA -0.316 53.705 54.000 0.035 0.000 0.912 58 D CB 1.694 42.493 40.800 -0.002 0.000 1.193 58 D HN 0.370 8.764 8.370 0.039 0.000 0.427 59 N N 0.985 119.688 118.700 0.005 0.000 2.740 59 N HA -0.466 4.243 4.740 -0.051 0.000 0.248 59 N C -0.074 175.483 175.510 0.078 0.000 1.062 59 N CA 1.311 54.345 53.050 -0.027 0.000 0.704 59 N CB -2.223 36.170 38.487 -0.156 0.000 0.968 59 N HN 0.386 8.971 8.380 0.002 -0.204 0.547 60 E N 0.438 120.725 120.200 0.146 0.000 2.072 60 E HA -0.193 4.259 4.350 0.170 0.000 0.190 60 E C -0.901 175.757 176.600 0.095 0.000 0.982 60 E CA 2.142 58.655 56.400 0.189 0.000 0.803 60 E CB 1.126 31.015 29.700 0.316 0.000 0.755 60 E HN -0.327 8.134 8.360 0.167 0.000 0.453 61 L N -2.486 118.782 121.223 0.076 0.000 2.541 61 L HA 0.682 5.232 4.340 -0.027 -0.226 0.266 61 L C -2.980 173.978 176.870 0.146 0.000 0.966 61 L CA -1.015 53.794 54.840 -0.052 0.000 0.871 61 L CB 2.906 44.643 42.059 -0.538 0.000 1.232 61 L HN -0.416 7.926 8.230 0.186 0.000 0.408 62 L N 6.594 127.949 121.223 0.219 0.000 2.436 62 L HA 0.867 5.574 4.340 0.290 -0.192 0.268 62 L C -2.554 174.564 176.870 0.412 0.000 0.974 62 L CA -1.232 53.767 54.840 0.265 0.000 0.826 62 L CB 4.703 46.780 42.059 0.031 0.000 1.291 62 L HN 0.089 8.465 8.230 0.243 0.000 0.406 63 V N 7.335 127.527 119.914 0.462 0.000 2.347 63 V HA 0.542 5.201 4.120 0.591 -0.185 0.280 63 V C -1.989 174.410 176.094 0.509 0.000 1.021 63 V CA -1.213 61.410 62.300 0.539 0.000 0.847 63 V CB 1.013 33.175 31.823 0.564 0.000 0.990 63 V HN 0.505 8.974 8.190 0.464 0.000 0.444 64 Y N 9.537 130.035 120.300 0.331 0.000 2.442 64 Y HA 0.348 4.977 4.550 0.131 0.000 0.344 64 Y C -2.945 172.972 175.900 0.029 0.000 0.976 64 Y CA -1.610 56.593 58.100 0.172 0.000 1.040 64 Y CB 5.115 43.696 38.460 0.202 0.000 1.228 64 Y HN 0.687 9.323 8.280 0.593 0.000 0.451 65 K N 6.341 126.392 120.400 -0.581 0.000 2.292 65 K HA 0.491 4.593 4.320 -0.581 -0.130 0.270 65 K C -0.075 176.072 176.600 -0.754 0.000 1.062 65 K CA -1.973 53.871 56.287 -0.738 0.000 0.916 65 K CB 0.709 32.545 32.500 -1.108 0.000 1.166 65 K HN 0.290 8.027 8.250 -0.856 0.000 0.458 66 E N 7.509 127.481 120.200 -0.379 0.000 2.112 66 E HA -0.093 4.202 4.350 -0.092 0.000 0.190 66 E C 0.084 176.544 176.600 -0.233 0.000 0.979 66 E CA 1.597 57.894 56.400 -0.172 0.000 0.814 66 E CB 0.671 30.363 29.700 -0.014 0.000 0.762 66 E HN 0.052 8.217 8.360 -0.324 0.000 0.460 67 R N -9.193 111.126 120.500 -0.302 0.000 2.780 67 R HA 0.202 4.383 4.340 -0.266 0.000 0.280 67 R C -1.974 174.145 176.300 -0.302 0.000 1.016 67 R CA -1.774 54.167 56.100 -0.264 0.000 0.854 67 R CB 1.776 31.969 30.300 -0.179 0.000 1.293 67 R HN -0.961 7.095 8.270 -0.357 0.000 0.483 68 V N -1.834 117.917 119.914 -0.271 0.000 2.644 68 V HA -0.393 3.601 4.120 -0.210 0.000 0.305 68 V C 1.094 177.082 176.094 -0.177 0.000 1.053 68 V CA 1.457 63.622 62.300 -0.224 0.000 1.186 68 V CB -0.673 31.009 31.823 -0.235 0.000 0.895 68 V HN 0.318 8.339 8.190 -0.281 0.000 0.490 69 G N 5.286 113.996 108.800 -0.150 0.000 2.159 69 G HA2 -0.461 3.584 3.960 0.018 0.000 0.256 69 G HA3 -0.461 3.468 3.960 -0.052 0.000 0.256 69 G C -1.245 173.582 174.900 -0.122 0.000 0.977 69 G CA 0.091 45.148 45.100 -0.072 0.000 0.652 69 G HN 0.493 8.981 8.290 -0.150 -0.287 0.531 70 E N -0.274 119.733 120.200 -0.322 0.000 2.260 70 E HA 0.604 5.022 4.350 -0.153 -0.160 0.266 70 E C -1.915 174.376 176.600 -0.515 0.000 0.887 70 E CA -1.436 54.797 56.400 -0.278 0.000 0.777 70 E CB 3.413 32.998 29.700 -0.193 0.000 1.205 70 E HN -0.717 7.335 8.360 -0.454 0.036 0.414 71 Y N 4.234 124.339 120.300 -0.326 0.000 2.364 71 Y HA 0.340 4.712 4.550 -0.296 0.000 0.340 71 Y C -1.064 174.609 175.900 -0.379 0.000 0.975 71 Y CA -1.096 56.715 58.100 -0.482 0.000 1.089 71 Y CB 3.179 41.010 38.460 -1.048 0.000 1.192 71 Y HN 0.464 8.665 8.280 -0.132 0.000 0.454 72 S N 1.402 117.166 115.700 0.107 0.000 2.513 72 S HA 0.830 5.629 4.470 0.244 -0.183 0.299 72 S C -1.975 172.975 174.600 0.583 0.000 1.087 72 S CA -1.436 56.941 58.200 0.295 0.000 1.012 72 S CB 2.849 66.200 63.200 0.252 0.000 1.044 72 S HN 0.621 9.031 8.310 0.166 0.000 0.485 73 L N 4.202 125.726 121.223 0.502 0.000 2.333 73 L HA 0.778 5.604 4.340 0.498 -0.187 0.280 73 L C -2.283 174.699 176.870 0.185 0.000 1.004 73 L CA -1.453 53.630 54.840 0.405 0.000 0.820 73 L CB 3.539 45.740 42.059 0.237 0.000 1.247 73 L HN 0.081 8.551 8.230 0.400 0.000 0.416 74 Y N 5.278 125.647 120.300 0.115 0.000 2.342 74 Y HA 0.822 5.613 4.550 0.022 -0.229 0.334 74 Y C -0.276 175.593 175.900 -0.052 0.000 1.067 74 Y CA -1.775 56.342 58.100 0.028 0.000 1.128 74 Y CB 2.528 40.999 38.460 0.019 0.000 1.200 74 Y HN 0.606 9.229 8.280 0.573 0.000 0.464 75 I N 2.076 122.643 120.570 -0.006 0.000 2.439 75 I HA 0.308 4.557 4.170 -0.152 -0.170 0.285 75 I C 0.211 176.239 176.117 -0.148 0.000 1.021 75 I CA -1.947 59.238 61.300 -0.192 0.000 1.091 75 I CB 1.172 38.824 38.000 -0.580 0.000 1.242 75 I HN 0.354 8.558 8.210 -0.010 0.000 0.439 76 G N 8.181 116.943 108.800 -0.063 0.000 2.356 76 G HA2 -0.455 3.696 3.960 0.047 0.000 0.296 76 G HA3 -0.455 3.263 3.960 -0.404 0.000 0.296 76 G C 0.226 175.144 174.900 0.029 0.000 1.022 76 G CA 1.130 46.172 45.100 -0.096 0.000 0.961 76 G HN 0.813 8.999 8.290 0.023 0.118 0.510 77 R N -6.668 113.897 120.500 0.109 0.000 3.746 77 R HA -0.543 3.914 4.340 0.194 0.000 0.465 77 R C -0.242 176.109 176.300 0.086 0.000 0.725 77 R CA 2.383 58.562 56.100 0.133 0.000 1.545 77 R CB -1.690 28.630 30.300 0.034 0.000 2.197 77 R HN -0.036 8.300 8.270 0.125 0.009 0.438 78 H N 0.629 119.683 119.070 -0.027 0.000 2.505 78 H HA 0.214 4.721 4.556 -0.081 0.000 0.351 78 H C -1.360 173.849 175.328 -0.199 0.000 1.151 78 H CA 0.388 56.379 56.048 -0.095 0.000 1.339 78 H CB 1.949 31.644 29.762 -0.111 0.000 1.483 78 H HN -0.597 7.750 8.280 0.247 0.082 0.558 79 K N -0.632 119.635 120.400 -0.222 0.000 2.444 79 K HA 0.851 5.124 4.320 -0.391 -0.187 0.252 79 K C -1.391 175.101 176.600 -0.180 0.000 0.993 79 K CA -1.981 54.048 56.287 -0.430 0.000 0.847 79 K CB 4.161 36.024 32.500 -1.063 0.000 1.340 79 K HN -0.026 8.124 8.250 -0.166 0.000 0.446 80 V N -4.925 114.925 119.914 -0.107 0.000 2.962 80 V HA 0.527 4.639 4.120 -0.013 0.000 0.313 80 V C -2.364 173.763 176.094 0.056 0.000 1.099 80 V CA -1.762 60.543 62.300 0.009 0.000 0.971 80 V CB 3.437 35.315 31.823 0.091 0.000 1.028 80 V HN 0.535 8.663 8.190 -0.104 0.000 0.430 81 T N 4.927 119.513 114.554 0.053 0.000 2.921 81 T HA 0.662 5.253 4.350 0.066 -0.202 0.297 81 T C -1.136 173.584 174.700 0.034 0.000 1.013 81 T CA -0.804 61.321 62.100 0.041 0.000 0.990 81 T CB 2.054 70.917 68.868 -0.008 0.000 1.023 81 T HN 0.010 8.274 8.240 0.039 0.000 0.447 82 S N 4.570 120.269 115.700 -0.003 0.000 2.568 82 S HA 0.444 4.913 4.470 -0.001 0.000 0.293 82 S C -1.702 172.870 174.600 -0.046 0.000 1.089 82 S CA -1.307 56.886 58.200 -0.012 0.000 0.945 82 S CB 2.442 65.666 63.200 0.041 0.000 1.077 82 S HN 0.398 8.670 8.310 -0.063 0.000 0.485 83 K N 1.795 122.177 120.400 -0.029 0.000 2.166 83 K HA 0.938 5.452 4.320 -0.015 -0.203 0.245 83 K C -1.099 175.495 176.600 -0.009 0.000 0.967 83 K CA -1.732 54.544 56.287 -0.019 0.000 0.863 83 K CB 2.539 35.023 32.500 -0.027 0.000 1.107 83 K HN 0.116 8.350 8.250 -0.027 0.000 0.436 84 V N 0.002 119.926 119.914 0.017 0.000 3.147 84 V HA 0.269 4.382 4.120 -0.011 0.000 0.299 84 V C -2.097 174.014 176.094 0.028 0.000 1.302 84 V CA -1.944 60.365 62.300 0.016 0.000 1.015 84 V CB 3.993 35.833 31.823 0.029 0.000 1.086 84 V HN 0.002 8.206 8.190 0.024 0.000 0.437 85 I N 4.827 125.407 120.570 0.017 0.000 2.396 85 I HA 0.054 4.239 4.170 0.026 0.000 0.289 85 I C -0.898 175.248 176.117 0.049 0.000 1.056 85 I CA 0.596 61.911 61.300 0.026 0.000 1.365 85 I CB -0.047 37.962 38.000 0.015 0.000 1.407 85 I HN 0.145 8.358 8.210 0.004 0.000 0.509 86 E N 5.791 126.033 120.200 0.070 0.000 2.390 86 E HA 0.207 4.609 4.350 0.087 0.000 0.277 86 E C -1.039 175.628 176.600 0.113 0.000 0.939 86 E CA -1.650 54.810 56.400 0.099 0.000 0.769 86 E CB 2.319 32.106 29.700 0.145 0.000 1.251 86 E HN -0.038 8.360 8.360 0.064 0.000 0.450 87 K N 0.433 120.903 120.400 0.117 0.000 2.168 87 K HA 0.046 4.441 4.320 0.126 0.000 0.258 87 K C -1.378 175.347 176.600 0.208 0.000 1.010 87 K CA -0.033 56.331 56.287 0.129 0.000 0.929 87 K CB 0.962 33.511 32.500 0.082 0.000 0.998 87 K HN 0.263 8.577 8.250 0.106 0.000 0.479 88 F N 0.565 120.543 119.950 0.047 0.000 2.573 88 F HA 0.403 4.971 4.527 0.068 0.000 0.316 88 F C -2.229 173.599 175.800 0.046 0.000 1.148 88 F CA -3.322 54.709 58.000 0.051 0.000 0.940 88 F CB 2.226 41.246 39.000 0.034 0.000 1.214 88 F HN -0.127 8.299 8.300 0.210 0.000 0.448 89 P HA 0.158 4.137 4.420 -0.735 0.000 0.274 89 P C -2.326 174.908 177.300 -0.111 0.000 1.231 89 P CA -0.815 61.872 63.100 -0.688 0.000 0.790 89 P CB 1.345 32.671 31.700 -0.623 0.000 0.951 90 A N 0.505 123.367 122.820 0.070 0.000 2.566 90 A HA 0.305 4.613 4.320 -0.020 0.000 0.297 90 A C -2.648 174.939 177.584 0.005 0.000 1.059 90 A CA -1.441 50.619 52.037 0.038 0.000 0.691 90 A CB 1.291 20.322 19.000 0.051 0.000 1.282 90 A HN -0.117 8.111 8.150 0.130 0.000 0.401 91 P HA 0.014 4.353 4.420 -0.390 -0.152 0.268 91 P C -1.302 176.030 177.300 0.054 0.000 1.208 91 P CA -0.040 62.870 63.100 -0.316 0.000 0.777 91 P CB 0.516 32.006 31.700 -0.350 0.000 0.875 92 V N -0.437 119.583 119.914 0.178 0.000 2.971 92 V HA 0.338 4.743 4.120 0.216 -0.155 0.309 92 V C -2.005 174.254 176.094 0.274 0.000 1.130 92 V CA -2.421 60.013 62.300 0.224 0.000 0.964 92 V CB 3.244 35.198 31.823 0.218 0.000 1.029 92 V HN 0.144 8.448 8.190 0.191 0.000 0.427 93 H N 8.118 127.283 119.070 0.158 0.000 2.504 93 H HA 0.519 5.273 4.556 0.097 -0.140 0.322 93 H C -1.661 173.628 175.328 -0.066 0.000 1.055 93 H CA -1.686 54.428 56.048 0.109 0.000 1.231 93 H CB 2.132 32.073 29.762 0.299 0.000 1.417 93 H HN 0.071 8.840 8.280 0.316 -0.299 0.472 94 I N 7.460 127.588 120.570 -0.737 0.000 2.465 94 I HA 0.404 4.493 4.170 -0.388 -0.152 0.291 94 I C -1.938 173.794 176.117 -0.642 0.000 1.014 94 I CA -1.183 59.742 61.300 -0.625 0.000 1.093 94 I CB 3.156 40.716 38.000 -0.733 0.000 1.267 94 I HN 0.643 8.276 8.210 -0.961 0.000 0.431 95 c N 7.031 125.497 118.600 -0.222 0.000 2.455 95 c HA 0.984 5.699 4.570 -0.111 -0.211 0.320 95 c C -1.701 172.395 174.090 0.010 0.000 1.226 95 c CA -1.639 54.643 56.329 -0.079 0.000 1.569 95 c CB 2.457 44.953 42.510 -0.025 0.000 2.200 95 c HN 0.509 8.694 8.230 -0.076 0.000 0.491 96 V N 4.702 124.588 119.914 -0.046 0.000 2.686 96 V HA 1.022 5.227 4.120 -0.262 -0.242 0.306 96 V C -2.812 173.199 176.094 -0.138 0.000 1.065 96 V CA -2.700 59.461 62.300 -0.232 0.000 0.894 96 V CB 3.570 35.041 31.823 -0.587 0.000 1.004 96 V HN 0.817 9.013 8.190 0.009 0.000 0.424 97 S N 6.873 122.448 115.700 -0.209 0.000 2.600 97 S HA 0.896 5.239 4.470 -0.461 -0.150 0.300 97 S C -1.979 172.402 174.600 -0.366 0.000 1.087 97 S CA -1.982 56.020 58.200 -0.329 0.000 0.965 97 S CB 3.011 66.087 63.200 -0.206 0.000 1.089 97 S HN 0.251 8.453 8.310 -0.181 0.000 0.496 98 W N 1.418 122.205 121.300 -0.854 0.000 3.256 98 W HA 0.606 5.300 4.660 -0.342 -0.239 0.324 98 W C -2.694 173.603 176.519 -0.370 0.000 1.196 98 W CA -0.452 56.565 57.345 -0.547 0.000 1.206 98 W CB 4.613 33.765 29.460 -0.514 0.000 1.385 98 W HN 0.458 8.131 8.180 -0.846 0.000 0.522 99 E N 7.317 126.928 120.200 -0.982 0.000 2.220 99 E HA 0.465 4.572 4.350 -0.640 -0.141 0.256 99 E C -0.698 175.134 176.600 -1.280 0.000 0.881 99 E CA -1.943 53.952 56.400 -0.842 0.000 0.766 99 E CB 3.014 32.436 29.700 -0.463 0.000 1.187 99 E HN -0.098 7.574 8.360 -1.146 0.000 0.419 100 S N 8.609 123.566 115.700 -1.238 0.000 2.370 100 S HA -0.333 3.434 4.470 -1.171 0.000 0.226 100 S C 1.718 176.119 174.600 -0.331 0.000 1.033 100 S CA 3.691 61.391 58.200 -0.832 0.000 1.011 100 S CB -0.039 63.041 63.200 -0.201 0.000 0.852 100 S HN 0.599 8.329 8.310 -0.967 0.000 0.457 101 S N 0.198 115.750 115.700 -0.247 0.000 2.399 101 S HA -0.240 4.203 4.470 -0.046 0.000 0.231 101 S C 1.234 175.767 174.600 -0.112 0.000 1.022 101 S CA 2.829 60.961 58.200 -0.112 0.000 0.983 101 S CB -0.081 63.067 63.200 -0.087 0.000 0.803 101 S HN 0.437 8.577 8.310 -0.283 0.000 0.480 102 S N -0.653 114.941 115.700 -0.177 0.000 2.505 102 S HA 0.179 4.602 4.470 -0.079 0.000 0.216 102 S C 1.151 175.684 174.600 -0.111 0.000 1.018 102 S CA -0.165 57.960 58.200 -0.124 0.000 0.911 102 S CB 1.576 64.700 63.200 -0.126 0.000 0.818 102 S HN -0.745 7.404 8.310 -0.254 0.009 0.497 103 G N 2.485 111.161 108.800 -0.208 0.000 2.184 103 G HA2 -0.346 3.659 3.960 -0.058 0.000 0.264 103 G HA3 -0.346 3.666 3.960 0.087 0.000 0.264 103 G C -0.562 174.324 174.900 -0.023 0.000 0.975 103 G CA 0.637 45.702 45.100 -0.059 0.000 0.642 103 G HN -0.035 7.943 8.290 -0.351 0.102 0.536 104 I N 2.405 122.882 120.570 -0.155 0.000 2.496 104 I HA 0.074 4.444 4.170 0.029 -0.183 0.285 104 I C -1.063 175.054 176.117 0.001 0.000 1.080 104 I CA -1.348 59.924 61.300 -0.045 0.000 1.404 104 I CB -1.083 36.874 38.000 -0.071 0.000 1.403 104 I HN -0.658 7.364 8.210 -0.230 0.049 0.539 105 A N 8.158 131.053 122.820 0.125 0.000 2.288 105 A HA 0.742 5.341 4.320 0.100 -0.219 0.320 105 A C -1.538 176.058 177.584 0.021 0.000 1.217 105 A CA -2.290 49.813 52.037 0.111 0.000 0.840 105 A CB 2.661 21.754 19.000 0.155 0.000 1.179 105 A HN 0.663 8.889 8.150 0.127 0.000 0.504 106 E N 3.982 124.162 120.200 -0.032 0.000 2.145 106 E HA 0.411 4.768 4.350 0.010 0.000 0.262 106 E C -1.609 174.993 176.600 0.003 0.000 0.883 106 E CA -1.794 54.619 56.400 0.022 0.000 0.748 106 E CB 2.739 32.547 29.700 0.181 0.000 1.140 106 E HN -0.047 8.274 8.360 -0.066 0.000 0.417 107 F N 4.448 124.400 119.950 0.003 0.000 2.394 107 F HA 0.381 5.140 4.527 0.076 -0.187 0.340 107 F C -0.359 175.358 175.800 -0.138 0.000 1.105 107 F CA -0.307 57.687 58.000 -0.010 0.000 1.124 107 F CB 2.370 41.323 39.000 -0.078 0.000 1.145 107 F HN 0.456 8.867 8.300 0.185 0.000 0.505 108 W N 2.709 124.033 121.300 0.040 0.000 2.619 108 W HA 0.489 5.299 4.660 -0.056 -0.184 0.327 108 W C -1.379 175.062 176.519 -0.129 0.000 1.027 108 W CA -1.355 55.956 57.345 -0.057 0.000 1.233 108 W CB 2.499 31.916 29.460 -0.073 0.000 1.370 108 W HN 0.774 9.206 8.180 0.420 0.000 0.453 109 I N 3.529 124.087 120.570 -0.020 0.000 2.389 109 I HA 0.604 4.857 4.170 -0.153 -0.174 0.288 109 I C -0.224 175.824 176.117 -0.115 0.000 0.999 109 I CA -3.032 58.191 61.300 -0.129 0.000 1.129 109 I CB 0.210 38.076 38.000 -0.223 0.000 1.288 109 I HN 0.546 8.723 8.210 -0.055 0.000 0.444 110 N N 7.581 126.202 118.700 -0.132 0.000 2.727 110 N HA -0.359 4.070 4.740 -0.517 0.000 0.249 110 N C 0.097 175.063 175.510 -0.908 0.000 1.048 110 N CA 1.400 54.183 53.050 -0.445 0.000 0.714 110 N CB -1.650 36.761 38.487 -0.126 0.000 0.959 110 N HN 1.050 9.410 8.380 -0.035 0.000 0.544 111 G N -6.860 101.559 108.800 -0.635 0.000 2.162 111 G HA2 -0.400 3.495 3.960 -0.109 0.000 0.260 111 G HA3 -0.400 3.201 3.960 -0.599 0.000 0.260 111 G C -0.624 174.329 174.900 0.087 0.000 0.976 111 G CA 0.166 45.066 45.100 -0.332 0.000 0.655 111 G HN 0.453 8.537 8.290 -0.324 0.012 0.533 112 T N -1.109 113.459 114.554 0.023 0.000 2.823 112 T HA 0.431 4.778 4.350 -0.006 0.000 0.279 112 T C -2.784 171.757 174.700 -0.266 0.000 0.998 112 T CA -3.601 58.467 62.100 -0.052 0.000 0.994 112 T CB 1.273 70.085 68.868 -0.093 0.000 0.960 112 T HN -0.436 7.615 8.240 -0.051 0.158 0.448 113 P HA 0.198 3.780 4.420 -1.606 -0.126 0.286 113 P C -0.869 176.087 177.300 -0.573 0.000 1.269 113 P CA -0.783 61.594 63.100 -1.204 0.000 0.787 113 P CB 0.902 31.658 31.700 -1.573 0.000 0.920 114 L N 4.281 125.241 121.223 -0.439 0.000 2.479 114 L HA 0.251 4.476 4.340 -0.193 0.000 0.249 114 L C -0.046 176.707 176.870 -0.195 0.000 1.178 114 L CA -0.590 54.118 54.840 -0.220 0.000 0.811 114 L CB 0.711 42.711 42.059 -0.098 0.000 1.187 114 L HN 0.113 8.061 8.230 -0.470 0.000 0.480 115 V N 0.398 120.248 119.914 -0.107 0.000 2.585 115 V HA -0.073 3.986 4.120 -0.101 0.000 0.296 115 V C -0.470 175.601 176.094 -0.039 0.000 1.035 115 V CA 0.119 62.373 62.300 -0.077 0.000 1.084 115 V CB 1.178 32.974 31.823 -0.045 0.000 0.953 115 V HN 0.355 8.494 8.190 -0.085 0.000 0.483 116 K N 7.148 127.520 120.400 -0.047 0.000 2.436 116 K HA 0.001 4.461 4.320 0.003 -0.138 0.275 116 K C -0.542 176.072 176.600 0.023 0.000 0.999 116 K CA 1.195 57.477 56.287 -0.009 0.000 0.980 116 K CB 0.759 33.247 32.500 -0.021 0.000 0.919 116 K HN 0.302 8.512 8.250 -0.067 0.000 0.484 117 K N 0.301 120.736 120.400 0.057 0.000 2.409 117 K HA 0.391 4.741 4.320 0.049 0.000 0.252 117 K C -1.280 175.371 176.600 0.085 0.000 1.036 117 K CA -2.072 54.256 56.287 0.068 0.000 0.871 117 K CB 3.841 36.395 32.500 0.091 0.000 1.374 117 K HN -0.000 8.292 8.250 0.071 0.000 0.459 118 G N -1.440 107.414 108.800 0.090 0.000 2.667 118 G HA2 0.824 5.075 3.960 0.159 0.000 0.298 118 G HA3 0.824 4.838 3.960 0.089 0.000 0.298 118 G C -2.023 172.960 174.900 0.139 0.000 1.377 118 G CA -0.390 44.783 45.100 0.121 0.000 0.964 118 G HN -0.064 8.272 8.290 0.077 0.000 0.493 119 L N -3.760 117.599 121.223 0.228 0.000 2.653 119 L HA 0.476 4.885 4.340 0.114 0.000 0.257 119 L C -1.277 175.779 176.870 0.310 0.000 0.969 119 L CA -0.347 54.604 54.840 0.185 0.000 0.869 119 L CB 3.661 45.788 42.059 0.113 0.000 1.439 119 L HN 0.344 8.772 8.230 0.330 0.000 0.414 120 R N -2.966 117.614 120.500 0.134 0.000 3.525 120 R HA -0.398 3.947 4.340 0.008 0.000 0.276 120 R C -0.826 175.722 176.300 0.414 0.000 1.116 120 R CA 0.749 56.959 56.100 0.184 0.000 0.745 120 R CB -2.439 27.916 30.300 0.092 0.000 1.185 120 R HN 0.574 8.854 8.270 0.016 0.000 0.454 121 Q N 0.020 119.966 119.800 0.244 0.000 2.263 121 Q HA -0.276 4.315 4.340 0.146 -0.163 0.289 121 Q C 1.598 177.706 176.000 0.180 0.000 1.061 121 Q CA 1.354 57.257 55.803 0.167 0.000 0.927 121 Q CB 0.158 28.941 28.738 0.074 0.000 1.154 121 Q HN -0.285 8.072 8.270 0.174 0.016 0.378 122 G N 6.139 115.050 108.800 0.185 0.000 2.225 122 G HA2 -0.472 3.581 3.960 0.155 0.000 0.254 122 G HA3 -0.472 3.558 3.960 0.118 0.000 0.254 122 G C -1.235 173.822 174.900 0.263 0.000 0.988 122 G CA -0.211 44.995 45.100 0.177 0.000 0.625 122 G HN 0.519 8.787 8.290 0.145 0.109 0.527 123 Y N 1.167 121.648 120.300 0.302 0.000 2.326 123 Y HA -0.074 4.579 4.550 0.172 0.000 0.333 123 Y C -1.746 174.589 175.900 0.725 0.000 1.240 123 Y CA 0.518 58.831 58.100 0.356 0.000 1.365 123 Y CB 1.278 39.944 38.460 0.345 0.000 1.289 123 Y HN -0.512 8.064 8.280 0.603 0.066 0.548 124 F N 2.331 122.019 119.950 -0.436 0.000 2.467 124 F HA 0.191 4.884 4.527 0.085 -0.115 0.336 124 F C -0.291 175.191 175.800 -0.529 0.000 1.123 124 F CA -3.537 54.321 58.000 -0.236 0.000 0.964 124 F CB 2.000 40.913 39.000 -0.144 0.000 1.136 124 F HN -0.300 7.634 8.300 -0.611 0.000 0.447 125 V N 4.524 124.506 119.914 0.113 0.000 2.529 125 V HA -0.221 4.149 4.120 0.174 -0.146 0.292 125 V C 0.347 176.524 176.094 0.138 0.000 1.028 125 V CA 0.718 63.092 62.300 0.123 0.000 1.074 125 V CB 0.408 32.292 31.823 0.101 0.000 0.958 125 V HN 0.287 8.665 8.190 0.312 0.000 0.481 126 E N 7.061 127.367 120.200 0.178 0.000 2.404 126 E HA -0.153 4.274 4.350 0.129 0.000 0.261 126 E C -1.150 175.598 176.600 0.246 0.000 1.074 126 E CA 0.789 57.295 56.400 0.178 0.000 0.917 126 E CB 1.041 30.834 29.700 0.154 0.000 0.965 126 E HN -0.232 8.578 8.360 0.218 -0.320 0.433 127 A N 0.077 122.995 122.820 0.163 0.000 2.274 127 A HA 0.046 4.485 4.320 0.199 0.000 0.297 127 A C -0.598 177.035 177.584 0.082 0.000 1.191 127 A CA -0.840 51.284 52.037 0.145 0.000 0.889 127 A CB 1.470 20.535 19.000 0.109 0.000 1.294 127 A HN -0.012 8.214 8.150 0.127 0.000 0.506 128 Q N -4.371 115.464 119.800 0.058 0.000 2.453 128 Q HA -0.338 4.031 4.340 0.048 0.000 0.330 128 Q C -2.379 173.661 176.000 0.066 0.000 1.417 128 Q CA 0.227 56.062 55.803 0.053 0.000 0.902 128 Q CB -2.666 26.106 28.738 0.056 0.000 1.154 128 Q HN -0.175 8.135 8.270 0.067 0.000 0.395 129 P HA 0.198 4.673 4.420 -0.168 -0.156 0.276 129 P C -0.468 176.705 177.300 -0.212 0.000 1.252 129 P CA -0.888 62.019 63.100 -0.322 0.000 0.802 129 P CB 1.223 32.198 31.700 -1.209 0.000 1.035 130 K N -1.231 119.008 120.400 -0.269 0.000 2.235 130 K HA 0.279 4.414 4.320 -0.309 0.000 0.266 130 K C -1.063 175.355 176.600 -0.302 0.000 0.980 130 K CA -0.843 55.234 56.287 -0.351 0.000 0.849 130 K CB 2.160 34.339 32.500 -0.535 0.000 1.098 130 K HN -0.121 8.034 8.250 -0.157 0.000 0.445 131 I N 4.563 124.974 120.570 -0.264 0.000 2.389 131 I HA 0.671 4.823 4.170 -0.360 -0.198 0.288 131 I C -1.250 174.718 176.117 -0.248 0.000 0.999 131 I CA -1.215 59.899 61.300 -0.311 0.000 1.129 131 I CB 2.130 39.960 38.000 -0.282 0.000 1.288 131 I HN 0.414 8.491 8.210 -0.221 0.000 0.444 132 V N 7.090 126.834 119.914 -0.284 0.000 2.588 132 V HA 0.707 4.962 4.120 -0.100 -0.195 0.304 132 V C -1.342 174.603 176.094 -0.248 0.000 1.042 132 V CA -1.870 60.325 62.300 -0.175 0.000 0.877 132 V CB 3.203 34.970 31.823 -0.094 0.000 0.996 132 V HN 0.660 8.636 8.190 -0.357 0.000 0.425 133 L N 4.110 125.231 121.223 -0.171 0.000 2.322 133 L HA 0.381 4.546 4.340 -0.291 0.000 0.279 133 L C 0.608 177.285 176.870 -0.322 0.000 1.036 133 L CA -1.033 53.670 54.840 -0.227 0.000 0.807 133 L CB 1.137 43.158 42.059 -0.062 0.000 1.226 133 L HN 0.450 8.619 8.230 -0.103 0.000 0.433 134 G N -1.273 107.164 108.800 -0.605 0.000 2.254 134 G HA2 -0.335 3.038 3.960 -0.979 0.000 0.225 134 G HA3 -0.335 3.210 3.960 -0.691 0.000 0.225 134 G C -1.353 173.332 174.900 -0.358 0.000 1.003 134 G CA 0.448 45.115 45.100 -0.721 0.000 0.622 134 G HN 0.482 8.431 8.290 -0.568 0.000 0.507 135 Q N -1.677 117.894 119.800 -0.381 0.000 2.456 135 Q HA 0.237 4.423 4.340 -0.257 0.000 0.284 135 Q C -2.061 173.815 176.000 -0.207 0.000 1.061 135 Q CA -1.555 54.000 55.803 -0.414 0.000 0.799 135 Q CB 3.566 31.614 28.738 -1.150 0.000 1.445 135 Q HN -0.473 7.503 8.270 -0.377 0.068 0.411 136 E N 1.467 121.655 120.200 -0.019 0.000 2.146 136 E HA 0.060 4.443 4.350 0.055 0.000 0.282 136 E C -0.848 175.865 176.600 0.187 0.000 0.989 136 E CA -1.592 54.859 56.400 0.084 0.000 0.799 136 E CB 0.766 30.546 29.700 0.134 0.000 1.088 136 E HN 0.318 8.683 8.360 0.009 0.000 0.397 137 Q N 6.479 126.372 119.800 0.155 0.000 2.327 137 Q HA -0.012 4.608 4.340 0.235 -0.139 0.254 137 Q C -0.178 175.844 176.000 0.038 0.000 0.952 137 Q CA 0.767 56.659 55.803 0.148 0.000 0.884 137 Q CB 1.132 29.918 28.738 0.080 0.000 1.224 137 Q HN -0.054 8.271 8.270 0.092 0.000 0.422 138 D N 0.241 120.634 120.400 -0.012 0.000 2.433 138 D HA 0.372 5.227 4.640 -0.027 -0.231 0.211 138 D C -0.244 176.033 176.300 -0.038 0.000 1.114 138 D CA 0.036 54.017 54.000 -0.033 0.000 0.837 138 D CB 1.854 42.632 40.800 -0.037 0.000 0.984 138 D HN -0.141 8.203 8.370 -0.043 0.000 0.505 139 S N -1.634 114.032 115.700 -0.057 0.000 2.851 139 S HA 0.094 4.566 4.470 0.003 0.000 0.317 139 S C -1.345 173.276 174.600 0.034 0.000 1.144 139 S CA -1.595 56.591 58.200 -0.024 0.000 0.862 139 S CB 1.574 64.730 63.200 -0.073 0.000 1.259 139 S HN -0.553 7.703 8.310 -0.090 0.000 0.564 140 Y N 2.749 123.000 120.300 -0.081 0.000 2.594 140 Y HA -0.125 4.387 4.550 -0.063 0.000 0.344 140 Y C 0.277 176.125 175.900 -0.086 0.000 1.185 140 Y CA 0.523 58.581 58.100 -0.071 0.000 1.565 140 Y CB -1.395 37.032 38.460 -0.054 0.000 1.415 140 Y HN 0.126 8.501 8.280 0.159 0.000 0.488 141 G N 5.448 114.099 108.800 -0.248 0.000 2.201 141 G HA2 -0.272 3.610 3.960 -0.239 0.000 0.212 141 G HA3 -0.272 3.500 3.960 -0.313 0.000 0.212 141 G C -1.437 173.291 174.900 -0.288 0.000 0.994 141 G CA -0.263 44.676 45.100 -0.268 0.000 0.644 141 G HN 0.322 8.743 8.290 -0.160 -0.227 0.508 142 G N -1.543 107.004 108.800 -0.422 0.000 2.793 142 G HA2 0.284 3.173 3.960 -1.785 0.000 0.248 142 G HA3 0.284 3.780 3.960 -0.773 0.000 0.248 142 G C -2.353 172.064 174.900 -0.805 0.000 1.198 142 G CA 0.139 44.660 45.100 -0.965 0.000 0.865 142 G HN -0.653 7.460 8.290 -0.294 0.000 0.534 143 K N -1.251 118.739 120.400 -0.684 0.000 3.653 143 K HA -0.372 3.777 4.320 -0.285 0.000 0.275 143 K C -1.129 175.345 176.600 -0.211 0.000 0.962 143 K CA 0.618 56.700 56.287 -0.342 0.000 0.773 143 K CB -1.379 31.014 32.500 -0.179 0.000 1.463 143 K HN 0.188 8.032 8.250 -0.676 0.000 0.450 144 F N -1.774 118.132 119.950 -0.074 0.000 2.375 144 F HA 0.570 5.268 4.527 -0.068 -0.212 0.313 144 F C 1.210 176.991 175.800 -0.031 0.000 1.176 144 F CA -2.214 55.746 58.000 -0.066 0.000 1.142 144 F CB 1.481 40.426 39.000 -0.091 0.000 1.275 144 F HN -0.280 7.769 8.300 -0.419 0.000 0.544 145 D N -0.296 120.227 120.400 0.206 0.000 2.602 145 D HA 0.159 4.858 4.640 0.099 0.000 0.245 145 D C -0.386 175.971 176.300 0.095 0.000 1.325 145 D CA -1.365 52.705 54.000 0.115 0.000 0.952 145 D CB 1.497 42.351 40.800 0.090 0.000 1.317 145 D HN 0.264 8.764 8.370 0.217 0.000 0.577 146 R N 7.203 127.749 120.500 0.077 0.000 2.139 146 R HA -0.344 4.213 4.340 0.050 -0.188 0.243 146 R C 1.749 178.079 176.300 0.050 0.000 1.145 146 R CA 2.883 59.017 56.100 0.056 0.000 0.976 146 R CB 0.063 30.393 30.300 0.049 0.000 0.866 146 R HN 0.412 8.728 8.270 0.077 0.000 0.449 147 S N -2.451 113.284 115.700 0.059 0.000 2.561 147 S HA -0.082 4.418 4.470 0.050 0.000 0.225 147 S C 0.689 175.344 174.600 0.092 0.000 0.977 147 S CA 2.218 60.456 58.200 0.063 0.000 0.926 147 S CB -0.499 62.736 63.200 0.058 0.000 0.769 147 S HN -0.192 8.417 8.310 0.062 -0.263 0.533 148 Q N -0.737 119.129 119.800 0.109 0.000 2.171 148 Q HA 0.320 4.766 4.340 0.176 0.000 0.218 148 Q C -0.943 175.131 176.000 0.124 0.000 0.822 148 Q CA -1.134 54.765 55.803 0.161 0.000 0.987 148 Q CB 1.992 30.866 28.738 0.227 0.000 1.144 148 Q HN -0.214 7.945 8.270 0.096 0.169 0.494 149 S N 1.057 116.792 115.700 0.059 0.000 2.572 149 S HA -0.039 4.521 4.470 -0.024 -0.105 0.279 149 S C -0.601 173.991 174.600 -0.013 0.000 1.341 149 S CA -0.211 57.988 58.200 -0.003 0.000 1.043 149 S CB 0.776 63.958 63.200 -0.030 0.000 0.887 149 S HN -0.610 7.619 8.310 0.051 0.111 0.516 150 F N 3.478 123.278 119.950 -0.250 0.000 2.410 150 F HA 0.206 4.470 4.527 -0.438 0.000 0.349 150 F C -1.347 174.249 175.800 -0.340 0.000 1.117 150 F CA -0.282 57.489 58.000 -0.381 0.000 1.104 150 F CB 1.801 40.530 39.000 -0.451 0.000 1.122 150 F HN -0.489 7.676 8.300 -0.038 0.113 0.483 151 V N 7.031 126.347 119.914 -0.997 0.000 2.448 151 V HA 0.258 4.269 4.120 -0.398 -0.130 0.295 151 V C -1.302 174.163 176.094 -1.048 0.000 1.025 151 V CA -1.147 60.738 62.300 -0.693 0.000 0.859 151 V CB 1.700 33.286 31.823 -0.394 0.000 0.988 151 V HN 0.076 7.588 8.190 -1.131 0.000 0.431 152 G N 6.504 114.948 108.800 -0.593 0.000 2.260 152 G HA2 -0.028 3.742 3.960 -0.317 0.000 0.250 152 G HA3 -0.028 3.658 3.960 -0.656 -0.119 0.250 152 G C -3.036 171.998 174.900 0.224 0.000 1.340 152 G CA 0.088 44.947 45.100 -0.401 0.000 1.056 152 G HN 0.188 8.326 8.290 -0.254 0.000 0.471 153 E N -0.183 120.276 120.200 0.430 0.000 2.248 153 E HA 0.990 5.941 4.350 0.645 -0.214 0.267 153 E C -1.395 175.666 176.600 0.769 0.000 0.877 153 E CA -1.758 55.023 56.400 0.636 0.000 0.759 153 E CB 4.328 34.403 29.700 0.624 0.000 1.182 153 E HN -0.072 8.482 8.360 0.324 0.000 0.418 154 I N 1.744 122.725 120.570 0.685 0.000 2.533 154 I HA 0.777 5.443 4.170 0.487 -0.204 0.290 154 I C -1.600 174.680 176.117 0.272 0.000 1.056 154 I CA -1.713 59.866 61.300 0.465 0.000 1.057 154 I CB 3.809 41.985 38.000 0.294 0.000 1.240 154 I HN 0.291 8.917 8.210 0.693 0.000 0.423 155 G N 1.774 110.575 108.800 0.002 0.000 2.727 155 G HA2 0.538 3.874 3.960 -1.040 0.000 0.289 155 G HA3 0.538 4.272 3.960 -0.377 0.000 0.289 155 G C -2.093 172.181 174.900 -1.045 0.000 1.418 155 G CA -1.042 43.670 45.100 -0.646 0.000 0.818 155 G HN 0.285 8.664 8.290 0.149 0.000 0.486 156 D N -3.690 115.629 120.400 -1.801 0.000 2.689 156 D HA -0.451 3.609 4.640 -0.967 0.000 0.237 156 D C -1.204 174.788 176.300 -0.513 0.000 1.148 156 D CA 1.432 54.891 54.000 -0.901 0.000 0.656 156 D CB -0.498 40.210 40.800 -0.154 0.000 1.050 156 D HN 0.432 7.228 8.370 -2.624 0.000 0.426 157 L N -1.759 118.919 121.223 -0.907 0.000 2.276 157 L HA 0.488 5.077 4.340 0.026 -0.233 0.286 157 L C -2.082 174.562 176.870 -0.376 0.000 1.061 157 L CA -0.510 54.181 54.840 -0.248 0.000 0.807 157 L CB 1.588 43.605 42.059 -0.070 0.000 1.177 157 L HN -0.602 6.653 8.230 -1.625 0.000 0.429 158 Y N 3.016 123.342 120.300 0.042 0.000 2.534 158 Y HA 0.393 5.000 4.550 -0.191 -0.171 0.345 158 Y C -1.723 174.002 175.900 -0.291 0.000 1.031 158 Y CA -1.728 56.224 58.100 -0.247 0.000 1.022 158 Y CB 4.691 42.801 38.460 -0.582 0.000 1.292 158 Y HN 0.521 8.944 8.280 0.237 0.000 0.459 159 M N 1.159 120.607 119.600 -0.254 0.000 2.267 159 M HA 0.755 5.571 4.480 0.223 -0.203 0.289 159 M C -2.334 173.930 176.300 -0.060 0.000 1.043 159 M CA -0.629 54.673 55.300 0.005 0.000 0.928 159 M CB 4.285 36.949 32.600 0.105 0.000 1.613 159 M HN 0.427 8.531 8.290 -0.310 0.000 0.450 160 W N 3.121 124.538 121.300 0.195 0.000 2.706 160 W HA 0.659 5.566 4.660 0.148 -0.159 0.346 160 W C 0.080 176.704 176.519 0.175 0.000 1.071 160 W CA -1.656 55.783 57.345 0.156 0.000 1.206 160 W CB 3.801 33.324 29.460 0.105 0.000 1.413 160 W HN 0.899 9.531 8.180 0.753 0.000 0.542 161 D N -3.085 117.530 120.400 0.357 0.000 2.519 161 D HA -0.004 4.917 4.640 0.304 -0.099 0.238 161 D C -1.284 175.134 176.300 0.197 0.000 1.192 161 D CA -0.165 53.993 54.000 0.264 0.000 0.835 161 D CB -0.726 40.183 40.800 0.182 0.000 0.975 161 D HN -0.123 8.677 8.370 0.323 -0.237 0.490 162 S N -5.528 110.292 115.700 0.200 0.000 2.671 162 S HA 0.163 4.656 4.470 0.037 0.000 0.277 162 S C -1.474 173.123 174.600 -0.005 0.000 1.165 162 S CA -1.877 56.363 58.200 0.066 0.000 0.822 162 S CB 3.209 66.428 63.200 0.031 0.000 1.150 162 S HN -0.914 7.478 8.310 0.282 0.087 0.479 163 V N 2.654 122.512 119.914 -0.092 0.000 2.368 163 V HA 0.240 4.263 4.120 -0.162 0.000 0.266 163 V C 0.171 176.140 176.094 -0.208 0.000 1.045 163 V CA -0.670 61.538 62.300 -0.154 0.000 0.899 163 V CB 0.593 32.323 31.823 -0.155 0.000 1.006 163 V HN 0.275 8.411 8.190 -0.090 0.000 0.470 164 L N 9.330 130.366 121.223 -0.312 0.000 2.453 164 L HA 0.188 4.285 4.340 -0.405 0.000 0.272 164 L C -1.229 175.436 176.870 -0.342 0.000 1.182 164 L CA -1.449 53.138 54.840 -0.421 0.000 0.858 164 L CB -0.648 41.022 42.059 -0.648 0.000 1.120 164 L HN -0.130 7.908 8.230 -0.319 0.000 0.474 165 P HA 0.322 4.630 4.420 -0.187 0.000 0.276 165 P C -1.472 175.618 177.300 -0.351 0.000 1.252 165 P CA -2.324 60.631 63.100 -0.242 0.000 0.802 165 P CB -0.412 31.184 31.700 -0.174 0.000 1.035 166 P HA -0.290 3.571 4.420 -0.932 0.000 0.216 166 P C 1.534 178.599 177.300 -0.392 0.000 1.153 166 P CA 3.004 65.821 63.100 -0.473 0.000 0.858 166 P CB 0.123 31.767 31.700 -0.093 0.000 0.789 167 E N -4.405 115.655 120.200 -0.232 0.000 2.274 167 E HA -0.231 4.026 4.350 -0.156 0.000 0.194 167 E C 2.424 178.896 176.600 -0.213 0.000 0.996 167 E CA 2.838 59.131 56.400 -0.177 0.000 0.840 167 E CB -0.648 28.984 29.700 -0.113 0.000 0.772 167 E HN 0.544 8.791 8.360 -0.189 0.000 0.491 168 N N -0.390 118.142 118.700 -0.280 0.000 2.300 168 N HA -0.137 4.460 4.740 -0.239 0.000 0.179 168 N C 1.753 177.040 175.510 -0.372 0.000 1.016 168 N CA 2.387 55.250 53.050 -0.310 0.000 0.876 168 N CB -0.216 38.054 38.487 -0.362 0.000 0.979 168 N HN -0.569 7.616 8.380 -0.298 0.016 0.432 169 I N 1.589 121.869 120.570 -0.483 0.000 2.226 169 I HA -0.451 3.475 4.170 -0.406 0.000 0.245 169 I C 1.635 177.593 176.117 -0.265 0.000 1.100 169 I CA 4.363 65.375 61.300 -0.480 0.000 1.374 169 I CB -0.043 37.414 38.000 -0.905 0.000 1.057 169 I HN -0.573 7.307 8.210 -0.551 0.000 0.413 170 L N -1.668 119.408 121.223 -0.244 0.000 2.083 170 L HA -0.461 3.894 4.340 0.026 0.000 0.209 170 L C 2.316 179.155 176.870 -0.051 0.000 1.083 170 L CA 3.380 58.181 54.840 -0.065 0.000 0.752 170 L CB -0.785 41.246 42.059 -0.046 0.000 0.899 170 L HN -0.223 7.819 8.230 -0.312 0.000 0.433 171 S N -0.959 114.675 115.700 -0.110 0.000 2.368 171 S HA -0.305 4.111 4.470 -0.090 0.000 0.225 171 S C 1.796 176.333 174.600 -0.105 0.000 1.030 171 S CA 2.982 61.121 58.200 -0.101 0.000 0.999 171 S CB -0.530 62.607 63.200 -0.104 0.000 0.844 171 S HN -0.520 7.703 8.310 -0.145 0.000 0.459 172 A N 0.866 123.630 122.820 -0.094 0.000 1.902 172 A HA -0.197 4.168 4.320 -0.054 -0.078 0.217 172 A C 2.399 179.874 177.584 -0.182 0.000 1.181 172 A CA 2.882 54.894 52.037 -0.043 0.000 0.623 172 A CB -0.880 18.191 19.000 0.118 0.000 0.818 172 A HN -0.575 7.506 8.150 -0.114 0.000 0.443 173 Y N 0.558 120.587 120.300 -0.453 0.000 2.165 173 Y HA -0.407 3.147 4.550 -1.659 0.000 0.286 173 Y C 2.042 177.701 175.900 -0.401 0.000 1.155 173 Y CA 2.453 60.086 58.100 -0.779 0.000 1.164 173 Y CB -0.208 38.008 38.460 -0.407 0.000 0.978 173 Y HN -0.208 8.029 8.280 -0.073 0.000 0.513 174 Q N -1.569 118.001 119.800 -0.382 0.000 2.472 174 Q HA -0.155 3.865 4.340 -0.533 0.000 0.208 174 Q C 0.414 176.259 176.000 -0.259 0.000 0.958 174 Q CA 1.314 56.893 55.803 -0.374 0.000 0.932 174 Q CB 0.347 28.960 28.738 -0.209 0.000 1.007 174 Q HN -0.239 7.893 8.270 -0.214 0.009 0.508 175 G N -1.344 107.330 108.800 -0.211 0.000 2.148 175 G HA2 -0.264 3.635 3.960 -0.103 0.000 0.203 175 G HA3 -0.264 3.619 3.960 -0.128 0.000 0.203 175 G C -0.298 174.551 174.900 -0.084 0.000 0.993 175 G CA -0.175 44.849 45.100 -0.128 0.000 0.661 175 G HN -0.286 7.704 8.290 -0.218 0.169 0.518 176 T N -1.012 113.485 114.554 -0.096 0.000 3.514 176 T HA 0.425 4.738 4.350 -0.062 0.000 0.259 176 T C -2.505 172.143 174.700 -0.086 0.000 1.466 176 T CA -3.538 58.517 62.100 -0.076 0.000 1.562 176 T CB 1.214 70.044 68.868 -0.064 0.000 0.924 176 T HN -0.220 7.952 8.240 -0.113 0.000 0.678 177 P HA -0.041 4.357 4.420 -0.036 0.000 0.268 177 P C -0.019 177.274 177.300 -0.012 0.000 1.205 177 P CA -0.402 62.634 63.100 -0.107 0.000 0.771 177 P CB 0.809 32.231 31.700 -0.463 0.000 0.858 178 L N 2.366 123.654 121.223 0.108 0.000 2.473 178 L HA 0.165 4.554 4.340 0.083 0.000 0.268 178 L C -0.759 176.304 176.870 0.322 0.000 1.215 178 L CA -1.304 53.631 54.840 0.158 0.000 0.823 178 L CB -0.855 41.259 42.059 0.091 0.000 1.099 178 L HN 0.205 8.488 8.230 0.088 0.000 0.483 179 P HA -0.125 4.367 4.420 0.121 0.000 0.262 179 P C -1.896 175.548 177.300 0.240 0.000 1.182 179 P CA 0.610 63.820 63.100 0.184 0.000 0.761 179 P CB -0.073 31.706 31.700 0.132 0.000 0.795 180 A N 3.845 126.633 122.820 -0.053 0.000 2.342 180 A HA 0.241 4.139 4.320 -0.703 0.000 0.323 180 A C -1.215 176.269 177.584 -0.167 0.000 1.125 180 A CA -1.320 50.418 52.037 -0.499 0.000 0.785 180 A CB 2.361 20.774 19.000 -0.977 0.000 1.221 180 A HN 0.123 8.263 8.150 -0.017 0.000 0.463 181 N N 2.902 121.550 118.700 -0.086 0.000 2.184 181 N HA 0.124 4.878 4.740 0.023 0.000 0.206 181 N C -0.098 175.438 175.510 0.044 0.000 1.151 181 N CA 0.365 53.430 53.050 0.024 0.000 0.878 181 N CB 0.568 39.104 38.487 0.083 0.000 1.014 181 N HN 0.259 8.581 8.380 -0.096 0.000 0.512 182 I N -1.950 118.639 120.570 0.032 0.000 2.899 182 I HA 0.017 4.243 4.170 0.094 0.000 0.257 182 I C -1.081 175.082 176.117 0.076 0.000 1.115 182 I CA 2.289 63.639 61.300 0.082 0.000 1.451 182 I CB 1.598 39.680 38.000 0.137 0.000 1.251 182 I HN -0.272 7.930 8.210 -0.013 0.000 0.456 183 L N -3.893 117.352 121.223 0.037 0.000 2.408 183 L HA 0.266 4.653 4.340 0.078 0.000 0.268 183 L C -2.591 174.262 176.870 -0.028 0.000 0.986 183 L CA -0.894 53.978 54.840 0.054 0.000 0.820 183 L CB 4.020 46.157 42.059 0.131 0.000 1.303 183 L HN -0.827 7.395 8.230 -0.013 0.000 0.411 184 D N 0.973 121.369 120.400 -0.007 0.000 2.602 184 D HA 0.218 4.818 4.640 -0.066 0.000 0.245 184 D C -0.107 176.153 176.300 -0.067 0.000 1.325 184 D CA -0.640 53.341 54.000 -0.030 0.000 0.952 184 D CB 1.449 42.289 40.800 0.066 0.000 1.317 184 D HN 0.117 8.507 8.370 0.033 0.000 0.577 185 W N 6.678 127.595 121.300 -0.638 0.000 2.364 185 W HA -0.411 4.058 4.660 -0.318 0.000 0.281 185 W C 0.204 176.629 176.519 -0.156 0.000 1.219 185 W CA 3.124 60.207 57.345 -0.437 0.000 1.220 185 W CB 0.865 29.931 29.460 -0.656 0.000 1.127 185 W HN 0.154 7.793 8.180 -0.902 0.000 0.556 186 Q N -5.307 114.542 119.800 0.082 0.000 2.403 186 Q HA 0.013 4.542 4.340 0.004 -0.187 0.203 186 Q C -0.767 175.237 176.000 0.006 0.000 0.932 186 Q CA 0.637 56.476 55.803 0.059 0.000 0.945 186 Q CB 0.418 29.252 28.738 0.161 0.000 1.045 186 Q HN -0.673 7.929 8.270 0.169 -0.231 0.511 187 A N -0.890 121.931 122.820 0.001 0.000 3.399 187 A HA 0.170 4.574 4.320 0.002 -0.082 0.262 187 A C -1.716 175.901 177.584 0.055 0.000 1.145 187 A CA 0.078 52.123 52.037 0.013 0.000 0.916 187 A CB 1.121 20.127 19.000 0.010 0.000 1.360 187 A HN -0.346 7.645 8.150 0.003 0.161 0.628 188 L N 0.956 122.205 121.223 0.044 0.000 2.295 188 L HA 0.281 4.687 4.340 0.110 0.000 0.285 188 L C -1.588 175.396 176.870 0.189 0.000 1.035 188 L CA -0.920 53.982 54.840 0.104 0.000 0.806 188 L CB 3.420 45.474 42.059 -0.008 0.000 1.214 188 L HN -0.019 8.111 8.230 0.002 0.100 0.426 189 N N 6.328 125.116 118.700 0.147 0.000 2.437 189 N HA 0.153 4.787 4.740 -0.177 0.000 0.259 189 N C -1.784 173.747 175.510 0.035 0.000 0.983 189 N CA -0.944 52.079 53.050 -0.044 0.000 0.937 189 N CB 0.906 39.309 38.487 -0.139 0.000 1.122 189 N HN 0.376 8.844 8.380 0.147 0.000 0.499 190 Y N 0.813 121.075 120.300 -0.063 0.000 2.644 190 Y HA 0.923 5.611 4.550 -0.047 -0.166 0.338 190 Y C -1.634 174.218 175.900 -0.081 0.000 1.119 190 Y CA -2.443 55.631 58.100 -0.042 0.000 1.060 190 Y CB 2.954 41.444 38.460 0.050 0.000 1.294 190 Y HN -0.013 7.949 8.280 -0.531 0.000 0.472 191 E N 0.226 120.467 120.200 0.068 0.000 2.260 191 E HA 0.369 4.662 4.350 -0.094 0.000 0.266 191 E C -1.401 175.186 176.600 -0.022 0.000 0.887 191 E CA -1.288 55.092 56.400 -0.034 0.000 0.777 191 E CB 3.446 33.096 29.700 -0.084 0.000 1.205 191 E HN 0.103 8.533 8.360 0.117 0.000 0.414 192 I N 4.103 124.671 120.570 -0.002 0.000 2.441 192 I HA -0.069 3.970 4.170 -0.218 0.000 0.287 192 I C -0.033 175.979 176.117 -0.175 0.000 1.049 192 I CA 0.600 61.828 61.300 -0.120 0.000 1.381 192 I CB 0.681 38.656 38.000 -0.042 0.000 1.409 192 I HN 0.344 8.585 8.210 0.050 0.000 0.523 193 R N 7.093 127.408 120.500 -0.307 0.000 2.513 193 R HA 0.370 4.611 4.340 -0.165 0.000 0.301 193 R C -0.519 175.691 176.300 -0.150 0.000 0.968 193 R CA -2.356 53.570 56.100 -0.290 0.000 0.872 193 R CB 1.870 31.819 30.300 -0.586 0.000 1.177 193 R HN 0.511 8.551 8.270 -0.384 0.000 0.444 194 G N 3.783 112.569 108.800 -0.023 0.000 2.525 194 G HA2 -0.396 3.606 3.960 0.070 0.000 0.248 194 G HA3 -0.396 3.619 3.960 0.091 0.000 0.248 194 G C -1.399 173.569 174.900 0.114 0.000 1.238 194 G CA -0.059 45.079 45.100 0.063 0.000 0.926 194 G HN 0.290 8.569 8.290 -0.018 0.000 0.574 195 Y N 6.095 126.388 120.300 -0.012 0.000 2.650 195 Y HA 0.152 4.684 4.550 -0.030 0.000 0.343 195 Y C -1.722 174.142 175.900 -0.059 0.000 1.078 195 Y CA -1.879 56.208 58.100 -0.022 0.000 1.356 195 Y CB -0.701 37.760 38.460 0.002 0.000 1.204 195 Y HN -0.278 8.500 8.280 0.251 -0.347 0.508 196 V N 6.350 126.185 119.914 -0.132 0.000 2.686 196 V HA 0.661 4.652 4.120 -0.517 -0.181 0.306 196 V C -1.466 174.492 176.094 -0.227 0.000 1.065 196 V CA -1.856 60.221 62.300 -0.372 0.000 0.894 196 V CB 3.642 35.161 31.823 -0.506 0.000 1.004 196 V HN -0.654 7.523 8.190 -0.022 0.000 0.424 197 I N 6.219 126.643 120.570 -0.243 0.000 2.465 197 I HA 0.314 4.463 4.170 -0.036 0.000 0.291 197 I C -1.110 174.992 176.117 -0.026 0.000 1.014 197 I CA -2.427 58.817 61.300 -0.094 0.000 1.093 197 I CB 3.459 41.398 38.000 -0.101 0.000 1.267 197 I HN 0.380 8.394 8.210 -0.327 0.000 0.431 198 I N 6.920 127.500 120.570 0.018 0.000 2.371 198 I HA 0.471 4.849 4.170 -0.006 -0.211 0.290 198 I C -0.053 176.062 176.117 -0.004 0.000 1.028 198 I CA -0.095 61.203 61.300 -0.004 0.000 1.345 198 I CB 0.993 38.968 38.000 -0.043 0.000 1.407 198 I HN 0.279 8.504 8.210 0.026 0.000 0.501 199 K N 7.690 128.093 120.400 0.005 0.000 2.480 199 K HA 0.513 4.841 4.320 0.014 0.000 0.258 199 K C -3.281 173.329 176.600 0.017 0.000 0.990 199 K CA -3.840 52.460 56.287 0.022 0.000 0.857 199 K CB 1.900 34.432 32.500 0.054 0.000 1.384 199 K HN 0.034 8.289 8.250 0.009 0.000 0.446 200 P HA 0.017 4.578 4.420 -0.017 -0.151 0.269 200 P C -1.132 176.157 177.300 -0.018 0.000 1.209 200 P CA 0.067 63.164 63.100 -0.005 0.000 0.776 200 P CB 0.471 32.170 31.700 -0.001 0.000 0.876 201 L N 2.676 123.842 121.223 -0.095 0.000 2.369 201 L HA 0.003 4.149 4.340 -0.324 0.000 0.279 201 L C 0.252 176.973 176.870 -0.249 0.000 1.108 201 L CA 0.126 54.797 54.840 -0.282 0.000 0.852 201 L CB 0.522 42.354 42.059 -0.378 0.000 1.169 201 L HN -0.022 8.043 8.230 -0.085 0.114 0.452 202 V N 1.917 121.717 119.914 -0.190 0.000 3.528 202 V HA 0.234 4.327 4.120 -0.046 0.000 0.294 202 V C 0.205 176.335 176.094 0.061 0.000 1.404 202 V CA 0.402 62.692 62.300 -0.017 0.000 1.065 202 V CB 0.694 32.582 31.823 0.108 0.000 0.904 202 V HN 0.200 8.288 8.190 -0.169 0.000 0.435 203 W N -1.845 119.476 121.300 0.034 0.000 3.127 203 W HA 0.308 4.950 4.660 -0.030 0.000 0.344 203 W C -0.627 175.854 176.519 -0.064 0.000 1.151 203 W CA -0.767 56.559 57.345 -0.031 0.000 1.765 203 W CB -0.286 29.119 29.460 -0.091 0.000 1.085 203 W HN -0.241 7.606 8.180 -0.555 0.000 0.596 204 V N 0.000 119.831 119.914 -0.138 0.000 2.409 204 V HA 0.000 4.128 4.120 0.013 0.000 0.244 204 V CA 0.000 62.249 62.300 -0.086 0.000 1.235 204 V CB 0.000 31.704 31.823 -0.198 0.000 1.184 204 V HN 0.000 7.978 8.190 -0.353 0.000 0.556