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 3jqa_1_D DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVXQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVXXXXXXXX XGKTVETQVA ELIGTNAIAP FLLTMSFAQR QXXXXXXXXX DATA SEQUENCE SNLSIVNLCD AMVDQPXMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2 E C 0.000 176.535 176.600 -0.108 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 2 E CB 0.000 29.674 29.700 -0.044 0.000 0.812 3 A N 4.708 127.448 122.820 -0.132 0.000 2.401 3 A HA 0.556 4.877 4.320 0.001 0.000 0.259 3 A C -2.248 175.197 177.584 -0.232 0.000 1.103 3 A CA -0.956 50.956 52.037 -0.208 0.000 0.789 3 A CB 0.105 18.973 19.000 -0.219 0.000 1.035 3 A HN 0.353 8.503 8.150 -0.000 0.000 0.491 4 P HA 0.443 4.863 4.420 -0.000 0.000 0.274 4 P C -0.511 176.698 177.300 -0.152 0.000 1.256 4 P CA -0.102 62.846 63.100 -0.253 0.000 0.795 4 P CB 0.967 32.438 31.700 -0.382 0.000 1.038 5 A N -0.108 122.727 122.820 0.024 0.000 2.435 5 A HA 0.763 5.084 4.320 0.001 0.000 0.304 5 A C -1.095 176.594 177.584 0.175 0.000 1.064 5 A CA -0.602 51.450 52.037 0.026 0.000 0.727 5 A CB 1.512 20.484 19.000 -0.045 0.000 1.284 5 A HN 0.596 8.746 8.150 -0.000 0.000 0.415 6 A N 0.930 123.823 122.820 0.121 0.000 2.414 6 A HA 0.709 5.030 4.320 0.001 0.000 0.306 6 A C -1.073 176.562 177.584 0.084 0.000 1.054 6 A CA -0.469 51.598 52.037 0.050 0.000 0.724 6 A CB 1.450 20.354 19.000 -0.159 0.000 1.267 6 A HN 1.214 9.364 8.150 -0.000 0.000 0.418 7 V N 2.126 122.086 119.914 0.077 0.000 2.394 7 V HA 0.488 4.609 4.120 0.001 0.000 0.282 7 V C -0.443 175.671 176.094 0.033 0.000 1.031 7 V CA -0.347 62.005 62.300 0.087 0.000 0.881 7 V CB 1.435 33.318 31.823 0.099 0.000 0.982 7 V HN 0.642 8.832 8.190 -0.000 0.000 0.451 8 V N 4.194 124.144 119.914 0.061 0.000 2.444 8 V HA 0.439 4.559 4.120 0.001 0.000 0.294 8 V C 0.336 176.495 176.094 0.108 0.000 1.022 8 V CA -0.604 61.724 62.300 0.046 0.000 0.850 8 V CB 2.031 33.875 31.823 0.036 0.000 0.992 8 V HN 0.992 9.182 8.190 -0.000 0.000 0.426 9 T N 0.687 115.288 114.554 0.078 0.000 2.909 9 T HA 0.547 4.898 4.350 0.001 0.000 0.289 9 T C 0.997 175.848 174.700 0.250 0.000 1.005 9 T CA 0.315 62.512 62.100 0.162 0.000 1.084 9 T CB 1.367 70.189 68.868 -0.078 0.000 0.975 9 T HN 1.955 10.195 8.240 -0.000 0.000 0.509 10 G N 1.143 110.223 108.800 0.468 0.000 2.338 10 G HA2 -0.024 3.936 3.960 0.001 0.000 0.296 10 G HA3 -0.024 3.936 3.960 0.001 0.000 0.296 10 G C 0.674 175.662 174.900 0.147 0.000 1.040 10 G CA 0.016 45.263 45.100 0.246 0.000 1.004 10 G HN 1.534 9.824 8.290 -0.000 0.000 0.509 11 A N -0.937 121.970 122.820 0.144 0.000 2.275 11 A HA 0.704 5.024 4.320 0.001 0.000 0.212 11 A C 2.360 179.976 177.584 0.054 0.000 1.201 11 A CA 1.283 53.374 52.037 0.090 0.000 0.843 11 A CB -0.059 19.000 19.000 0.098 0.000 0.873 11 A HN 1.718 9.868 8.150 -0.000 0.000 0.492 12 A N -0.116 122.735 122.820 0.051 0.000 2.014 12 A HA 0.159 4.479 4.320 0.001 0.000 0.218 12 A C 1.068 178.648 177.584 -0.007 0.000 1.163 12 A CA 0.953 52.990 52.037 -0.001 0.000 0.652 12 A CB 0.062 19.043 19.000 -0.033 0.000 0.808 12 A HN 0.438 8.588 8.150 -0.000 0.000 0.449 13 K N -2.428 117.979 120.400 0.012 0.000 2.466 13 K HA 0.601 4.921 4.320 0.001 0.000 0.260 13 K C 0.025 176.629 176.600 0.006 0.000 1.011 13 K CA -1.009 55.281 56.287 0.004 0.000 0.871 13 K CB 2.005 34.510 32.500 0.007 0.000 1.404 13 K HN 0.242 8.492 8.250 -0.000 0.000 0.450 14 R N -0.353 120.145 120.500 -0.003 0.000 3.923 14 R HA -0.316 4.025 4.340 0.001 0.000 0.400 14 R C 1.493 177.787 176.300 -0.010 0.000 0.241 14 R CA 1.657 57.751 56.100 -0.009 0.000 1.284 14 R CB -1.525 28.768 30.300 -0.012 0.000 1.006 14 R HN 0.624 8.894 8.270 -0.000 0.000 0.559 15 I N 0.357 120.918 120.570 -0.015 0.000 2.286 15 I HA -0.135 4.036 4.170 0.001 0.000 0.245 15 I C 2.506 178.619 176.117 -0.006 0.000 1.104 15 I CA 1.678 62.967 61.300 -0.018 0.000 1.397 15 I CB -0.555 37.426 38.000 -0.031 0.000 1.072 15 I HN 0.748 8.958 8.210 -0.000 0.000 0.417 16 G N 0.609 109.413 108.800 0.006 0.000 2.442 16 G HA2 -0.288 3.673 3.960 0.001 0.000 0.219 16 G HA3 -0.288 3.673 3.960 0.001 0.000 0.219 16 G C 1.787 176.698 174.900 0.017 0.000 1.141 16 G CA 0.658 45.770 45.100 0.019 0.000 0.763 16 G HN 0.272 8.562 8.290 -0.000 0.000 0.554 17 R N 0.470 120.978 120.500 0.012 0.000 2.081 17 R HA 0.037 4.378 4.340 0.001 0.000 0.235 17 R C 2.877 179.177 176.300 0.001 0.000 1.131 17 R CA 1.418 57.521 56.100 0.005 0.000 0.960 17 R CB -0.372 29.926 30.300 -0.003 0.000 0.856 17 R HN 0.287 8.557 8.270 -0.000 0.000 0.436 18 A N 0.935 123.754 122.820 -0.002 0.000 1.933 18 A HA -0.127 4.194 4.320 0.001 0.000 0.218 18 A C 2.125 179.709 177.584 0.001 0.000 1.175 18 A CA 1.279 53.316 52.037 -0.001 0.000 0.628 18 A CB -0.437 18.559 19.000 -0.005 0.000 0.814 18 A HN 0.354 8.504 8.150 -0.000 0.000 0.444 19 I N -0.293 120.275 120.570 -0.005 0.000 2.179 19 I HA -0.276 3.895 4.170 0.001 0.000 0.242 19 I C 2.969 179.080 176.117 -0.011 0.000 1.088 19 I CA 1.070 62.362 61.300 -0.014 0.000 1.357 19 I CB -0.298 37.688 38.000 -0.023 0.000 1.051 19 I HN 0.352 8.562 8.210 -0.000 0.000 0.409 20 A N 0.276 123.098 122.820 0.002 0.000 1.902 20 A HA -0.149 4.171 4.320 0.001 0.000 0.217 20 A C 2.429 180.038 177.584 0.041 0.000 1.181 20 A CA 1.717 53.764 52.037 0.017 0.000 0.623 20 A CB -0.951 18.062 19.000 0.023 0.000 0.818 20 A HN 0.239 8.389 8.150 -0.000 0.000 0.443 21 V N 0.014 119.945 119.914 0.028 0.000 2.343 21 V HA -0.254 3.866 4.120 0.001 0.000 0.247 21 V C 2.504 178.648 176.094 0.083 0.000 1.051 21 V CA 2.340 64.666 62.300 0.045 0.000 1.036 21 V CB -0.578 31.256 31.823 0.018 0.000 0.654 21 V HN 0.525 8.715 8.190 -0.000 0.000 0.451 22 K N -0.520 119.911 120.400 0.051 0.000 2.103 22 K HA -0.034 4.287 4.320 0.001 0.000 0.204 22 K C 2.142 178.781 176.600 0.065 0.000 1.052 22 K CA 1.070 57.388 56.287 0.051 0.000 0.945 22 K CB -0.205 32.312 32.500 0.028 0.000 0.722 22 K HN 0.354 8.604 8.250 -0.000 0.000 0.443 23 L N 0.224 121.469 121.223 0.036 0.000 2.012 23 L HA -0.256 4.085 4.340 0.001 0.000 0.210 23 L C 2.719 179.692 176.870 0.173 0.000 1.073 23 L CA 1.376 56.227 54.840 0.019 0.000 0.748 23 L CB -0.666 41.297 42.059 -0.159 0.000 0.891 23 L HN 0.398 8.628 8.230 -0.000 0.000 0.431 24 H N 0.436 119.542 119.070 0.059 0.000 2.319 24 H HA -0.203 4.353 4.556 0.001 0.000 0.299 24 H C 2.202 177.560 175.328 0.050 0.000 1.092 24 H CA 2.032 58.114 56.048 0.057 0.000 1.302 24 H CB 0.132 29.911 29.762 0.027 0.000 1.373 24 H HN 0.440 8.720 8.280 -0.000 0.000 0.497 25 Q N -0.540 119.340 119.800 0.133 0.000 2.234 25 Q HA -0.098 4.242 4.340 0.001 0.000 0.206 25 Q C 1.945 177.958 176.000 0.021 0.000 0.980 25 Q CA 1.862 57.705 55.803 0.065 0.000 0.869 25 Q CB 0.107 28.893 28.738 0.080 0.000 0.912 25 Q HN 0.431 8.701 8.270 -0.000 0.000 0.436 26 T N -1.512 113.078 114.554 0.060 0.000 3.088 26 T HA 0.111 4.461 4.350 0.001 0.000 0.259 26 T C 1.113 175.813 174.700 -0.000 0.000 1.122 26 T CA 0.865 63.007 62.100 0.070 0.000 1.095 26 T CB 0.392 69.364 68.868 0.172 0.000 0.930 26 T HN 0.582 8.822 8.240 -0.000 0.000 0.508 27 G N 0.016 108.777 108.800 -0.064 0.000 2.227 27 G HA2 -0.162 3.799 3.960 0.001 0.000 0.168 27 G HA3 -0.162 3.799 3.960 0.001 0.000 0.168 27 G C -0.148 174.594 174.900 -0.263 0.000 1.006 27 G CA -0.826 44.156 45.100 -0.197 0.000 0.684 27 G HN 0.464 8.754 8.290 -0.000 0.000 0.489 28 Y N 1.672 121.860 120.300 -0.185 0.000 2.346 28 Y HA 0.590 5.141 4.550 0.001 0.000 0.330 28 Y C 1.483 177.235 175.900 -0.246 0.000 1.178 28 Y CA -0.187 57.804 58.100 -0.182 0.000 1.331 28 Y CB 0.577 38.974 38.460 -0.105 0.000 1.253 28 Y HN 0.084 8.364 8.280 -0.000 0.000 0.529 29 R N 1.819 122.185 120.500 -0.224 0.000 2.490 29 R HA 0.534 4.875 4.340 0.001 0.000 0.278 29 R C -1.027 175.084 176.300 -0.315 0.000 1.069 29 R CA -0.749 55.055 56.100 -0.494 0.000 1.080 29 R CB 0.790 30.328 30.300 -1.270 0.000 1.030 29 R HN 0.515 8.785 8.270 -0.000 0.000 0.491 30 V N -0.792 119.070 119.914 -0.087 0.000 2.709 30 V HA 0.485 4.605 4.120 0.001 0.000 0.308 30 V C -0.303 175.992 176.094 0.334 0.000 1.062 30 V CA -1.039 61.342 62.300 0.136 0.000 0.901 30 V CB 2.025 33.927 31.823 0.132 0.000 1.003 30 V HN 0.395 8.585 8.190 -0.000 0.000 0.425 31 V N 5.734 125.838 119.914 0.316 0.000 2.406 31 V HA 0.422 4.542 4.120 0.001 0.000 0.272 31 V C 0.213 176.423 176.094 0.193 0.000 1.043 31 V CA -0.141 62.316 62.300 0.262 0.000 0.915 31 V CB 1.156 33.114 31.823 0.225 0.000 0.988 31 V HN 0.797 8.987 8.190 -0.000 0.000 0.466 32 I N 5.847 126.527 120.570 0.183 0.000 2.276 32 I HA 0.230 4.401 4.170 0.001 0.000 0.290 32 I C 0.569 176.824 176.117 0.229 0.000 1.109 32 I CA -0.167 61.234 61.300 0.169 0.000 1.229 32 I CB 0.008 38.080 38.000 0.119 0.000 1.452 32 I HN 0.671 8.881 8.210 -0.000 0.000 0.497 33 H N 7.840 126.997 119.070 0.145 0.000 2.629 33 H HA 0.275 4.831 4.556 0.001 0.000 0.357 33 H C -1.422 174.034 175.328 0.213 0.000 1.121 33 H CA 0.055 56.179 56.048 0.128 0.000 1.406 33 H CB 1.104 30.900 29.762 0.057 0.000 1.456 33 H HN 0.561 8.841 8.280 -0.000 0.000 0.579 34 Y N 1.867 121.603 120.300 -0.939 0.000 2.670 34 Y HA 0.260 4.811 4.550 0.001 0.000 0.334 34 Y C 0.030 175.626 175.900 -0.508 0.000 1.185 34 Y CA -0.901 56.847 58.100 -0.585 0.000 1.053 34 Y CB 1.109 39.442 38.460 -0.212 0.000 1.298 34 Y HN 0.702 8.982 8.280 -0.000 0.000 0.459 35 H N 0.093 119.058 119.070 -0.176 0.000 2.302 35 H HA 0.274 4.830 4.556 0.001 0.000 0.252 35 H C 0.069 175.442 175.328 0.074 0.000 1.017 35 H CA 0.383 56.369 56.048 -0.104 0.000 1.404 35 H CB 0.635 30.412 29.762 0.025 0.000 1.394 35 H HN 0.719 8.999 8.280 -0.000 0.000 0.560 36 N N 0.481 119.131 118.700 -0.083 0.000 2.388 36 N HA 0.027 4.767 4.740 0.001 0.000 0.176 36 N C 0.103 175.645 175.510 0.053 0.000 1.062 36 N CA 0.265 53.250 53.050 -0.109 0.000 0.895 36 N CB 0.655 39.031 38.487 -0.186 0.000 1.018 36 N HN 0.044 8.424 8.380 -0.000 0.000 0.456 37 S N 1.233 116.998 115.700 0.107 0.000 4.120 37 S HA 0.328 4.799 4.470 0.001 0.000 0.196 37 S C 1.314 175.760 174.600 -0.257 0.000 1.447 37 S CA -0.379 57.804 58.200 -0.029 0.000 0.939 37 S CB 0.333 63.524 63.200 -0.015 0.000 1.496 37 S HN 0.307 8.617 8.310 -0.000 0.000 0.460 38 A N 2.045 124.703 122.820 -0.270 0.000 1.898 38 A HA -0.110 4.211 4.320 0.001 0.000 0.216 38 A C 2.003 179.333 177.584 -0.423 0.000 1.181 38 A CA 1.063 52.757 52.037 -0.570 0.000 0.620 38 A CB -0.275 18.641 19.000 -0.140 0.000 0.819 38 A HN 0.609 8.759 8.150 -0.000 0.000 0.442 39 E N -0.250 119.816 120.200 -0.224 0.000 2.110 39 E HA -0.098 4.253 4.350 0.001 0.000 0.193 39 E C 2.271 178.775 176.600 -0.160 0.000 0.988 39 E CA 0.917 57.223 56.400 -0.156 0.000 0.804 39 E CB -0.257 29.386 29.700 -0.095 0.000 0.745 39 E HN 0.619 8.979 8.360 -0.000 0.000 0.458 40 A N 1.436 124.156 122.820 -0.166 0.000 1.929 40 A HA -0.014 4.307 4.320 0.001 0.000 0.216 40 A C 2.367 179.854 177.584 -0.163 0.000 1.176 40 A CA 1.405 53.363 52.037 -0.132 0.000 0.628 40 A CB -0.475 18.468 19.000 -0.095 0.000 0.816 40 A HN 0.276 8.426 8.150 -0.000 0.000 0.444 41 A N -0.427 122.225 122.820 -0.281 0.000 1.877 41 A HA -0.023 4.298 4.320 0.001 0.000 0.216 41 A C 2.205 179.672 177.584 -0.195 0.000 1.186 41 A CA 1.844 53.714 52.037 -0.279 0.000 0.620 41 A CB -0.991 17.650 19.000 -0.598 0.000 0.822 41 A HN 0.394 8.544 8.150 -0.000 0.000 0.443 42 V N -0.283 119.495 119.914 -0.228 0.000 2.407 42 V HA -0.198 3.923 4.120 0.001 0.000 0.248 42 V C 2.801 178.843 176.094 -0.087 0.000 1.055 42 V CA 2.222 64.445 62.300 -0.128 0.000 1.049 42 V CB -0.694 31.058 31.823 -0.120 0.000 0.662 42 V HN 0.675 8.865 8.190 -0.000 0.000 0.455 43 S N -0.167 115.477 115.700 -0.094 0.000 2.368 43 S HA -0.191 4.280 4.470 0.001 0.000 0.225 43 S C 1.937 176.500 174.600 -0.062 0.000 1.030 43 S CA 1.940 60.099 58.200 -0.068 0.000 0.999 43 S CB -0.288 62.872 63.200 -0.067 0.000 0.844 43 S HN 0.432 8.742 8.310 -0.000 0.000 0.459 44 L N 1.896 123.078 121.223 -0.069 0.000 2.027 44 L HA 0.194 4.535 4.340 0.001 0.000 0.206 44 L C 2.547 179.375 176.870 -0.069 0.000 1.074 44 L CA 2.125 56.926 54.840 -0.065 0.000 0.745 44 L CB -1.363 40.663 42.059 -0.056 0.000 0.898 44 L HN 0.310 8.540 8.230 -0.000 0.000 0.433 45 A N -0.650 122.140 122.820 -0.050 0.000 1.940 45 A HA -0.250 4.070 4.320 0.001 0.000 0.219 45 A C 1.948 179.513 177.584 -0.033 0.000 1.176 45 A CA 2.068 54.089 52.037 -0.028 0.000 0.631 45 A CB -0.899 18.104 19.000 0.006 0.000 0.814 45 A HN 0.561 8.711 8.150 -0.000 0.000 0.446 46 D N -0.424 119.956 120.400 -0.034 0.000 2.117 46 D HA -0.099 4.541 4.640 0.001 0.000 0.198 46 D C 1.959 178.239 176.300 -0.033 0.000 0.982 46 D CA 1.305 55.290 54.000 -0.025 0.000 0.828 46 D CB -0.415 40.370 40.800 -0.025 0.000 0.967 46 D HN 0.625 8.995 8.370 -0.000 0.000 0.464 47 E N 0.171 120.342 120.200 -0.049 0.000 2.058 47 E HA -0.126 4.224 4.350 0.001 0.000 0.194 47 E C 2.327 178.877 176.600 -0.083 0.000 0.997 47 E CA 0.576 56.944 56.400 -0.054 0.000 0.801 47 E CB -0.082 29.582 29.700 -0.059 0.000 0.746 47 E HN 0.275 8.635 8.360 -0.000 0.000 0.450 48 L N 1.073 122.198 121.223 -0.163 0.000 2.056 48 L HA -0.167 4.174 4.340 0.001 0.000 0.207 48 L C 2.143 178.942 176.870 -0.118 0.000 1.078 48 L CA 0.723 55.349 54.840 -0.355 0.000 0.749 48 L CB -0.485 41.182 42.059 -0.652 0.000 0.901 48 L HN 0.121 8.351 8.230 -0.000 0.000 0.433 49 N N 0.448 119.129 118.700 -0.032 0.000 2.223 49 N HA -0.156 4.585 4.740 0.001 0.000 0.185 49 N C 1.735 177.274 175.510 0.049 0.000 1.016 49 N CA 1.067 54.147 53.050 0.050 0.000 0.863 49 N CB -0.087 38.429 38.487 0.049 0.000 0.983 49 N HN 0.348 8.728 8.380 -0.000 0.000 0.429 50 K N 0.619 121.032 120.400 0.023 0.000 2.152 50 K HA -0.158 4.163 4.320 0.001 0.000 0.206 50 K C 1.760 178.385 176.600 0.042 0.000 1.048 50 K CA 1.037 57.339 56.287 0.025 0.000 0.933 50 K CB 0.052 32.558 32.500 0.009 0.000 0.721 50 K HN 0.076 8.326 8.250 -0.000 0.000 0.447 51 E N 0.463 120.701 120.200 0.064 0.000 2.076 51 E HA 0.007 4.358 4.350 0.001 0.000 0.190 51 E C -0.144 176.522 176.600 0.110 0.000 0.979 51 E CA 0.997 57.455 56.400 0.097 0.000 0.807 51 E CB 0.444 30.233 29.700 0.149 0.000 0.761 51 E HN -0.006 8.354 8.360 -0.000 0.000 0.454 52 R N 0.120 120.712 120.500 0.152 0.000 2.510 52 R HA 0.290 4.630 4.340 0.001 0.000 0.294 52 R C -1.056 175.310 176.300 0.110 0.000 1.056 52 R CA -0.268 55.893 56.100 0.103 0.000 0.918 52 R CB 1.916 32.251 30.300 0.057 0.000 1.187 52 R HN 0.102 8.372 8.270 -0.000 0.000 0.437 53 S N 2.698 118.442 115.700 0.074 0.000 2.560 53 S HA 0.059 4.529 4.470 0.001 0.000 0.284 53 S C 0.454 175.112 174.600 0.097 0.000 1.327 53 S CA -0.479 57.766 58.200 0.076 0.000 1.055 53 S CB 0.460 63.692 63.200 0.053 0.000 0.868 53 S HN 0.764 9.074 8.310 -0.000 0.000 0.506 54 N N 0.168 118.939 118.700 0.119 0.000 2.758 54 N HA -0.139 4.601 4.740 0.001 0.000 0.248 54 N C 0.453 176.116 175.510 0.255 0.000 1.076 54 N CA 1.335 54.487 53.050 0.170 0.000 0.696 54 N CB -2.022 36.548 38.487 0.138 0.000 0.979 54 N HN 1.047 9.427 8.380 -0.000 0.000 0.550 55 T N -4.299 110.400 114.554 0.241 0.000 3.091 55 T HA 0.624 4.975 4.350 0.001 0.000 0.277 55 T C 0.310 175.165 174.700 0.258 0.000 0.996 55 T CA 0.366 62.578 62.100 0.187 0.000 0.897 55 T CB 0.897 69.883 68.868 0.196 0.000 1.109 55 T HN 0.518 8.758 8.240 -0.000 0.000 0.534 56 A N 1.224 124.253 122.820 0.348 0.000 2.459 56 A HA 0.799 5.119 4.320 0.001 0.000 0.296 56 A C -0.706 177.040 177.584 0.269 0.000 1.039 56 A CA -0.697 51.518 52.037 0.297 0.000 0.698 56 A CB 1.735 20.793 19.000 0.096 0.000 1.261 56 A HN 1.019 9.169 8.150 -0.000 0.000 0.405 57 V N 0.302 120.370 119.914 0.256 0.000 3.130 57 V HA 0.950 5.071 4.120 0.001 0.000 0.310 57 V C 0.069 176.242 176.094 0.133 0.000 1.158 57 V CA -0.252 62.124 62.300 0.126 0.000 1.029 57 V CB 1.068 32.895 31.823 0.008 0.000 1.057 57 V HN 1.884 10.074 8.190 -0.000 0.000 0.436 61 A N 2.921 125.674 122.820 -0.111 0.000 2.565 61 A HA 0.466 4.787 4.320 0.001 0.000 0.298 61 A C -1.705 175.965 177.584 0.143 0.000 1.062 61 A CA -0.621 51.471 52.037 0.092 0.000 0.723 61 A CB 1.490 20.568 19.000 0.130 0.000 1.282 61 A HN 0.558 8.708 8.150 -0.000 0.000 0.400 62 D N 1.861 122.273 120.400 0.020 0.000 2.312 62 D HA 0.391 5.032 4.640 0.001 0.000 0.252 62 D C 0.383 176.603 176.300 -0.133 0.000 1.150 62 D CA 0.013 53.877 54.000 -0.226 0.000 0.870 62 D CB 0.802 41.527 40.800 -0.126 0.000 1.153 62 D HN 0.408 8.778 8.370 -0.000 0.000 0.457 63 L N 2.966 124.090 121.223 -0.165 0.000 2.741 63 L HA 0.135 4.475 4.340 0.001 0.000 0.237 63 L C 0.715 177.546 176.870 -0.064 0.000 1.178 63 L CA -0.180 54.606 54.840 -0.091 0.000 0.973 63 L CB 0.057 42.065 42.059 -0.085 0.000 1.255 63 L HN 0.271 8.501 8.230 -0.000 0.000 0.498 64 T N 0.537 115.046 114.554 -0.076 0.000 2.932 64 T HA -0.038 4.313 4.350 0.001 0.000 0.312 64 T C 0.431 175.126 174.700 -0.009 0.000 1.071 64 T CA -0.026 62.059 62.100 -0.026 0.000 1.128 64 T CB 0.555 69.415 68.868 -0.013 0.000 0.984 64 T HN 0.118 8.358 8.240 -0.000 0.000 0.549 65 N N 1.667 120.370 118.700 0.005 0.000 2.492 65 N HA 0.310 5.050 4.740 0.001 0.000 0.262 65 N C -0.415 175.101 175.510 0.011 0.000 1.202 65 N CA 0.236 53.291 53.050 0.009 0.000 0.926 65 N CB 0.301 38.794 38.487 0.010 0.000 1.078 65 N HN 0.818 9.198 8.380 -0.000 0.000 0.454 66 S N 1.287 116.994 115.700 0.012 0.000 2.643 66 S HA 0.247 4.718 4.470 0.001 0.000 0.266 66 S C 0.013 174.621 174.600 0.013 0.000 1.130 66 S CA -0.980 57.227 58.200 0.012 0.000 0.817 66 S CB 0.135 63.341 63.200 0.011 0.000 1.107 66 S HN 0.600 8.910 8.310 -0.000 0.000 0.471 67 N N -0.293 118.414 118.700 0.012 0.000 2.520 67 N HA 0.012 4.753 4.740 0.001 0.000 0.185 67 N C 0.975 176.492 175.510 0.012 0.000 1.068 67 N CA 0.994 54.052 53.050 0.013 0.000 0.911 67 N CB -0.155 38.338 38.487 0.010 0.000 0.961 67 N HN 0.422 8.802 8.380 -0.000 0.000 0.446 68 V N 0.315 120.235 119.914 0.010 0.000 3.660 68 V HA 0.026 4.146 4.120 0.001 0.000 0.276 68 V C 1.712 177.810 176.094 0.006 0.000 1.317 68 V CA 0.221 62.526 62.300 0.008 0.000 1.097 68 V CB 0.062 31.890 31.823 0.008 0.000 0.863 68 V HN 0.226 8.416 8.190 -0.000 0.000 0.438 69 L N 1.882 123.110 121.223 0.008 0.000 2.042 69 L HA -0.030 4.311 4.340 0.001 0.000 0.210 69 L C -0.187 176.686 176.870 0.004 0.000 1.076 69 L CA 2.518 57.361 54.840 0.004 0.000 0.749 69 L CB -1.420 40.645 42.059 0.010 0.000 0.893 69 L HN 0.255 8.485 8.230 -0.000 0.000 0.432 70 P HA -0.168 4.253 4.420 -0.000 0.000 0.215 70 P C 1.584 178.879 177.300 -0.008 0.000 1.153 70 P CA 2.046 65.150 63.100 0.005 0.000 0.853 70 P CB -0.207 31.502 31.700 0.015 0.000 0.788 71 A N -0.658 122.160 122.820 -0.004 0.000 1.902 71 A HA -0.187 4.134 4.320 0.001 0.000 0.217 71 A C 2.376 179.956 177.584 -0.007 0.000 1.181 71 A CA 2.243 54.276 52.037 -0.007 0.000 0.623 71 A CB -1.582 17.417 19.000 -0.003 0.000 0.818 71 A HN 0.122 8.272 8.150 -0.000 0.000 0.443 72 S N -0.855 114.841 115.700 -0.006 0.000 2.370 72 S HA -0.211 4.260 4.470 0.001 0.000 0.226 72 S C 1.955 176.545 174.600 -0.016 0.000 1.033 72 S CA 1.514 59.709 58.200 -0.008 0.000 1.011 72 S CB -0.705 62.489 63.200 -0.010 0.000 0.852 72 S HN 0.726 9.036 8.310 -0.000 0.000 0.457 73 C N 1.534 120.819 119.300 -0.024 0.000 2.446 73 C HA -0.015 4.445 4.460 0.001 0.000 0.277 73 C C 2.595 177.576 174.990 -0.015 0.000 1.275 73 C CA 0.314 59.312 59.018 -0.033 0.000 1.727 73 C CB -1.254 26.461 27.740 -0.041 0.000 2.010 73 C HN 0.626 8.856 8.230 -0.000 0.000 0.486 74 E N 0.708 120.899 120.200 -0.015 0.000 2.085 74 E HA -0.265 4.086 4.350 0.001 0.000 0.194 74 E C 2.064 178.669 176.600 0.007 0.000 0.994 74 E CA 1.480 57.873 56.400 -0.011 0.000 0.801 74 E CB -0.181 29.505 29.700 -0.024 0.000 0.743 74 E HN 0.554 8.914 8.360 -0.000 0.000 0.453 75 E N 0.961 121.165 120.200 0.007 0.000 2.106 75 E HA -0.141 4.209 4.350 0.001 0.000 0.192 75 E C 1.766 178.389 176.600 0.038 0.000 0.984 75 E CA 0.878 57.289 56.400 0.018 0.000 0.806 75 E CB -0.149 29.558 29.700 0.011 0.000 0.750 75 E HN 0.261 8.621 8.360 -0.000 0.000 0.458 76 I N 0.202 120.793 120.570 0.035 0.000 2.179 76 I HA -0.256 3.915 4.170 0.001 0.000 0.242 76 I C 1.857 178.029 176.117 0.092 0.000 1.088 76 I CA 0.626 61.957 61.300 0.052 0.000 1.357 76 I CB -0.255 37.749 38.000 0.007 0.000 1.051 76 I HN 0.185 8.395 8.210 -0.000 0.000 0.409 77 I N 0.823 121.457 120.570 0.108 0.000 2.179 77 I HA -0.265 3.905 4.170 0.001 0.000 0.242 77 I C 2.208 178.478 176.117 0.255 0.000 1.088 77 I CA 1.531 62.948 61.300 0.195 0.000 1.357 77 I CB -1.796 36.323 38.000 0.198 0.000 1.051 77 I HN 0.304 8.514 8.210 -0.000 0.000 0.409 78 N N 1.026 119.820 118.700 0.157 0.000 2.137 78 N HA -0.157 4.584 4.740 0.001 0.000 0.190 78 N C 1.994 177.587 175.510 0.140 0.000 1.017 78 N CA 1.505 54.638 53.050 0.139 0.000 0.859 78 N CB -0.416 38.098 38.487 0.044 0.000 1.002 78 N HN 0.272 8.652 8.380 -0.000 0.000 0.428 79 S N -0.149 115.607 115.700 0.092 0.000 2.399 79 S HA -0.111 4.360 4.470 0.001 0.000 0.231 79 S C 2.217 176.818 174.600 0.002 0.000 1.022 79 S CA 0.626 58.848 58.200 0.037 0.000 0.983 79 S CB -0.426 62.796 63.200 0.036 0.000 0.803 79 S HN 0.522 8.832 8.310 -0.000 0.000 0.480 80 C N 0.763 120.107 119.300 0.072 0.000 2.446 80 C HA -0.007 4.453 4.460 0.001 0.000 0.277 80 C C 2.226 177.196 174.990 -0.034 0.000 1.275 80 C CA 0.449 59.495 59.018 0.046 0.000 1.727 80 C CB -1.586 26.204 27.740 0.084 0.000 2.010 80 C HN 0.585 8.815 8.230 -0.000 0.000 0.486 81 F N 0.793 120.756 119.950 0.023 0.000 2.186 81 F HA -0.028 4.500 4.527 0.001 0.000 0.299 81 F C 2.616 178.398 175.800 -0.030 0.000 1.090 81 F CA 1.873 59.879 58.000 0.009 0.000 1.307 81 F CB -0.527 38.466 39.000 -0.011 0.000 1.019 81 F HN 0.171 8.471 8.300 -0.000 0.000 0.489 82 R N 0.303 120.864 120.500 0.102 0.000 2.073 82 R HA -0.131 4.210 4.340 0.001 0.000 0.234 82 R C 2.340 178.578 176.300 -0.103 0.000 1.134 82 R CA 1.431 57.535 56.100 0.007 0.000 0.952 82 R CB -0.490 29.804 30.300 -0.010 0.000 0.850 82 R HN 0.235 8.505 8.270 -0.000 0.000 0.433 83 A N -0.579 122.070 122.820 -0.284 0.000 1.897 83 A HA -0.036 4.284 4.320 0.001 0.000 0.215 83 A C 1.551 178.828 177.584 -0.512 0.000 1.181 83 A CA 1.069 52.751 52.037 -0.590 0.000 0.620 83 A CB -0.203 18.093 19.000 -1.173 0.000 0.821 83 A HN 0.442 8.592 8.150 -0.000 0.000 0.443 84 F N -2.329 117.619 119.950 -0.003 0.000 2.767 84 F HA 0.384 4.912 4.527 0.001 0.000 0.323 84 F C 1.712 177.482 175.800 -0.050 0.000 1.091 84 F CA 0.306 58.288 58.000 -0.030 0.000 1.192 84 F CB 0.724 39.694 39.000 -0.050 0.000 1.056 84 F HN 0.358 8.658 8.300 -0.000 0.000 0.571 85 G N 2.112 110.969 108.800 0.095 0.000 2.162 85 G HA2 -0.295 3.666 3.960 0.001 0.000 0.260 85 G HA3 -0.295 3.666 3.960 0.001 0.000 0.260 85 G C 0.173 175.085 174.900 0.020 0.000 0.976 85 G CA 0.437 45.600 45.100 0.104 0.000 0.655 85 G HN 0.537 8.827 8.290 -0.000 0.000 0.533 86 R N -2.351 117.983 120.500 -0.276 0.000 2.712 86 R HA 0.657 4.997 4.340 0.001 0.000 0.272 86 R C -1.578 174.233 176.300 -0.814 0.000 1.032 86 R CA -0.427 55.337 56.100 -0.559 0.000 0.874 86 R CB 0.875 31.072 30.300 -0.173 0.000 1.256 86 R HN 0.738 9.008 8.270 -0.000 0.000 0.468 87 C N 1.623 120.458 119.300 -0.775 0.000 2.679 87 C HA 0.408 4.868 4.460 0.001 0.000 0.354 87 C C -0.419 174.530 174.990 -0.068 0.000 1.067 87 C CA -0.305 58.493 59.018 -0.368 0.000 1.317 87 C CB 0.518 28.019 27.740 -0.399 0.000 1.843 87 C HN 1.031 9.261 8.230 -0.000 0.000 0.459 88 D N 2.097 122.576 120.400 0.132 0.000 2.379 88 D HA 0.227 4.867 4.640 0.001 0.000 0.218 88 D C -0.020 176.519 176.300 0.398 0.000 1.006 88 D CA 0.650 54.794 54.000 0.239 0.000 0.893 88 D CB 0.628 41.545 40.800 0.194 0.000 1.019 88 D HN 0.365 8.735 8.370 -0.000 0.000 0.503 89 V N 1.321 121.418 119.914 0.305 0.000 2.686 89 V HA 0.405 4.525 4.120 0.001 0.000 0.306 89 V C -1.513 174.559 176.094 -0.037 0.000 1.065 89 V CA -0.964 61.373 62.300 0.061 0.000 0.894 89 V CB 2.580 34.340 31.823 -0.105 0.000 1.004 89 V HN -0.035 8.155 8.190 -0.000 0.000 0.424 90 L N 6.356 127.395 121.223 -0.308 0.000 2.325 90 L HA 0.770 5.111 4.340 0.001 0.000 0.281 90 L C -0.833 175.901 176.870 -0.226 0.000 1.004 90 L CA -0.095 54.575 54.840 -0.283 0.000 0.823 90 L CB 1.861 43.622 42.059 -0.496 0.000 1.236 90 L HN 0.422 8.652 8.230 -0.000 0.000 0.415 91 V N 5.111 124.942 119.914 -0.138 0.000 2.357 91 V HA 0.468 4.588 4.120 0.001 0.000 0.284 91 V C -0.238 175.807 176.094 -0.082 0.000 1.018 91 V CA -0.696 61.537 62.300 -0.112 0.000 0.841 91 V CB 1.282 33.051 31.823 -0.090 0.000 0.991 91 V HN 0.711 8.901 8.190 -0.000 0.000 0.437 92 N N 3.984 122.632 118.700 -0.086 0.000 2.645 92 N HA 0.163 4.903 4.740 0.001 0.000 0.233 92 N C 0.628 176.114 175.510 -0.040 0.000 1.058 92 N CA 0.064 53.074 53.050 -0.067 0.000 0.942 92 N CB 1.059 39.502 38.487 -0.072 0.000 1.210 92 N HN 0.815 9.195 8.380 -0.000 0.000 0.512 93 N N 1.264 119.954 118.700 -0.016 0.000 2.460 93 N HA 0.081 4.822 4.740 0.001 0.000 0.193 93 N C 0.223 175.752 175.510 0.032 0.000 1.080 93 N CA -0.184 52.868 53.050 0.004 0.000 0.869 93 N CB 0.312 38.805 38.487 0.011 0.000 1.201 93 N HN 0.363 8.743 8.380 -0.000 0.000 0.457 94 A N 0.280 123.133 122.820 0.055 0.000 2.561 94 A HA 0.406 4.727 4.320 0.001 0.000 0.234 94 A C 0.047 177.678 177.584 0.078 0.000 1.055 94 A CA 0.490 52.584 52.037 0.094 0.000 0.756 94 A CB -0.091 18.985 19.000 0.128 0.000 0.986 94 A HN 0.310 8.460 8.150 -0.000 0.000 0.505 95 S N 0.541 116.307 115.700 0.110 0.000 2.582 95 S HA 0.567 5.037 4.470 0.001 0.000 0.287 95 S C -0.548 174.160 174.600 0.181 0.000 1.146 95 S CA 0.039 58.321 58.200 0.136 0.000 0.941 95 S CB 0.743 64.030 63.200 0.146 0.000 1.115 95 S HN 2.047 10.357 8.310 -0.000 0.000 0.458 96 A N 3.453 126.383 122.820 0.183 0.000 2.316 96 A HA 0.840 5.161 4.320 0.001 0.000 0.284 96 A C -0.770 176.955 177.584 0.236 0.000 1.115 96 A CA -0.391 51.763 52.037 0.194 0.000 0.812 96 A CB 0.232 19.304 19.000 0.119 0.000 1.064 96 A HN 1.366 9.516 8.150 -0.000 0.000 0.489 97 F N 3.194 123.142 119.950 -0.003 0.000 2.787 97 F HA 0.569 5.097 4.527 0.000 0.000 0.340 97 F C -1.521 174.323 175.800 0.073 0.000 1.232 97 F CA -0.484 57.452 58.000 -0.107 0.000 1.051 97 F CB 1.122 40.002 39.000 -0.201 0.000 1.330 97 F HN 0.784 9.084 8.300 -0.000 0.000 0.522 98 Y N 4.055 124.129 120.300 -0.377 0.000 2.687 98 Y HA 0.664 5.215 4.550 0.001 0.000 0.338 98 Y C -3.298 172.104 175.900 -0.830 0.000 1.189 98 Y CA -2.795 55.028 58.100 -0.462 0.000 1.097 98 Y CB 0.442 38.770 38.460 -0.220 0.000 1.342 98 Y HN 0.255 8.535 8.280 -0.000 0.000 0.461 99 P HA 0.304 4.724 4.420 -0.000 0.000 0.277 99 P C -0.485 176.583 177.300 -0.387 0.000 1.240 99 P CA -0.201 62.186 63.100 -1.188 0.000 0.798 99 P CB 1.517 32.632 31.700 -0.976 0.000 0.979 100 T N -1.814 112.551 114.554 -0.315 0.000 3.296 100 T HA 0.355 4.705 4.350 0.001 0.000 0.333 100 T C -2.689 171.955 174.700 -0.092 0.000 1.280 100 T CA -2.011 60.021 62.100 -0.113 0.000 1.558 100 T CB 0.089 68.925 68.868 -0.053 0.000 0.929 100 T HN 0.177 8.417 8.240 -0.000 0.000 0.596 101 P HA 0.252 4.672 4.420 -0.000 0.000 0.268 101 P C 0.917 178.203 177.300 -0.023 0.000 1.205 101 P CA -0.558 62.513 63.100 -0.048 0.000 0.771 101 P CB 1.211 32.885 31.700 -0.043 0.000 0.858 102 L N 1.467 122.685 121.223 -0.009 0.000 2.217 102 L HA -0.002 4.338 4.340 0.001 0.000 0.211 102 L C 1.128 177.997 176.870 -0.003 0.000 1.107 102 L CA 0.954 55.792 54.840 -0.003 0.000 0.783 102 L CB -0.125 41.937 42.059 0.005 0.000 0.919 102 L HN 0.179 8.409 8.230 -0.000 0.000 0.442 114 K N 1.939 122.295 120.400 -0.074 0.000 2.270 114 K HA 0.460 4.781 4.320 0.001 0.000 0.276 114 K C 0.957 177.544 176.600 -0.021 0.000 1.023 114 K CA -0.002 56.256 56.287 -0.049 0.000 0.955 114 K CB 1.013 33.471 32.500 -0.068 0.000 0.975 114 K HN 0.266 8.516 8.250 -0.000 0.000 0.471 115 T N -1.450 113.101 114.554 -0.004 0.000 2.856 115 T HA -0.016 4.334 4.350 0.001 0.000 0.306 115 T C 1.266 175.977 174.700 0.018 0.000 1.062 115 T CA -0.787 61.316 62.100 0.004 0.000 1.083 115 T CB 1.174 70.046 68.868 0.007 0.000 0.984 115 T HN 0.321 8.561 8.240 -0.000 0.000 0.542 116 V N 1.543 121.466 119.914 0.016 0.000 2.490 116 V HA -0.133 3.987 4.120 0.001 0.000 0.250 116 V C 2.424 178.535 176.094 0.029 0.000 1.061 116 V CA 2.267 64.581 62.300 0.024 0.000 1.064 116 V CB -1.018 30.812 31.823 0.013 0.000 0.670 116 V HN 0.990 9.180 8.190 -0.000 0.000 0.461 117 E N -0.078 120.136 120.200 0.022 0.000 2.097 117 E HA -0.203 4.148 4.350 0.001 0.000 0.196 117 E C 2.258 178.879 176.600 0.034 0.000 1.000 117 E CA 2.202 58.615 56.400 0.022 0.000 0.804 117 E CB -0.600 29.110 29.700 0.016 0.000 0.740 117 E HN 0.609 8.969 8.360 -0.000 0.000 0.454 118 T N 0.600 115.179 114.554 0.042 0.000 2.821 118 T HA -0.138 4.212 4.350 0.001 0.000 0.267 118 T C 1.742 176.503 174.700 0.101 0.000 1.046 118 T CA 1.173 63.309 62.100 0.060 0.000 1.139 118 T CB -0.154 68.744 68.868 0.050 0.000 0.871 118 T HN 0.194 8.434 8.240 -0.000 0.000 0.454 119 Q N 0.240 120.111 119.800 0.118 0.000 2.084 119 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 119 Q C 2.547 178.603 176.000 0.093 0.000 0.978 119 Q CA 1.080 56.995 55.803 0.187 0.000 0.844 119 Q CB -0.362 28.489 28.738 0.188 0.000 0.898 119 Q HN 0.329 8.599 8.270 -0.000 0.000 0.426 120 V N 1.167 121.114 119.914 0.055 0.000 2.261 120 V HA -0.319 3.801 4.120 0.001 0.000 0.246 120 V C 2.344 178.453 176.094 0.026 0.000 1.047 120 V CA 1.911 64.227 62.300 0.026 0.000 1.015 120 V CB -1.122 30.711 31.823 0.016 0.000 0.642 120 V HN 0.432 8.622 8.190 -0.000 0.000 0.446 121 A N -0.417 122.424 122.820 0.035 0.000 1.903 121 A HA -0.319 4.001 4.320 0.001 0.000 0.219 121 A C 2.174 179.780 177.584 0.037 0.000 1.191 121 A CA 2.432 54.488 52.037 0.032 0.000 0.638 121 A CB -0.555 18.466 19.000 0.036 0.000 0.823 121 A HN 0.674 8.824 8.150 -0.000 0.000 0.451 122 E N -0.624 119.616 120.200 0.066 0.000 2.028 122 E HA -0.050 4.300 4.350 0.001 0.000 0.190 122 E C 2.083 178.706 176.600 0.037 0.000 0.984 122 E CA 1.046 57.493 56.400 0.078 0.000 0.800 122 E CB -0.240 29.570 29.700 0.182 0.000 0.758 122 E HN 0.607 8.967 8.360 -0.000 0.000 0.448 123 L N 0.794 122.013 121.223 -0.006 0.000 2.072 123 L HA -0.137 4.204 4.340 0.001 0.000 0.205 123 L C 2.303 179.168 176.870 -0.008 0.000 1.079 123 L CA 0.515 55.331 54.840 -0.041 0.000 0.752 123 L CB -0.159 41.834 42.059 -0.110 0.000 0.906 123 L HN 0.191 8.421 8.230 -0.000 0.000 0.436 124 I N -0.290 120.275 120.570 -0.008 0.000 2.480 124 I HA -0.050 4.120 4.170 0.001 0.000 0.251 124 I C 2.610 178.723 176.117 -0.006 0.000 1.124 124 I CA 1.243 62.535 61.300 -0.013 0.000 1.444 124 I CB -1.886 36.104 38.000 -0.016 0.000 1.098 124 I HN 0.182 8.392 8.210 -0.000 0.000 0.428 125 G N 1.570 110.372 108.800 0.004 0.000 2.480 125 G HA2 -0.302 3.658 3.960 0.001 0.000 0.216 125 G HA3 -0.302 3.658 3.960 0.001 0.000 0.216 125 G C 1.741 176.644 174.900 0.005 0.000 1.200 125 G CA 2.051 47.155 45.100 0.006 0.000 0.782 125 G HN 0.453 8.743 8.290 -0.000 0.000 0.554 126 T N -0.954 113.606 114.554 0.010 0.000 2.777 126 T HA -0.075 4.276 4.350 0.001 0.000 0.266 126 T C 2.062 176.769 174.700 0.012 0.000 1.040 126 T CA 1.396 63.504 62.100 0.013 0.000 1.141 126 T CB -0.281 68.613 68.868 0.043 0.000 0.868 126 T HN 0.193 8.433 8.240 -0.000 0.000 0.444 127 N N 1.278 119.984 118.700 0.010 0.000 2.446 127 N HA 0.269 5.010 4.740 0.001 0.000 0.179 127 N C 1.562 177.056 175.510 -0.026 0.000 1.054 127 N CA 1.080 54.123 53.050 -0.013 0.000 0.905 127 N CB 0.235 38.694 38.487 -0.046 0.000 0.973 127 N HN 0.679 9.059 8.380 -0.000 0.000 0.448 128 A N -0.279 122.534 122.820 -0.011 0.000 1.690 128 A HA 0.204 4.524 4.320 0.001 0.000 0.213 128 A C 1.584 179.191 177.584 0.038 0.000 1.785 128 A CA -0.136 51.900 52.037 -0.002 0.000 1.230 128 A CB 0.108 19.092 19.000 -0.026 0.000 1.175 128 A HN -0.035 8.115 8.150 -0.000 0.000 0.468 129 I N 1.274 121.864 120.570 0.034 0.000 2.286 129 I HA -0.077 4.094 4.170 0.001 0.000 0.245 129 I C 2.874 179.068 176.117 0.127 0.000 1.104 129 I CA 1.649 63.000 61.300 0.085 0.000 1.397 129 I CB -1.685 36.342 38.000 0.045 0.000 1.072 129 I HN 0.350 8.560 8.210 -0.000 0.000 0.417 130 A N 1.873 124.725 122.820 0.053 0.000 1.883 130 A HA -0.123 4.197 4.320 0.001 0.000 0.217 130 A C 0.245 177.835 177.584 0.011 0.000 1.186 130 A CA 1.739 53.786 52.037 0.016 0.000 0.624 130 A CB -2.071 16.911 19.000 -0.031 0.000 0.822 130 A HN 0.267 8.417 8.150 -0.000 0.000 0.444 131 P HA -0.200 4.220 4.420 -0.000 0.000 0.216 131 P C 1.484 178.806 177.300 0.036 0.000 1.153 131 P CA 1.337 64.439 63.100 0.003 0.000 0.858 131 P CB -0.187 31.515 31.700 0.002 0.000 0.789 132 F N 0.166 120.092 119.950 -0.041 0.000 2.075 132 F HA -0.179 4.349 4.527 0.002 0.000 0.297 132 F C 1.946 177.733 175.800 -0.022 0.000 1.113 132 F CA 1.583 59.565 58.000 -0.030 0.000 1.218 132 F CB -1.012 37.974 39.000 -0.025 0.000 0.984 132 F HN -0.252 8.048 8.300 -0.000 0.000 0.472 133 L N -0.168 120.965 121.223 -0.150 0.000 2.093 133 L HA -0.198 4.142 4.340 0.001 0.000 0.208 133 L C 2.499 179.258 176.870 -0.185 0.000 1.085 133 L CA 0.986 55.683 54.840 -0.238 0.000 0.755 133 L CB -0.738 41.307 42.059 -0.023 0.000 0.904 133 L HN 0.241 8.471 8.230 -0.000 0.000 0.435 134 L N -0.838 120.320 121.223 -0.109 0.000 2.046 134 L HA -0.201 4.139 4.340 0.001 0.000 0.208 134 L C 2.620 179.459 176.870 -0.052 0.000 1.077 134 L CA 1.451 56.251 54.840 -0.066 0.000 0.747 134 L CB -0.825 41.194 42.059 -0.067 0.000 0.896 134 L HN 0.246 8.476 8.230 -0.000 0.000 0.432 135 T N -0.493 113.991 114.554 -0.118 0.000 2.746 135 T HA -0.203 4.148 4.350 0.001 0.000 0.267 135 T C 1.956 176.599 174.700 -0.096 0.000 1.039 135 T CA 1.369 63.406 62.100 -0.106 0.000 1.142 135 T CB -0.154 68.638 68.868 -0.127 0.000 0.866 135 T HN 0.206 8.446 8.240 -0.000 0.000 0.444 136 M N 0.975 120.415 119.600 -0.268 0.000 2.065 136 M HA -0.134 4.347 4.480 0.001 0.000 0.259 136 M C 2.706 178.928 176.300 -0.131 0.000 1.069 136 M CA 1.529 56.669 55.300 -0.267 0.000 1.110 136 M CB -0.513 31.835 32.600 -0.421 0.000 1.328 136 M HN 0.177 8.467 8.290 -0.000 0.000 0.405 137 S N 0.220 115.865 115.700 -0.091 0.000 2.368 137 S HA -0.151 4.319 4.470 0.001 0.000 0.225 137 S C 1.596 176.211 174.600 0.026 0.000 1.030 137 S CA 1.287 59.463 58.200 -0.039 0.000 0.999 137 S CB -0.528 62.662 63.200 -0.017 0.000 0.844 137 S HN 0.422 8.732 8.310 -0.000 0.000 0.459 138 F N 2.518 122.438 119.950 -0.050 0.000 2.069 138 F HA -0.203 4.325 4.527 0.001 0.000 0.298 138 F C 2.354 178.143 175.800 -0.019 0.000 1.113 138 F CA 1.392 59.398 58.000 0.010 0.000 1.214 138 F CB -0.650 38.346 39.000 -0.007 0.000 0.978 138 F HN 0.185 8.485 8.300 -0.000 0.000 0.474 139 A N -0.438 122.450 122.820 0.113 0.000 1.902 139 A HA -0.241 4.079 4.320 0.001 0.000 0.217 139 A C 2.060 179.528 177.584 -0.195 0.000 1.181 139 A CA 1.705 53.703 52.037 -0.064 0.000 0.623 139 A CB -0.983 17.963 19.000 -0.090 0.000 0.818 139 A HN 0.544 8.694 8.150 -0.000 0.000 0.443 140 Q N -0.404 119.298 119.800 -0.164 0.000 2.167 140 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 140 Q C 1.929 177.812 176.000 -0.194 0.000 0.970 140 Q CA 1.314 57.013 55.803 -0.172 0.000 0.855 140 Q CB -0.118 28.536 28.738 -0.141 0.000 0.911 140 Q HN 0.453 8.723 8.270 -0.000 0.000 0.438 141 R N 0.102 120.466 120.500 -0.226 0.000 2.276 141 R HA 0.066 4.406 4.340 0.001 0.000 0.203 141 R C 0.392 176.534 176.300 -0.264 0.000 1.017 141 R CA 0.286 56.178 56.100 -0.347 0.000 1.010 141 R CB -0.053 29.940 30.300 -0.511 0.000 0.900 141 R HN 0.376 8.646 8.270 -0.000 0.000 0.469 153 N N 1.872 120.602 118.700 0.051 0.000 2.750 153 N HA 0.369 5.110 4.740 0.001 0.000 0.253 153 N C -1.288 174.282 175.510 0.101 0.000 1.408 153 N CA -0.427 52.661 53.050 0.062 0.000 0.780 153 N CB 0.197 38.713 38.487 0.048 0.000 1.191 153 N HN 0.722 9.102 8.380 -0.000 0.000 0.511 154 L N 1.454 122.750 121.223 0.123 0.000 2.331 154 L HA 0.489 4.829 4.340 0.001 0.000 0.278 154 L C 0.535 177.499 176.870 0.157 0.000 1.106 154 L CA -0.291 54.673 54.840 0.207 0.000 0.824 154 L CB 0.893 43.100 42.059 0.247 0.000 1.142 154 L HN 0.520 8.750 8.230 -0.000 0.000 0.443 155 S N 3.608 119.377 115.700 0.115 0.000 2.565 155 S HA 0.734 5.204 4.470 0.001 0.000 0.269 155 S C -1.055 173.420 174.600 -0.208 0.000 1.153 155 S CA -0.900 57.283 58.200 -0.030 0.000 0.835 155 S CB 1.713 64.889 63.200 -0.040 0.000 1.122 155 S HN 0.414 8.724 8.310 -0.000 0.000 0.462 156 I N 1.500 121.927 120.570 -0.238 0.000 2.509 156 I HA 0.614 4.784 4.170 0.001 0.000 0.293 156 I C -1.167 174.841 176.117 -0.181 0.000 1.020 156 I CA -1.158 59.960 61.300 -0.303 0.000 1.088 156 I CB 2.259 40.045 38.000 -0.355 0.000 1.267 156 I HN 0.516 8.726 8.210 -0.000 0.000 0.430 157 V N 5.015 124.830 119.914 -0.165 0.000 2.443 157 V HA 0.377 4.497 4.120 0.001 0.000 0.293 157 V C -0.475 175.560 176.094 -0.099 0.000 1.021 157 V CA -0.814 61.419 62.300 -0.113 0.000 0.848 157 V CB 1.622 33.386 31.823 -0.098 0.000 0.998 157 V HN 0.622 8.812 8.190 -0.000 0.000 0.424 158 N N 4.528 123.180 118.700 -0.080 0.000 2.438 158 N HA 0.402 5.143 4.740 0.001 0.000 0.282 158 N C -0.740 174.737 175.510 -0.055 0.000 1.037 158 N CA -0.546 52.464 53.050 -0.067 0.000 0.942 158 N CB 2.039 40.489 38.487 -0.061 0.000 1.136 158 N HN 0.430 8.810 8.380 -0.000 0.000 0.481 159 L N 2.724 123.917 121.223 -0.049 0.000 2.342 159 L HA 0.238 4.579 4.340 0.001 0.000 0.285 159 L C 0.626 177.466 176.870 -0.050 0.000 1.095 159 L CA -0.066 54.748 54.840 -0.044 0.000 0.843 159 L CB -0.309 41.729 42.059 -0.035 0.000 1.201 159 L HN 0.545 8.775 8.230 -0.000 0.000 0.445 160 C N 2.406 121.671 119.300 -0.058 0.000 2.269 160 C HA 0.534 4.995 4.460 0.001 0.000 0.358 160 C C 0.425 175.372 174.990 -0.071 0.000 2.879 160 C CA -0.522 58.449 59.018 -0.078 0.000 1.858 160 C CB 1.634 29.324 27.740 -0.083 0.000 2.419 160 C HN 0.736 8.966 8.230 -0.000 0.000 0.366 161 D N -1.187 119.163 120.400 -0.083 0.000 2.890 161 D HA 0.411 5.052 4.640 0.001 0.000 0.233 161 D C 0.175 176.438 176.300 -0.061 0.000 1.306 161 D CA -0.163 53.802 54.000 -0.058 0.000 0.929 161 D CB 1.785 42.572 40.800 -0.022 0.000 1.512 161 D HN 0.536 8.906 8.370 -0.000 0.000 0.568 162 A N 3.862 126.654 122.820 -0.045 0.000 2.067 162 A HA -0.084 4.236 4.320 0.001 0.000 0.219 162 A C 1.521 179.097 177.584 -0.014 0.000 1.158 162 A CA 0.912 52.930 52.037 -0.031 0.000 0.661 162 A CB -0.160 18.828 19.000 -0.021 0.000 0.801 162 A HN 0.559 8.709 8.150 -0.000 0.000 0.452 163 M N -0.212 119.387 119.600 -0.002 0.000 2.571 163 M HA 0.138 4.618 4.480 0.001 0.000 0.235 163 M C 1.484 177.810 176.300 0.043 0.000 1.216 163 M CA 0.066 55.387 55.300 0.035 0.000 0.979 163 M CB -0.508 32.123 32.600 0.052 0.000 1.616 163 M HN 0.235 8.525 8.290 -0.000 0.000 0.469 164 V N 1.146 121.050 119.914 -0.016 0.000 2.720 164 V HA -0.188 3.932 4.120 0.001 0.000 0.256 164 V C 1.052 177.197 176.094 0.084 0.000 1.082 164 V CA 1.919 64.181 62.300 -0.063 0.000 1.101 164 V CB -0.071 31.559 31.823 -0.321 0.000 0.693 164 V HN 0.369 8.559 8.190 -0.000 0.000 0.479 165 D N -0.639 119.813 120.400 0.086 0.000 2.369 165 D HA 0.160 4.801 4.640 0.001 0.000 0.211 165 D C 0.555 176.924 176.300 0.116 0.000 1.077 165 D CA 0.211 54.297 54.000 0.143 0.000 0.842 165 D CB 0.522 41.386 40.800 0.106 0.000 0.947 165 D HN 0.527 8.897 8.370 -0.000 0.000 0.509 166 Q N 1.106 120.972 119.800 0.110 0.000 3.230 166 Q HA 0.207 4.547 4.340 0.001 0.000 0.303 166 Q C -2.369 173.710 176.000 0.133 0.000 0.884 166 Q CA -1.153 54.717 55.803 0.111 0.000 0.859 166 Q CB 2.312 31.110 28.738 0.101 0.000 1.432 166 Q HN 0.087 8.357 8.270 -0.000 0.000 0.403 170 A N 2.714 125.648 122.820 0.191 0.000 2.952 170 A HA -0.179 4.141 4.320 0.001 0.000 0.252 170 A C -0.413 177.132 177.584 -0.065 0.000 1.323 170 A CA 1.576 53.649 52.037 0.060 0.000 0.957 170 A CB -2.563 16.435 19.000 -0.004 0.000 1.130 170 A HN 0.973 9.123 8.150 -0.000 0.000 0.799 171 F N 0.440 120.412 119.950 0.038 0.000 2.923 171 F HA 0.316 4.843 4.527 -0.000 0.000 0.314 171 F C 1.692 177.552 175.800 0.100 0.000 1.196 171 F CA 0.677 58.704 58.000 0.044 0.000 1.320 171 F CB 0.380 39.416 39.000 0.060 0.000 0.953 171 F HN 0.175 8.475 8.300 -0.000 0.000 0.505 172 S N 0.218 116.004 115.700 0.142 0.000 2.359 172 S HA -0.169 4.301 4.470 0.001 0.000 0.224 172 S C 2.241 176.897 174.600 0.093 0.000 1.035 172 S CA 1.330 59.596 58.200 0.108 0.000 1.018 172 S CB -0.193 63.038 63.200 0.051 0.000 0.876 172 S HN 0.452 8.762 8.310 -0.000 0.000 0.448 173 L N -0.293 120.966 121.223 0.060 0.000 2.056 173 L HA -0.117 4.223 4.340 0.001 0.000 0.207 173 L C 2.340 179.249 176.870 0.064 0.000 1.078 173 L CA 1.503 56.363 54.840 0.034 0.000 0.749 173 L CB -0.544 41.512 42.059 -0.005 0.000 0.901 173 L HN 0.371 8.601 8.230 -0.000 0.000 0.433 174 Y N 1.161 121.469 120.300 0.013 0.000 2.128 174 Y HA -0.345 4.205 4.550 0.001 0.000 0.284 174 Y C 2.456 178.430 175.900 0.123 0.000 1.154 174 Y CA 2.212 60.361 58.100 0.082 0.000 1.149 174 Y CB -0.340 38.250 38.460 0.217 0.000 0.976 174 Y HN 0.226 8.506 8.280 -0.000 0.000 0.505 175 N N -0.207 118.554 118.700 0.101 0.000 2.120 175 N HA -0.200 4.541 4.740 0.001 0.000 0.188 175 N C 1.777 177.318 175.510 0.050 0.000 1.024 175 N CA 2.033 55.117 53.050 0.056 0.000 0.852 175 N CB -0.299 38.319 38.487 0.218 0.000 1.003 175 N HN 0.465 8.845 8.380 -0.000 0.000 0.424 176 M N -0.557 119.065 119.600 0.037 0.000 2.080 176 M HA -0.084 4.397 4.480 0.001 0.000 0.260 176 M C 2.223 178.516 176.300 -0.012 0.000 1.068 176 M CA 1.851 57.161 55.300 0.016 0.000 1.109 176 M CB -0.800 31.797 32.600 -0.005 0.000 1.342 176 M HN 0.320 8.610 8.290 -0.000 0.000 0.405 177 G N 0.590 109.346 108.800 -0.072 0.000 2.476 177 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 177 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 177 G C 1.659 176.475 174.900 -0.141 0.000 1.164 177 G CA 0.938 45.975 45.100 -0.104 0.000 0.768 177 G HN 0.251 8.541 8.290 -0.000 0.000 0.560 178 K N 0.061 120.307 120.400 -0.258 0.000 2.097 178 K HA -0.024 4.297 4.320 0.001 0.000 0.205 178 K C 2.093 178.594 176.600 -0.165 0.000 1.050 178 K CA 0.719 56.851 56.287 -0.258 0.000 0.938 178 K CB -0.629 31.629 32.500 -0.404 0.000 0.718 178 K HN 0.433 8.683 8.250 -0.000 0.000 0.442 179 H N 0.488 119.487 119.070 -0.119 0.000 2.353 179 H HA -0.038 4.519 4.556 0.002 0.000 0.300 179 H C 1.894 177.185 175.328 -0.062 0.000 1.090 179 H CA 1.567 57.573 56.048 -0.071 0.000 1.327 179 H CB 0.163 29.894 29.762 -0.052 0.000 1.383 179 H HN 0.189 8.469 8.280 -0.000 0.000 0.508 180 A N 0.909 123.760 122.820 0.051 0.000 1.940 180 A HA -0.147 4.174 4.320 0.001 0.000 0.219 180 A C 2.466 180.041 177.584 -0.015 0.000 1.176 180 A CA 1.188 53.227 52.037 0.004 0.000 0.631 180 A CB -0.671 18.316 19.000 -0.022 0.000 0.814 180 A HN 0.288 8.438 8.150 -0.000 0.000 0.446 181 L N -0.173 121.028 121.223 -0.037 0.000 2.141 181 L HA -0.080 4.261 4.340 0.001 0.000 0.209 181 L C 2.389 179.234 176.870 -0.041 0.000 1.094 181 L CA 1.541 56.356 54.840 -0.041 0.000 0.763 181 L CB -0.425 41.595 42.059 -0.066 0.000 0.908 181 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 182 V N -0.164 119.715 119.914 -0.058 0.000 2.255 182 V HA -0.245 3.875 4.120 0.001 0.000 0.247 182 V C 2.617 178.700 176.094 -0.017 0.000 1.051 182 V CA 1.880 64.150 62.300 -0.051 0.000 1.018 182 V CB -1.725 30.049 31.823 -0.081 0.000 0.641 182 V HN 0.593 8.783 8.190 -0.000 0.000 0.445 183 G N -0.081 108.718 108.800 -0.001 0.000 2.440 183 G HA2 -0.284 3.676 3.960 0.001 0.000 0.218 183 G HA3 -0.284 3.676 3.960 0.001 0.000 0.218 183 G C 1.592 176.499 174.900 0.011 0.000 1.154 183 G CA 1.294 46.398 45.100 0.008 0.000 0.767 183 G HN 0.439 8.729 8.290 -0.000 0.000 0.552 184 L N 1.041 122.273 121.223 0.014 0.000 2.017 184 L HA -0.034 4.306 4.340 0.001 0.000 0.208 184 L C 2.920 179.806 176.870 0.026 0.000 1.073 184 L CA 2.770 57.635 54.840 0.042 0.000 0.745 184 L CB -1.142 40.953 42.059 0.060 0.000 0.894 184 L HN 0.208 8.438 8.230 -0.000 0.000 0.432 185 T N -0.505 114.050 114.554 0.000 0.000 2.699 185 T HA -0.257 4.094 4.350 0.001 0.000 0.268 185 T C 1.818 176.515 174.700 -0.006 0.000 1.036 185 T CA 2.046 64.138 62.100 -0.013 0.000 1.147 185 T CB -0.251 68.600 68.868 -0.027 0.000 0.862 185 T HN 0.524 8.764 8.240 -0.000 0.000 0.446 186 Q N 0.386 120.186 119.800 -0.001 0.000 2.049 186 Q HA 0.010 4.350 4.340 0.001 0.000 0.198 186 Q C 2.829 178.836 176.000 0.012 0.000 0.971 186 Q CA 1.205 57.009 55.803 0.002 0.000 0.833 186 Q CB -0.158 28.581 28.738 0.002 0.000 0.896 186 Q HN 0.374 8.644 8.270 -0.000 0.000 0.434 187 S N 0.937 116.650 115.700 0.023 0.000 2.356 187 S HA -0.165 4.306 4.470 0.001 0.000 0.223 187 S C 2.069 176.697 174.600 0.047 0.000 1.032 187 S CA 1.150 59.373 58.200 0.037 0.000 1.005 187 S CB -0.275 62.953 63.200 0.048 0.000 0.867 187 S HN 0.491 8.801 8.310 -0.000 0.000 0.449 188 A N 1.385 124.234 122.820 0.047 0.000 1.930 188 A HA 0.182 4.502 4.320 0.001 0.000 0.217 188 A C 2.331 179.935 177.584 0.033 0.000 1.175 188 A CA 1.584 53.648 52.037 0.044 0.000 0.627 188 A CB -1.013 18.005 19.000 0.029 0.000 0.815 188 A HN 0.502 8.652 8.150 -0.000 0.000 0.443 189 A N -0.394 122.435 122.820 0.015 0.000 1.908 189 A HA -0.081 4.239 4.320 0.001 0.000 0.218 189 A C 2.150 179.743 177.584 0.015 0.000 1.181 189 A CA 1.796 53.836 52.037 0.006 0.000 0.627 189 A CB -0.616 18.376 19.000 -0.013 0.000 0.818 189 A HN 0.627 8.777 8.150 -0.000 0.000 0.445 190 L N -0.336 120.899 121.223 0.019 0.000 2.027 190 L HA -0.103 4.237 4.340 0.001 0.000 0.206 190 L C 2.325 179.224 176.870 0.047 0.000 1.074 190 L CA 2.588 57.441 54.840 0.021 0.000 0.745 190 L CB -0.468 41.603 42.059 0.019 0.000 0.898 190 L HN 0.577 8.807 8.230 -0.000 0.000 0.433 191 E N -0.914 119.327 120.200 0.069 0.000 2.152 191 E HA -0.132 4.218 4.350 0.001 0.000 0.192 191 E C 2.004 178.720 176.600 0.194 0.000 0.983 191 E CA 0.798 57.265 56.400 0.111 0.000 0.818 191 E CB -0.000 29.760 29.700 0.101 0.000 0.758 191 E HN 0.557 8.917 8.360 -0.000 0.000 0.467 192 L N -0.206 121.118 121.223 0.169 0.000 2.567 192 L HA 0.205 4.545 4.340 0.001 0.000 0.225 192 L C 2.355 179.369 176.870 0.240 0.000 1.119 192 L CA 0.249 55.246 54.840 0.262 0.000 0.871 192 L CB -0.060 42.084 42.059 0.142 0.000 1.036 192 L HN 0.111 8.341 8.230 -0.000 0.000 0.459 193 A N 1.629 124.518 122.820 0.116 0.000 1.903 193 A HA -0.160 4.161 4.320 0.001 0.000 0.219 193 A C -0.033 177.563 177.584 0.021 0.000 1.191 193 A CA 1.840 53.906 52.037 0.048 0.000 0.638 193 A CB -1.755 17.243 19.000 -0.004 0.000 0.823 193 A HN 0.294 8.444 8.150 -0.000 0.000 0.451 194 P HA -0.111 4.309 4.420 -0.000 0.000 0.222 194 P C 0.319 177.445 177.300 -0.290 0.000 1.147 194 P CA 0.944 63.922 63.100 -0.203 0.000 0.790 194 P CB -0.187 31.303 31.700 -0.349 0.000 0.780 195 Y N -1.596 118.714 120.300 0.017 0.000 2.466 195 Y HA 0.360 4.910 4.550 0.001 0.000 0.272 195 Y C 1.864 177.781 175.900 0.029 0.000 1.169 195 Y CA 0.351 58.464 58.100 0.022 0.000 1.285 195 Y CB -0.591 37.886 38.460 0.028 0.000 1.078 195 Y HN -0.026 8.254 8.280 -0.000 0.000 0.523 196 G N 1.031 109.908 108.800 0.129 0.000 2.153 196 G HA2 -0.312 3.649 3.960 0.001 0.000 0.252 196 G HA3 -0.312 3.649 3.960 0.001 0.000 0.252 196 G C -0.025 174.944 174.900 0.116 0.000 0.994 196 G CA 0.102 45.260 45.100 0.096 0.000 0.698 196 G HN 0.364 8.654 8.290 -0.000 0.000 0.521 197 I N 0.852 121.513 120.570 0.152 0.000 2.315 197 I HA 0.399 4.570 4.170 0.001 0.000 0.291 197 I C 0.925 177.090 176.117 0.080 0.000 1.006 197 I CA -0.713 60.678 61.300 0.151 0.000 1.265 197 I CB 0.994 39.125 38.000 0.218 0.000 1.387 197 I HN 0.008 8.218 8.210 -0.000 0.000 0.475 198 R N 4.885 125.409 120.500 0.039 0.000 2.404 198 R HA 0.699 5.040 4.340 0.001 0.000 0.291 198 R C -1.112 175.167 176.300 -0.036 0.000 1.025 198 R CA -0.713 55.382 56.100 -0.009 0.000 0.991 198 R CB 1.915 32.196 30.300 -0.030 0.000 1.053 198 R HN 0.350 8.620 8.270 -0.000 0.000 0.479 199 V N 3.386 123.274 119.914 -0.043 0.000 2.482 199 V HA 0.395 4.515 4.120 0.001 0.000 0.295 199 V C -0.514 175.549 176.094 -0.053 0.000 1.026 199 V CA -0.906 61.358 62.300 -0.059 0.000 0.856 199 V CB 1.545 33.341 31.823 -0.045 0.000 1.001 199 V HN 0.803 8.993 8.190 -0.000 0.000 0.424 200 N N 2.044 120.707 118.700 -0.061 0.000 2.697 200 N HA 0.758 5.499 4.740 0.001 0.000 0.272 200 N C -0.386 175.096 175.510 -0.046 0.000 1.381 200 N CA -0.390 52.632 53.050 -0.046 0.000 0.797 200 N CB 2.847 41.309 38.487 -0.042 0.000 1.523 200 N HN 0.811 9.191 8.380 -0.000 0.000 0.518 201 G N -0.514 108.268 108.800 -0.031 0.000 2.563 201 G HA2 0.615 4.575 3.960 0.001 0.000 0.302 201 G HA3 0.615 4.575 3.960 0.001 0.000 0.302 201 G C -1.386 173.502 174.900 -0.019 0.000 1.301 201 G CA -0.323 44.757 45.100 -0.034 0.000 0.965 201 G HN 0.248 8.539 8.290 -0.000 0.000 0.480 202 V N 0.316 120.215 119.914 -0.025 0.000 2.588 202 V HA 0.728 4.849 4.120 0.001 0.000 0.304 202 V C 0.015 176.091 176.094 -0.031 0.000 1.042 202 V CA -0.713 61.577 62.300 -0.016 0.000 0.877 202 V CB 1.679 33.496 31.823 -0.011 0.000 0.996 202 V HN 1.189 9.379 8.190 -0.000 0.000 0.425 203 A N 6.994 129.796 122.820 -0.030 0.000 2.431 203 A HA 0.831 5.151 4.320 0.001 0.000 0.318 203 A C -2.802 174.758 177.584 -0.041 0.000 1.330 203 A CA -1.643 50.369 52.037 -0.041 0.000 0.804 203 A CB 0.696 19.670 19.000 -0.043 0.000 1.135 203 A HN 0.585 8.735 8.150 -0.000 0.000 0.483 204 P HA 0.255 4.675 4.420 -0.000 0.000 0.272 204 P C 0.963 178.222 177.300 -0.068 0.000 1.223 204 P CA 0.320 63.383 63.100 -0.061 0.000 0.784 204 P CB 1.268 32.919 31.700 -0.081 0.000 0.923 205 G N 0.877 109.640 108.800 -0.063 0.000 2.548 205 G HA2 0.174 4.135 3.960 0.001 0.000 0.221 205 G HA3 0.174 4.135 3.960 0.001 0.000 0.221 205 G C -0.530 174.298 174.900 -0.119 0.000 1.796 205 G CA -0.002 45.061 45.100 -0.061 0.000 0.889 205 G HN 0.422 8.712 8.290 -0.000 0.000 0.599 206 V N 1.264 121.123 119.914 -0.093 0.000 2.347 206 V HA 0.566 4.687 4.120 0.001 0.000 0.280 206 V C 0.299 176.331 176.094 -0.103 0.000 1.021 206 V CA -0.267 61.948 62.300 -0.141 0.000 0.847 206 V CB 0.758 32.542 31.823 -0.065 0.000 0.990 206 V HN 0.510 8.700 8.190 -0.000 0.000 0.444 207 S N 4.362 119.982 115.700 -0.134 0.000 3.362 207 S HA 0.608 5.079 4.470 0.001 0.000 0.235 207 S C -0.014 174.524 174.600 -0.104 0.000 1.026 207 S CA -0.706 57.436 58.200 -0.098 0.000 1.257 207 S CB 0.510 63.654 63.200 -0.093 0.000 1.187 207 S HN 0.543 8.853 8.310 -0.000 0.000 0.660 208 L N 2.653 123.822 121.223 -0.091 0.000 2.584 208 L HA 0.132 4.473 4.340 0.001 0.000 0.272 208 L C -0.309 176.495 176.870 -0.110 0.000 1.195 208 L CA -0.048 54.745 54.840 -0.078 0.000 0.920 208 L CB -0.344 41.679 42.059 -0.059 0.000 1.173 208 L HN 0.467 8.697 8.230 -0.000 0.000 0.489 209 L N 5.596 126.765 121.223 -0.090 0.000 2.453 209 L HA 0.270 4.610 4.340 0.001 0.000 0.261 209 L C -1.766 175.060 176.870 -0.073 0.000 1.179 209 L CA -1.737 53.036 54.840 -0.111 0.000 0.813 209 L CB 0.123 42.142 42.059 -0.067 0.000 1.110 209 L HN 0.409 8.639 8.230 -0.000 0.000 0.466 210 P HA -0.030 4.390 4.420 -0.000 0.000 0.265 210 P C 0.778 178.093 177.300 0.024 0.000 1.193 210 P CA -0.184 62.922 63.100 0.009 0.000 0.765 210 P CB 0.566 32.316 31.700 0.083 0.000 0.823 211 V N 2.974 122.906 119.914 0.030 0.000 2.332 211 V HA -0.309 3.811 4.120 0.001 0.000 0.248 211 V C 2.316 178.432 176.094 0.037 0.000 1.055 211 V CA 2.641 64.958 62.300 0.028 0.000 1.038 211 V CB -1.551 30.289 31.823 0.028 0.000 0.651 211 V HN 0.696 8.886 8.190 -0.000 0.000 0.450 212 A N -0.891 121.960 122.820 0.051 0.000 1.972 212 A HA -0.075 4.245 4.320 0.001 0.000 0.219 212 A C 1.533 179.151 177.584 0.057 0.000 1.169 212 A CA 0.897 52.965 52.037 0.052 0.000 0.635 212 A CB -0.375 18.662 19.000 0.062 0.000 0.810 212 A HN 0.526 8.676 8.150 -0.000 0.000 0.446 213 M N 0.848 120.486 119.600 0.065 0.000 2.248 213 M HA 0.306 4.786 4.480 0.001 0.000 0.345 213 M C 0.738 177.077 176.300 0.064 0.000 1.243 213 M CA 0.151 55.496 55.300 0.075 0.000 1.090 213 M CB 0.399 33.046 32.600 0.079 0.000 1.683 213 M HN 0.307 8.597 8.290 -0.000 0.000 0.450 214 G N 2.549 111.391 108.800 0.070 0.000 2.606 214 G HA2 0.053 4.014 3.960 0.001 0.000 0.252 214 G HA3 0.053 4.014 3.960 0.001 0.000 0.252 214 G C 0.324 175.261 174.900 0.061 0.000 1.206 214 G CA -0.427 44.708 45.100 0.057 0.000 0.861 214 G HN 0.972 9.262 8.290 -0.000 0.000 0.561 215 E N -0.478 119.751 120.200 0.048 0.000 2.150 215 E HA -0.145 4.205 4.350 0.001 0.000 0.193 215 E C 1.989 178.621 176.600 0.053 0.000 0.985 215 E CA 1.163 57.591 56.400 0.046 0.000 0.814 215 E CB 0.088 29.808 29.700 0.033 0.000 0.752 215 E HN 0.740 9.100 8.360 -0.000 0.000 0.466 216 E N 0.386 120.616 120.200 0.050 0.000 2.072 216 E HA -0.178 4.173 4.350 0.001 0.000 0.190 216 E C 1.793 178.430 176.600 0.061 0.000 0.982 216 E CA 0.943 57.369 56.400 0.044 0.000 0.803 216 E CB 0.159 29.878 29.700 0.032 0.000 0.755 216 E HN 0.278 8.638 8.360 -0.000 0.000 0.453 217 E N 0.532 120.788 120.200 0.092 0.000 2.051 217 E HA -0.196 4.154 4.350 0.001 0.000 0.192 217 E C 2.104 178.847 176.600 0.238 0.000 0.991 217 E CA 1.073 57.565 56.400 0.154 0.000 0.799 217 E CB 0.017 29.837 29.700 0.201 0.000 0.748 217 E HN 0.157 8.517 8.360 -0.000 0.000 0.449 218 K N 0.716 121.229 120.400 0.188 0.000 2.032 218 K HA -0.184 4.137 4.320 0.001 0.000 0.209 218 K C 1.834 178.534 176.600 0.166 0.000 1.048 218 K CA 1.522 57.918 56.287 0.183 0.000 0.927 218 K CB -0.061 32.497 32.500 0.098 0.000 0.712 218 K HN 0.069 8.319 8.250 -0.000 0.000 0.441 219 D N 0.563 121.024 120.400 0.103 0.000 2.144 219 D HA -0.142 4.498 4.640 0.001 0.000 0.199 219 D C 1.748 178.078 176.300 0.050 0.000 0.984 219 D CA 0.928 54.968 54.000 0.066 0.000 0.834 219 D CB 0.015 40.838 40.800 0.038 0.000 0.955 219 D HN 0.145 8.515 8.370 -0.000 0.000 0.465 220 K N -0.371 120.047 120.400 0.030 0.000 2.032 220 K HA -0.173 4.148 4.320 0.001 0.000 0.209 220 K C 2.148 178.668 176.600 -0.133 0.000 1.048 220 K CA 1.143 57.380 56.287 -0.084 0.000 0.927 220 K CB -0.156 32.251 32.500 -0.155 0.000 0.712 220 K HN 0.187 8.437 8.250 -0.000 0.000 0.441 221 W N 0.889 122.186 121.300 -0.004 0.000 2.409 221 W HA -0.014 4.645 4.660 -0.000 0.000 0.299 221 W C 2.420 178.930 176.519 -0.016 0.000 1.203 221 W CA 0.711 58.049 57.345 -0.011 0.000 1.298 221 W CB -0.095 29.357 29.460 -0.014 0.000 1.127 221 W HN 0.059 8.239 8.180 -0.000 0.000 0.528 222 R N 0.311 120.941 120.500 0.218 0.000 2.096 222 R HA -0.171 4.170 4.340 0.001 0.000 0.240 222 R C 2.027 178.366 176.300 0.066 0.000 1.139 222 R CA 1.633 57.803 56.100 0.117 0.000 0.952 222 R CB -0.579 29.769 30.300 0.080 0.000 0.854 222 R HN 0.196 8.466 8.270 -0.000 0.000 0.436 223 R N 0.633 121.153 120.500 0.033 0.000 2.293 223 R HA -0.091 4.249 4.340 0.001 0.000 0.219 223 R C 1.804 178.093 176.300 -0.017 0.000 1.091 223 R CA 0.946 57.045 56.100 -0.002 0.000 1.004 223 R CB 0.003 30.289 30.300 -0.024 0.000 0.865 223 R HN 0.249 8.519 8.270 -0.000 0.000 0.469 224 K N 0.188 120.582 120.400 -0.009 0.000 2.305 224 K HA 0.054 4.375 4.320 0.001 0.000 0.199 224 K C 0.351 176.956 176.600 0.009 0.000 1.047 224 K CA 0.334 56.607 56.287 -0.023 0.000 0.976 224 K CB 0.449 32.928 32.500 -0.034 0.000 0.765 224 K HN -0.080 8.170 8.250 -0.000 0.000 0.474 225 V N 3.602 123.538 119.914 0.036 0.000 2.439 225 V HA 0.017 4.137 4.120 0.001 0.000 0.271 225 V C -1.693 174.405 176.094 0.007 0.000 1.040 225 V CA -1.028 61.291 62.300 0.031 0.000 1.002 225 V CB 0.838 32.686 31.823 0.042 0.000 1.000 225 V HN 0.042 8.232 8.190 -0.000 0.000 0.477 226 P HA -0.117 4.303 4.420 -0.000 0.000 0.215 226 P C 0.571 177.866 177.300 -0.007 0.000 1.153 226 P CA 0.723 63.816 63.100 -0.012 0.000 0.853 226 P CB 0.185 31.876 31.700 -0.016 0.000 0.788 227 L N -0.452 120.768 121.223 -0.004 0.000 2.358 227 L HA 0.471 4.812 4.340 0.001 0.000 0.274 227 L C 1.082 177.950 176.870 -0.002 0.000 1.136 227 L CA 0.416 55.253 54.840 -0.005 0.000 0.970 227 L CB -1.052 41.004 42.059 -0.006 0.000 1.314 227 L HN 0.297 8.527 8.230 -0.000 0.000 0.427 228 G N 2.795 111.594 108.800 -0.002 0.000 2.194 228 G HA2 -0.315 3.646 3.960 0.001 0.000 0.236 228 G HA3 -0.315 3.646 3.960 0.001 0.000 0.236 228 G C 0.677 175.580 174.900 0.004 0.000 0.987 228 G CA -0.027 45.073 45.100 0.000 0.000 0.635 228 G HN 0.559 8.849 8.290 -0.000 0.000 0.520 229 R N -0.768 119.736 120.500 0.007 0.000 3.416 229 R HA -0.196 4.145 4.340 0.001 0.000 0.263 229 R C 0.742 177.054 176.300 0.020 0.000 1.053 229 R CA 2.015 58.123 56.100 0.013 0.000 0.705 229 R CB -1.575 28.729 30.300 0.006 0.000 1.124 229 R HN 1.224 9.494 8.270 -0.000 0.000 0.444 230 R N -0.938 119.575 120.500 0.022 0.000 2.734 230 R HA 0.400 4.740 4.340 0.001 0.000 0.271 230 R C -0.747 175.566 176.300 0.022 0.000 1.021 230 R CA -1.209 54.904 56.100 0.022 0.000 0.893 230 R CB 1.195 31.502 30.300 0.012 0.000 1.244 230 R HN 0.078 8.348 8.270 -0.000 0.000 0.464 231 E N 1.739 121.949 120.200 0.017 0.000 2.374 231 E HA 0.349 4.699 4.350 0.001 0.000 0.260 231 E C -0.481 176.112 176.600 -0.011 0.000 1.101 231 E CA -0.484 55.917 56.400 0.001 0.000 0.907 231 E CB 1.111 30.804 29.700 -0.012 0.000 1.014 231 E HN 0.655 9.015 8.360 -0.000 0.000 0.427 232 A N 2.232 125.038 122.820 -0.022 0.000 2.477 232 A HA 0.226 4.547 4.320 0.001 0.000 0.246 232 A C 0.571 178.140 177.584 -0.026 0.000 1.078 232 A CA 0.094 52.117 52.037 -0.024 0.000 0.770 232 A CB -0.133 18.848 19.000 -0.031 0.000 1.011 232 A HN 0.728 8.878 8.150 -0.000 0.000 0.494 233 S N 1.852 117.540 115.700 -0.020 0.000 2.593 233 S HA 0.410 4.880 4.470 0.001 0.000 0.269 233 S C 1.312 175.898 174.600 -0.022 0.000 1.334 233 S CA -0.139 58.049 58.200 -0.019 0.000 1.015 233 S CB 1.083 64.276 63.200 -0.012 0.000 0.912 233 S HN 1.635 9.945 8.310 -0.000 0.000 0.541 234 A N 1.374 124.181 122.820 -0.022 0.000 1.978 234 A HA -0.086 4.235 4.320 0.001 0.000 0.220 234 A C 1.977 179.552 177.584 -0.015 0.000 1.170 234 A CA 1.815 53.839 52.037 -0.022 0.000 0.636 234 A CB -1.071 17.917 19.000 -0.019 0.000 0.810 234 A HN 0.900 9.050 8.150 -0.000 0.000 0.448 235 E N -0.085 120.109 120.200 -0.010 0.000 2.106 235 E HA -0.162 4.188 4.350 0.001 0.000 0.192 235 E C 2.162 178.760 176.600 -0.005 0.000 0.984 235 E CA 1.368 57.766 56.400 -0.004 0.000 0.806 235 E CB -0.291 29.408 29.700 -0.001 0.000 0.750 235 E HN 0.761 9.121 8.360 -0.000 0.000 0.458 236 Q N -0.161 119.633 119.800 -0.009 0.000 2.124 236 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 236 Q C 1.892 177.886 176.000 -0.011 0.000 0.977 236 Q CA 0.919 56.715 55.803 -0.011 0.000 0.850 236 Q CB -0.045 28.684 28.738 -0.015 0.000 0.901 236 Q HN 0.275 8.545 8.270 -0.000 0.000 0.429 237 I N 0.634 121.195 120.570 -0.015 0.000 2.179 237 I HA -0.221 3.950 4.170 0.001 0.000 0.242 237 I C 2.370 178.483 176.117 -0.007 0.000 1.088 237 I CA 1.359 62.649 61.300 -0.016 0.000 1.357 237 I CB -1.682 36.302 38.000 -0.027 0.000 1.051 237 I HN 0.122 8.332 8.210 -0.000 0.000 0.409 238 A N 0.730 123.546 122.820 -0.006 0.000 1.908 238 A HA -0.239 4.082 4.320 0.001 0.000 0.218 238 A C 2.006 179.598 177.584 0.013 0.000 1.181 238 A CA 2.018 54.054 52.037 -0.002 0.000 0.627 238 A CB -0.711 18.289 19.000 -0.001 0.000 0.818 238 A HN 0.375 8.525 8.150 -0.000 0.000 0.445 239 D N 0.054 120.465 120.400 0.018 0.000 2.133 239 D HA -0.142 4.498 4.640 0.001 0.000 0.195 239 D C 2.185 178.524 176.300 0.065 0.000 0.997 239 D CA 1.664 55.685 54.000 0.034 0.000 0.840 239 D CB -0.380 40.430 40.800 0.016 0.000 0.947 239 D HN 0.466 8.836 8.370 -0.000 0.000 0.452 240 A N 0.423 123.275 122.820 0.053 0.000 1.930 240 A HA -0.091 4.230 4.320 0.001 0.000 0.217 240 A C 2.549 180.203 177.584 0.117 0.000 1.175 240 A CA 0.968 53.062 52.037 0.095 0.000 0.627 240 A CB -0.546 18.485 19.000 0.051 0.000 0.815 240 A HN 0.146 8.296 8.150 -0.000 0.000 0.443 241 V N 0.643 120.586 119.914 0.048 0.000 2.295 241 V HA -0.250 3.871 4.120 0.001 0.000 0.246 241 V C 2.428 178.524 176.094 0.003 0.000 1.049 241 V CA 1.680 63.984 62.300 0.006 0.000 1.024 241 V CB -0.721 31.084 31.823 -0.030 0.000 0.648 241 V HN 0.493 8.683 8.190 -0.000 0.000 0.447 242 I N -0.211 120.376 120.570 0.029 0.000 2.163 242 I HA -0.266 3.904 4.170 0.001 0.000 0.243 242 I C 2.385 178.551 176.117 0.081 0.000 1.085 242 I CA 1.981 63.305 61.300 0.040 0.000 1.347 242 I CB -1.188 36.849 38.000 0.062 0.000 1.044 242 I HN 0.401 8.611 8.210 -0.000 0.000 0.408 243 F N 1.748 121.696 119.950 -0.003 0.000 2.095 243 F HA -0.217 4.310 4.527 0.000 0.000 0.298 243 F C 2.380 178.184 175.800 0.007 0.000 1.104 243 F CA 1.667 59.670 58.000 0.006 0.000 1.232 243 F CB -0.592 38.410 39.000 0.003 0.000 0.987 243 F HN -0.066 8.234 8.300 -0.000 0.000 0.475 244 L N 0.189 121.298 121.223 -0.190 0.000 2.191 244 L HA -0.159 4.181 4.340 0.001 0.000 0.212 244 L C 2.389 179.121 176.870 -0.230 0.000 1.103 244 L CA 1.201 55.865 54.840 -0.293 0.000 0.769 244 L CB -0.709 41.297 42.059 -0.089 0.000 0.908 244 L HN 0.317 8.547 8.230 -0.000 0.000 0.438 245 V N -4.009 115.818 119.914 -0.146 0.000 3.129 245 V HA 0.052 4.172 4.120 0.001 0.000 0.259 245 V C 1.467 177.534 176.094 -0.045 0.000 1.116 245 V CA 0.310 62.557 62.300 -0.088 0.000 1.127 245 V CB -0.590 31.174 31.823 -0.098 0.000 0.742 245 V HN 0.398 8.588 8.190 -0.000 0.000 0.474 246 S N 0.945 116.588 115.700 -0.095 0.000 2.608 246 S HA 0.466 4.937 4.470 0.001 0.000 0.261 246 S C 1.476 176.028 174.600 -0.080 0.000 1.314 246 S CA 0.223 58.393 58.200 -0.050 0.000 0.992 246 S CB 0.914 64.096 63.200 -0.030 0.000 0.935 246 S HN 0.672 8.982 8.310 -0.000 0.000 0.564 247 G N 0.293 109.077 108.800 -0.027 0.000 2.535 247 G HA2 -0.058 3.903 3.960 0.001 0.000 0.218 247 G HA3 -0.058 3.903 3.960 0.001 0.000 0.218 247 G C 1.084 175.971 174.900 -0.022 0.000 1.122 247 G CA 0.473 45.562 45.100 -0.019 0.000 0.769 247 G HN 0.707 8.997 8.290 -0.000 0.000 0.549 248 S N -0.007 115.672 115.700 -0.036 0.000 2.603 248 S HA 0.320 4.791 4.470 0.001 0.000 0.220 248 S C 1.721 176.258 174.600 -0.105 0.000 0.967 248 S CA 0.491 58.704 58.200 0.021 0.000 0.920 248 S CB 0.315 63.639 63.200 0.206 0.000 0.773 248 S HN 0.528 8.838 8.310 -0.000 0.000 0.529 249 A N 0.379 123.024 122.820 -0.291 0.000 2.606 249 A HA 0.295 4.615 4.320 0.001 0.000 0.290 249 A C 1.398 178.910 177.584 -0.121 0.000 1.174 249 A CA -0.367 51.465 52.037 -0.343 0.000 0.958 249 A CB 0.141 18.700 19.000 -0.734 0.000 1.194 249 A HN 0.155 8.305 8.150 -0.000 0.000 0.526 250 Q N -1.225 118.556 119.800 -0.032 0.000 2.364 250 Q HA -0.145 4.195 4.340 0.001 0.000 0.209 250 Q C 0.551 176.613 176.000 0.104 0.000 0.977 250 Q CA 1.292 57.112 55.803 0.028 0.000 0.885 250 Q CB -0.223 28.545 28.738 0.050 0.000 0.941 250 Q HN 0.839 9.109 8.270 -0.000 0.000 0.464 251 Y N -0.156 120.129 120.300 -0.025 0.000 2.507 251 Y HA 0.276 4.826 4.550 0.001 0.000 0.254 251 Y C 0.217 176.114 175.900 -0.005 0.000 1.171 251 Y CA -0.459 57.637 58.100 -0.007 0.000 1.238 251 Y CB 0.635 39.098 38.460 0.006 0.000 1.148 251 Y HN -0.115 8.165 8.280 -0.000 0.000 0.525 252 I N 0.902 121.480 120.570 0.014 0.000 2.315 252 I HA 0.295 4.465 4.170 0.001 0.000 0.291 252 I C 0.081 176.156 176.117 -0.069 0.000 1.006 252 I CA -0.173 61.114 61.300 -0.022 0.000 1.265 252 I CB 1.311 39.308 38.000 -0.005 0.000 1.387 252 I HN -0.071 8.139 8.210 -0.000 0.000 0.475 253 T N 3.478 117.982 114.554 -0.082 0.000 2.932 253 T HA 0.528 4.879 4.350 0.001 0.000 0.318 253 T C 0.383 175.051 174.700 -0.053 0.000 1.265 253 T CA 0.312 62.370 62.100 -0.070 0.000 1.036 253 T CB 1.499 70.318 68.868 -0.081 0.000 1.209 253 T HN 0.964 9.204 8.240 -0.000 0.000 0.484 254 G N 2.191 110.968 108.800 -0.037 0.000 2.153 254 G HA2 -0.197 3.764 3.960 0.001 0.000 0.252 254 G HA3 -0.197 3.764 3.960 0.001 0.000 0.252 254 G C 0.212 175.102 174.900 -0.017 0.000 0.994 254 G CA 0.740 45.825 45.100 -0.025 0.000 0.698 254 G HN 1.244 9.534 8.290 -0.000 0.000 0.521 255 S N -0.701 114.992 115.700 -0.012 0.000 2.565 255 S HA 0.804 5.275 4.470 0.001 0.000 0.290 255 S C 0.001 174.603 174.600 0.003 0.000 1.150 255 S CA -0.815 57.388 58.200 0.005 0.000 1.058 255 S CB 1.100 64.316 63.200 0.026 0.000 1.032 255 S HN 0.567 8.877 8.310 -0.000 0.000 0.510 256 I N 4.237 124.810 120.570 0.005 0.000 2.439 256 I HA 0.396 4.566 4.170 0.001 0.000 0.285 256 I C -0.739 175.383 176.117 0.008 0.000 1.021 256 I CA -0.518 60.780 61.300 -0.003 0.000 1.091 256 I CB 1.642 39.630 38.000 -0.021 0.000 1.242 256 I HN 0.574 8.784 8.210 -0.000 0.000 0.439 257 I N 6.670 127.251 120.570 0.019 0.000 2.312 257 I HA 0.235 4.405 4.170 0.001 0.000 0.291 257 I C 0.251 176.370 176.117 0.003 0.000 1.031 257 I CA -0.609 60.705 61.300 0.024 0.000 1.293 257 I CB 0.657 38.690 38.000 0.054 0.000 1.403 257 I HN 0.441 8.651 8.210 -0.000 0.000 0.484 258 K N 5.260 125.658 120.400 -0.004 0.000 2.298 258 K HA 0.350 4.671 4.320 0.001 0.000 0.280 258 K C -0.569 176.023 176.600 -0.014 0.000 1.032 258 K CA -0.274 56.006 56.287 -0.012 0.000 0.958 258 K CB 1.467 33.961 32.500 -0.011 0.000 0.978 258 K HN 0.352 8.602 8.250 -0.000 0.000 0.472 259 V N 4.129 124.032 119.914 -0.018 0.000 2.320 259 V HA 0.039 4.160 4.120 0.001 0.000 0.257 259 V C -0.309 175.772 176.094 -0.022 0.000 0.996 259 V CA -0.448 61.840 62.300 -0.020 0.000 0.928 259 V CB 0.400 32.211 31.823 -0.020 0.000 1.169 259 V HN 0.901 9.091 8.190 -0.000 0.000 0.475 260 D N 1.288 121.678 120.400 -0.017 0.000 2.539 260 D HA 0.145 4.786 4.640 0.001 0.000 0.232 260 D C 1.372 177.671 176.300 -0.003 0.000 1.256 260 D CA 0.397 54.390 54.000 -0.012 0.000 0.810 260 D CB 0.693 41.488 40.800 -0.008 0.000 1.090 260 D HN 0.574 8.944 8.370 -0.000 0.000 0.519 261 G N 0.626 109.422 108.800 -0.006 0.000 2.258 261 G HA2 -0.111 3.849 3.960 0.001 0.000 0.274 261 G HA3 -0.111 3.849 3.960 0.001 0.000 0.274 261 G C 1.282 176.182 174.900 -0.000 0.000 1.021 261 G CA 0.849 45.947 45.100 -0.003 0.000 0.798 261 G HN 1.451 9.741 8.290 -0.000 0.000 0.507 262 G N -1.861 106.939 108.800 -0.000 0.000 2.176 262 G HA2 -0.182 3.778 3.960 0.001 0.000 0.253 262 G HA3 -0.182 3.778 3.960 0.001 0.000 0.253 262 G C 1.182 176.086 174.900 0.006 0.000 0.979 262 G CA 1.021 46.121 45.100 0.000 0.000 0.641 262 G HN 1.548 9.838 8.290 -0.000 0.000 0.530 263 L N 2.191 123.425 121.223 0.018 0.000 2.043 263 L HA -0.027 4.313 4.340 0.001 0.000 0.212 263 L C 2.915 179.808 176.870 0.039 0.000 1.075 263 L CA 3.406 58.269 54.840 0.039 0.000 0.752 263 L CB -0.583 41.518 42.059 0.070 0.000 0.891 263 L HN 0.825 9.055 8.230 -0.000 0.000 0.432 264 S N -1.674 114.045 115.700 0.033 0.000 2.515 264 S HA -0.077 4.394 4.470 0.001 0.000 0.231 264 S C 1.771 176.389 174.600 0.030 0.000 0.987 264 S CA 0.887 59.109 58.200 0.036 0.000 0.936 264 S CB -0.722 62.494 63.200 0.026 0.000 0.766 264 S HN 0.528 8.838 8.310 -0.000 0.000 0.528 265 L N 1.316 122.550 121.223 0.017 0.000 2.558 265 L HA 0.250 4.590 4.340 0.001 0.000 0.225 265 L C -0.013 176.857 176.870 0.000 0.000 1.128 265 L CA -0.109 54.740 54.840 0.014 0.000 0.868 265 L CB -0.095 41.967 42.059 0.006 0.000 1.006 265 L HN 0.187 8.417 8.230 -0.000 0.000 0.454 266 V N 0.584 120.486 119.914 -0.019 0.000 2.406 266 V HA 0.075 4.196 4.120 0.001 0.000 0.272 266 V C 0.178 176.237 176.094 -0.058 0.000 1.043 266 V CA -0.844 61.399 62.300 -0.094 0.000 0.915 266 V CB 0.418 32.181 31.823 -0.100 0.000 0.988 266 V HN 0.352 8.542 8.190 -0.000 0.000 0.466 267 H N 3.494 122.569 119.070 0.009 0.000 2.671 267 H HA 0.698 5.255 4.556 0.002 0.000 0.372 267 H C 0.436 175.763 175.328 -0.001 0.000 1.227 267 H CA 0.006 56.059 56.048 0.008 0.000 1.426 267 H CB 0.334 30.100 29.762 0.006 0.000 1.480 267 H HN 0.753 9.033 8.280 -0.000 0.000 0.611 268 A N 0.000 122.972 122.820 0.254 0.000 2.254 268 A HA 0.000 4.321 4.320 0.001 0.000 0.244 268 A CA 0.000 52.127 52.037 0.151 0.000 0.836 268 A CB 0.000 19.053 19.000 0.088 0.000 0.831 268 A HN 0.000 8.150 8.150 -0.000 0.000 0.486