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 2z0j_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLRVDVIPG EHLAYPDVVL VVDVIRATTT AAAFLEAGAE ALYWTPSLES DATA SEQUENCE ALAFKDEDVV LAGETGGLKP PRFDLGNSPR EALSAQVAGR VVVMSTTNGT DATA SEQUENCE KAAHAAARTA KHVLLASLYN AHAAARLARE LATEEVAILC AGKEGRAGLD DATA SEQUENCE DLYTAGVLAE YLGFLGEVEP EDGARVALAV KRAYPDPLEA LSLSAAALAL DATA SEQUENCE KQVGLEADVP FCAQVAKSAA VPVLRGRVGE ALIFKRA 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 R N 2.235 122.746 120.500 0.018 0.000 2.643 2 R HA 0.629 4.970 4.340 0.001 0.000 0.270 2 R C -0.916 175.402 176.300 0.030 0.000 1.061 2 R CA -0.569 55.544 56.100 0.022 0.000 1.107 2 R CB 0.667 30.982 30.300 0.026 0.000 0.999 2 R HN 0.659 8.929 8.270 -0.000 0.000 0.460 3 L N 2.923 124.165 121.223 0.031 0.000 2.372 3 L HA 0.408 4.749 4.340 0.001 0.000 0.274 3 L C -0.813 176.084 176.870 0.045 0.000 0.988 3 L CA -0.228 54.635 54.840 0.038 0.000 0.833 3 L CB 1.310 43.388 42.059 0.030 0.000 1.236 3 L HN 0.568 8.798 8.230 -0.000 0.000 0.410 4 R N 4.152 124.687 120.500 0.059 0.000 2.621 4 R HA 0.854 5.195 4.340 0.001 0.000 0.292 4 R C -2.005 174.343 176.300 0.080 0.000 0.969 4 R CA -0.662 55.480 56.100 0.070 0.000 0.887 4 R CB 2.107 32.460 30.300 0.088 0.000 1.180 4 R HN 0.496 8.766 8.270 -0.000 0.000 0.450 5 V N 3.536 123.495 119.914 0.075 0.000 2.531 5 V HA 0.290 4.411 4.120 0.001 0.000 0.301 5 V C -1.087 175.062 176.094 0.091 0.000 1.034 5 V CA -0.847 61.500 62.300 0.079 0.000 0.865 5 V CB 1.924 33.783 31.823 0.060 0.000 0.995 5 V HN 0.772 8.962 8.190 -0.000 0.000 0.424 6 D N 2.659 123.130 120.400 0.118 0.000 2.329 6 D HA 0.266 4.906 4.640 0.001 0.000 0.232 6 D C 0.974 177.331 176.300 0.096 0.000 1.088 6 D CA -0.225 53.847 54.000 0.120 0.000 0.835 6 D CB 2.097 43.013 40.800 0.192 0.000 1.078 6 D HN 0.415 8.785 8.370 -0.000 0.000 0.495 7 V N 1.158 121.120 119.914 0.080 0.000 2.970 7 V HA 0.141 4.262 4.120 0.001 0.000 0.260 7 V C 0.673 176.811 176.094 0.073 0.000 1.100 7 V CA 0.790 63.133 62.300 0.072 0.000 1.122 7 V CB -0.468 31.394 31.823 0.065 0.000 0.721 7 V HN 0.385 8.575 8.190 -0.000 0.000 0.483 8 I N -0.712 119.907 120.570 0.081 0.000 2.918 8 I HA 0.693 4.864 4.170 0.001 0.000 0.301 8 I C -2.875 173.301 176.117 0.099 0.000 1.312 8 I CA -2.346 59.004 61.300 0.082 0.000 1.007 8 I CB 2.364 40.409 38.000 0.075 0.000 1.281 8 I HN -0.078 8.132 8.210 -0.000 0.000 0.440 9 P HA 0.577 4.997 4.420 -0.000 0.000 0.276 9 P C -1.199 176.169 177.300 0.113 0.000 1.261 9 P CA -0.457 62.717 63.100 0.123 0.000 0.800 9 P CB 0.745 32.518 31.700 0.121 0.000 1.066 10 G N -0.581 108.277 108.800 0.098 0.000 2.753 10 G HA2 0.199 4.160 3.960 0.001 0.000 0.295 10 G HA3 0.199 4.160 3.960 0.001 0.000 0.295 10 G C 0.243 175.209 174.900 0.110 0.000 1.437 10 G CA -0.299 44.868 45.100 0.111 0.000 1.094 10 G HN 0.497 8.787 8.290 -0.000 0.000 0.540 11 E N 0.952 121.290 120.200 0.229 0.000 2.118 11 E HA -0.265 4.086 4.350 0.001 0.000 0.195 11 E C 1.716 178.418 176.600 0.170 0.000 0.992 11 E CA 1.776 58.285 56.400 0.182 0.000 0.804 11 E CB -0.011 29.785 29.700 0.159 0.000 0.741 11 E HN 0.710 9.070 8.360 -0.000 0.000 0.458 12 H N -0.247 118.841 119.070 0.031 0.000 2.548 12 H HA 0.131 4.688 4.556 0.001 0.000 0.268 12 H C 0.704 176.018 175.328 -0.023 0.000 0.975 12 H CA -0.081 55.972 56.048 0.008 0.000 1.195 12 H CB -0.672 29.091 29.762 0.002 0.000 1.397 12 H HN 0.113 8.393 8.280 -0.000 0.000 0.572 13 L N 1.659 122.558 121.223 -0.540 0.000 2.426 13 L HA 0.411 4.751 4.340 0.001 0.000 0.271 13 L C 0.490 177.116 176.870 -0.407 0.000 1.169 13 L CA -0.198 54.336 54.840 -0.510 0.000 0.836 13 L CB 0.812 42.591 42.059 -0.468 0.000 1.112 13 L HN 0.252 8.482 8.230 -0.000 0.000 0.465 14 A N 3.265 125.773 122.820 -0.520 0.000 2.374 14 A HA 0.752 5.072 4.320 0.001 0.000 0.317 14 A C -1.560 175.593 177.584 -0.718 0.000 1.094 14 A CA -0.415 51.364 52.037 -0.430 0.000 0.765 14 A CB 0.985 19.873 19.000 -0.187 0.000 1.268 14 A HN 0.542 8.692 8.150 -0.000 0.000 0.438 15 Y N 2.026 122.319 120.300 -0.011 0.000 2.326 15 Y HA 0.425 4.976 4.550 0.001 0.000 0.331 15 Y C -1.609 174.289 175.900 -0.003 0.000 0.962 15 Y CA -1.868 56.231 58.100 -0.002 0.000 1.167 15 Y CB 2.011 40.475 38.460 0.006 0.000 1.148 15 Y HN 0.587 8.867 8.280 -0.000 0.000 0.463 16 P HA -0.025 4.395 4.420 -0.000 0.000 0.231 16 P C -0.075 177.265 177.300 0.066 0.000 1.168 16 P CA 1.298 64.432 63.100 0.056 0.000 0.779 16 P CB 1.242 32.960 31.700 0.030 0.000 0.844 17 D N -1.152 119.309 120.400 0.103 0.000 2.954 17 D HA 0.107 4.748 4.640 0.001 0.000 0.137 17 D C -0.534 175.845 176.300 0.131 0.000 1.293 17 D CA -0.012 54.049 54.000 0.102 0.000 1.560 17 D CB 0.256 41.117 40.800 0.101 0.000 1.654 17 D HN -0.333 8.037 8.370 -0.000 0.000 0.193 18 V N 1.500 121.502 119.914 0.147 0.000 2.567 18 V HA 0.564 4.685 4.120 0.001 0.000 0.289 18 V C -0.164 175.972 176.094 0.070 0.000 1.049 18 V CA -0.523 61.861 62.300 0.140 0.000 0.969 18 V CB 1.631 33.521 31.823 0.111 0.000 0.995 18 V HN 0.235 8.425 8.190 -0.000 0.000 0.471 19 V N 5.815 125.740 119.914 0.018 0.000 2.525 19 V HA 0.420 4.541 4.120 0.001 0.000 0.299 19 V C -0.450 175.611 176.094 -0.055 0.000 1.034 19 V CA -0.496 61.751 62.300 -0.089 0.000 0.863 19 V CB 1.758 33.395 31.823 -0.310 0.000 0.999 19 V HN 0.637 8.827 8.190 -0.000 0.000 0.423 20 L N 5.342 126.541 121.223 -0.040 0.000 2.261 20 L HA 0.464 4.805 4.340 0.001 0.000 0.289 20 L C -0.197 176.650 176.870 -0.037 0.000 1.059 20 L CA -0.410 54.417 54.840 -0.022 0.000 0.816 20 L CB 1.424 43.485 42.059 0.003 0.000 1.191 20 L HN 0.397 8.627 8.230 -0.000 0.000 0.431 21 V N 4.902 124.793 119.914 -0.038 0.000 2.498 21 V HA 0.273 4.393 4.120 0.001 0.000 0.279 21 V C 0.180 176.282 176.094 0.013 0.000 1.048 21 V CA -0.446 61.844 62.300 -0.016 0.000 0.967 21 V CB 1.721 33.544 31.823 0.001 0.000 0.988 21 V HN 0.380 8.570 8.190 -0.000 0.000 0.473 22 V N 4.124 124.063 119.914 0.041 0.000 2.444 22 V HA 0.494 4.614 4.120 0.001 0.000 0.294 22 V C -0.569 175.576 176.094 0.084 0.000 1.022 22 V CA -0.382 61.953 62.300 0.059 0.000 0.850 22 V CB 1.843 33.697 31.823 0.052 0.000 0.992 22 V HN 0.950 9.140 8.190 -0.000 0.000 0.426 23 D N 3.859 124.320 120.400 0.102 0.000 2.429 23 D HA 0.162 4.803 4.640 0.001 0.000 0.255 23 D C 0.385 176.738 176.300 0.089 0.000 1.257 23 D CA -0.205 53.853 54.000 0.097 0.000 0.890 23 D CB 1.820 42.691 40.800 0.119 0.000 1.267 23 D HN 0.215 8.585 8.370 -0.000 0.000 0.521 24 V N 2.854 122.814 119.914 0.077 0.000 2.515 24 V HA 0.133 4.253 4.120 0.001 0.000 0.250 24 V C 0.859 176.988 176.094 0.058 0.000 1.058 24 V CA 1.181 63.528 62.300 0.078 0.000 1.064 24 V CB -0.028 31.848 31.823 0.088 0.000 0.675 24 V HN 0.500 8.690 8.190 -0.000 0.000 0.461 25 I N 0.623 121.215 120.570 0.038 0.000 2.428 25 I HA 0.411 4.582 4.170 0.001 0.000 0.279 25 I C 0.801 176.921 176.117 0.004 0.000 1.040 25 I CA -0.024 61.283 61.300 0.012 0.000 1.171 25 I CB 0.843 38.842 38.000 -0.002 0.000 1.312 25 I HN 0.078 8.289 8.210 -0.000 0.000 0.470 26 R N 2.815 123.315 120.500 -0.001 0.000 2.568 26 R HA 0.276 4.617 4.340 0.001 0.000 0.254 26 R C 2.049 178.369 176.300 0.033 0.000 0.925 26 R CA 0.469 56.568 56.100 -0.001 0.000 1.025 26 R CB 0.532 30.803 30.300 -0.048 0.000 1.428 26 R HN 0.650 8.920 8.270 -0.000 0.000 0.573 27 A N 1.378 124.226 122.820 0.046 0.000 1.915 27 A HA -0.275 4.046 4.320 0.001 0.000 0.220 27 A C 2.169 179.931 177.584 0.297 0.000 1.198 27 A CA 2.645 54.751 52.037 0.115 0.000 0.647 27 A CB -1.059 17.941 19.000 -0.000 0.000 0.825 27 A HN 0.438 8.588 8.150 -0.000 0.000 0.456 28 T N -4.207 110.501 114.554 0.256 0.000 2.985 28 T HA -0.051 4.299 4.350 0.001 0.000 0.266 28 T C 1.718 176.508 174.700 0.149 0.000 1.076 28 T CA 1.816 64.036 62.100 0.200 0.000 1.135 28 T CB -0.694 68.238 68.868 0.107 0.000 0.890 28 T HN 0.338 8.578 8.240 -0.000 0.000 0.480 29 T N 2.092 116.727 114.554 0.135 0.000 2.812 29 T HA -0.057 4.294 4.350 0.001 0.000 0.264 29 T C 2.197 176.943 174.700 0.077 0.000 1.042 29 T CA 1.760 63.946 62.100 0.144 0.000 1.140 29 T CB -0.816 68.115 68.868 0.105 0.000 0.870 29 T HN 0.470 8.710 8.240 -0.000 0.000 0.445 30 T N 2.011 116.577 114.554 0.019 0.000 2.788 30 T HA -0.006 4.344 4.350 0.001 0.000 0.268 30 T C 2.386 177.132 174.700 0.078 0.000 1.044 30 T CA 1.088 63.138 62.100 -0.083 0.000 1.139 30 T CB -0.497 68.333 68.868 -0.064 0.000 0.867 30 T HN 0.414 8.654 8.240 -0.000 0.000 0.454 31 A N 1.498 124.468 122.820 0.251 0.000 1.908 31 A HA 0.096 4.417 4.320 0.001 0.000 0.218 31 A C 2.633 180.333 177.584 0.193 0.000 1.181 31 A CA 1.901 54.112 52.037 0.289 0.000 0.627 31 A CB -1.093 17.971 19.000 0.106 0.000 0.818 31 A HN 0.512 8.662 8.150 -0.000 0.000 0.445 32 A N -0.361 122.559 122.820 0.168 0.000 1.930 32 A HA 0.221 4.542 4.320 0.001 0.000 0.217 32 A C 2.462 180.223 177.584 0.294 0.000 1.175 32 A CA 1.878 54.038 52.037 0.205 0.000 0.627 32 A CB -0.886 18.270 19.000 0.260 0.000 0.815 32 A HN 1.035 9.185 8.150 -0.000 0.000 0.443 33 A N -1.117 121.864 122.820 0.269 0.000 1.930 33 A HA 0.027 4.347 4.320 0.001 0.000 0.217 33 A C 1.885 179.509 177.584 0.065 0.000 1.175 33 A CA 1.426 53.567 52.037 0.174 0.000 0.627 33 A CB -0.691 18.203 19.000 -0.176 0.000 0.815 33 A HN 0.426 8.576 8.150 -0.000 0.000 0.443 34 F N 0.129 120.133 119.950 0.090 0.000 2.134 34 F HA -0.084 4.444 4.527 0.001 0.000 0.299 34 F C 2.103 177.941 175.800 0.064 0.000 1.097 34 F CA 1.147 59.184 58.000 0.061 0.000 1.264 34 F CB -0.450 38.584 39.000 0.056 0.000 1.001 34 F HN 0.096 8.396 8.300 -0.000 0.000 0.479 35 L N -0.678 120.701 121.223 0.260 0.000 2.156 35 L HA -0.142 4.199 4.340 0.001 0.000 0.208 35 L C 2.340 179.287 176.870 0.129 0.000 1.095 35 L CA 1.166 56.102 54.840 0.160 0.000 0.770 35 L CB -0.590 41.538 42.059 0.114 0.000 0.914 35 L HN 0.059 8.289 8.230 -0.000 0.000 0.439 36 E N 1.167 121.455 120.200 0.147 0.000 2.153 36 E HA -0.173 4.178 4.350 0.001 0.000 0.194 36 E C 1.953 178.622 176.600 0.115 0.000 0.988 36 E CA 1.319 57.792 56.400 0.123 0.000 0.811 36 E CB -0.027 29.785 29.700 0.186 0.000 0.746 36 E HN 0.344 8.704 8.360 -0.000 0.000 0.466 37 A N -0.687 122.212 122.820 0.133 0.000 2.235 37 A HA 0.345 4.665 4.320 0.001 0.000 0.208 37 A C 1.694 179.339 177.584 0.102 0.000 1.172 37 A CA 0.917 53.023 52.037 0.114 0.000 0.786 37 A CB -0.640 18.436 19.000 0.127 0.000 0.804 37 A HN 0.514 8.664 8.150 -0.000 0.000 0.479 38 G N -2.161 106.698 108.800 0.098 0.000 2.144 38 G HA2 0.133 4.094 3.960 0.001 0.000 0.218 38 G HA3 0.133 4.094 3.960 0.001 0.000 0.218 38 G C 0.410 175.349 174.900 0.065 0.000 0.988 38 G CA 0.139 45.282 45.100 0.071 0.000 0.659 38 G HN 1.577 9.867 8.290 -0.000 0.000 0.522 39 A N -0.026 122.847 122.820 0.089 0.000 2.531 39 A HA 0.553 4.873 4.320 0.001 0.000 0.236 39 A C 1.352 178.952 177.584 0.027 0.000 1.062 39 A CA 1.436 53.500 52.037 0.046 0.000 0.760 39 A CB 0.389 19.417 19.000 0.047 0.000 0.995 39 A HN 0.667 8.817 8.150 -0.000 0.000 0.501 40 E N 1.078 121.275 120.200 -0.005 0.000 2.072 40 E HA 0.165 4.516 4.350 0.001 0.000 0.191 40 E C 0.501 177.112 176.600 0.019 0.000 0.985 40 E CA 1.817 58.218 56.400 0.002 0.000 0.801 40 E CB -0.016 29.673 29.700 -0.019 0.000 0.750 40 E HN 1.069 9.429 8.360 -0.000 0.000 0.452 41 A N -0.984 121.832 122.820 -0.006 0.000 2.608 41 A HA 0.568 4.888 4.320 0.001 0.000 0.292 41 A C -1.717 175.880 177.584 0.021 0.000 1.066 41 A CA -0.790 51.282 52.037 0.058 0.000 0.676 41 A CB 0.777 19.868 19.000 0.152 0.000 1.277 41 A HN 0.070 8.220 8.150 -0.000 0.000 0.413 42 L N 1.211 122.529 121.223 0.158 0.000 2.322 42 L HA 0.528 4.869 4.340 0.001 0.000 0.281 42 L C -1.433 175.716 176.870 0.466 0.000 1.014 42 L CA -0.739 54.214 54.840 0.188 0.000 0.815 42 L CB 1.444 43.620 42.059 0.195 0.000 1.247 42 L HN 0.653 8.883 8.230 -0.000 0.000 0.421 43 Y N 1.297 121.648 120.300 0.085 0.000 2.369 43 Y HA 0.275 4.826 4.550 0.001 0.000 0.337 43 Y C -0.533 175.540 175.900 0.289 0.000 0.961 43 Y CA -1.420 56.721 58.100 0.068 0.000 1.186 43 Y CB 1.060 39.347 38.460 -0.288 0.000 1.139 43 Y HN 0.452 8.732 8.280 -0.000 0.000 0.494 44 W N 3.490 124.951 121.300 0.268 0.000 2.332 44 W HA 0.407 5.067 4.660 0.001 0.000 0.306 44 W C 0.385 177.075 176.519 0.285 0.000 1.149 44 W CA -1.170 56.328 57.345 0.256 0.000 1.271 44 W CB 1.069 30.732 29.460 0.338 0.000 1.243 44 W HN 0.409 8.589 8.180 -0.000 0.000 0.459 45 T N 1.429 116.165 114.554 0.305 0.000 2.929 45 T HA 0.419 4.770 4.350 0.001 0.000 0.284 45 T C -1.543 173.267 174.700 0.184 0.000 1.014 45 T CA -1.946 60.325 62.100 0.284 0.000 1.051 45 T CB 2.539 71.552 68.868 0.241 0.000 1.028 45 T HN 0.266 8.506 8.240 -0.000 0.000 0.485 46 P HA 0.122 4.542 4.420 -0.000 0.000 0.245 46 P C 0.137 177.402 177.300 -0.059 0.000 1.206 46 P CA 0.023 63.030 63.100 -0.155 0.000 0.781 46 P CB 0.128 31.613 31.700 -0.360 0.000 0.994 47 S N -1.840 113.867 115.700 0.012 0.000 2.565 47 S HA 0.256 4.727 4.470 0.001 0.000 0.269 47 S C 0.370 175.015 174.600 0.075 0.000 1.153 47 S CA -0.778 57.436 58.200 0.022 0.000 0.835 47 S CB 0.883 64.092 63.200 0.016 0.000 1.122 47 S HN -0.129 8.181 8.310 -0.000 0.000 0.462 48 L N 1.453 122.714 121.223 0.063 0.000 2.046 48 L HA 0.078 4.418 4.340 0.001 0.000 0.208 48 L C 2.566 179.540 176.870 0.174 0.000 1.077 48 L CA 2.311 57.224 54.840 0.121 0.000 0.747 48 L CB -0.756 41.320 42.059 0.027 0.000 0.896 48 L HN 0.988 9.218 8.230 -0.000 0.000 0.432 49 E N -0.621 119.642 120.200 0.106 0.000 2.106 49 E HA -0.201 4.150 4.350 0.001 0.000 0.192 49 E C 2.139 178.803 176.600 0.106 0.000 0.984 49 E CA 1.410 57.867 56.400 0.096 0.000 0.806 49 E CB -0.017 29.715 29.700 0.054 0.000 0.750 49 E HN 0.724 9.084 8.360 -0.000 0.000 0.458 50 S N 0.259 116.029 115.700 0.117 0.000 2.402 50 S HA -0.029 4.441 4.470 0.001 0.000 0.229 50 S C 2.176 176.932 174.600 0.261 0.000 1.021 50 S CA 1.003 59.291 58.200 0.148 0.000 0.974 50 S CB -0.162 63.130 63.200 0.153 0.000 0.800 50 S HN 0.334 8.644 8.310 -0.000 0.000 0.484 51 A N 1.879 124.856 122.820 0.261 0.000 1.930 51 A HA 0.318 4.639 4.320 0.001 0.000 0.215 51 A C 2.231 179.924 177.584 0.183 0.000 1.176 51 A CA 0.844 53.047 52.037 0.277 0.000 0.632 51 A CB -0.752 18.388 19.000 0.233 0.000 0.819 51 A HN 0.511 8.661 8.150 -0.000 0.000 0.445 52 L N -0.584 120.731 121.223 0.153 0.000 2.265 52 L HA -0.200 4.141 4.340 0.001 0.000 0.215 52 L C 2.933 179.833 176.870 0.049 0.000 1.117 52 L CA 0.759 55.646 54.840 0.078 0.000 0.782 52 L CB -0.461 41.674 42.059 0.126 0.000 0.914 52 L HN 0.474 8.704 8.230 -0.000 0.000 0.441 53 A N -0.223 122.626 122.820 0.048 0.000 1.969 53 A HA -0.159 4.162 4.320 0.001 0.000 0.218 53 A C 1.818 179.319 177.584 -0.138 0.000 1.169 53 A CA 1.238 53.230 52.037 -0.076 0.000 0.635 53 A CB -0.603 18.295 19.000 -0.170 0.000 0.810 53 A HN 0.370 8.520 8.150 -0.000 0.000 0.445 54 F N 0.584 120.527 119.950 -0.013 0.000 2.811 54 F HA 0.023 4.550 4.527 0.001 0.000 0.301 54 F C 2.077 177.837 175.800 -0.066 0.000 1.151 54 F CA 0.981 58.968 58.000 -0.021 0.000 1.412 54 F CB -0.009 38.985 39.000 -0.011 0.000 1.113 54 F HN 0.335 8.635 8.300 -0.000 0.000 0.579 55 K N -0.056 120.381 120.400 0.062 0.000 2.520 55 K HA -0.186 4.135 4.320 0.001 0.000 0.197 55 K C 0.358 176.952 176.600 -0.010 0.000 1.044 55 K CA 1.811 58.088 56.287 -0.017 0.000 0.938 55 K CB -0.241 32.233 32.500 -0.044 0.000 0.767 55 K HN 0.189 8.439 8.250 -0.000 0.000 0.481 56 D N 0.426 120.829 120.400 0.005 0.000 2.423 56 D HA 0.007 4.648 4.640 0.001 0.000 0.212 56 D C 0.343 176.649 176.300 0.010 0.000 1.060 56 D CA 0.166 54.165 54.000 -0.002 0.000 0.872 56 D CB 0.295 41.089 40.800 -0.011 0.000 1.012 56 D HN 0.380 8.750 8.370 -0.000 0.000 0.503 57 E N 0.921 121.145 120.200 0.040 0.000 2.405 57 E HA 0.010 4.361 4.350 0.001 0.000 0.253 57 E C -0.353 176.258 176.600 0.018 0.000 1.257 57 E CA -0.422 56.008 56.400 0.050 0.000 0.960 57 E CB 0.708 30.484 29.700 0.126 0.000 1.077 57 E HN -0.277 8.083 8.360 -0.000 0.000 0.512 58 D N 1.526 121.930 120.400 0.006 0.000 2.608 58 D HA 0.121 4.761 4.640 0.001 0.000 0.224 58 D C -1.066 175.194 176.300 -0.067 0.000 1.123 58 D CA -0.109 53.876 54.000 -0.026 0.000 1.030 58 D CB -0.575 40.213 40.800 -0.020 0.000 1.093 58 D HN 0.272 8.642 8.370 -0.000 0.000 0.497 59 V N -0.640 119.223 119.914 -0.085 0.000 3.160 59 V HA 0.674 4.794 4.120 0.001 0.000 0.310 59 V C -0.512 175.488 176.094 -0.157 0.000 1.181 59 V CA -0.989 61.214 62.300 -0.161 0.000 1.047 59 V CB 1.937 33.634 31.823 -0.210 0.000 1.068 59 V HN -0.118 8.072 8.190 -0.000 0.000 0.441 60 V N 2.234 122.022 119.914 -0.210 0.000 2.435 60 V HA 0.500 4.621 4.120 0.001 0.000 0.290 60 V C -0.458 175.487 176.094 -0.248 0.000 1.030 60 V CA -0.423 61.764 62.300 -0.190 0.000 0.881 60 V CB 1.303 33.015 31.823 -0.185 0.000 0.983 60 V HN 0.745 8.935 8.190 -0.000 0.000 0.445 61 L N 5.061 126.137 121.223 -0.244 0.000 2.257 61 L HA 0.774 5.114 4.340 0.001 0.000 0.290 61 L C 0.289 177.050 176.870 -0.181 0.000 1.044 61 L CA 0.326 54.933 54.840 -0.388 0.000 0.810 61 L CB 0.983 42.625 42.059 -0.694 0.000 1.193 61 L HN 0.805 9.035 8.230 -0.000 0.000 0.425 62 A N 2.746 125.550 122.820 -0.026 0.000 2.413 62 A HA 1.012 5.332 4.320 0.001 0.000 0.307 62 A C -0.114 177.716 177.584 0.409 0.000 1.087 62 A CA 0.165 52.347 52.037 0.241 0.000 0.750 62 A CB 1.663 20.777 19.000 0.190 0.000 1.296 62 A HN 0.927 9.077 8.150 -0.000 0.000 0.423 63 G N 0.249 109.246 108.800 0.329 0.000 2.343 63 G HA2 0.621 4.582 3.960 0.001 0.000 0.289 63 G HA3 0.621 4.582 3.960 0.001 0.000 0.289 63 G C -1.537 173.298 174.900 -0.109 0.000 1.295 63 G CA 0.145 45.311 45.100 0.109 0.000 0.869 63 G HN 1.726 10.016 8.290 -0.000 0.000 0.522 64 E N -1.832 118.244 120.200 -0.207 0.000 2.401 64 E HA 0.685 5.036 4.350 0.001 0.000 0.280 64 E C -0.780 175.693 176.600 -0.212 0.000 1.039 64 E CA -0.403 55.869 56.400 -0.213 0.000 0.814 64 E CB 1.397 31.022 29.700 -0.126 0.000 1.275 64 E HN 1.224 9.584 8.360 -0.000 0.000 0.448 65 T N -1.480 112.962 114.554 -0.186 0.000 2.879 65 T HA 0.601 4.952 4.350 0.001 0.000 0.290 65 T C 0.834 175.471 174.700 -0.104 0.000 0.993 65 T CA -0.495 61.521 62.100 -0.139 0.000 0.975 65 T CB 1.210 69.995 68.868 -0.139 0.000 0.981 65 T HN 1.718 9.958 8.240 -0.000 0.000 0.439 66 G N 1.318 110.070 108.800 -0.081 0.000 2.203 66 G HA2 0.105 4.066 3.960 0.001 0.000 0.263 66 G HA3 0.105 4.066 3.960 0.001 0.000 0.263 66 G C 1.253 176.114 174.900 -0.065 0.000 1.012 66 G CA 0.820 45.882 45.100 -0.064 0.000 0.749 66 G HN 2.496 10.786 8.290 -0.000 0.000 0.512 67 G N -1.988 106.766 108.800 -0.075 0.000 2.199 67 G HA2 -0.220 3.741 3.960 0.001 0.000 0.254 67 G HA3 -0.220 3.741 3.960 0.001 0.000 0.254 67 G C 0.366 175.220 174.900 -0.077 0.000 0.982 67 G CA 0.671 45.728 45.100 -0.072 0.000 0.632 67 G HN 1.388 9.678 8.290 -0.000 0.000 0.529 68 L N 0.587 121.759 121.223 -0.085 0.000 2.322 68 L HA 0.495 4.836 4.340 0.001 0.000 0.279 68 L C 0.892 177.695 176.870 -0.112 0.000 1.036 68 L CA -1.009 53.781 54.840 -0.083 0.000 0.807 68 L CB 1.605 43.622 42.059 -0.071 0.000 1.226 68 L HN 0.130 8.360 8.230 -0.000 0.000 0.433 69 K N 3.113 123.459 120.400 -0.090 0.000 2.489 69 K HA 0.126 4.447 4.320 0.001 0.000 0.278 69 K C -2.307 174.200 176.600 -0.154 0.000 1.000 69 K CA -1.044 55.179 56.287 -0.107 0.000 1.012 69 K CB 0.595 33.081 32.500 -0.023 0.000 0.903 69 K HN 0.223 8.473 8.250 -0.000 0.000 0.485 70 P HA 0.112 4.532 4.420 -0.000 0.000 0.275 70 P C -2.287 174.973 177.300 -0.067 0.000 1.228 70 P CA -1.354 61.573 63.100 -0.289 0.000 0.786 70 P CB 0.707 31.989 31.700 -0.696 0.000 0.927 71 P HA -0.154 4.266 4.420 -0.000 0.000 0.216 71 P C 0.842 178.205 177.300 0.105 0.000 1.154 71 P CA 1.706 64.829 63.100 0.038 0.000 0.865 71 P CB 0.002 31.715 31.700 0.023 0.000 0.789 72 R N -2.474 118.135 120.500 0.181 0.000 2.310 72 R HA 0.160 4.501 4.340 0.001 0.000 0.202 72 R C 0.573 177.053 176.300 0.301 0.000 0.933 72 R CA -0.113 56.116 56.100 0.215 0.000 1.054 72 R CB -0.310 30.105 30.300 0.191 0.000 0.985 72 R HN 0.270 8.540 8.270 -0.000 0.000 0.489 73 F N 0.528 120.480 119.950 0.003 0.000 2.370 73 F HA 0.065 4.592 4.527 0.001 0.000 0.324 73 F C 1.460 177.262 175.800 0.004 0.000 1.116 73 F CA -0.847 57.155 58.000 0.003 0.000 1.123 73 F CB 1.023 40.023 39.000 0.001 0.000 1.238 73 F HN -0.105 8.195 8.300 -0.000 0.000 0.536 74 D N 1.241 121.706 120.400 0.109 0.000 2.162 74 D HA 0.069 4.710 4.640 0.001 0.000 0.203 74 D C 0.235 176.599 176.300 0.106 0.000 0.967 74 D CA 1.352 55.394 54.000 0.069 0.000 0.840 74 D CB 0.386 41.189 40.800 0.005 0.000 0.972 74 D HN 0.189 8.559 8.370 -0.000 0.000 0.482 75 L N -0.892 120.427 121.223 0.160 0.000 2.359 75 L HA 0.515 4.855 4.340 0.001 0.000 0.256 75 L C 0.856 177.833 176.870 0.179 0.000 1.026 75 L CA -1.014 53.921 54.840 0.158 0.000 0.828 75 L CB 2.381 44.569 42.059 0.215 0.000 1.406 75 L HN -0.108 8.122 8.230 -0.000 0.000 0.413 76 G N -0.580 108.278 108.800 0.097 0.000 2.714 76 G HA2 0.051 4.012 3.960 0.001 0.000 0.197 76 G HA3 0.051 4.012 3.960 0.001 0.000 0.197 76 G C 0.003 174.934 174.900 0.051 0.000 1.449 76 G CA -0.050 45.076 45.100 0.044 0.000 1.065 76 G HN 0.594 8.884 8.290 -0.000 0.000 0.575 77 N N -0.867 117.823 118.700 -0.016 0.000 2.328 77 N HA 0.119 4.859 4.740 0.001 0.000 0.247 77 N C 0.119 175.566 175.510 -0.106 0.000 1.165 77 N CA -0.257 52.776 53.050 -0.029 0.000 0.873 77 N CB 0.324 38.784 38.487 -0.045 0.000 1.125 77 N HN 0.283 8.663 8.380 -0.000 0.000 0.513 78 S N 0.758 116.370 115.700 -0.146 0.000 2.505 78 S HA 0.250 4.720 4.470 0.001 0.000 0.276 78 S C -1.354 172.999 174.600 -0.411 0.000 1.274 78 S CA -1.245 56.811 58.200 -0.240 0.000 1.053 78 S CB 0.878 63.953 63.200 -0.208 0.000 0.919 78 S HN 0.191 8.501 8.310 -0.000 0.000 0.490 79 P HA -0.048 4.372 4.420 -0.000 0.000 0.222 79 P C 1.018 177.584 177.300 -1.223 0.000 1.153 79 P CA 0.759 63.325 63.100 -0.890 0.000 0.798 79 P CB 0.157 31.282 31.700 -0.957 0.000 0.796 80 R N 0.523 120.369 120.500 -1.089 0.000 2.066 80 R HA -0.080 4.261 4.340 0.001 0.000 0.232 80 R C 2.377 178.429 176.300 -0.414 0.000 1.131 80 R CA 1.332 56.995 56.100 -0.728 0.000 0.955 80 R CB -0.545 29.533 30.300 -0.370 0.000 0.851 80 R HN 0.315 8.585 8.270 -0.000 0.000 0.432 81 E N 0.521 120.513 120.200 -0.347 0.000 2.150 81 E HA -0.124 4.227 4.350 0.001 0.000 0.193 81 E C 1.992 178.430 176.600 -0.269 0.000 0.985 81 E CA 0.927 57.194 56.400 -0.222 0.000 0.814 81 E CB -0.021 29.590 29.700 -0.149 0.000 0.752 81 E HN 0.356 8.716 8.360 -0.000 0.000 0.466 82 A N 1.306 123.821 122.820 -0.509 0.000 1.898 82 A HA -0.137 4.184 4.320 0.001 0.000 0.216 82 A C 2.151 179.464 177.584 -0.451 0.000 1.181 82 A CA 0.831 52.363 52.037 -0.841 0.000 0.620 82 A CB -0.453 17.515 19.000 -1.721 0.000 0.819 82 A HN 0.228 8.378 8.150 -0.000 0.000 0.442 83 L N 0.748 121.759 121.223 -0.354 0.000 2.191 83 L HA -0.077 4.263 4.340 0.001 0.000 0.212 83 L C 2.240 179.090 176.870 -0.032 0.000 1.103 83 L CA 2.448 57.222 54.840 -0.110 0.000 0.769 83 L CB -0.266 41.795 42.059 0.002 0.000 0.908 83 L HN 0.446 8.676 8.230 -0.000 0.000 0.438 84 S N -1.459 114.204 115.700 -0.062 0.000 2.557 84 S HA 0.482 4.952 4.470 0.001 0.000 0.223 84 S C 0.906 175.510 174.600 0.007 0.000 0.969 84 S CA -0.144 58.048 58.200 -0.013 0.000 0.927 84 S CB -0.378 62.809 63.200 -0.021 0.000 0.806 84 S HN 0.381 8.691 8.310 -0.000 0.000 0.489 85 A N 1.553 124.385 122.820 0.021 0.000 2.313 85 A HA 0.539 4.860 4.320 0.001 0.000 0.261 85 A C 0.262 177.895 177.584 0.082 0.000 1.090 85 A CA -0.483 51.596 52.037 0.071 0.000 0.807 85 A CB 0.257 19.353 19.000 0.161 0.000 1.055 85 A HN 0.337 8.487 8.150 -0.000 0.000 0.492 86 Q N 1.256 121.096 119.800 0.067 0.000 2.678 86 Q HA 0.283 4.624 4.340 0.001 0.000 0.222 86 Q C 0.506 176.537 176.000 0.051 0.000 1.281 86 Q CA 0.122 55.955 55.803 0.049 0.000 0.994 86 Q CB 0.382 29.138 28.738 0.030 0.000 1.452 86 Q HN 0.855 9.125 8.270 -0.000 0.000 0.570 87 V N -2.058 117.899 119.914 0.070 0.000 3.330 87 V HA 0.500 4.620 4.120 0.001 0.000 0.309 87 V C 0.706 176.823 176.094 0.038 0.000 1.481 87 V CA -0.409 61.922 62.300 0.052 0.000 1.068 87 V CB 0.280 32.170 31.823 0.112 0.000 0.935 87 V HN 0.360 8.550 8.190 -0.000 0.000 0.453 88 A N 1.195 124.040 122.820 0.041 0.000 2.548 88 A HA 0.493 4.814 4.320 0.001 0.000 0.247 88 A C 1.751 179.343 177.584 0.013 0.000 1.067 88 A CA 1.022 53.078 52.037 0.033 0.000 0.757 88 A CB -0.730 18.290 19.000 0.032 0.000 0.996 88 A HN 2.092 10.242 8.150 -0.000 0.000 0.504 89 G N 1.990 110.796 108.800 0.010 0.000 2.189 89 G HA2 -0.242 3.718 3.960 0.001 0.000 0.267 89 G HA3 -0.242 3.718 3.960 0.001 0.000 0.267 89 G C 0.459 175.345 174.900 -0.024 0.000 0.975 89 G CA 0.662 45.761 45.100 -0.002 0.000 0.644 89 G HN 0.824 9.114 8.290 -0.000 0.000 0.537 90 R N -0.420 120.057 120.500 -0.039 0.000 2.573 90 R HA 0.633 4.974 4.340 0.001 0.000 0.272 90 R C 0.067 176.285 176.300 -0.137 0.000 1.009 90 R CA -0.818 55.234 56.100 -0.081 0.000 1.059 90 R CB 1.270 31.521 30.300 -0.082 0.000 1.112 90 R HN 0.122 8.392 8.270 -0.000 0.000 0.517 91 V N 2.327 122.114 119.914 -0.211 0.000 2.432 91 V HA 0.210 4.331 4.120 0.001 0.000 0.275 91 V C 0.006 175.861 176.094 -0.399 0.000 1.043 91 V CA -0.558 61.526 62.300 -0.360 0.000 0.925 91 V CB 1.667 33.161 31.823 -0.547 0.000 0.985 91 V HN 0.350 8.540 8.190 -0.000 0.000 0.466 92 V N 6.208 125.871 119.914 -0.418 0.000 2.398 92 V HA 0.406 4.527 4.120 0.001 0.000 0.286 92 V C -0.042 175.813 176.094 -0.398 0.000 1.026 92 V CA -0.609 61.404 62.300 -0.478 0.000 0.868 92 V CB 1.879 33.237 31.823 -0.774 0.000 0.982 92 V HN 0.576 8.766 8.190 -0.000 0.000 0.443 93 V N 6.618 126.313 119.914 -0.365 0.000 2.407 93 V HA 0.469 4.590 4.120 0.001 0.000 0.278 93 V C 0.073 176.089 176.094 -0.130 0.000 1.037 93 V CA -0.221 61.924 62.300 -0.259 0.000 0.900 93 V CB 1.392 33.005 31.823 -0.350 0.000 0.983 93 V HN 0.813 9.003 8.190 -0.000 0.000 0.459 94 M N 3.797 123.396 119.600 -0.003 0.000 2.311 94 M HA 0.439 4.920 4.480 0.001 0.000 0.325 94 M C -0.315 175.937 176.300 -0.080 0.000 1.061 94 M CA -0.151 55.134 55.300 -0.025 0.000 0.957 94 M CB 2.120 34.676 32.600 -0.073 0.000 1.646 94 M HN 0.569 8.859 8.290 -0.000 0.000 0.434 95 S N 2.030 117.744 115.700 0.024 0.000 2.669 95 S HA 0.561 5.031 4.470 0.001 0.000 0.315 95 S C -0.845 173.685 174.600 -0.118 0.000 1.106 95 S CA -0.387 57.812 58.200 -0.002 0.000 1.107 95 S CB 0.927 64.246 63.200 0.198 0.000 0.990 95 S HN 0.792 9.102 8.310 -0.000 0.000 0.471 96 T N 2.382 116.785 114.554 -0.251 0.000 2.907 96 T HA 0.578 4.929 4.350 0.001 0.000 0.290 96 T C 1.417 176.007 174.700 -0.183 0.000 1.066 96 T CA 0.071 62.032 62.100 -0.231 0.000 1.012 96 T CB 1.391 70.071 68.868 -0.313 0.000 1.184 96 T HN 0.722 8.962 8.240 -0.000 0.000 0.522 97 T N 1.407 115.882 114.554 -0.130 0.000 2.849 97 T HA -0.001 4.349 4.350 0.001 0.000 0.230 97 T C 1.681 176.346 174.700 -0.059 0.000 1.071 97 T CA 0.848 62.898 62.100 -0.083 0.000 1.559 97 T CB -0.861 67.970 68.868 -0.063 0.000 1.141 97 T HN 0.619 8.859 8.240 -0.000 0.000 0.417 98 N N 2.118 120.796 118.700 -0.037 0.000 2.094 98 N HA -0.075 4.666 4.740 0.001 0.000 0.191 98 N C 2.248 177.773 175.510 0.026 0.000 1.023 98 N CA 1.578 54.629 53.050 0.002 0.000 0.857 98 N CB -1.175 37.319 38.487 0.010 0.000 1.013 98 N HN 0.678 9.058 8.380 -0.000 0.000 0.426 99 G N 0.022 108.815 108.800 -0.011 0.000 2.421 99 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 99 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 99 G C 1.617 176.597 174.900 0.134 0.000 1.171 99 G CA 1.474 46.608 45.100 0.057 0.000 0.775 99 G HN 0.393 8.683 8.290 -0.000 0.000 0.543 100 T N 0.098 114.616 114.554 -0.059 0.000 2.867 100 T HA -0.040 4.310 4.350 0.001 0.000 0.268 100 T C 2.340 177.243 174.700 0.339 0.000 1.057 100 T CA 1.711 63.923 62.100 0.186 0.000 1.136 100 T CB -0.248 68.649 68.868 0.048 0.000 0.874 100 T HN 0.352 8.592 8.240 -0.000 0.000 0.466 101 K N 0.759 121.262 120.400 0.171 0.000 2.057 101 K HA 0.043 4.364 4.320 0.001 0.000 0.207 101 K C 2.614 179.340 176.600 0.209 0.000 1.049 101 K CA 1.237 57.622 56.287 0.163 0.000 0.931 101 K CB -0.296 32.257 32.500 0.089 0.000 0.714 101 K HN 0.357 8.607 8.250 -0.000 0.000 0.440 102 A N 1.643 124.579 122.820 0.193 0.000 1.898 102 A HA -0.081 4.240 4.320 0.001 0.000 0.216 102 A C 2.404 180.099 177.584 0.185 0.000 1.181 102 A CA 1.755 53.893 52.037 0.168 0.000 0.620 102 A CB -0.659 18.426 19.000 0.142 0.000 0.819 102 A HN 0.323 8.473 8.150 -0.000 0.000 0.442 103 A N -1.193 121.794 122.820 0.278 0.000 1.898 103 A HA -0.176 4.145 4.320 0.001 0.000 0.216 103 A C 2.059 179.747 177.584 0.175 0.000 1.181 103 A CA 1.484 53.671 52.037 0.249 0.000 0.620 103 A CB -0.968 18.281 19.000 0.415 0.000 0.819 103 A HN 0.673 8.823 8.150 -0.000 0.000 0.442 104 H N -0.508 118.690 119.070 0.214 0.000 2.387 104 H HA -0.077 4.480 4.556 0.001 0.000 0.299 104 H C 2.555 177.954 175.328 0.119 0.000 1.090 104 H CA 1.423 57.564 56.048 0.155 0.000 1.332 104 H CB -0.196 29.652 29.762 0.144 0.000 1.386 104 H HN 0.546 8.826 8.280 -0.000 0.000 0.516 105 A N 1.184 124.145 122.820 0.235 0.000 1.877 105 A HA -0.088 4.233 4.320 0.001 0.000 0.216 105 A C 2.701 180.389 177.584 0.174 0.000 1.186 105 A CA 1.635 53.784 52.037 0.187 0.000 0.620 105 A CB -0.794 18.313 19.000 0.179 0.000 0.822 105 A HN 0.428 8.578 8.150 -0.000 0.000 0.443 106 A N -0.195 122.686 122.820 0.101 0.000 1.933 106 A HA 0.192 4.512 4.320 0.001 0.000 0.218 106 A C 2.428 180.042 177.584 0.051 0.000 1.175 106 A CA 1.903 53.936 52.037 -0.007 0.000 0.628 106 A CB -0.948 17.909 19.000 -0.239 0.000 0.814 106 A HN 1.118 9.268 8.150 -0.000 0.000 0.444 107 A N -0.425 122.415 122.820 0.034 0.000 2.125 107 A HA -0.137 4.184 4.320 0.001 0.000 0.219 107 A C 2.130 179.732 177.584 0.030 0.000 1.156 107 A CA 1.499 53.535 52.037 -0.001 0.000 0.671 107 A CB -0.529 18.439 19.000 -0.054 0.000 0.794 107 A HN 0.579 8.729 8.150 -0.000 0.000 0.459 108 R N -0.302 120.246 120.500 0.079 0.000 2.096 108 R HA -0.138 4.203 4.340 0.001 0.000 0.235 108 R C 1.773 178.112 176.300 0.065 0.000 1.127 108 R CA 2.128 58.274 56.100 0.077 0.000 0.968 108 R CB -0.107 30.253 30.300 0.100 0.000 0.861 108 R HN 0.639 8.909 8.270 -0.000 0.000 0.440 109 T N -4.339 110.272 114.554 0.095 0.000 2.993 109 T HA 0.418 4.768 4.350 0.001 0.000 0.260 109 T C 0.383 175.127 174.700 0.073 0.000 0.939 109 T CA 0.034 62.180 62.100 0.076 0.000 0.886 109 T CB 0.375 69.291 68.868 0.079 0.000 1.209 109 T HN 0.207 8.447 8.240 -0.000 0.000 0.518 110 A N 1.764 124.642 122.820 0.096 0.000 2.425 110 A HA 0.482 4.803 4.320 0.001 0.000 0.242 110 A C 1.231 178.787 177.584 -0.047 0.000 1.077 110 A CA -0.276 51.797 52.037 0.061 0.000 0.781 110 A CB 0.412 19.433 19.000 0.035 0.000 1.020 110 A HN 0.410 8.560 8.150 -0.000 0.000 0.494 111 K N -0.091 120.248 120.400 -0.102 0.000 2.186 111 K HA 0.023 4.344 4.320 0.001 0.000 0.202 111 K C -0.190 176.054 176.600 -0.593 0.000 1.052 111 K CA 0.956 57.048 56.287 -0.325 0.000 0.965 111 K CB -0.000 32.288 32.500 -0.353 0.000 0.746 111 K HN 0.780 9.030 8.250 -0.000 0.000 0.457 112 H N -0.641 118.426 119.070 -0.005 0.000 2.771 112 H HA 0.295 4.852 4.556 0.001 0.000 0.361 112 H C -1.280 174.033 175.328 -0.024 0.000 1.108 112 H CA -0.721 55.316 56.048 -0.019 0.000 1.201 112 H CB 1.972 31.728 29.762 -0.009 0.000 1.681 112 H HN -0.266 8.014 8.280 -0.000 0.000 0.534 113 V N 4.645 124.604 119.914 0.075 0.000 2.407 113 V HA 0.248 4.368 4.120 0.001 0.000 0.291 113 V C -0.567 175.589 176.094 0.103 0.000 1.018 113 V CA -0.628 61.703 62.300 0.051 0.000 0.842 113 V CB 1.631 33.467 31.823 0.021 0.000 0.996 113 V HN 0.373 8.563 8.190 -0.000 0.000 0.426 114 L N 5.488 126.751 121.223 0.068 0.000 2.342 114 L HA 0.607 4.947 4.340 0.001 0.000 0.271 114 L C -0.329 176.525 176.870 -0.027 0.000 1.008 114 L CA -0.311 54.556 54.840 0.046 0.000 0.818 114 L CB 1.897 43.967 42.059 0.019 0.000 1.296 114 L HN 0.438 8.668 8.230 -0.000 0.000 0.427 115 L N 2.831 123.982 121.223 -0.121 0.000 2.265 115 L HA 0.771 5.112 4.340 0.001 0.000 0.289 115 L C -0.005 176.804 176.870 -0.100 0.000 1.033 115 L CA -0.435 54.271 54.840 -0.223 0.000 0.814 115 L CB 1.202 42.941 42.059 -0.534 0.000 1.203 115 L HN 0.731 8.961 8.230 -0.000 0.000 0.423 116 A N 2.982 125.776 122.820 -0.042 0.000 2.330 116 A HA 0.940 5.260 4.320 0.001 0.000 0.329 116 A C -0.246 177.355 177.584 0.030 0.000 1.135 116 A CA -0.346 51.689 52.037 -0.003 0.000 0.817 116 A CB 1.769 20.772 19.000 0.004 0.000 1.269 116 A HN 0.705 8.855 8.150 -0.000 0.000 0.469 117 S N -0.122 115.604 115.700 0.044 0.000 2.672 117 S HA 0.496 4.967 4.470 0.001 0.000 0.271 117 S C 0.382 175.018 174.600 0.061 0.000 1.171 117 S CA -0.605 57.642 58.200 0.079 0.000 0.817 117 S CB 0.161 63.443 63.200 0.138 0.000 1.150 117 S HN 0.520 8.830 8.310 -0.000 0.000 0.478 118 L N -0.062 121.210 121.223 0.083 0.000 2.056 118 L HA -0.029 4.312 4.340 0.001 0.000 0.207 118 L C 2.405 179.285 176.870 0.017 0.000 1.078 118 L CA 1.683 56.551 54.840 0.047 0.000 0.749 118 L CB -0.624 41.489 42.059 0.090 0.000 0.901 118 L HN 0.846 9.076 8.230 -0.000 0.000 0.433 119 Y N 2.423 122.680 120.300 -0.072 0.000 2.193 119 Y HA -0.281 4.270 4.550 0.001 0.000 0.285 119 Y C 1.969 177.794 175.900 -0.125 0.000 1.166 119 Y CA 1.868 59.900 58.100 -0.114 0.000 1.181 119 Y CB -0.244 38.192 38.460 -0.041 0.000 0.976 119 Y HN 0.445 8.725 8.280 -0.000 0.000 0.520 120 N N -0.324 118.287 118.700 -0.149 0.000 2.351 120 N HA 0.234 4.975 4.740 0.001 0.000 0.254 120 N C 0.987 176.405 175.510 -0.154 0.000 1.241 120 N CA 0.507 53.417 53.050 -0.233 0.000 0.883 120 N CB -0.545 37.843 38.487 -0.165 0.000 1.202 120 N HN 0.267 8.647 8.380 -0.000 0.000 0.512 121 A N 0.873 123.593 122.820 -0.167 0.000 1.883 121 A HA -0.191 4.130 4.320 0.001 0.000 0.217 121 A C 1.829 179.359 177.584 -0.090 0.000 1.186 121 A CA 1.426 53.397 52.037 -0.110 0.000 0.624 121 A CB -1.117 17.820 19.000 -0.107 0.000 0.822 121 A HN 0.608 8.758 8.150 -0.000 0.000 0.444 122 H N -1.038 117.784 119.070 -0.414 0.000 2.357 122 H HA 0.015 4.572 4.556 0.001 0.000 0.301 122 H C 2.525 177.761 175.328 -0.153 0.000 1.082 122 H CA 0.613 56.312 56.048 -0.582 0.000 1.342 122 H CB 0.016 29.372 29.762 -0.676 0.000 1.389 122 H HN 0.578 8.858 8.280 -0.000 0.000 0.511 123 A N 1.273 124.096 122.820 0.006 0.000 1.930 123 A HA -0.057 4.264 4.320 0.001 0.000 0.217 123 A C 2.558 180.154 177.584 0.020 0.000 1.175 123 A CA 1.192 53.238 52.037 0.015 0.000 0.627 123 A CB -0.712 18.267 19.000 -0.035 0.000 0.815 123 A HN 0.443 8.593 8.150 -0.000 0.000 0.443 124 A N -0.091 122.729 122.820 -0.001 0.000 1.902 124 A HA 0.185 4.505 4.320 0.001 0.000 0.217 124 A C 2.475 180.085 177.584 0.043 0.000 1.181 124 A CA 1.976 54.018 52.037 0.009 0.000 0.623 124 A CB -0.921 18.076 19.000 -0.004 0.000 0.818 124 A HN 0.993 9.143 8.150 -0.000 0.000 0.443 125 A N -0.310 122.561 122.820 0.084 0.000 1.898 125 A HA -0.126 4.195 4.320 0.001 0.000 0.216 125 A C 2.246 179.912 177.584 0.137 0.000 1.181 125 A CA 1.434 53.557 52.037 0.144 0.000 0.620 125 A CB -0.431 18.743 19.000 0.290 0.000 0.819 125 A HN 0.531 8.681 8.150 -0.000 0.000 0.442 126 R N -1.244 119.349 120.500 0.156 0.000 2.081 126 R HA -0.093 4.248 4.340 0.001 0.000 0.235 126 R C 2.097 178.424 176.300 0.044 0.000 1.131 126 R CA 1.434 57.601 56.100 0.112 0.000 0.960 126 R CB -0.482 29.897 30.300 0.130 0.000 0.856 126 R HN 0.486 8.756 8.270 -0.000 0.000 0.436 127 L N 0.638 121.878 121.223 0.028 0.000 2.093 127 L HA -0.038 4.303 4.340 0.001 0.000 0.208 127 L C 2.196 179.047 176.870 -0.031 0.000 1.085 127 L CA 1.762 56.596 54.840 -0.011 0.000 0.755 127 L CB -0.559 41.491 42.059 -0.015 0.000 0.904 127 L HN 0.107 8.337 8.230 -0.000 0.000 0.435 128 A N -0.254 122.563 122.820 -0.005 0.000 1.883 128 A HA -0.275 4.046 4.320 0.001 0.000 0.217 128 A C 2.516 180.091 177.584 -0.016 0.000 1.186 128 A CA 1.929 53.961 52.037 -0.010 0.000 0.624 128 A CB -0.643 18.371 19.000 0.023 0.000 0.822 128 A HN 0.488 8.638 8.150 -0.000 0.000 0.444 129 R N 0.082 120.583 120.500 0.001 0.000 2.096 129 R HA -0.168 4.172 4.340 0.001 0.000 0.235 129 R C 2.179 178.461 176.300 -0.029 0.000 1.127 129 R CA 1.800 57.894 56.100 -0.009 0.000 0.968 129 R CB -0.318 29.978 30.300 -0.005 0.000 0.861 129 R HN 0.762 9.032 8.270 -0.000 0.000 0.440 130 E N 0.149 120.327 120.200 -0.036 0.000 2.110 130 E HA -0.190 4.160 4.350 0.001 0.000 0.193 130 E C 1.617 178.168 176.600 -0.082 0.000 0.988 130 E CA 1.239 57.609 56.400 -0.050 0.000 0.804 130 E CB -0.081 29.592 29.700 -0.044 0.000 0.745 130 E HN 0.450 8.810 8.360 -0.000 0.000 0.458 131 L N 0.687 121.829 121.223 -0.135 0.000 2.375 131 L HA 0.210 4.550 4.340 0.001 0.000 0.215 131 L C 1.275 178.063 176.870 -0.137 0.000 1.108 131 L CA 0.012 54.699 54.840 -0.255 0.000 0.830 131 L CB -0.124 41.600 42.059 -0.558 0.000 0.959 131 L HN 0.106 8.336 8.230 -0.000 0.000 0.457 132 A N 0.066 122.856 122.820 -0.050 0.000 2.407 132 A HA 0.350 4.671 4.320 0.001 0.000 0.248 132 A C 1.065 178.664 177.584 0.025 0.000 1.082 132 A CA 0.462 52.512 52.037 0.022 0.000 0.785 132 A CB 0.299 19.313 19.000 0.024 0.000 1.020 132 A HN 0.345 8.495 8.150 -0.000 0.000 0.489 133 T N -2.227 112.355 114.554 0.047 0.000 2.964 133 T HA 0.182 4.533 4.350 0.001 0.000 0.250 133 T C 0.826 175.543 174.700 0.028 0.000 0.982 133 T CA 0.678 62.798 62.100 0.033 0.000 0.959 133 T CB -0.071 68.821 68.868 0.040 0.000 1.141 133 T HN 0.804 9.044 8.240 -0.000 0.000 0.494 134 E N 0.373 120.596 120.200 0.037 0.000 2.555 134 E HA 0.325 4.676 4.350 0.001 0.000 0.209 134 E C 0.325 176.947 176.600 0.035 0.000 0.847 134 E CA -0.366 56.052 56.400 0.030 0.000 1.438 134 E CB 0.714 30.431 29.700 0.029 0.000 1.420 134 E HN 0.465 8.825 8.360 -0.000 0.000 0.755 135 E N 0.840 121.070 120.200 0.050 0.000 2.354 135 E HA 0.368 4.719 4.350 0.001 0.000 0.283 135 E C -1.857 174.783 176.600 0.068 0.000 0.938 135 E CA -0.791 55.642 56.400 0.056 0.000 0.777 135 E CB 2.706 32.445 29.700 0.065 0.000 1.222 135 E HN 0.011 8.371 8.360 -0.000 0.000 0.423 136 V N 2.757 122.707 119.914 0.059 0.000 2.357 136 V HA 0.693 4.814 4.120 0.001 0.000 0.284 136 V C -0.061 176.076 176.094 0.072 0.000 1.018 136 V CA -0.351 61.986 62.300 0.061 0.000 0.841 136 V CB 0.928 32.779 31.823 0.046 0.000 0.991 136 V HN 0.727 8.917 8.190 -0.000 0.000 0.437 137 A N 6.304 129.176 122.820 0.086 0.000 2.325 137 A HA 0.924 5.244 4.320 0.001 0.000 0.333 137 A C -0.711 176.899 177.584 0.045 0.000 1.155 137 A CA -0.584 51.517 52.037 0.105 0.000 0.814 137 A CB 0.865 20.004 19.000 0.231 0.000 1.206 137 A HN 0.764 8.914 8.150 -0.000 0.000 0.482 138 I N 1.953 122.553 120.570 0.050 0.000 2.418 138 I HA 0.306 4.476 4.170 0.001 0.000 0.287 138 I C -1.035 175.097 176.117 0.025 0.000 1.008 138 I CA -0.623 60.690 61.300 0.022 0.000 1.104 138 I CB 1.829 39.850 38.000 0.036 0.000 1.264 138 I HN 0.520 8.730 8.210 -0.000 0.000 0.438 139 L N 7.652 128.861 121.223 -0.023 0.000 2.280 139 L HA 0.514 4.855 4.340 0.001 0.000 0.287 139 L C -0.682 176.206 176.870 0.030 0.000 1.023 139 L CA -0.135 54.702 54.840 -0.004 0.000 0.819 139 L CB 0.877 42.863 42.059 -0.122 0.000 1.212 139 L HN 0.629 8.859 8.230 -0.000 0.000 0.420 140 C N 4.598 123.932 119.300 0.057 0.000 2.347 140 C HA 0.563 5.024 4.460 0.001 0.000 0.353 140 C C 1.839 176.870 174.990 0.069 0.000 1.273 140 C CA -0.036 59.019 59.018 0.062 0.000 1.861 140 C CB 0.271 28.049 27.740 0.065 0.000 2.420 140 C HN 1.026 9.256 8.230 -0.000 0.000 0.542 141 A N 3.393 126.256 122.820 0.072 0.000 1.969 141 A HA 0.373 4.694 4.320 0.001 0.000 0.218 141 A C 1.651 179.273 177.584 0.063 0.000 1.169 141 A CA 1.542 53.624 52.037 0.075 0.000 0.635 141 A CB -1.111 17.939 19.000 0.083 0.000 0.810 141 A HN 1.847 9.997 8.150 -0.000 0.000 0.445 142 G N -0.709 108.125 108.800 0.056 0.000 2.581 142 G HA2 -0.310 3.651 3.960 0.001 0.000 0.291 142 G HA3 -0.310 3.651 3.960 0.001 0.000 0.291 142 G C 0.064 174.986 174.900 0.037 0.000 1.277 142 G CA 0.621 45.749 45.100 0.046 0.000 0.959 142 G HN 1.023 9.313 8.290 -0.000 0.000 0.554 143 K N 0.475 120.894 120.400 0.032 0.000 2.619 143 K HA 0.437 4.758 4.320 0.001 0.000 0.251 143 K C -0.122 176.493 176.600 0.024 0.000 0.987 143 K CA 0.114 56.415 56.287 0.023 0.000 0.844 143 K CB 0.636 33.144 32.500 0.012 0.000 1.237 143 K HN 0.763 9.013 8.250 -0.000 0.000 0.447 144 E N 2.393 122.608 120.200 0.025 0.000 2.269 144 E HA -0.281 4.070 4.350 0.001 0.000 0.223 144 E C 0.473 177.092 176.600 0.031 0.000 1.244 144 E CA 0.933 57.347 56.400 0.025 0.000 0.713 144 E CB -1.359 28.350 29.700 0.015 0.000 1.178 144 E HN 1.129 9.489 8.360 -0.000 0.000 0.370 145 G N -0.184 108.641 108.800 0.041 0.000 2.176 145 G HA2 -0.361 3.600 3.960 0.001 0.000 0.253 145 G HA3 -0.361 3.600 3.960 0.001 0.000 0.253 145 G C 0.187 175.113 174.900 0.043 0.000 0.979 145 G CA 0.478 45.605 45.100 0.046 0.000 0.641 145 G HN 0.316 8.606 8.290 -0.000 0.000 0.530 146 R N 0.046 120.569 120.500 0.038 0.000 2.740 146 R HA 0.728 5.068 4.340 0.001 0.000 0.282 146 R C 0.352 176.675 176.300 0.039 0.000 0.969 146 R CA -0.111 56.011 56.100 0.036 0.000 0.918 146 R CB 1.724 32.040 30.300 0.027 0.000 1.175 146 R HN 0.476 8.746 8.270 -0.000 0.000 0.464 147 A N 1.081 123.926 122.820 0.042 0.000 2.371 147 A HA 0.574 4.895 4.320 0.001 0.000 0.257 147 A C 0.131 177.738 177.584 0.039 0.000 1.089 147 A CA -0.212 51.852 52.037 0.046 0.000 0.794 147 A CB 0.730 19.761 19.000 0.052 0.000 1.029 147 A HN 0.762 8.912 8.150 -0.000 0.000 0.488 148 G N 0.162 108.987 108.800 0.042 0.000 2.356 148 G HA2 0.456 4.417 3.960 0.001 0.000 0.322 148 G HA3 0.456 4.417 3.960 0.001 0.000 0.322 148 G C 0.510 175.433 174.900 0.040 0.000 1.125 148 G CA -0.393 44.727 45.100 0.033 0.000 0.885 148 G HN 0.875 9.165 8.290 -0.000 0.000 0.467 149 L N 1.769 123.004 121.223 0.021 0.000 2.083 149 L HA -0.072 4.268 4.340 0.001 0.000 0.209 149 L C 2.449 179.341 176.870 0.037 0.000 1.083 149 L CA 2.688 57.539 54.840 0.018 0.000 0.752 149 L CB -0.303 41.727 42.059 -0.049 0.000 0.899 149 L HN 0.698 8.928 8.230 -0.000 0.000 0.433 150 D N -1.597 118.812 120.400 0.014 0.000 2.097 150 D HA -0.220 4.421 4.640 0.001 0.000 0.197 150 D C 1.528 177.895 176.300 0.112 0.000 0.984 150 D CA 1.501 55.528 54.000 0.045 0.000 0.826 150 D CB -0.749 40.054 40.800 0.005 0.000 0.973 150 D HN 0.347 8.717 8.370 -0.000 0.000 0.460 151 D N 0.449 120.898 120.400 0.082 0.000 2.144 151 D HA -0.041 4.600 4.640 0.001 0.000 0.200 151 D C 2.384 178.739 176.300 0.092 0.000 0.978 151 D CA 0.348 54.399 54.000 0.085 0.000 0.833 151 D CB -0.217 40.624 40.800 0.068 0.000 0.961 151 D HN 0.261 8.631 8.370 -0.000 0.000 0.470 152 L N -0.219 121.063 121.223 0.098 0.000 2.093 152 L HA -0.175 4.165 4.340 0.001 0.000 0.208 152 L C 2.404 179.340 176.870 0.110 0.000 1.085 152 L CA 0.751 55.648 54.840 0.095 0.000 0.755 152 L CB -0.292 41.825 42.059 0.096 0.000 0.904 152 L HN 0.051 8.281 8.230 -0.000 0.000 0.435 153 Y N 0.659 120.985 120.300 0.043 0.000 2.181 153 Y HA -0.286 4.264 4.550 0.001 0.000 0.288 153 Y C 2.582 178.513 175.900 0.052 0.000 1.146 153 Y CA 2.175 60.308 58.100 0.055 0.000 1.164 153 Y CB -0.443 38.032 38.460 0.025 0.000 0.982 153 Y HN 0.053 8.333 8.280 -0.000 0.000 0.515 154 T N 0.647 115.249 114.554 0.081 0.000 2.746 154 T HA -0.194 4.157 4.350 0.001 0.000 0.267 154 T C 2.113 176.788 174.700 -0.042 0.000 1.039 154 T CA 1.452 63.559 62.100 0.012 0.000 1.142 154 T CB -0.772 68.152 68.868 0.094 0.000 0.866 154 T HN 0.494 8.734 8.240 -0.000 0.000 0.444 155 A N 1.316 124.132 122.820 -0.005 0.000 1.972 155 A HA 0.112 4.433 4.320 0.001 0.000 0.219 155 A C 2.600 180.166 177.584 -0.029 0.000 1.169 155 A CA 1.808 53.846 52.037 0.002 0.000 0.635 155 A CB -1.275 17.742 19.000 0.028 0.000 0.810 155 A HN 0.517 8.667 8.150 -0.000 0.000 0.446 156 G N -0.636 108.114 108.800 -0.083 0.000 2.402 156 G HA2 -0.079 3.881 3.960 0.001 0.000 0.216 156 G HA3 -0.079 3.881 3.960 0.001 0.000 0.216 156 G C 1.495 176.315 174.900 -0.135 0.000 1.162 156 G CA 1.141 46.178 45.100 -0.104 0.000 0.777 156 G HN 0.302 8.592 8.290 -0.000 0.000 0.539 157 V N 0.920 120.690 119.914 -0.241 0.000 2.343 157 V HA -0.133 3.988 4.120 0.001 0.000 0.247 157 V C 2.925 179.022 176.094 0.004 0.000 1.051 157 V CA 1.503 63.715 62.300 -0.145 0.000 1.036 157 V CB -0.407 31.303 31.823 -0.188 0.000 0.654 157 V HN 0.338 8.528 8.190 -0.000 0.000 0.451 158 L N -0.016 121.211 121.223 0.007 0.000 2.046 158 L HA -0.138 4.203 4.340 0.001 0.000 0.208 158 L C 2.718 179.647 176.870 0.098 0.000 1.077 158 L CA 1.569 56.453 54.840 0.074 0.000 0.747 158 L CB -0.798 41.290 42.059 0.048 0.000 0.896 158 L HN 0.344 8.574 8.230 -0.000 0.000 0.432 159 A N -0.297 122.555 122.820 0.052 0.000 1.902 159 A HA -0.263 4.058 4.320 0.001 0.000 0.217 159 A C 2.295 179.918 177.584 0.064 0.000 1.181 159 A CA 1.887 53.955 52.037 0.051 0.000 0.623 159 A CB -0.534 18.483 19.000 0.030 0.000 0.818 159 A HN 0.479 8.629 8.150 -0.000 0.000 0.443 160 E N -1.780 118.457 120.200 0.062 0.000 2.077 160 E HA -0.235 4.116 4.350 0.001 0.000 0.193 160 E C 1.831 178.504 176.600 0.122 0.000 0.989 160 E CA 1.351 57.794 56.400 0.072 0.000 0.800 160 E CB -0.293 29.437 29.700 0.050 0.000 0.746 160 E HN 0.677 9.037 8.360 -0.000 0.000 0.452 161 Y N 0.908 121.221 120.300 0.021 0.000 2.242 161 Y HA -0.127 4.424 4.550 0.001 0.000 0.291 161 Y C 2.035 177.999 175.900 0.107 0.000 1.137 161 Y CA 1.304 59.427 58.100 0.039 0.000 1.181 161 Y CB -0.090 38.355 38.460 -0.025 0.000 0.989 161 Y HN 0.046 8.326 8.280 -0.000 0.000 0.527 162 L N -1.212 120.093 121.223 0.137 0.000 2.131 162 L HA -0.176 4.165 4.340 0.001 0.000 0.210 162 L C 2.569 179.431 176.870 -0.013 0.000 1.092 162 L CA 1.305 56.175 54.840 0.050 0.000 0.759 162 L CB -0.942 41.154 42.059 0.063 0.000 0.903 162 L HN 0.327 8.557 8.230 -0.000 0.000 0.435 163 G N -0.714 108.094 108.800 0.013 0.000 2.448 163 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 163 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 163 G C 1.433 176.314 174.900 -0.032 0.000 1.135 163 G CA 0.227 45.323 45.100 -0.007 0.000 0.784 163 G HN 0.353 8.643 8.290 -0.000 0.000 0.543 164 F N 1.201 121.036 119.950 -0.192 0.000 2.206 164 F HA 0.163 4.691 4.527 0.001 0.000 0.298 164 F C 2.135 177.770 175.800 -0.275 0.000 1.090 164 F CA 0.854 58.702 58.000 -0.255 0.000 1.323 164 F CB -0.070 38.690 39.000 -0.400 0.000 1.028 164 F HN 0.029 8.329 8.300 -0.000 0.000 0.492 165 L N -0.236 120.698 121.223 -0.483 0.000 2.313 165 L HA 0.232 4.573 4.340 0.001 0.000 0.214 165 L C 1.180 177.850 176.870 -0.332 0.000 1.119 165 L CA 0.556 55.100 54.840 -0.493 0.000 0.809 165 L CB -0.909 40.993 42.059 -0.260 0.000 0.933 165 L HN 0.388 8.618 8.230 -0.000 0.000 0.449 166 G N -1.374 107.285 108.800 -0.235 0.000 2.349 166 G HA2 0.201 4.161 3.960 0.001 0.000 0.294 166 G HA3 0.201 4.161 3.960 0.001 0.000 0.294 166 G C -1.543 173.295 174.900 -0.104 0.000 1.380 166 G CA -0.785 44.219 45.100 -0.159 0.000 0.811 166 G HN -0.242 8.048 8.290 -0.000 0.000 0.519 167 E N -0.376 119.778 120.200 -0.076 0.000 2.383 167 E HA 0.474 4.825 4.350 0.001 0.000 0.264 167 E C 0.423 177.003 176.600 -0.034 0.000 1.050 167 E CA -0.155 56.215 56.400 -0.050 0.000 0.896 167 E CB 1.645 31.321 29.700 -0.041 0.000 0.982 167 E HN 1.216 9.576 8.360 -0.000 0.000 0.424 168 V N -1.334 118.568 119.914 -0.020 0.000 3.049 168 V HA 0.472 4.593 4.120 0.001 0.000 0.309 168 V C -0.427 175.666 176.094 -0.001 0.000 1.148 168 V CA -1.030 61.266 62.300 -0.007 0.000 0.990 168 V CB 2.156 33.979 31.823 0.000 0.000 1.039 168 V HN 0.633 8.823 8.190 -0.000 0.000 0.430 169 E N 4.354 124.557 120.200 0.005 0.000 2.183 169 E HA 0.504 4.854 4.350 0.001 0.000 0.250 169 E C -2.699 173.910 176.600 0.014 0.000 0.901 169 E CA -2.112 54.293 56.400 0.007 0.000 0.741 169 E CB 1.935 31.639 29.700 0.007 0.000 1.182 169 E HN 0.732 9.092 8.360 -0.000 0.000 0.425 170 P HA 0.115 4.535 4.420 -0.000 0.000 0.281 170 P C -0.769 176.544 177.300 0.021 0.000 1.249 170 P CA -0.297 62.816 63.100 0.021 0.000 0.810 170 P CB 1.531 33.244 31.700 0.021 0.000 1.008 171 E N 0.913 121.129 120.200 0.026 0.000 2.664 171 E HA 0.237 4.588 4.350 0.001 0.000 0.245 171 E C 0.398 177.014 176.600 0.028 0.000 1.016 171 E CA -0.235 56.180 56.400 0.025 0.000 0.963 171 E CB -0.705 29.009 29.700 0.025 0.000 1.360 171 E HN 0.097 8.457 8.360 -0.000 0.000 0.472 172 D N -0.235 120.182 120.400 0.028 0.000 2.104 172 D HA -0.053 4.587 4.640 0.001 0.000 0.194 172 D C 1.839 178.161 176.300 0.036 0.000 0.994 172 D CA 2.122 56.140 54.000 0.030 0.000 0.830 172 D CB -0.723 40.095 40.800 0.030 0.000 0.959 172 D HN 0.609 8.979 8.370 -0.000 0.000 0.452 173 G N 0.436 109.261 108.800 0.041 0.000 2.422 173 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 173 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 173 G C 1.667 176.595 174.900 0.046 0.000 1.146 173 G CA 1.134 46.262 45.100 0.048 0.000 0.769 173 G HN 0.399 8.689 8.290 -0.000 0.000 0.547 174 A N 0.679 123.525 122.820 0.042 0.000 1.930 174 A HA 0.039 4.360 4.320 0.001 0.000 0.217 174 A C 2.436 180.039 177.584 0.033 0.000 1.175 174 A CA 1.448 53.508 52.037 0.038 0.000 0.627 174 A CB -0.330 18.691 19.000 0.036 0.000 0.815 174 A HN 0.353 8.503 8.150 -0.000 0.000 0.443 175 R N -0.696 119.823 120.500 0.032 0.000 2.092 175 R HA -0.059 4.282 4.340 0.001 0.000 0.231 175 R C 2.004 178.324 176.300 0.034 0.000 1.119 175 R CA 1.332 57.450 56.100 0.029 0.000 0.970 175 R CB -0.492 29.823 30.300 0.026 0.000 0.864 175 R HN 0.396 8.666 8.270 -0.000 0.000 0.440 176 V N 1.049 120.987 119.914 0.040 0.000 2.295 176 V HA -0.241 3.879 4.120 0.001 0.000 0.246 176 V C 2.464 178.591 176.094 0.056 0.000 1.049 176 V CA 2.000 64.329 62.300 0.049 0.000 1.024 176 V CB -0.691 31.163 31.823 0.052 0.000 0.648 176 V HN 0.395 8.585 8.190 -0.000 0.000 0.447 177 A N -0.341 122.509 122.820 0.049 0.000 1.940 177 A HA -0.170 4.150 4.320 0.001 0.000 0.219 177 A C 2.210 179.812 177.584 0.029 0.000 1.176 177 A CA 1.813 53.876 52.037 0.044 0.000 0.631 177 A CB -0.544 18.474 19.000 0.031 0.000 0.814 177 A HN 0.514 8.664 8.150 -0.000 0.000 0.446 178 L N -0.948 120.290 121.223 0.025 0.000 2.093 178 L HA -0.171 4.170 4.340 0.001 0.000 0.208 178 L C 3.072 179.961 176.870 0.032 0.000 1.085 178 L CA 0.952 55.803 54.840 0.018 0.000 0.755 178 L CB -0.495 41.576 42.059 0.019 0.000 0.904 178 L HN 0.438 8.668 8.230 -0.000 0.000 0.435 179 A N -0.406 122.439 122.820 0.043 0.000 1.933 179 A HA -0.133 4.188 4.320 0.001 0.000 0.218 179 A C 2.332 179.964 177.584 0.079 0.000 1.175 179 A CA 1.594 53.659 52.037 0.047 0.000 0.628 179 A CB -0.720 18.306 19.000 0.044 0.000 0.814 179 A HN 0.187 8.337 8.150 -0.000 0.000 0.444 180 V N 0.430 120.418 119.914 0.123 0.000 2.295 180 V HA -0.248 3.872 4.120 0.001 0.000 0.246 180 V C 2.594 178.882 176.094 0.322 0.000 1.049 180 V CA 2.445 64.890 62.300 0.243 0.000 1.024 180 V CB -0.624 31.346 31.823 0.244 0.000 0.648 180 V HN 0.673 8.863 8.190 -0.000 0.000 0.447 181 K N 0.936 121.429 120.400 0.155 0.000 2.032 181 K HA -0.190 4.130 4.320 0.001 0.000 0.209 181 K C 2.172 178.864 176.600 0.154 0.000 1.048 181 K CA 1.719 58.058 56.287 0.087 0.000 0.927 181 K CB -0.428 32.002 32.500 -0.117 0.000 0.712 181 K HN 0.332 8.582 8.250 -0.000 0.000 0.441 182 R N -0.401 120.145 120.500 0.078 0.000 2.120 182 R HA -0.011 4.329 4.340 0.001 0.000 0.234 182 R C 2.251 178.548 176.300 -0.006 0.000 1.123 182 R CA 1.279 57.403 56.100 0.039 0.000 0.975 182 R CB -0.407 29.903 30.300 0.017 0.000 0.866 182 R HN 0.330 8.600 8.270 -0.000 0.000 0.446 183 A N -0.215 122.573 122.820 -0.053 0.000 2.066 183 A HA -0.067 4.254 4.320 0.001 0.000 0.218 183 A C 0.136 177.350 177.584 -0.617 0.000 1.157 183 A CA 0.803 52.645 52.037 -0.325 0.000 0.670 183 A CB 0.076 18.833 19.000 -0.405 0.000 0.804 183 A HN 0.266 8.416 8.150 -0.000 0.000 0.453 184 Y N -0.697 119.682 120.300 0.132 0.000 2.837 184 Y HA 0.324 4.874 4.550 0.001 0.000 0.356 184 Y C -1.903 174.102 175.900 0.176 0.000 1.035 184 Y CA -2.553 55.610 58.100 0.105 0.000 1.165 184 Y CB 0.814 39.285 38.460 0.018 0.000 1.147 184 Y HN 0.156 8.436 8.280 -0.000 0.000 0.628 185 P HA -0.148 4.272 4.420 -0.000 0.000 0.221 185 P C 0.216 177.624 177.300 0.181 0.000 1.145 185 P CA 1.262 64.466 63.100 0.172 0.000 0.795 185 P CB 0.446 32.198 31.700 0.086 0.000 0.775 186 D N 0.252 120.733 120.400 0.135 0.000 2.359 186 D HA 0.086 4.727 4.640 0.001 0.000 0.230 186 D C -1.267 175.001 176.300 -0.054 0.000 1.118 186 D CA -2.634 51.400 54.000 0.057 0.000 0.844 186 D CB 1.128 41.947 40.800 0.032 0.000 1.059 186 D HN 0.002 8.372 8.370 -0.000 0.000 0.493 187 P HA -0.172 4.248 4.420 -0.000 0.000 0.218 187 P C 1.582 178.719 177.300 -0.272 0.000 1.148 187 P CA 0.358 63.322 63.100 -0.228 0.000 0.822 187 P CB 0.511 32.265 31.700 0.089 0.000 0.784 188 L N 0.360 121.500 121.223 -0.139 0.000 2.156 188 L HA -0.037 4.304 4.340 0.001 0.000 0.208 188 L C 2.520 179.299 176.870 -0.151 0.000 1.095 188 L CA 1.717 56.485 54.840 -0.121 0.000 0.770 188 L CB -1.259 40.760 42.059 -0.067 0.000 0.914 188 L HN -0.096 8.134 8.230 -0.000 0.000 0.439 189 E N -0.558 119.552 120.200 -0.149 0.000 2.028 189 E HA -0.216 4.135 4.350 0.001 0.000 0.191 189 E C 2.147 178.562 176.600 -0.308 0.000 0.988 189 E CA 1.109 57.425 56.400 -0.140 0.000 0.799 189 E CB -0.168 29.520 29.700 -0.020 0.000 0.755 189 E HN 0.568 8.928 8.360 -0.000 0.000 0.447 190 A N 0.729 123.249 122.820 -0.500 0.000 1.883 190 A HA -0.195 4.125 4.320 0.001 0.000 0.217 190 A C 2.099 179.392 177.584 -0.484 0.000 1.186 190 A CA 1.359 52.935 52.037 -0.769 0.000 0.624 190 A CB -0.643 17.685 19.000 -1.119 0.000 0.822 190 A HN 0.289 8.439 8.150 -0.000 0.000 0.444 191 L N -0.250 120.753 121.223 -0.366 0.000 2.093 191 L HA -0.061 4.279 4.340 0.001 0.000 0.208 191 L C 2.712 179.488 176.870 -0.157 0.000 1.085 191 L CA 2.043 56.760 54.840 -0.205 0.000 0.755 191 L CB -0.561 41.419 42.059 -0.132 0.000 0.904 191 L HN 0.293 8.523 8.230 -0.000 0.000 0.435 192 S N -0.844 114.762 115.700 -0.157 0.000 2.453 192 S HA -0.005 4.466 4.470 0.001 0.000 0.231 192 S C 1.820 176.354 174.600 -0.110 0.000 1.005 192 S CA 0.669 58.804 58.200 -0.109 0.000 0.949 192 S CB -0.186 62.961 63.200 -0.089 0.000 0.774 192 S HN 0.320 8.630 8.310 -0.000 0.000 0.510 193 L N 1.827 122.956 121.223 -0.158 0.000 2.492 193 L HA 0.092 4.432 4.340 0.001 0.000 0.223 193 L C 1.248 178.047 176.870 -0.117 0.000 1.132 193 L CA -0.066 54.692 54.840 -0.138 0.000 0.850 193 L CB -0.352 41.588 42.059 -0.199 0.000 0.966 193 L HN 0.257 8.487 8.230 -0.000 0.000 0.454 194 S N -0.502 115.126 115.700 -0.121 0.000 2.603 194 S HA 0.348 4.818 4.470 0.001 0.000 0.268 194 S C 1.332 175.900 174.600 -0.054 0.000 1.317 194 S CA -0.131 58.018 58.200 -0.085 0.000 1.012 194 S CB 1.901 65.053 63.200 -0.081 0.000 0.926 194 S HN 0.152 8.462 8.310 -0.000 0.000 0.539 195 A N 2.346 125.145 122.820 -0.036 0.000 1.972 195 A HA 0.131 4.452 4.320 0.001 0.000 0.219 195 A C 2.364 179.932 177.584 -0.025 0.000 1.169 195 A CA 1.753 53.775 52.037 -0.025 0.000 0.635 195 A CB -1.596 17.396 19.000 -0.014 0.000 0.810 195 A HN 1.379 9.529 8.150 -0.000 0.000 0.446 196 A N -0.254 122.551 122.820 -0.025 0.000 1.930 196 A HA 0.204 4.525 4.320 0.001 0.000 0.217 196 A C 2.460 180.025 177.584 -0.031 0.000 1.175 196 A CA 1.888 53.911 52.037 -0.023 0.000 0.627 196 A CB -0.851 18.139 19.000 -0.016 0.000 0.815 196 A HN 0.995 9.145 8.150 -0.000 0.000 0.443 197 A N -0.501 122.296 122.820 -0.038 0.000 1.898 197 A HA 0.033 4.354 4.320 0.001 0.000 0.216 197 A C 2.101 179.662 177.584 -0.037 0.000 1.181 197 A CA 1.585 53.597 52.037 -0.041 0.000 0.620 197 A CB -0.566 18.402 19.000 -0.053 0.000 0.819 197 A HN 0.683 8.833 8.150 -0.000 0.000 0.442 198 L N -0.126 121.076 121.223 -0.036 0.000 2.083 198 L HA -0.039 4.301 4.340 0.001 0.000 0.209 198 L C 2.593 179.447 176.870 -0.028 0.000 1.083 198 L CA 2.131 56.953 54.840 -0.030 0.000 0.752 198 L CB -0.727 41.315 42.059 -0.027 0.000 0.899 198 L HN 0.325 8.555 8.230 -0.000 0.000 0.433 199 A N -0.536 122.267 122.820 -0.028 0.000 1.933 199 A HA -0.162 4.159 4.320 0.001 0.000 0.218 199 A C 2.254 179.820 177.584 -0.031 0.000 1.175 199 A CA 2.001 54.022 52.037 -0.028 0.000 0.628 199 A CB -0.822 18.162 19.000 -0.027 0.000 0.814 199 A HN 0.521 8.671 8.150 -0.000 0.000 0.444 200 L N -0.984 120.219 121.223 -0.033 0.000 2.109 200 L HA -0.118 4.222 4.340 0.001 0.000 0.207 200 L C 2.600 179.450 176.870 -0.034 0.000 1.086 200 L CA 1.614 56.432 54.840 -0.037 0.000 0.760 200 L CB -0.424 41.611 42.059 -0.040 0.000 0.910 200 L HN 0.441 8.671 8.230 -0.000 0.000 0.437 201 K N 0.394 120.776 120.400 -0.031 0.000 2.147 201 K HA -0.212 4.109 4.320 0.001 0.000 0.205 201 K C 1.991 178.576 176.600 -0.026 0.000 1.049 201 K CA 1.322 57.592 56.287 -0.028 0.000 0.936 201 K CB 0.070 32.554 32.500 -0.027 0.000 0.722 201 K HN 0.379 8.629 8.250 -0.000 0.000 0.446 202 Q N -0.094 119.691 119.800 -0.026 0.000 2.369 202 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 202 Q C 1.382 177.367 176.000 -0.025 0.000 0.963 202 Q CA 1.124 56.913 55.803 -0.024 0.000 0.894 202 Q CB 0.419 29.143 28.738 -0.023 0.000 0.965 202 Q HN 0.291 8.561 8.270 -0.000 0.000 0.475 203 V N -5.016 114.881 119.914 -0.029 0.000 3.176 203 V HA 0.531 4.652 4.120 0.001 0.000 0.332 203 V C 0.774 176.850 176.094 -0.031 0.000 1.414 203 V CA 0.185 62.467 62.300 -0.031 0.000 1.133 203 V CB 0.074 31.876 31.823 -0.035 0.000 1.088 203 V HN 0.242 8.432 8.190 -0.000 0.000 0.473 204 G N 1.549 110.331 108.800 -0.029 0.000 2.160 204 G HA2 -0.246 3.715 3.960 0.001 0.000 0.251 204 G HA3 -0.246 3.715 3.960 0.001 0.000 0.251 204 G C 0.182 175.062 174.900 -0.033 0.000 1.008 204 G CA 0.690 45.773 45.100 -0.029 0.000 0.724 204 G HN 0.680 8.970 8.290 -0.000 0.000 0.514 205 L N 0.552 121.753 121.223 -0.037 0.000 3.066 205 L HA 0.242 4.583 4.340 0.001 0.000 0.265 205 L C 2.164 179.008 176.870 -0.043 0.000 1.232 205 L CA 0.326 55.139 54.840 -0.044 0.000 1.031 205 L CB 0.204 42.231 42.059 -0.052 0.000 1.379 205 L HN 0.389 8.619 8.230 -0.000 0.000 0.563 206 E N 1.346 121.524 120.200 -0.036 0.000 2.333 206 E HA -0.201 4.150 4.350 0.001 0.000 0.198 206 E C 1.750 178.333 176.600 -0.029 0.000 1.007 206 E CA 1.273 57.654 56.400 -0.032 0.000 0.845 206 E CB 0.099 29.781 29.700 -0.029 0.000 0.766 206 E HN 0.422 8.782 8.360 -0.000 0.000 0.507 207 A N 1.705 124.507 122.820 -0.030 0.000 2.076 207 A HA -0.178 4.143 4.320 0.001 0.000 0.220 207 A C 1.654 179.226 177.584 -0.020 0.000 1.160 207 A CA 1.549 53.572 52.037 -0.023 0.000 0.653 207 A CB -0.296 18.688 19.000 -0.027 0.000 0.801 207 A HN 0.115 8.265 8.150 -0.000 0.000 0.455 208 D N -0.412 119.964 120.400 -0.040 0.000 2.269 208 D HA -0.042 4.599 4.640 0.001 0.000 0.208 208 D C 1.974 178.277 176.300 0.006 0.000 0.963 208 D CA 0.900 54.872 54.000 -0.047 0.000 0.864 208 D CB -0.081 40.663 40.800 -0.093 0.000 0.936 208 D HN 0.263 8.633 8.370 -0.000 0.000 0.505 209 V N 1.746 121.657 119.914 -0.005 0.000 2.343 209 V HA -0.184 3.937 4.120 0.001 0.000 0.247 209 V C -0.633 175.469 176.094 0.013 0.000 1.051 209 V CA 1.630 63.928 62.300 -0.003 0.000 1.036 209 V CB -1.473 30.335 31.823 -0.026 0.000 0.654 209 V HN 0.155 8.345 8.190 -0.000 0.000 0.451 210 P HA -0.160 4.260 4.420 -0.000 0.000 0.218 210 P C 1.706 179.017 177.300 0.018 0.000 1.149 210 P CA 1.324 64.427 63.100 0.005 0.000 0.817 210 P CB -0.129 31.572 31.700 0.001 0.000 0.785 211 F N 0.304 120.195 119.950 -0.097 0.000 2.102 211 F HA -0.235 4.292 4.527 0.001 0.000 0.298 211 F C 1.963 177.672 175.800 -0.151 0.000 1.105 211 F CA 1.473 59.386 58.000 -0.145 0.000 1.239 211 F CB -0.892 37.989 39.000 -0.198 0.000 0.991 211 F HN -0.088 8.212 8.300 -0.000 0.000 0.474 212 C N 0.256 119.666 119.300 0.184 0.000 2.432 212 C HA 0.044 4.505 4.460 0.001 0.000 0.282 212 C C 2.890 177.906 174.990 0.042 0.000 1.388 212 C CA 0.884 59.968 59.018 0.110 0.000 1.777 212 C CB -2.073 25.711 27.740 0.073 0.000 1.882 212 C HN 0.559 8.789 8.230 -0.000 0.000 0.520 213 A N -0.425 122.396 122.820 0.002 0.000 2.251 213 A HA 0.054 4.374 4.320 0.001 0.000 0.209 213 A C 0.917 178.486 177.584 -0.025 0.000 1.187 213 A CA 0.132 52.162 52.037 -0.011 0.000 0.823 213 A CB -0.279 18.697 19.000 -0.040 0.000 0.846 213 A HN 0.734 8.884 8.150 -0.000 0.000 0.486 214 Q N 0.073 119.829 119.800 -0.073 0.000 2.337 214 Q HA 0.322 4.663 4.340 0.001 0.000 0.270 214 Q C -0.974 174.997 176.000 -0.049 0.000 1.002 214 Q CA 0.068 55.815 55.803 -0.093 0.000 0.888 214 Q CB 1.260 29.890 28.738 -0.181 0.000 1.222 214 Q HN 0.185 8.455 8.270 -0.000 0.000 0.400 215 V N 2.136 121.994 119.914 -0.092 0.000 2.357 215 V HA 0.418 4.539 4.120 0.001 0.000 0.284 215 V C 0.269 176.170 176.094 -0.321 0.000 1.018 215 V CA 0.047 62.249 62.300 -0.164 0.000 0.841 215 V CB 0.806 32.549 31.823 -0.134 0.000 0.991 215 V HN 0.978 9.168 8.190 -0.000 0.000 0.437 216 A N 4.937 127.510 122.820 -0.413 0.000 2.846 216 A HA -0.162 4.159 4.320 0.001 0.000 0.287 216 A C 1.300 178.658 177.584 -0.376 0.000 1.469 216 A CA 0.971 52.681 52.037 -0.545 0.000 0.757 216 A CB -1.243 17.090 19.000 -1.111 0.000 1.033 216 A HN 0.682 8.832 8.150 -0.000 0.000 0.516 217 K N -0.281 119.911 120.400 -0.347 0.000 2.374 217 K HA 0.237 4.558 4.320 0.001 0.000 0.196 217 K C 0.621 176.971 176.600 -0.417 0.000 1.023 217 K CA 1.047 57.161 56.287 -0.289 0.000 1.103 217 K CB 0.459 32.869 32.500 -0.149 0.000 0.848 217 K HN 0.805 9.055 8.250 -0.000 0.000 0.528 218 S N -0.762 114.558 115.700 -0.633 0.000 2.541 218 S HA 0.602 5.073 4.470 0.001 0.000 0.280 218 S C -0.398 173.987 174.600 -0.359 0.000 1.112 218 S CA -0.457 57.400 58.200 -0.572 0.000 0.925 218 S CB 1.754 64.341 63.200 -1.023 0.000 1.067 218 S HN 0.108 8.418 8.310 -0.000 0.000 0.479 219 A N 2.685 125.380 122.820 -0.207 0.000 2.387 219 A HA 0.675 4.996 4.320 0.001 0.000 0.234 219 A C 0.864 178.392 177.584 -0.093 0.000 1.253 219 A CA 0.268 52.230 52.037 -0.126 0.000 0.894 219 A CB -0.438 18.520 19.000 -0.071 0.000 0.963 219 A HN 1.195 9.345 8.150 -0.000 0.000 0.508 220 A N 0.475 123.229 122.820 -0.109 0.000 2.396 220 A HA 0.530 4.850 4.320 0.001 0.000 0.279 220 A C -0.319 177.242 177.584 -0.038 0.000 1.165 220 A CA -0.023 51.987 52.037 -0.045 0.000 0.824 220 A CB -0.032 18.965 19.000 -0.006 0.000 1.100 220 A HN 0.430 8.580 8.150 -0.000 0.000 0.516 221 V N 6.105 126.008 119.914 -0.019 0.000 2.326 221 V HA 0.276 4.396 4.120 0.001 0.000 0.281 221 V C -2.481 173.613 176.094 -0.000 0.000 1.015 221 V CA -1.666 60.624 62.300 -0.017 0.000 0.823 221 V CB 1.380 33.195 31.823 -0.013 0.000 1.009 221 V HN 0.727 8.917 8.190 -0.000 0.000 0.436 222 P HA 0.227 4.647 4.420 -0.000 0.000 0.271 222 P C -0.666 176.698 177.300 0.107 0.000 1.226 222 P CA 0.191 63.292 63.100 0.001 0.000 0.765 222 P CB 0.887 32.449 31.700 -0.229 0.000 0.835 223 V N 4.825 124.852 119.914 0.189 0.000 2.604 223 V HA 0.249 4.370 4.120 0.001 0.000 0.305 223 V C 0.007 176.147 176.094 0.076 0.000 1.043 223 V CA -1.016 61.379 62.300 0.159 0.000 0.888 223 V CB 2.017 33.876 31.823 0.060 0.000 0.995 223 V HN 0.355 8.545 8.190 -0.000 0.000 0.429 224 L N 5.844 126.995 121.223 -0.120 0.000 2.418 224 L HA 0.362 4.703 4.340 0.001 0.000 0.274 224 L C 1.034 177.724 176.870 -0.301 0.000 1.135 224 L CA 0.956 55.437 54.840 -0.599 0.000 0.870 224 L CB 0.046 41.760 42.059 -0.574 0.000 1.154 224 L HN 0.577 8.807 8.230 -0.000 0.000 0.462 225 R N 3.858 124.177 120.500 -0.302 0.000 2.521 225 R HA 0.486 4.827 4.340 0.001 0.000 0.289 225 R C 0.282 176.487 176.300 -0.159 0.000 0.936 225 R CA 0.375 56.379 56.100 -0.159 0.000 1.089 225 R CB 1.010 31.256 30.300 -0.090 0.000 1.348 225 R HN 0.810 9.080 8.270 -0.000 0.000 0.536 226 G N 1.088 109.752 108.800 -0.227 0.000 2.340 226 G HA2 0.417 4.378 3.960 0.001 0.000 0.299 226 G HA3 0.417 4.378 3.960 0.001 0.000 0.299 226 G C -1.695 173.068 174.900 -0.228 0.000 1.291 226 G CA -0.906 44.084 45.100 -0.185 0.000 0.841 226 G HN 0.014 8.304 8.290 -0.000 0.000 0.500 227 R N -1.280 119.113 120.500 -0.178 0.000 2.626 227 R HA 0.754 5.095 4.340 0.001 0.000 0.274 227 R C -2.073 174.145 176.300 -0.137 0.000 1.031 227 R CA -0.876 55.123 56.100 -0.169 0.000 0.898 227 R CB 1.979 32.217 30.300 -0.104 0.000 1.222 227 R HN 1.128 9.398 8.270 -0.000 0.000 0.455 228 V N 1.917 121.747 119.914 -0.139 0.000 2.524 228 V HA 0.572 4.693 4.120 0.001 0.000 0.297 228 V C 0.671 176.794 176.094 0.047 0.000 1.035 228 V CA 0.956 63.222 62.300 -0.057 0.000 0.867 228 V CB 1.009 32.779 31.823 -0.089 0.000 1.004 228 V HN 1.156 9.346 8.190 -0.000 0.000 0.426 229 G N 6.157 114.982 108.800 0.043 0.000 2.622 229 G HA2 -0.315 3.646 3.960 0.001 0.000 0.307 229 G HA3 -0.315 3.646 3.960 0.001 0.000 0.307 229 G C 0.503 175.458 174.900 0.092 0.000 1.226 229 G CA 0.913 46.047 45.100 0.057 0.000 0.997 229 G HN 0.866 9.156 8.290 -0.000 0.000 0.551 230 E N 1.416 121.703 120.200 0.145 0.000 2.479 230 E HA 0.468 4.818 4.350 0.001 0.000 0.193 230 E C 1.129 177.885 176.600 0.260 0.000 1.049 230 E CA 0.290 56.796 56.400 0.176 0.000 0.870 230 E CB 0.341 30.131 29.700 0.150 0.000 0.944 230 E HN 0.744 9.104 8.360 -0.000 0.000 0.492 231 A N 1.292 124.254 122.820 0.236 0.000 2.310 231 A HA 0.467 4.787 4.320 0.001 0.000 0.299 231 A C -0.284 177.317 177.584 0.027 0.000 1.147 231 A CA -0.509 51.639 52.037 0.185 0.000 0.818 231 A CB 0.456 19.507 19.000 0.085 0.000 1.096 231 A HN 0.132 8.282 8.150 -0.000 0.000 0.495 232 L N 2.618 123.878 121.223 0.062 0.000 2.326 232 L HA 0.383 4.724 4.340 0.001 0.000 0.278 232 L C -0.455 176.286 176.870 -0.215 0.000 1.092 232 L CA -0.117 54.624 54.840 -0.166 0.000 0.810 232 L CB 1.035 42.964 42.059 -0.216 0.000 1.153 232 L HN 0.557 8.787 8.230 -0.000 0.000 0.439 233 I N 3.155 123.483 120.570 -0.404 0.000 2.312 233 I HA 0.291 4.462 4.170 0.001 0.000 0.290 233 I C -0.649 175.242 176.117 -0.377 0.000 1.008 233 I CA -0.156 60.970 61.300 -0.289 0.000 1.226 233 I CB 0.753 38.577 38.000 -0.294 0.000 1.371 233 I HN 0.324 8.534 8.210 -0.000 0.000 0.468 234 F N 6.126 126.040 119.950 -0.059 0.000 2.443 234 F HA 0.540 5.068 4.527 0.001 0.000 0.335 234 F C 0.355 176.132 175.800 -0.038 0.000 1.104 234 F CA -0.617 57.318 58.000 -0.108 0.000 1.013 234 F CB 1.394 40.247 39.000 -0.246 0.000 1.136 234 F HN 0.254 8.554 8.300 -0.000 0.000 0.470 235 K N 1.491 121.967 120.400 0.127 0.000 2.395 235 K HA 0.424 4.745 4.320 0.001 0.000 0.247 235 K C -0.818 175.827 176.600 0.076 0.000 0.973 235 K CA -1.143 55.196 56.287 0.087 0.000 0.828 235 K CB 2.584 35.113 32.500 0.048 0.000 1.272 235 K HN 0.602 8.852 8.250 -0.000 0.000 0.439 236 R N 0.859 121.394 120.500 0.058 0.000 2.442 236 R HA 0.282 4.622 4.340 0.001 0.000 0.291 236 R C -0.082 176.236 176.300 0.029 0.000 1.069 236 R CA 0.037 56.163 56.100 0.043 0.000 1.022 236 R CB 0.625 30.950 30.300 0.041 0.000 0.976 236 R HN 0.752 9.022 8.270 -0.000 0.000 0.443 237 A N 0.000 122.832 122.820 0.020 0.000 2.254 237 A HA 0.000 4.321 4.320 0.001 0.000 0.244 237 A CA 0.000 52.043 52.037 0.011 0.000 0.836 237 A CB 0.000 19.003 19.000 0.004 0.000 0.831 237 A HN 0.000 8.150 8.150 -0.000 0.000 0.486