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 3ezo_1_A DATA FIRST_RESID 0 DATA SEQUENCE MKFAFVFPGQ GSQSVGMLNA FADVAVVRET LDEASDALGQ DIGKLIADGP DATA SEQUENCE ADELNLTTNT QPVMLTAAYA CYRAWQQAGG AQPSIVAGHS LGEYTALVAA DATA SEQUENCE GAIAFRDALP LVRFRAQAMQ TAVPVGVGGM AAILGLDDDT VRAVCAEASA DATA SEQUENCE TGVVEAVNFN APAQVVIAGT KAGIEKACEI AKEKGAKRAL PLPVSAPFHS DATA SEQUENCE SLLKPASDKL REYLAGVDVK APKISVVNNI DVAVVSDPAA IKDALVRQAA DATA SEQUENCE GPVRWVECVQ HIAREGVTHV IECGPGKVLA GLTKRIDGNL VGASVFDPAS DATA SEQUENCE LDEALKL 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 0 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 0 M C 0.000 176.413 176.300 0.189 0.000 1.140 0 M CA 0.000 55.368 55.300 0.114 0.000 0.988 0 M CB 0.000 32.656 32.600 0.094 0.000 1.302 1 K N 1.997 122.458 120.400 0.103 0.000 2.218 1 K HA 0.881 5.201 4.320 0.001 0.000 0.276 1 K C -0.853 175.885 176.600 0.230 0.000 1.022 1 K CA -0.184 56.167 56.287 0.106 0.000 0.946 1 K CB 0.760 33.265 32.500 0.009 0.000 1.000 1 K HN 0.981 9.231 8.250 -0.000 0.000 0.468 2 F N -1.023 118.992 119.950 0.108 0.000 2.603 2 F HA 0.756 5.283 4.527 0.001 0.000 0.317 2 F C -0.967 174.912 175.800 0.131 0.000 1.066 2 F CA -1.351 56.742 58.000 0.155 0.000 0.941 2 F CB 1.246 40.395 39.000 0.249 0.000 1.291 2 F HN 0.415 8.715 8.300 -0.000 0.000 0.472 3 A N 1.860 124.860 122.820 0.300 0.000 2.340 3 A HA 0.790 5.110 4.320 0.001 0.000 0.331 3 A C -1.875 176.006 177.584 0.496 0.000 1.140 3 A CA -0.497 51.678 52.037 0.230 0.000 0.801 3 A CB 0.741 19.837 19.000 0.161 0.000 1.234 3 A HN 0.617 8.767 8.150 -0.000 0.000 0.469 4 F N 1.341 121.311 119.950 0.033 0.000 2.436 4 F HA 0.510 5.038 4.527 0.001 0.000 0.340 4 F C 0.338 176.045 175.800 -0.155 0.000 1.113 4 F CA -1.100 56.822 58.000 -0.129 0.000 1.022 4 F CB 2.093 40.967 39.000 -0.210 0.000 1.128 4 F HN 0.471 8.771 8.300 -0.000 0.000 0.466 5 V N 1.489 121.331 119.914 -0.120 0.000 2.555 5 V HA 0.657 4.777 4.120 0.001 0.000 0.302 5 V C -1.056 174.903 176.094 -0.224 0.000 1.038 5 V CA -0.934 61.404 62.300 0.063 0.000 0.887 5 V CB 1.488 33.545 31.823 0.391 0.000 0.991 5 V HN 0.467 8.657 8.190 -0.000 0.000 0.434 6 F N 5.518 125.560 119.950 0.153 0.000 2.444 6 F HA 0.710 5.237 4.527 0.001 0.000 0.342 6 F C -2.034 173.766 175.800 0.000 0.000 1.121 6 F CA -2.398 55.648 58.000 0.077 0.000 0.997 6 F CB 2.281 41.341 39.000 0.101 0.000 1.130 6 F HN 0.404 8.704 8.300 -0.000 0.000 0.454 7 P HA 0.306 4.726 4.420 -0.000 0.000 0.274 7 P C -0.262 177.057 177.300 0.031 0.000 1.246 7 P CA -0.065 63.030 63.100 -0.009 0.000 0.795 7 P CB 1.526 33.209 31.700 -0.028 0.000 1.006 8 G N 0.226 109.007 108.800 -0.033 0.000 3.122 8 G HA2 0.263 4.223 3.960 0.001 0.000 0.180 8 G HA3 0.263 4.223 3.960 0.001 0.000 0.180 8 G C -0.654 174.237 174.900 -0.014 0.000 1.279 8 G CA -0.618 44.490 45.100 0.013 0.000 0.987 8 G HN 0.484 8.774 8.290 -0.000 0.000 0.589 9 Q N -0.596 119.205 119.800 0.003 0.000 2.349 9 Q HA 0.365 4.706 4.340 0.001 0.000 0.287 9 Q C 1.107 177.096 176.000 -0.020 0.000 1.044 9 Q CA 1.403 57.209 55.803 0.004 0.000 0.918 9 Q CB 0.799 29.559 28.738 0.037 0.000 1.242 9 Q HN 1.224 9.494 8.270 -0.000 0.000 0.405 10 G N 0.931 109.720 108.800 -0.018 0.000 2.195 10 G HA2 -0.248 3.713 3.960 0.001 0.000 0.224 10 G HA3 -0.248 3.713 3.960 0.001 0.000 0.224 10 G C 0.710 175.577 174.900 -0.054 0.000 0.990 10 G CA 0.254 45.332 45.100 -0.037 0.000 0.639 10 G HN 0.540 8.830 8.290 -0.000 0.000 0.514 11 S N 1.122 116.791 115.700 -0.052 0.000 2.540 11 S HA 0.188 4.658 4.470 0.001 0.000 0.218 11 S C 1.076 175.656 174.600 -0.033 0.000 0.977 11 S CA 0.583 58.749 58.200 -0.057 0.000 0.918 11 S CB 0.249 63.413 63.200 -0.062 0.000 0.806 11 S HN 0.868 9.178 8.310 -0.000 0.000 0.496 12 Q N 2.167 121.957 119.800 -0.016 0.000 2.312 12 Q HA 0.567 4.907 4.340 0.001 0.000 0.236 12 Q C -0.454 175.541 176.000 -0.009 0.000 0.965 12 Q CA -0.236 55.567 55.803 0.000 0.000 0.894 12 Q CB 0.978 29.724 28.738 0.013 0.000 1.225 12 Q HN 0.195 8.465 8.270 -0.000 0.000 0.478 13 S N -0.713 114.988 115.700 0.000 0.000 2.552 13 S HA 0.397 4.867 4.470 0.001 0.000 0.272 13 S C -0.707 173.899 174.600 0.010 0.000 1.150 13 S CA -0.971 57.227 58.200 -0.003 0.000 0.849 13 S CB 0.843 64.032 63.200 -0.018 0.000 1.113 13 S HN 0.427 8.737 8.310 -0.000 0.000 0.458 14 V N 2.092 122.011 119.914 0.009 0.000 2.585 14 V HA 0.516 4.637 4.120 0.001 0.000 0.296 14 V C 1.613 177.719 176.094 0.019 0.000 1.035 14 V CA 1.530 63.840 62.300 0.016 0.000 1.084 14 V CB 0.066 31.896 31.823 0.011 0.000 0.953 14 V HN 1.965 10.155 8.190 -0.000 0.000 0.483 15 G N 4.377 113.196 108.800 0.030 0.000 2.176 15 G HA2 -0.327 3.633 3.960 0.001 0.000 0.253 15 G HA3 -0.327 3.633 3.960 0.001 0.000 0.253 15 G C 0.742 175.670 174.900 0.046 0.000 0.979 15 G CA 0.523 45.644 45.100 0.035 0.000 0.641 15 G HN 0.870 9.160 8.290 -0.000 0.000 0.530 16 M N -0.975 118.656 119.600 0.051 0.000 2.358 16 M HA 0.309 4.789 4.480 0.001 0.000 0.264 16 M C 1.846 178.216 176.300 0.118 0.000 1.064 16 M CA 1.666 57.005 55.300 0.065 0.000 1.093 16 M CB -0.259 32.375 32.600 0.057 0.000 1.401 16 M HN 0.184 8.474 8.290 -0.000 0.000 0.440 17 L N 0.707 122.011 121.223 0.136 0.000 2.700 17 L HA 0.164 4.504 4.340 0.001 0.000 0.234 17 L C 1.164 178.135 176.870 0.167 0.000 1.156 17 L CA -0.496 54.467 54.840 0.206 0.000 0.946 17 L CB -0.589 41.596 42.059 0.210 0.000 1.216 17 L HN 0.263 8.493 8.230 -0.000 0.000 0.493 18 N N 1.509 120.269 118.700 0.099 0.000 2.149 18 N HA -0.170 4.571 4.740 0.001 0.000 0.188 18 N C 1.959 177.504 175.510 0.058 0.000 1.019 18 N CA 1.527 54.620 53.050 0.072 0.000 0.857 18 N CB -0.055 38.458 38.487 0.044 0.000 0.997 18 N HN 0.339 8.719 8.380 -0.000 0.000 0.426 19 A N -0.639 122.186 122.820 0.010 0.000 2.121 19 A HA -0.015 4.305 4.320 0.001 0.000 0.218 19 A C 1.181 178.717 177.584 -0.081 0.000 1.154 19 A CA 0.708 52.699 52.037 -0.077 0.000 0.679 19 A CB -0.471 18.427 19.000 -0.169 0.000 0.795 19 A HN 0.173 8.323 8.150 -0.000 0.000 0.458 20 F N -0.745 119.227 119.950 0.038 0.000 2.693 20 F HA 0.365 4.892 4.527 0.001 0.000 0.303 20 F C 2.167 177.982 175.800 0.026 0.000 1.097 20 F CA -0.524 57.493 58.000 0.028 0.000 1.330 20 F CB -0.371 38.651 39.000 0.038 0.000 1.067 20 F HN 0.243 8.543 8.300 -0.000 0.000 0.565 21 A N -0.542 122.391 122.820 0.189 0.000 2.032 21 A HA -0.179 4.142 4.320 0.001 0.000 0.221 21 A C 1.425 179.068 177.584 0.098 0.000 1.165 21 A CA 1.975 54.086 52.037 0.122 0.000 0.645 21 A CB -0.379 18.669 19.000 0.081 0.000 0.807 21 A HN 0.183 8.333 8.150 -0.000 0.000 0.453 22 D N -0.776 119.685 120.400 0.102 0.000 2.501 22 D HA 0.275 4.916 4.640 0.001 0.000 0.226 22 D C -0.650 175.696 176.300 0.078 0.000 1.198 22 D CA 0.051 54.095 54.000 0.073 0.000 0.830 22 D CB 0.640 41.471 40.800 0.053 0.000 1.014 22 D HN 0.092 8.462 8.370 -0.000 0.000 0.496 23 V N 1.560 121.535 119.914 0.103 0.000 2.350 23 V HA 0.325 4.445 4.120 0.001 0.000 0.276 23 V C 1.476 177.577 176.094 0.010 0.000 1.028 23 V CA -0.418 61.922 62.300 0.066 0.000 0.860 23 V CB 1.351 33.237 31.823 0.104 0.000 0.990 23 V HN 0.128 8.318 8.190 -0.000 0.000 0.453 24 A N 5.103 127.923 122.820 0.001 0.000 1.917 24 A HA -0.132 4.188 4.320 0.001 0.000 0.219 24 A C 2.094 179.663 177.584 -0.025 0.000 1.182 24 A CA 2.402 54.436 52.037 -0.005 0.000 0.633 24 A CB -0.520 18.477 19.000 -0.005 0.000 0.819 24 A HN 1.157 9.307 8.150 -0.000 0.000 0.448 25 V N -2.514 117.366 119.914 -0.057 0.000 2.626 25 V HA -0.136 3.984 4.120 0.001 0.000 0.252 25 V C 2.166 178.198 176.094 -0.104 0.000 1.067 25 V CA 1.844 64.094 62.300 -0.082 0.000 1.081 25 V CB -1.262 30.486 31.823 -0.125 0.000 0.686 25 V HN 0.212 8.402 8.190 -0.000 0.000 0.468 26 V N 0.661 120.496 119.914 -0.133 0.000 2.307 26 V HA -0.176 3.944 4.120 0.001 0.000 0.245 26 V C 2.951 179.030 176.094 -0.025 0.000 1.045 26 V CA 2.384 64.606 62.300 -0.130 0.000 1.024 26 V CB -0.863 30.847 31.823 -0.188 0.000 0.651 26 V HN 0.463 8.653 8.190 -0.000 0.000 0.449 27 R N 0.098 120.598 120.500 0.001 0.000 2.091 27 R HA -0.211 4.129 4.340 0.001 0.000 0.238 27 R C 2.258 178.581 176.300 0.039 0.000 1.136 27 R CA 1.915 58.032 56.100 0.030 0.000 0.959 27 R CB -0.349 29.969 30.300 0.030 0.000 0.856 27 R HN 0.638 8.908 8.270 -0.000 0.000 0.437 28 E N -0.455 119.763 120.200 0.029 0.000 2.152 28 E HA -0.093 4.258 4.350 0.001 0.000 0.192 28 E C 1.852 178.507 176.600 0.092 0.000 0.983 28 E CA 1.354 57.784 56.400 0.050 0.000 0.818 28 E CB 0.034 29.756 29.700 0.036 0.000 0.758 28 E HN 0.295 8.655 8.360 -0.000 0.000 0.467 29 T N 1.547 116.148 114.554 0.078 0.000 2.777 29 T HA -0.080 4.271 4.350 0.001 0.000 0.266 29 T C 1.951 176.792 174.700 0.235 0.000 1.040 29 T CA 0.716 62.913 62.100 0.162 0.000 1.141 29 T CB -0.118 68.755 68.868 0.009 0.000 0.868 29 T HN 0.077 8.317 8.240 -0.000 0.000 0.444 30 L N 0.849 122.158 121.223 0.143 0.000 2.093 30 L HA -0.093 4.247 4.340 0.001 0.000 0.208 30 L C 2.495 179.435 176.870 0.117 0.000 1.085 30 L CA 1.044 55.965 54.840 0.134 0.000 0.755 30 L CB -0.500 41.616 42.059 0.095 0.000 0.904 30 L HN 0.167 8.397 8.230 -0.000 0.000 0.435 31 D N -0.160 120.301 120.400 0.101 0.000 2.117 31 D HA -0.220 4.421 4.640 0.001 0.000 0.198 31 D C 2.011 178.364 176.300 0.088 0.000 0.982 31 D CA 1.231 55.280 54.000 0.081 0.000 0.828 31 D CB 0.077 40.917 40.800 0.067 0.000 0.967 31 D HN 0.399 8.769 8.370 -0.000 0.000 0.464 32 E N 0.722 121.001 120.200 0.132 0.000 2.051 32 E HA -0.165 4.185 4.350 0.001 0.000 0.192 32 E C 2.017 178.651 176.600 0.057 0.000 0.991 32 E CA 1.106 57.581 56.400 0.125 0.000 0.799 32 E CB 0.018 29.863 29.700 0.241 0.000 0.748 32 E HN 0.134 8.494 8.360 -0.000 0.000 0.449 33 A N 0.553 123.437 122.820 0.107 0.000 1.908 33 A HA -0.192 4.128 4.320 0.001 0.000 0.218 33 A C 2.389 179.977 177.584 0.007 0.000 1.181 33 A CA 1.988 54.036 52.037 0.018 0.000 0.627 33 A CB -0.658 18.425 19.000 0.139 0.000 0.818 33 A HN 0.318 8.468 8.150 -0.000 0.000 0.445 34 S N -0.266 115.458 115.700 0.039 0.000 2.368 34 S HA -0.169 4.301 4.470 0.001 0.000 0.225 34 S C 1.790 176.397 174.600 0.013 0.000 1.030 34 S CA 1.485 59.702 58.200 0.027 0.000 0.999 34 S CB -0.445 62.777 63.200 0.037 0.000 0.844 34 S HN 0.777 9.087 8.310 -0.000 0.000 0.459 35 D N 1.687 122.096 120.400 0.015 0.000 2.117 35 D HA -0.056 4.584 4.640 0.001 0.000 0.197 35 D C 1.942 178.235 176.300 -0.012 0.000 0.987 35 D CA 1.366 55.370 54.000 0.006 0.000 0.829 35 D CB -0.337 40.472 40.800 0.014 0.000 0.961 35 D HN 0.306 8.676 8.370 -0.000 0.000 0.460 36 A N -0.266 122.532 122.820 -0.036 0.000 1.930 36 A HA -0.003 4.318 4.320 0.001 0.000 0.217 36 A C 2.307 179.866 177.584 -0.041 0.000 1.175 36 A CA 1.082 53.084 52.037 -0.059 0.000 0.627 36 A CB -0.510 18.412 19.000 -0.129 0.000 0.815 36 A HN 0.388 8.538 8.150 -0.000 0.000 0.443 37 L N -2.211 118.992 121.223 -0.033 0.000 2.556 37 L HA 0.280 4.620 4.340 0.001 0.000 0.226 37 L C 1.710 178.576 176.870 -0.006 0.000 1.089 37 L CA 0.543 55.370 54.840 -0.021 0.000 0.864 37 L CB 0.081 42.126 42.059 -0.022 0.000 1.067 37 L HN 0.549 8.779 8.230 -0.000 0.000 0.477 38 G N 0.717 109.516 108.800 -0.002 0.000 2.176 38 G HA2 -0.274 3.687 3.960 0.001 0.000 0.253 38 G HA3 -0.274 3.687 3.960 0.001 0.000 0.253 38 G C 0.135 175.039 174.900 0.007 0.000 0.979 38 G CA 0.500 45.603 45.100 0.004 0.000 0.641 38 G HN 0.503 8.793 8.290 -0.000 0.000 0.530 39 Q N -0.447 119.358 119.800 0.009 0.000 2.484 39 Q HA 0.620 4.960 4.340 0.001 0.000 0.285 39 Q C -1.383 174.629 176.000 0.020 0.000 1.097 39 Q CA -0.994 54.817 55.803 0.013 0.000 0.802 39 Q CB 1.600 30.345 28.738 0.011 0.000 1.444 39 Q HN -0.026 8.244 8.270 -0.000 0.000 0.429 40 D N 2.084 122.497 120.400 0.022 0.000 2.398 40 D HA 0.055 4.696 4.640 0.001 0.000 0.250 40 D C 0.801 177.123 176.300 0.035 0.000 1.287 40 D CA -0.013 54.004 54.000 0.029 0.000 0.992 40 D CB 0.430 41.246 40.800 0.027 0.000 1.071 40 D HN 0.563 8.933 8.370 -0.000 0.000 0.514 41 I N 2.907 123.503 120.570 0.044 0.000 2.353 41 I HA -0.105 4.066 4.170 0.001 0.000 0.248 41 I C 2.390 178.544 176.117 0.061 0.000 1.119 41 I CA 0.703 62.035 61.300 0.053 0.000 1.417 41 I CB -1.322 36.719 38.000 0.068 0.000 1.078 41 I HN 0.420 8.630 8.210 -0.000 0.000 0.421 42 G N 1.567 110.406 108.800 0.064 0.000 2.529 42 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 42 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 42 G C 1.773 176.705 174.900 0.054 0.000 1.177 42 G CA 0.653 45.792 45.100 0.064 0.000 0.773 42 G HN 0.261 8.551 8.290 -0.000 0.000 0.573 43 K N -0.154 120.273 120.400 0.044 0.000 2.103 43 K HA 0.084 4.405 4.320 0.001 0.000 0.204 43 K C 2.416 179.037 176.600 0.034 0.000 1.052 43 K CA 0.503 56.812 56.287 0.036 0.000 0.945 43 K CB -0.600 31.918 32.500 0.030 0.000 0.722 43 K HN 0.340 8.590 8.250 -0.000 0.000 0.443 44 L N 1.776 123.019 121.223 0.034 0.000 2.013 44 L HA -0.164 4.176 4.340 0.001 0.000 0.212 44 L C 2.044 178.935 176.870 0.034 0.000 1.073 44 L CA 1.612 56.470 54.840 0.030 0.000 0.753 44 L CB -0.442 41.635 42.059 0.029 0.000 0.890 44 L HN 0.063 8.293 8.230 -0.000 0.000 0.432 45 I N -0.594 120.002 120.570 0.044 0.000 2.252 45 I HA -0.240 3.930 4.170 0.001 0.000 0.245 45 I C 2.554 178.698 176.117 0.045 0.000 1.102 45 I CA 1.141 62.471 61.300 0.049 0.000 1.385 45 I CB -0.658 37.383 38.000 0.068 0.000 1.064 45 I HN 0.372 8.582 8.210 -0.000 0.000 0.414 46 A N 0.054 122.902 122.820 0.046 0.000 1.929 46 A HA -0.160 4.160 4.320 0.001 0.000 0.216 46 A C 1.756 179.359 177.584 0.031 0.000 1.176 46 A CA 1.819 53.882 52.037 0.042 0.000 0.628 46 A CB -0.225 18.801 19.000 0.044 0.000 0.816 46 A HN 0.358 8.508 8.150 -0.000 0.000 0.444 47 D N -2.412 118.004 120.400 0.027 0.000 2.479 47 D HA 0.321 4.962 4.640 0.001 0.000 0.221 47 D C 1.427 177.737 176.300 0.017 0.000 1.104 47 D CA 1.054 55.066 54.000 0.021 0.000 0.849 47 D CB 0.435 41.246 40.800 0.020 0.000 1.072 47 D HN 0.481 8.851 8.370 -0.000 0.000 0.502 48 G N 1.694 110.506 108.800 0.019 0.000 2.561 48 G HA2 -0.284 3.677 3.960 0.001 0.000 0.289 48 G HA3 -0.284 3.677 3.960 0.001 0.000 0.289 48 G C -2.097 172.810 174.900 0.012 0.000 1.169 48 G CA -0.316 44.793 45.100 0.015 0.000 0.980 48 G HN 0.201 8.491 8.290 -0.000 0.000 0.550 49 P HA 0.437 4.857 4.420 -0.000 0.000 0.271 49 P C 1.105 178.408 177.300 0.006 0.000 1.244 49 P CA 0.863 63.967 63.100 0.006 0.000 0.793 49 P CB 0.169 31.872 31.700 0.004 0.000 0.984 50 A N 1.663 124.485 122.820 0.003 0.000 1.978 50 A HA -0.237 4.083 4.320 0.001 0.000 0.220 50 A C 1.728 179.313 177.584 0.001 0.000 1.170 50 A CA 2.209 54.247 52.037 0.002 0.000 0.636 50 A CB -1.422 17.577 19.000 -0.002 0.000 0.810 50 A HN 0.702 8.852 8.150 -0.000 0.000 0.448 51 D N -0.149 120.251 120.400 -0.000 0.000 2.178 51 D HA -0.175 4.466 4.640 0.001 0.000 0.202 51 D C 1.390 177.689 176.300 -0.000 0.000 0.974 51 D CA 1.418 55.417 54.000 -0.002 0.000 0.841 51 D CB -0.492 40.306 40.800 -0.003 0.000 0.953 51 D HN 0.443 8.813 8.370 -0.000 0.000 0.478 52 E N 0.157 120.358 120.200 0.002 0.000 2.046 52 E HA -0.065 4.285 4.350 0.001 0.000 0.190 52 E C 2.255 178.858 176.600 0.005 0.000 0.982 52 E CA 0.259 56.661 56.400 0.003 0.000 0.800 52 E CB -0.544 29.159 29.700 0.005 0.000 0.756 52 E HN 0.296 8.656 8.360 -0.000 0.000 0.449 53 L N 1.871 123.099 121.223 0.007 0.000 2.131 53 L HA -0.085 4.255 4.340 0.001 0.000 0.210 53 L C 1.271 178.146 176.870 0.008 0.000 1.092 53 L CA 1.466 56.313 54.840 0.011 0.000 0.759 53 L CB -0.319 41.748 42.059 0.013 0.000 0.903 53 L HN -0.029 8.201 8.230 -0.000 0.000 0.435 54 N N -0.415 118.288 118.700 0.005 0.000 2.398 54 N HA 0.108 4.848 4.740 0.001 0.000 0.188 54 N C -0.006 175.508 175.510 0.007 0.000 1.122 54 N CA 0.152 53.205 53.050 0.005 0.000 0.866 54 N CB -0.184 38.304 38.487 0.002 0.000 0.970 54 N HN 0.308 8.688 8.380 -0.000 0.000 0.462 55 L N 1.229 122.454 121.223 0.003 0.000 2.462 55 L HA 0.035 4.376 4.340 0.001 0.000 0.272 55 L C 2.063 178.934 176.870 0.002 0.000 1.166 55 L CA -0.201 54.640 54.840 0.002 0.000 0.880 55 L CB 0.574 42.630 42.059 -0.004 0.000 1.142 55 L HN 0.136 8.366 8.230 -0.000 0.000 0.473 56 T N -2.350 112.212 114.554 0.012 0.000 2.759 56 T HA -0.203 4.147 4.350 0.001 0.000 0.269 56 T C 1.653 176.331 174.700 -0.037 0.000 1.042 56 T CA 1.618 63.722 62.100 0.007 0.000 1.140 56 T CB -0.552 68.349 68.868 0.056 0.000 0.864 56 T HN 0.794 9.034 8.240 -0.000 0.000 0.455 57 T N 0.144 114.672 114.554 -0.043 0.000 2.929 57 T HA -0.048 4.302 4.350 0.001 0.000 0.271 57 T C 1.833 176.504 174.700 -0.047 0.000 1.085 57 T CA 1.131 63.194 62.100 -0.063 0.000 1.125 57 T CB -0.390 68.444 68.868 -0.057 0.000 0.874 57 T HN 0.364 8.604 8.240 -0.000 0.000 0.494 58 N N 0.801 119.485 118.700 -0.028 0.000 2.436 58 N HA 0.057 4.797 4.740 0.001 0.000 0.178 58 N C 2.087 177.591 175.510 -0.010 0.000 1.026 58 N CA 1.276 54.317 53.050 -0.015 0.000 0.880 58 N CB -0.686 37.799 38.487 -0.003 0.000 1.061 58 N HN 0.385 8.765 8.380 -0.000 0.000 0.434 59 T N 1.981 116.529 114.554 -0.010 0.000 2.720 59 T HA -0.141 4.209 4.350 0.001 0.000 0.268 59 T C 1.877 176.569 174.700 -0.013 0.000 1.037 59 T CA 1.269 63.367 62.100 -0.002 0.000 1.144 59 T CB -0.164 68.706 68.868 0.004 0.000 0.864 59 T HN 0.315 8.555 8.240 -0.000 0.000 0.444 60 Q N 0.261 120.033 119.800 -0.047 0.000 2.016 60 Q HA -0.058 4.282 4.340 0.001 0.000 0.200 60 Q C -0.415 175.554 176.000 -0.052 0.000 0.978 60 Q CA 1.356 57.112 55.803 -0.077 0.000 0.833 60 Q CB -1.046 27.598 28.738 -0.156 0.000 0.895 60 Q HN 0.455 8.725 8.270 -0.000 0.000 0.427 61 P HA -0.090 4.330 4.420 -0.000 0.000 0.219 61 P C 1.511 178.843 177.300 0.052 0.000 1.150 61 P CA 0.990 64.084 63.100 -0.011 0.000 0.814 61 P CB -0.048 31.632 31.700 -0.034 0.000 0.787 62 V N -0.350 119.590 119.914 0.043 0.000 2.343 62 V HA -0.225 3.895 4.120 0.001 0.000 0.247 62 V C 2.528 178.678 176.094 0.094 0.000 1.051 62 V CA 1.728 64.071 62.300 0.071 0.000 1.036 62 V CB -1.025 30.827 31.823 0.049 0.000 0.654 62 V HN 0.064 8.254 8.190 -0.000 0.000 0.451 63 M N -1.126 118.518 119.600 0.073 0.000 2.288 63 M HA -0.010 4.471 4.480 0.001 0.000 0.266 63 M C 2.086 178.464 176.300 0.130 0.000 1.072 63 M CA 1.398 56.751 55.300 0.088 0.000 1.132 63 M CB -1.127 31.506 32.600 0.057 0.000 1.386 63 M HN 0.374 8.664 8.290 -0.000 0.000 0.432 64 L N 0.232 121.534 121.223 0.130 0.000 2.017 64 L HA -0.144 4.196 4.340 0.001 0.000 0.208 64 L C 2.212 179.258 176.870 0.293 0.000 1.073 64 L CA 1.826 56.777 54.840 0.185 0.000 0.745 64 L CB -0.866 41.293 42.059 0.166 0.000 0.894 64 L HN 0.218 8.448 8.230 -0.000 0.000 0.432 65 T N -0.021 114.731 114.554 0.331 0.000 2.708 65 T HA -0.174 4.176 4.350 0.001 0.000 0.266 65 T C 1.880 176.712 174.700 0.220 0.000 1.037 65 T CA 1.488 63.821 62.100 0.388 0.000 1.146 65 T CB -0.597 68.477 68.868 0.342 0.000 0.865 65 T HN 0.545 8.785 8.240 -0.000 0.000 0.435 66 A N 1.344 124.276 122.820 0.186 0.000 1.873 66 A HA 0.222 4.542 4.320 0.001 0.000 0.215 66 A C 2.635 180.326 177.584 0.178 0.000 1.186 66 A CA 1.782 53.916 52.037 0.161 0.000 0.616 66 A CB -1.103 17.986 19.000 0.149 0.000 0.823 66 A HN 0.502 8.652 8.150 -0.000 0.000 0.442 67 A N -1.804 121.145 122.820 0.216 0.000 1.898 67 A HA -0.070 4.251 4.320 0.001 0.000 0.216 67 A C 2.154 179.946 177.584 0.348 0.000 1.181 67 A CA 1.622 53.840 52.037 0.301 0.000 0.620 67 A CB -0.757 18.464 19.000 0.369 0.000 0.819 67 A HN 0.629 8.779 8.150 -0.000 0.000 0.442 68 Y N 0.697 121.041 120.300 0.074 0.000 2.242 68 Y HA -0.037 4.513 4.550 0.001 0.000 0.291 68 Y C 2.678 178.542 175.900 -0.061 0.000 1.137 68 Y CA 0.648 58.710 58.100 -0.063 0.000 1.181 68 Y CB -0.693 37.511 38.460 -0.427 0.000 0.989 68 Y HN 0.320 8.600 8.280 -0.000 0.000 0.527 69 A N -0.836 121.899 122.820 -0.141 0.000 1.917 69 A HA -0.282 4.039 4.320 0.001 0.000 0.219 69 A C 2.424 179.859 177.584 -0.249 0.000 1.182 69 A CA 2.051 53.953 52.037 -0.225 0.000 0.633 69 A CB -1.596 17.337 19.000 -0.111 0.000 0.819 69 A HN 0.601 8.751 8.150 -0.000 0.000 0.448 70 C N -2.719 116.541 119.300 -0.067 0.000 2.435 70 C HA -0.035 4.426 4.460 0.001 0.000 0.279 70 C C 2.467 177.531 174.990 0.122 0.000 1.321 70 C CA 0.907 59.926 59.018 0.001 0.000 1.752 70 C CB -1.540 26.323 27.740 0.205 0.000 1.959 70 C HN 0.718 8.948 8.230 -0.000 0.000 0.500 71 Y N 1.681 122.032 120.300 0.086 0.000 2.163 71 Y HA -0.122 4.428 4.550 0.001 0.000 0.288 71 Y C 2.666 178.594 175.900 0.047 0.000 1.136 71 Y CA 1.558 59.785 58.100 0.212 0.000 1.147 71 Y CB -0.401 38.261 38.460 0.337 0.000 0.987 71 Y HN 0.175 8.455 8.280 -0.000 0.000 0.509 72 R N -0.303 120.041 120.500 -0.260 0.000 2.096 72 R HA -0.153 4.188 4.340 0.001 0.000 0.235 72 R C 2.455 178.629 176.300 -0.210 0.000 1.127 72 R CA 1.081 56.992 56.100 -0.315 0.000 0.968 72 R CB -0.554 29.487 30.300 -0.432 0.000 0.861 72 R HN 0.429 8.699 8.270 -0.000 0.000 0.440 73 A N 1.076 123.770 122.820 -0.210 0.000 1.902 73 A HA -0.199 4.122 4.320 0.001 0.000 0.217 73 A C 1.878 179.451 177.584 -0.019 0.000 1.181 73 A CA 1.011 52.943 52.037 -0.176 0.000 0.623 73 A CB -0.938 17.831 19.000 -0.386 0.000 0.818 73 A HN 0.638 8.788 8.150 -0.000 0.000 0.443 74 W N 0.875 122.096 121.300 -0.133 0.000 2.335 74 W HA -0.253 4.408 4.660 0.001 0.000 0.311 74 W C 1.997 178.428 176.519 -0.146 0.000 1.213 74 W CA 2.188 59.488 57.345 -0.076 0.000 1.274 74 W CB -0.462 29.017 29.460 0.033 0.000 1.148 74 W HN 0.528 8.708 8.180 -0.000 0.000 0.498 75 Q N 0.010 119.727 119.800 -0.139 0.000 2.050 75 Q HA -0.306 4.035 4.340 0.001 0.000 0.202 75 Q C 2.412 178.298 176.000 -0.190 0.000 0.980 75 Q CA 1.988 57.665 55.803 -0.210 0.000 0.840 75 Q CB -0.808 27.826 28.738 -0.172 0.000 0.898 75 Q HN 0.410 8.680 8.270 -0.000 0.000 0.424 76 Q N 0.152 119.863 119.800 -0.148 0.000 2.197 76 Q HA -0.180 4.160 4.340 0.001 0.000 0.207 76 Q C 1.597 177.519 176.000 -0.130 0.000 0.984 76 Q CA 1.409 57.141 55.803 -0.118 0.000 0.869 76 Q CB -0.082 28.598 28.738 -0.098 0.000 0.906 76 Q HN 0.380 8.650 8.270 -0.000 0.000 0.426 77 A N -0.639 122.078 122.820 -0.171 0.000 2.235 77 A HA 0.238 4.558 4.320 0.001 0.000 0.208 77 A C 1.375 178.796 177.584 -0.272 0.000 1.172 77 A CA 0.919 52.838 52.037 -0.196 0.000 0.786 77 A CB -0.309 18.574 19.000 -0.196 0.000 0.804 77 A HN 0.610 8.760 8.150 -0.000 0.000 0.479 78 G N -1.739 106.886 108.800 -0.290 0.000 2.132 78 G HA2 -0.029 3.931 3.960 0.001 0.000 0.234 78 G HA3 -0.029 3.931 3.960 0.001 0.000 0.234 78 G C 0.646 175.289 174.900 -0.428 0.000 0.989 78 G CA 0.182 45.112 45.100 -0.283 0.000 0.676 78 G HN 1.387 9.677 8.290 -0.000 0.000 0.522 79 G N 0.117 108.438 108.800 -0.797 0.000 2.442 79 G HA2 0.677 4.638 3.960 0.001 0.000 0.249 79 G HA3 0.677 4.638 3.960 0.001 0.000 0.249 79 G C 0.662 175.347 174.900 -0.357 0.000 1.263 79 G CA 0.759 45.090 45.100 -1.282 0.000 0.846 79 G HN 1.548 9.838 8.290 -0.000 0.000 0.555 80 A N 1.697 124.589 122.820 0.120 0.000 2.346 80 A HA 0.436 4.757 4.320 0.001 0.000 0.252 80 A C 0.694 178.585 177.584 0.512 0.000 1.089 80 A CA -0.307 51.929 52.037 0.332 0.000 0.797 80 A CB 0.357 19.603 19.000 0.409 0.000 1.047 80 A HN 0.733 8.883 8.150 -0.000 0.000 0.494 81 Q N 1.145 121.079 119.800 0.223 0.000 2.313 81 Q HA 0.238 4.578 4.340 0.001 0.000 0.266 81 Q C -2.065 173.787 176.000 -0.246 0.000 0.989 81 Q CA -1.625 54.233 55.803 0.092 0.000 0.890 81 Q CB 0.536 29.315 28.738 0.068 0.000 1.200 81 Q HN 0.532 8.802 8.270 -0.000 0.000 0.396 82 P HA -0.041 4.379 4.420 -0.000 0.000 0.271 82 P C -0.265 176.734 177.300 -0.502 0.000 1.233 82 P CA 0.057 62.546 63.100 -1.017 0.000 0.789 82 P CB 0.924 32.221 31.700 -0.672 0.000 0.951 83 S N 0.607 116.032 115.700 -0.458 0.000 2.501 83 S HA 0.180 4.650 4.470 0.001 0.000 0.220 83 S C 0.846 175.382 174.600 -0.105 0.000 0.997 83 S CA 0.084 58.159 58.200 -0.209 0.000 0.919 83 S CB -0.248 62.857 63.200 -0.158 0.000 0.778 83 S HN 0.559 8.869 8.310 -0.000 0.000 0.523 84 I N 1.090 121.608 120.570 -0.087 0.000 2.787 84 I HA 0.523 4.694 4.170 0.001 0.000 0.294 84 I C -1.784 174.364 176.117 0.052 0.000 1.365 84 I CA -1.144 60.155 61.300 -0.002 0.000 1.029 84 I CB 2.154 40.172 38.000 0.029 0.000 1.313 84 I HN 0.094 8.304 8.210 -0.000 0.000 0.431 85 V N 3.337 123.310 119.914 0.097 0.000 3.102 85 V HA 1.093 5.214 4.120 0.001 0.000 0.312 85 V C -0.682 175.531 176.094 0.199 0.000 1.135 85 V CA -0.167 62.258 62.300 0.207 0.000 1.022 85 V CB 1.403 33.403 31.823 0.295 0.000 1.056 85 V HN 1.131 9.321 8.190 -0.000 0.000 0.436 86 A N 0.431 123.444 122.820 0.322 0.000 2.601 86 A HA 1.035 5.355 4.320 0.001 0.000 0.291 86 A C -0.322 177.601 177.584 0.565 0.000 1.075 86 A CA -0.180 52.069 52.037 0.353 0.000 0.671 86 A CB 1.408 20.553 19.000 0.243 0.000 1.277 86 A HN 2.374 10.524 8.150 -0.000 0.000 0.417 87 G N -0.488 108.623 108.800 0.517 0.000 2.704 87 G HA2 0.534 4.494 3.960 0.001 0.000 0.293 87 G HA3 0.534 4.494 3.960 0.001 0.000 0.293 87 G C -1.590 173.406 174.900 0.160 0.000 1.421 87 G CA -0.461 44.860 45.100 0.368 0.000 0.870 87 G HN 0.905 9.195 8.290 -0.000 0.000 0.492 88 H N 1.422 120.309 119.070 -0.304 0.000 2.761 88 H HA 0.471 5.027 4.556 0.000 0.000 0.284 88 H C 1.085 176.332 175.328 -0.135 0.000 1.105 88 H CA 1.076 56.861 56.048 -0.438 0.000 1.352 88 H CB 0.866 30.106 29.762 -0.871 0.000 1.423 88 H HN 0.857 9.137 8.280 -0.000 0.000 0.464 89 S N 3.947 119.632 115.700 -0.025 0.000 4.155 89 S HA -0.293 4.177 4.470 0.001 0.000 0.576 89 S C 1.751 176.478 174.600 0.212 0.000 1.870 89 S CA 1.186 59.455 58.200 0.114 0.000 4.248 89 S CB -1.301 62.013 63.200 0.190 0.000 0.215 89 S HN 0.626 8.936 8.310 -0.000 0.000 0.460 90 L N 2.618 123.941 121.223 0.167 0.000 2.081 90 L HA -0.022 4.318 4.340 0.001 0.000 0.212 90 L C 2.512 179.508 176.870 0.211 0.000 1.080 90 L CA 3.110 58.025 54.840 0.126 0.000 0.754 90 L CB -2.030 40.033 42.059 0.007 0.000 0.893 90 L HN 0.866 9.096 8.230 -0.000 0.000 0.433 91 G N -0.586 108.314 108.800 0.167 0.000 2.501 91 G HA2 -0.313 3.647 3.960 0.001 0.000 0.220 91 G HA3 -0.313 3.647 3.960 0.001 0.000 0.220 91 G C 1.433 176.442 174.900 0.183 0.000 1.114 91 G CA 0.748 45.957 45.100 0.181 0.000 0.757 91 G HN 0.628 8.918 8.290 -0.000 0.000 0.559 92 E N -0.640 119.670 120.200 0.183 0.000 2.150 92 E HA -0.135 4.216 4.350 0.001 0.000 0.193 92 E C 1.853 178.427 176.600 -0.044 0.000 0.985 92 E CA 0.600 57.048 56.400 0.079 0.000 0.814 92 E CB -0.215 29.500 29.700 0.025 0.000 0.752 92 E HN 0.650 9.010 8.360 -0.000 0.000 0.466 93 Y N 0.468 120.747 120.300 -0.036 0.000 2.145 93 Y HA -0.195 4.356 4.550 0.000 0.000 0.286 93 Y C 2.668 178.472 175.900 -0.160 0.000 1.145 93 Y CA 1.711 59.766 58.100 -0.074 0.000 1.148 93 Y CB -0.471 37.959 38.460 -0.050 0.000 0.981 93 Y HN 0.095 8.375 8.280 -0.000 0.000 0.507 94 T N -0.170 114.357 114.554 -0.045 0.000 2.746 94 T HA -0.240 4.111 4.350 0.001 0.000 0.267 94 T C 2.213 176.477 174.700 -0.727 0.000 1.039 94 T CA 1.224 63.121 62.100 -0.338 0.000 1.142 94 T CB -0.707 67.989 68.868 -0.286 0.000 0.866 94 T HN 0.447 8.687 8.240 -0.000 0.000 0.444 95 A N 1.465 123.927 122.820 -0.597 0.000 1.883 95 A HA -0.019 4.302 4.320 0.001 0.000 0.217 95 A C 2.334 179.743 177.584 -0.291 0.000 1.186 95 A CA 1.296 53.071 52.037 -0.437 0.000 0.624 95 A CB -0.970 18.047 19.000 0.029 0.000 0.822 95 A HN 0.477 8.627 8.150 -0.000 0.000 0.444 96 L N -0.548 120.542 121.223 -0.222 0.000 2.131 96 L HA -0.163 4.177 4.340 0.001 0.000 0.210 96 L C 2.499 179.254 176.870 -0.190 0.000 1.092 96 L CA 0.931 55.665 54.840 -0.177 0.000 0.759 96 L CB -0.427 41.526 42.059 -0.177 0.000 0.903 96 L HN 0.275 8.505 8.230 -0.000 0.000 0.435 97 V N -0.187 119.564 119.914 -0.272 0.000 2.283 97 V HA -0.242 3.878 4.120 0.001 0.000 0.243 97 V C 2.742 178.647 176.094 -0.315 0.000 1.039 97 V CA 1.697 63.797 62.300 -0.334 0.000 1.016 97 V CB -0.872 30.610 31.823 -0.568 0.000 0.650 97 V HN 0.467 8.657 8.190 -0.000 0.000 0.449 98 A N 0.198 122.776 122.820 -0.404 0.000 1.948 98 A HA -0.157 4.164 4.320 0.001 0.000 0.220 98 A C 2.227 179.715 177.584 -0.161 0.000 1.177 98 A CA 2.133 53.950 52.037 -0.367 0.000 0.636 98 A CB -0.702 17.786 19.000 -0.854 0.000 0.815 98 A HN 0.628 8.778 8.150 -0.000 0.000 0.449 99 A N -1.947 120.787 122.820 -0.143 0.000 2.235 99 A HA 0.400 4.721 4.320 0.001 0.000 0.208 99 A C 1.847 179.415 177.584 -0.027 0.000 1.172 99 A CA 1.202 53.205 52.037 -0.057 0.000 0.786 99 A CB -1.033 17.932 19.000 -0.058 0.000 0.804 99 A HN 1.944 10.094 8.150 -0.000 0.000 0.479 100 G N -2.051 106.732 108.800 -0.027 0.000 2.162 100 G HA2 -0.145 3.816 3.960 0.001 0.000 0.260 100 G HA3 -0.145 3.816 3.960 0.001 0.000 0.260 100 G C 1.099 175.989 174.900 -0.017 0.000 0.976 100 G CA 0.937 46.037 45.100 0.001 0.000 0.655 100 G HN 1.381 9.671 8.290 -0.000 0.000 0.533 101 A N -0.828 121.966 122.820 -0.043 0.000 1.970 101 A HA 0.605 4.925 4.320 0.001 0.000 0.216 101 A C 1.079 178.640 177.584 -0.038 0.000 1.170 101 A CA 1.377 53.388 52.037 -0.043 0.000 0.645 101 A CB 0.144 19.106 19.000 -0.062 0.000 0.816 101 A HN 0.851 9.001 8.150 -0.000 0.000 0.447 102 I N -0.471 120.071 120.570 -0.047 0.000 2.499 102 I HA 0.462 4.632 4.170 0.001 0.000 0.288 102 I C 0.084 176.188 176.117 -0.022 0.000 1.048 102 I CA -0.858 60.426 61.300 -0.028 0.000 1.062 102 I CB 1.973 39.959 38.000 -0.022 0.000 1.238 102 I HN 0.154 8.364 8.210 -0.000 0.000 0.426 103 A N 4.632 127.455 122.820 0.005 0.000 2.477 103 A HA 0.107 4.428 4.320 0.001 0.000 0.246 103 A C 0.724 178.336 177.584 0.047 0.000 1.078 103 A CA 0.014 52.072 52.037 0.034 0.000 0.770 103 A CB -0.017 19.007 19.000 0.040 0.000 1.011 103 A HN 0.776 8.926 8.150 -0.000 0.000 0.494 104 F N 2.501 122.382 119.950 -0.116 0.000 2.120 104 F HA -0.226 4.301 4.527 0.001 0.000 0.300 104 F C 2.109 177.888 175.800 -0.035 0.000 1.095 104 F CA 2.481 60.395 58.000 -0.144 0.000 1.249 104 F CB -0.120 38.813 39.000 -0.112 0.000 0.995 104 F HN 0.702 9.002 8.300 -0.000 0.000 0.480 105 R N 0.900 121.344 120.500 -0.093 0.000 2.120 105 R HA -0.132 4.208 4.340 0.001 0.000 0.234 105 R C 1.665 177.878 176.300 -0.145 0.000 1.123 105 R CA 2.082 58.077 56.100 -0.175 0.000 0.975 105 R CB -0.979 29.297 30.300 -0.041 0.000 0.866 105 R HN 0.289 8.559 8.270 -0.000 0.000 0.446 106 D N -0.433 119.924 120.400 -0.071 0.000 2.213 106 D HA 0.049 4.689 4.640 0.001 0.000 0.205 106 D C 1.550 177.840 176.300 -0.017 0.000 0.961 106 D CA 1.297 55.282 54.000 -0.026 0.000 0.853 106 D CB -0.208 40.596 40.800 0.007 0.000 0.967 106 D HN 0.327 8.697 8.370 -0.000 0.000 0.496 107 A N 0.606 123.397 122.820 -0.049 0.000 2.015 107 A HA -0.068 4.252 4.320 0.001 0.000 0.219 107 A C 2.243 179.774 177.584 -0.090 0.000 1.163 107 A CA 0.669 52.698 52.037 -0.013 0.000 0.646 107 A CB -0.565 18.455 19.000 0.034 0.000 0.806 107 A HN 0.157 8.307 8.150 -0.000 0.000 0.448 108 L N -0.004 121.093 121.223 -0.210 0.000 1.988 108 L HA -0.083 4.257 4.340 0.001 0.000 0.207 108 L C -0.315 176.483 176.870 -0.120 0.000 1.071 108 L CA 1.682 56.389 54.840 -0.223 0.000 0.744 108 L CB -1.130 40.710 42.059 -0.365 0.000 0.893 108 L HN 0.252 8.482 8.230 -0.000 0.000 0.433 109 P HA -0.159 4.261 4.420 -0.000 0.000 0.223 109 P C 1.719 178.983 177.300 -0.059 0.000 1.151 109 P CA 0.981 64.077 63.100 -0.007 0.000 0.787 109 P CB 0.084 31.828 31.700 0.072 0.000 0.788 110 L N 1.297 122.476 121.223 -0.075 0.000 2.027 110 L HA -0.102 4.238 4.340 0.001 0.000 0.206 110 L C 2.375 179.070 176.870 -0.292 0.000 1.074 110 L CA 1.842 56.537 54.840 -0.242 0.000 0.745 110 L CB -1.449 40.626 42.059 0.026 0.000 0.898 110 L HN -0.085 8.145 8.230 -0.000 0.000 0.433 111 V N -2.380 117.377 119.914 -0.262 0.000 2.719 111 V HA -0.088 4.032 4.120 0.001 0.000 0.252 111 V C 2.637 178.578 176.094 -0.255 0.000 1.065 111 V CA 1.485 63.566 62.300 -0.364 0.000 1.086 111 V CB -0.964 30.634 31.823 -0.375 0.000 0.700 111 V HN 0.547 8.737 8.190 -0.000 0.000 0.467 112 R N -0.488 119.910 120.500 -0.169 0.000 2.073 112 R HA -0.160 4.181 4.340 0.001 0.000 0.234 112 R C 2.212 178.427 176.300 -0.143 0.000 1.134 112 R CA 2.209 58.234 56.100 -0.125 0.000 0.952 112 R CB -0.560 29.700 30.300 -0.067 0.000 0.850 112 R HN 0.597 8.867 8.270 -0.000 0.000 0.433 113 F N 1.608 121.376 119.950 -0.304 0.000 2.102 113 F HA -0.217 4.311 4.527 0.001 0.000 0.298 113 F C 2.671 178.280 175.800 -0.317 0.000 1.105 113 F CA 1.980 59.775 58.000 -0.342 0.000 1.239 113 F CB -0.299 38.316 39.000 -0.642 0.000 0.991 113 F HN -0.045 8.255 8.300 -0.000 0.000 0.474 114 R N 0.512 120.860 120.500 -0.254 0.000 2.096 114 R HA -0.220 4.121 4.340 0.001 0.000 0.240 114 R C 2.350 178.425 176.300 -0.374 0.000 1.139 114 R CA 1.626 57.544 56.100 -0.304 0.000 0.952 114 R CB -0.795 29.291 30.300 -0.357 0.000 0.854 114 R HN 0.390 8.660 8.270 -0.000 0.000 0.436 115 A N 0.754 123.373 122.820 -0.334 0.000 1.883 115 A HA -0.291 4.029 4.320 0.001 0.000 0.217 115 A C 2.102 179.524 177.584 -0.270 0.000 1.186 115 A CA 1.825 53.690 52.037 -0.287 0.000 0.624 115 A CB -0.764 18.115 19.000 -0.202 0.000 0.822 115 A HN 0.581 8.731 8.150 -0.000 0.000 0.444 116 Q N 0.179 119.788 119.800 -0.318 0.000 2.050 116 Q HA -0.053 4.287 4.340 0.001 0.000 0.202 116 Q C 1.983 177.768 176.000 -0.357 0.000 0.980 116 Q CA 2.630 58.245 55.803 -0.314 0.000 0.840 116 Q CB -0.763 27.763 28.738 -0.353 0.000 0.898 116 Q HN 0.521 8.791 8.270 -0.000 0.000 0.424 117 A N 0.553 123.044 122.820 -0.549 0.000 1.865 117 A HA -0.202 4.119 4.320 0.001 0.000 0.217 117 A C 2.228 179.674 177.584 -0.231 0.000 1.191 117 A CA 2.096 53.874 52.037 -0.431 0.000 0.623 117 A CB -0.721 17.988 19.000 -0.486 0.000 0.826 117 A HN 0.569 8.719 8.150 -0.000 0.000 0.444 118 M N -1.617 117.835 119.600 -0.245 0.000 2.229 118 M HA -0.160 4.320 4.480 0.001 0.000 0.264 118 M C 2.371 178.715 176.300 0.073 0.000 1.063 118 M CA 1.791 56.986 55.300 -0.176 0.000 1.114 118 M CB -0.207 32.086 32.600 -0.512 0.000 1.387 118 M HN 0.508 8.798 8.290 -0.000 0.000 0.420 119 Q N 0.444 120.260 119.800 0.027 0.000 2.245 119 Q HA -0.070 4.271 4.340 0.001 0.000 0.201 119 Q C 1.567 177.583 176.000 0.027 0.000 0.955 119 Q CA 1.653 57.520 55.803 0.107 0.000 0.870 119 Q CB -0.049 28.717 28.738 0.048 0.000 0.945 119 Q HN 0.531 8.801 8.270 -0.000 0.000 0.461 120 T N -4.013 110.524 114.554 -0.029 0.000 3.129 120 T HA 0.529 4.880 4.350 0.001 0.000 0.267 120 T C 1.362 176.045 174.700 -0.029 0.000 1.018 120 T CA 0.196 62.275 62.100 -0.036 0.000 0.903 120 T CB 0.415 69.246 68.868 -0.062 0.000 1.067 120 T HN 0.182 8.422 8.240 -0.000 0.000 0.549 121 A N 1.790 124.600 122.820 -0.016 0.000 1.902 121 A HA 0.376 4.696 4.320 0.001 0.000 0.217 121 A C 1.283 178.865 177.584 -0.003 0.000 1.181 121 A CA 1.304 53.334 52.037 -0.010 0.000 0.623 121 A CB -0.678 18.322 19.000 0.000 0.000 0.818 121 A HN 0.978 9.128 8.150 -0.000 0.000 0.443 122 V N -4.413 115.500 119.914 -0.001 0.000 2.960 122 V HA 0.683 4.803 4.120 0.001 0.000 0.315 122 V C -3.150 172.936 176.094 -0.013 0.000 1.087 122 V CA -2.852 59.444 62.300 -0.006 0.000 0.982 122 V CB 1.112 32.931 31.823 -0.007 0.000 1.039 122 V HN 0.094 8.284 8.190 -0.000 0.000 0.437 123 P HA 0.231 4.651 4.420 -0.000 0.000 0.269 123 P C -0.277 177.009 177.300 -0.022 0.000 1.215 123 P CA -0.164 62.926 63.100 -0.016 0.000 0.780 123 P CB 0.423 32.115 31.700 -0.013 0.000 0.898 124 V N 2.103 122.003 119.914 -0.023 0.000 2.720 124 V HA 0.151 4.271 4.120 0.001 0.000 0.307 124 V C 1.733 177.808 176.094 -0.031 0.000 1.071 124 V CA 1.868 64.150 62.300 -0.029 0.000 1.199 124 V CB -0.451 31.356 31.823 -0.025 0.000 0.900 124 V HN 1.050 9.240 8.190 -0.000 0.000 0.494 125 G N 3.352 112.127 108.800 -0.041 0.000 2.184 125 G HA2 -0.265 3.696 3.960 0.001 0.000 0.264 125 G HA3 -0.265 3.696 3.960 0.001 0.000 0.264 125 G C 0.681 175.557 174.900 -0.039 0.000 0.975 125 G CA 0.438 45.514 45.100 -0.040 0.000 0.642 125 G HN 0.666 8.956 8.290 -0.000 0.000 0.536 126 V N 0.135 120.027 119.914 -0.037 0.000 2.343 126 V HA 0.353 4.473 4.120 0.001 0.000 0.247 126 V C 1.900 177.971 176.094 -0.039 0.000 1.051 126 V CA 2.766 65.047 62.300 -0.032 0.000 1.036 126 V CB -0.257 31.551 31.823 -0.025 0.000 0.654 126 V HN 1.211 9.401 8.190 -0.000 0.000 0.451 127 G N -2.806 105.960 108.800 -0.056 0.000 2.788 127 G HA2 0.687 4.647 3.960 0.001 0.000 0.293 127 G HA3 0.687 4.647 3.960 0.001 0.000 0.293 127 G C -0.623 174.216 174.900 -0.101 0.000 1.392 127 G CA 0.004 45.064 45.100 -0.066 0.000 0.810 127 G HN 0.590 8.880 8.290 -0.000 0.000 0.508 128 G N -1.583 107.153 108.800 -0.107 0.000 2.570 128 G HA2 0.580 4.540 3.960 0.001 0.000 0.310 128 G HA3 0.580 4.540 3.960 0.001 0.000 0.310 128 G C -1.370 173.458 174.900 -0.120 0.000 1.266 128 G CA -0.714 44.300 45.100 -0.142 0.000 0.825 128 G HN 0.655 8.945 8.290 -0.000 0.000 0.483 129 M N -0.259 119.274 119.600 -0.112 0.000 2.593 129 M HA 0.721 5.201 4.480 0.001 0.000 0.290 129 M C -0.654 175.613 176.300 -0.056 0.000 1.244 129 M CA -0.825 54.429 55.300 -0.077 0.000 0.857 129 M CB 2.569 35.118 32.600 -0.085 0.000 1.738 129 M HN 1.039 9.329 8.290 -0.000 0.000 0.461 130 A N 1.147 123.943 122.820 -0.040 0.000 2.572 130 A HA 0.948 5.268 4.320 0.001 0.000 0.295 130 A C -1.604 175.964 177.584 -0.028 0.000 1.072 130 A CA -0.705 51.313 52.037 -0.033 0.000 0.691 130 A CB 1.648 20.631 19.000 -0.028 0.000 1.291 130 A HN 0.901 9.051 8.150 -0.000 0.000 0.404 131 A N 1.716 124.523 122.820 -0.022 0.000 2.288 131 A HA 0.684 5.005 4.320 0.001 0.000 0.320 131 A C -0.585 176.993 177.584 -0.010 0.000 1.217 131 A CA -0.359 51.668 52.037 -0.017 0.000 0.840 131 A CB 0.129 19.119 19.000 -0.016 0.000 1.179 131 A HN 0.665 8.815 8.150 -0.000 0.000 0.504 132 I N 3.402 123.969 120.570 -0.005 0.000 2.389 132 I HA 0.406 4.576 4.170 0.001 0.000 0.288 132 I C -0.982 175.145 176.117 0.015 0.000 0.999 132 I CA -0.552 60.751 61.300 0.005 0.000 1.129 132 I CB 1.007 39.013 38.000 0.009 0.000 1.288 132 I HN 0.388 8.598 8.210 -0.000 0.000 0.444 133 L N 4.327 125.559 121.223 0.015 0.000 2.346 133 L HA 0.770 5.111 4.340 0.001 0.000 0.276 133 L C 0.851 177.735 176.870 0.023 0.000 1.006 133 L CA 0.190 55.042 54.840 0.021 0.000 0.817 133 L CB 1.805 43.872 42.059 0.014 0.000 1.272 133 L HN 0.893 9.123 8.230 -0.000 0.000 0.421 134 G N 2.540 111.358 108.800 0.029 0.000 2.213 134 G HA2 -0.170 3.790 3.960 0.001 0.000 0.226 134 G HA3 -0.170 3.790 3.960 0.001 0.000 0.226 134 G C -0.139 174.780 174.900 0.032 0.000 0.992 134 G CA -0.181 44.935 45.100 0.027 0.000 0.632 134 G HN 0.395 8.685 8.290 -0.000 0.000 0.511 135 L N 1.981 123.227 121.223 0.040 0.000 2.334 135 L HA 0.554 4.895 4.340 0.001 0.000 0.276 135 L C 0.298 177.205 176.870 0.061 0.000 1.014 135 L CA -1.099 53.767 54.840 0.045 0.000 0.815 135 L CB 1.420 43.504 42.059 0.043 0.000 1.268 135 L HN 0.332 8.562 8.230 -0.000 0.000 0.428 136 D N -0.114 120.320 120.400 0.056 0.000 2.371 136 D HA -0.009 4.632 4.640 0.001 0.000 0.242 136 D C 0.365 176.719 176.300 0.091 0.000 1.218 136 D CA -0.367 53.671 54.000 0.064 0.000 0.945 136 D CB 0.747 41.572 40.800 0.040 0.000 1.137 136 D HN 0.390 8.760 8.370 -0.000 0.000 0.464 137 D N -0.286 120.174 120.400 0.100 0.000 2.123 137 D HA -0.143 4.497 4.640 0.001 0.000 0.196 137 D C 1.180 177.552 176.300 0.120 0.000 0.992 137 D CA 1.101 55.196 54.000 0.158 0.000 0.833 137 D CB -0.171 40.638 40.800 0.015 0.000 0.954 137 D HN 0.438 8.808 8.370 -0.000 0.000 0.455 138 D N -0.327 120.103 120.400 0.051 0.000 2.183 138 D HA -0.053 4.587 4.640 0.001 0.000 0.203 138 D C 1.905 178.238 176.300 0.054 0.000 0.969 138 D CA 0.847 54.871 54.000 0.041 0.000 0.842 138 D CB -0.229 40.579 40.800 0.013 0.000 0.957 138 D HN 0.153 8.523 8.370 -0.000 0.000 0.484 139 T N 0.239 114.825 114.554 0.055 0.000 2.777 139 T HA -0.068 4.282 4.350 0.001 0.000 0.266 139 T C 2.245 176.981 174.700 0.060 0.000 1.040 139 T CA 0.621 62.750 62.100 0.049 0.000 1.141 139 T CB -0.176 68.716 68.868 0.041 0.000 0.868 139 T HN -0.020 8.220 8.240 -0.000 0.000 0.444 140 V N 1.621 121.586 119.914 0.084 0.000 2.343 140 V HA -0.174 3.946 4.120 0.001 0.000 0.247 140 V C 2.583 178.731 176.094 0.091 0.000 1.051 140 V CA 1.565 63.917 62.300 0.086 0.000 1.036 140 V CB -0.618 31.269 31.823 0.107 0.000 0.654 140 V HN 0.386 8.576 8.190 -0.000 0.000 0.451 141 R N 0.339 120.910 120.500 0.119 0.000 2.091 141 R HA -0.139 4.201 4.340 0.001 0.000 0.238 141 R C 2.465 178.805 176.300 0.066 0.000 1.136 141 R CA 1.534 57.698 56.100 0.106 0.000 0.959 141 R CB -0.637 29.732 30.300 0.115 0.000 0.856 141 R HN 0.542 8.812 8.270 -0.000 0.000 0.437 142 A N 0.749 123.601 122.820 0.054 0.000 1.877 142 A HA -0.118 4.203 4.320 0.001 0.000 0.216 142 A C 2.382 179.986 177.584 0.033 0.000 1.186 142 A CA 1.412 53.472 52.037 0.038 0.000 0.620 142 A CB -0.619 18.399 19.000 0.031 0.000 0.822 142 A HN 0.114 8.264 8.150 -0.000 0.000 0.443 143 V N -0.607 119.327 119.914 0.035 0.000 2.282 143 V HA -0.383 3.738 4.120 0.001 0.000 0.249 143 V C 2.678 178.788 176.094 0.025 0.000 1.057 143 V CA 2.277 64.593 62.300 0.027 0.000 1.032 143 V CB -1.178 30.661 31.823 0.027 0.000 0.645 143 V HN 0.723 8.913 8.190 -0.000 0.000 0.447 144 C N -0.063 119.256 119.300 0.031 0.000 2.440 144 C HA -0.016 4.445 4.460 0.001 0.000 0.278 144 C C 3.074 178.080 174.990 0.027 0.000 1.295 144 C CA 0.573 59.608 59.018 0.028 0.000 1.738 144 C CB -1.354 26.407 27.740 0.035 0.000 1.987 144 C HN 0.646 8.876 8.230 -0.000 0.000 0.492 145 A N 0.256 123.094 122.820 0.031 0.000 1.902 145 A HA -0.231 4.090 4.320 0.001 0.000 0.217 145 A C 2.120 179.717 177.584 0.020 0.000 1.181 145 A CA 1.932 53.985 52.037 0.027 0.000 0.623 145 A CB -0.630 18.388 19.000 0.029 0.000 0.818 145 A HN 0.711 8.861 8.150 -0.000 0.000 0.443 146 E N -0.201 120.010 120.200 0.019 0.000 2.047 146 E HA -0.096 4.254 4.350 0.001 0.000 0.191 146 E C 2.119 178.726 176.600 0.012 0.000 0.987 146 E CA 0.948 57.357 56.400 0.015 0.000 0.799 146 E CB -0.259 29.450 29.700 0.015 0.000 0.752 146 E HN 0.515 8.875 8.360 -0.000 0.000 0.449 147 A N 0.344 123.172 122.820 0.012 0.000 2.070 147 A HA -0.137 4.184 4.320 0.001 0.000 0.220 147 A C 2.264 179.852 177.584 0.008 0.000 1.159 147 A CA 1.531 53.573 52.037 0.009 0.000 0.656 147 A CB -0.431 18.573 19.000 0.008 0.000 0.800 147 A HN 0.235 8.385 8.150 -0.000 0.000 0.453 148 S N -0.394 115.312 115.700 0.011 0.000 2.442 148 S HA 0.010 4.480 4.470 0.001 0.000 0.236 148 S C 2.125 176.730 174.600 0.008 0.000 1.007 148 S CA 0.816 59.023 58.200 0.011 0.000 0.965 148 S CB -0.336 62.873 63.200 0.015 0.000 0.773 148 S HN 0.802 9.112 8.310 -0.000 0.000 0.504 149 A N 1.347 124.172 122.820 0.008 0.000 2.076 149 A HA -0.140 4.181 4.320 0.001 0.000 0.220 149 A C 2.276 179.863 177.584 0.004 0.000 1.160 149 A CA 1.988 54.029 52.037 0.006 0.000 0.653 149 A CB -0.959 18.044 19.000 0.006 0.000 0.801 149 A HN 0.630 8.780 8.150 -0.000 0.000 0.455 150 T N -4.540 110.016 114.554 0.003 0.000 3.081 150 T HA 0.473 4.823 4.350 0.001 0.000 0.250 150 T C 0.709 175.409 174.700 -0.000 0.000 1.100 150 T CA 0.809 62.910 62.100 0.001 0.000 1.038 150 T CB 0.180 69.048 68.868 -0.001 0.000 0.962 150 T HN 1.611 9.851 8.240 -0.000 0.000 0.516 151 G N 0.260 109.060 108.800 0.001 0.000 2.352 151 G HA2 0.342 4.303 3.960 0.001 0.000 0.303 151 G HA3 0.342 4.303 3.960 0.001 0.000 0.303 151 G C -1.158 173.744 174.900 0.003 0.000 1.593 151 G CA -0.725 44.375 45.100 0.000 0.000 0.963 151 G HN 0.251 8.541 8.290 -0.000 0.000 0.685 152 V N 0.155 120.071 119.914 0.004 0.000 2.617 152 V HA 0.414 4.534 4.120 0.001 0.000 0.304 152 V C 0.714 176.811 176.094 0.006 0.000 1.040 152 V CA 0.568 62.873 62.300 0.008 0.000 1.149 152 V CB 0.951 32.781 31.823 0.011 0.000 0.914 152 V HN 1.562 9.752 8.190 -0.000 0.000 0.487 153 V N 5.288 125.209 119.914 0.011 0.000 2.924 153 V HA 0.627 4.748 4.120 0.001 0.000 0.300 153 V C -0.911 175.193 176.094 0.017 0.000 1.227 153 V CA -0.329 61.976 62.300 0.008 0.000 0.954 153 V CB 2.434 34.258 31.823 0.002 0.000 1.055 153 V HN 1.036 9.226 8.190 -0.000 0.000 0.429 154 E N 3.575 123.784 120.200 0.015 0.000 2.408 154 E HA 0.771 5.121 4.350 0.001 0.000 0.275 154 E C -0.892 175.707 176.600 -0.003 0.000 0.935 154 E CA -0.733 55.682 56.400 0.025 0.000 0.775 154 E CB 2.305 32.029 29.700 0.039 0.000 1.277 154 E HN 1.033 9.393 8.360 -0.000 0.000 0.455 155 A N 1.315 124.135 122.820 -0.000 0.000 2.310 155 A HA 0.356 4.676 4.320 0.001 0.000 0.300 155 A C 0.677 178.093 177.584 -0.279 0.000 1.269 155 A CA -0.334 51.624 52.037 -0.130 0.000 0.909 155 A CB -0.181 18.800 19.000 -0.032 0.000 1.144 155 A HN 0.503 8.653 8.150 -0.000 0.000 0.540 156 V N -0.498 119.224 119.914 -0.319 0.000 3.612 156 V HA 0.340 4.461 4.120 0.001 0.000 0.268 156 V C -0.095 175.827 176.094 -0.287 0.000 1.365 156 V CA 0.143 62.326 62.300 -0.195 0.000 1.044 156 V CB -0.247 31.583 31.823 0.013 0.000 0.820 156 V HN 0.559 8.749 8.190 -0.000 0.000 0.444 157 N N 1.150 119.603 118.700 -0.411 0.000 2.504 157 N HA 0.556 5.296 4.740 0.001 0.000 0.280 157 N C -1.631 173.660 175.510 -0.365 0.000 1.052 157 N CA -0.256 52.628 53.050 -0.277 0.000 0.887 157 N CB 1.363 39.818 38.487 -0.054 0.000 1.323 157 N HN 0.281 8.661 8.380 -0.000 0.000 0.509 158 F N 1.622 121.627 119.950 0.090 0.000 2.334 158 F HA 0.403 4.931 4.527 0.001 0.000 0.365 158 F C 1.360 177.282 175.800 0.203 0.000 1.124 158 F CA -0.648 57.420 58.000 0.114 0.000 1.166 158 F CB 0.542 39.589 39.000 0.077 0.000 1.355 158 F HN 0.303 8.603 8.300 -0.000 0.000 0.532 159 N N 1.756 120.647 118.700 0.319 0.000 2.439 159 N HA 0.354 5.095 4.740 0.001 0.000 0.176 159 N C 0.220 175.929 175.510 0.332 0.000 1.029 159 N CA 0.473 53.737 53.050 0.355 0.000 0.886 159 N CB 0.466 39.074 38.487 0.203 0.000 1.057 159 N HN 0.516 8.896 8.380 -0.000 0.000 0.437 160 A N -0.123 122.833 122.820 0.227 0.000 2.601 160 A HA 0.583 4.904 4.320 0.001 0.000 0.291 160 A C -2.872 174.794 177.584 0.138 0.000 1.075 160 A CA -1.063 51.077 52.037 0.172 0.000 0.671 160 A CB 0.598 19.680 19.000 0.136 0.000 1.277 160 A HN -0.188 7.962 8.150 -0.000 0.000 0.417 161 P HA 0.270 4.690 4.420 -0.000 0.000 0.261 161 P C 0.630 177.977 177.300 0.079 0.000 1.173 161 P CA 2.148 65.297 63.100 0.082 0.000 0.760 161 P CB 0.650 32.384 31.700 0.056 0.000 0.783 162 A N 2.232 125.101 122.820 0.081 0.000 2.887 162 A HA -0.254 4.066 4.320 0.001 0.000 0.257 162 A C 0.391 178.016 177.584 0.068 0.000 1.372 162 A CA 1.272 53.349 52.037 0.068 0.000 0.879 162 A CB -2.569 16.460 19.000 0.048 0.000 1.082 162 A HN 0.639 8.789 8.150 -0.000 0.000 0.703 163 Q N -0.345 119.509 119.800 0.089 0.000 2.414 163 Q HA 0.594 4.934 4.340 0.001 0.000 0.256 163 Q C -1.371 174.681 176.000 0.086 0.000 0.974 163 Q CA -0.351 55.498 55.803 0.075 0.000 0.723 163 Q CB 1.754 30.536 28.738 0.073 0.000 1.281 163 Q HN 0.667 8.937 8.270 -0.000 0.000 0.470 164 V N 3.557 123.499 119.914 0.046 0.000 2.686 164 V HA 0.505 4.625 4.120 0.001 0.000 0.306 164 V C -0.462 175.600 176.094 -0.053 0.000 1.065 164 V CA -0.818 61.475 62.300 -0.011 0.000 0.894 164 V CB 2.040 33.874 31.823 0.018 0.000 1.004 164 V HN 0.547 8.737 8.190 -0.000 0.000 0.424 165 V N 5.791 125.643 119.914 -0.104 0.000 2.472 165 V HA 0.572 4.693 4.120 0.001 0.000 0.290 165 V C 0.033 176.056 176.094 -0.118 0.000 1.037 165 V CA -0.398 61.855 62.300 -0.080 0.000 0.908 165 V CB 1.570 33.369 31.823 -0.039 0.000 0.985 165 V HN 0.821 9.011 8.190 -0.000 0.000 0.454 166 I N 1.867 122.395 120.570 -0.070 0.000 2.863 166 I HA 1.054 5.225 4.170 0.001 0.000 0.311 166 I C -0.236 175.862 176.117 -0.032 0.000 1.026 166 I CA -0.787 60.478 61.300 -0.058 0.000 1.077 166 I CB 2.228 40.206 38.000 -0.037 0.000 1.262 166 I HN 0.664 8.874 8.210 -0.000 0.000 0.461 167 A N 2.134 124.943 122.820 -0.019 0.000 2.589 167 A HA 0.953 5.274 4.320 0.001 0.000 0.296 167 A C -0.370 177.211 177.584 -0.006 0.000 1.062 167 A CA 0.085 52.115 52.037 -0.011 0.000 0.686 167 A CB 1.217 20.230 19.000 0.021 0.000 1.282 167 A HN 1.673 9.823 8.150 -0.000 0.000 0.404 168 G N -0.445 108.344 108.800 -0.018 0.000 2.441 168 G HA2 0.574 4.535 3.960 0.001 0.000 0.222 168 G HA3 0.574 4.535 3.960 0.001 0.000 0.222 168 G C 0.003 174.889 174.900 -0.024 0.000 1.254 168 G CA 0.679 45.772 45.100 -0.012 0.000 0.959 168 G HN 2.013 10.303 8.290 -0.000 0.000 0.474 169 T N -1.143 113.401 114.554 -0.017 0.000 2.900 169 T HA 0.509 4.860 4.350 0.001 0.000 0.307 169 T C 1.737 176.421 174.700 -0.026 0.000 1.065 169 T CA 1.410 63.498 62.100 -0.021 0.000 1.105 169 T CB 1.227 70.087 68.868 -0.013 0.000 0.979 169 T HN 1.670 9.910 8.240 -0.000 0.000 0.544 170 K N 1.526 121.909 120.400 -0.030 0.000 2.044 170 K HA -0.023 4.298 4.320 0.001 0.000 0.210 170 K C 2.731 179.318 176.600 -0.023 0.000 1.049 170 K CA 2.207 58.475 56.287 -0.031 0.000 0.927 170 K CB -1.595 30.886 32.500 -0.031 0.000 0.713 170 K HN 1.001 9.251 8.250 -0.000 0.000 0.443 171 A N 0.810 123.619 122.820 -0.017 0.000 1.902 171 A HA 0.145 4.465 4.320 0.001 0.000 0.217 171 A C 2.857 180.435 177.584 -0.010 0.000 1.181 171 A CA 2.018 54.048 52.037 -0.013 0.000 0.623 171 A CB -1.222 17.772 19.000 -0.009 0.000 0.818 171 A HN 0.719 8.869 8.150 -0.000 0.000 0.443 172 G N -0.025 108.770 108.800 -0.010 0.000 2.446 172 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 172 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 172 G C 1.431 176.326 174.900 -0.008 0.000 1.168 172 G CA 1.124 46.220 45.100 -0.006 0.000 0.771 172 G HN 0.345 8.635 8.290 -0.000 0.000 0.551 173 I N 1.099 121.660 120.570 -0.014 0.000 2.179 173 I HA -0.122 4.048 4.170 0.001 0.000 0.242 173 I C 2.637 178.745 176.117 -0.015 0.000 1.088 173 I CA 1.254 62.543 61.300 -0.018 0.000 1.357 173 I CB -1.178 36.805 38.000 -0.028 0.000 1.051 173 I HN 0.348 8.558 8.210 -0.000 0.000 0.409 174 E N 0.428 120.618 120.200 -0.016 0.000 2.049 174 E HA -0.302 4.048 4.350 0.001 0.000 0.198 174 E C 2.150 178.745 176.600 -0.008 0.000 1.007 174 E CA 1.717 58.109 56.400 -0.013 0.000 0.809 174 E CB -0.093 29.599 29.700 -0.013 0.000 0.749 174 E HN 0.178 8.538 8.360 -0.000 0.000 0.450 175 K N 0.838 121.234 120.400 -0.006 0.000 2.097 175 K HA -0.095 4.226 4.320 0.001 0.000 0.206 175 K C 1.769 178.369 176.600 -0.000 0.000 1.049 175 K CA 1.353 57.639 56.287 -0.003 0.000 0.933 175 K CB -0.331 32.168 32.500 -0.001 0.000 0.717 175 K HN 0.124 8.374 8.250 -0.000 0.000 0.442 176 A N 0.040 122.860 122.820 -0.001 0.000 1.902 176 A HA -0.166 4.155 4.320 0.001 0.000 0.217 176 A C 2.491 180.076 177.584 0.001 0.000 1.181 176 A CA 1.708 53.746 52.037 0.002 0.000 0.623 176 A CB -1.154 17.847 19.000 0.001 0.000 0.818 176 A HN 0.510 8.660 8.150 -0.000 0.000 0.443 177 C N -0.839 118.459 119.300 -0.003 0.000 2.413 177 C HA -0.116 4.344 4.460 0.001 0.000 0.276 177 C C 2.664 177.653 174.990 -0.001 0.000 1.248 177 C CA 1.265 60.281 59.018 -0.003 0.000 1.742 177 C CB -1.205 26.530 27.740 -0.008 0.000 2.017 177 C HN 0.771 9.001 8.230 -0.000 0.000 0.481 178 E N 0.661 120.860 120.200 -0.001 0.000 2.031 178 E HA -0.183 4.168 4.350 0.001 0.000 0.193 178 E C 1.993 178.595 176.600 0.003 0.000 0.994 178 E CA 1.308 57.708 56.400 -0.000 0.000 0.800 178 E CB -0.160 29.540 29.700 -0.001 0.000 0.752 178 E HN 0.624 8.984 8.360 -0.000 0.000 0.447 179 I N 1.001 121.574 120.570 0.004 0.000 2.208 179 I HA -0.290 3.881 4.170 0.001 0.000 0.245 179 I C 2.647 178.769 176.117 0.009 0.000 1.097 179 I CA 1.054 62.358 61.300 0.007 0.000 1.363 179 I CB -0.451 37.554 38.000 0.009 0.000 1.051 179 I HN 0.187 8.397 8.210 -0.000 0.000 0.413 180 A N 1.035 123.860 122.820 0.009 0.000 1.883 180 A HA -0.252 4.069 4.320 0.001 0.000 0.217 180 A C 2.317 179.907 177.584 0.010 0.000 1.186 180 A CA 1.875 53.919 52.037 0.012 0.000 0.624 180 A CB -0.518 18.489 19.000 0.011 0.000 0.822 180 A HN 0.325 8.475 8.150 -0.000 0.000 0.444 181 K N -0.276 120.128 120.400 0.007 0.000 2.032 181 K HA -0.192 4.128 4.320 0.001 0.000 0.209 181 K C 1.961 178.565 176.600 0.006 0.000 1.048 181 K CA 1.822 58.113 56.287 0.005 0.000 0.927 181 K CB -0.239 32.263 32.500 0.003 0.000 0.712 181 K HN 0.646 8.896 8.250 -0.000 0.000 0.441 182 E N 0.697 120.901 120.200 0.006 0.000 2.118 182 E HA -0.179 4.172 4.350 0.001 0.000 0.195 182 E C 1.491 178.096 176.600 0.008 0.000 0.992 182 E CA 1.151 57.555 56.400 0.006 0.000 0.804 182 E CB 0.053 29.757 29.700 0.006 0.000 0.741 182 E HN 0.203 8.563 8.360 -0.000 0.000 0.458 183 K N -0.765 119.641 120.400 0.010 0.000 2.487 183 K HA 0.052 4.372 4.320 0.001 0.000 0.192 183 K C 0.712 177.320 176.600 0.012 0.000 1.027 183 K CA 0.509 56.803 56.287 0.012 0.000 1.054 183 K CB 0.676 33.185 32.500 0.015 0.000 0.824 183 K HN 0.269 8.519 8.250 -0.000 0.000 0.510 184 G N 0.853 109.660 108.800 0.011 0.000 2.143 184 G HA2 -0.215 3.746 3.960 0.001 0.000 0.175 184 G HA3 -0.215 3.746 3.960 0.001 0.000 0.175 184 G C 0.110 175.017 174.900 0.012 0.000 1.004 184 G CA -0.178 44.929 45.100 0.011 0.000 0.671 184 G HN 0.385 8.675 8.290 -0.000 0.000 0.512 185 A N -0.022 122.806 122.820 0.012 0.000 2.540 185 A HA 0.629 4.950 4.320 0.001 0.000 0.239 185 A C 1.615 179.205 177.584 0.010 0.000 1.061 185 A CA 1.778 53.823 52.037 0.013 0.000 0.758 185 A CB 0.278 19.285 19.000 0.013 0.000 0.991 185 A HN 1.742 9.892 8.150 -0.000 0.000 0.502 186 K N 1.766 122.173 120.400 0.011 0.000 2.147 186 K HA 0.007 4.327 4.320 0.001 0.000 0.205 186 K C 1.111 177.714 176.600 0.006 0.000 1.049 186 K CA 2.009 58.301 56.287 0.008 0.000 0.936 186 K CB -0.101 32.404 32.500 0.010 0.000 0.722 186 K HN 0.893 9.143 8.250 -0.000 0.000 0.446 187 R N -2.380 118.124 120.500 0.006 0.000 2.629 187 R HA 0.583 4.923 4.340 0.001 0.000 0.266 187 R C -2.125 174.176 176.300 0.002 0.000 1.051 187 R CA 0.005 56.106 56.100 0.002 0.000 0.895 187 R CB 2.236 32.536 30.300 0.000 0.000 1.246 187 R HN 0.350 8.620 8.270 -0.000 0.000 0.459 188 A N 4.823 127.642 122.820 -0.002 0.000 2.741 188 A HA 0.464 4.785 4.320 0.001 0.000 0.298 188 A C -1.732 175.848 177.584 -0.008 0.000 1.153 188 A CA -0.472 51.563 52.037 -0.003 0.000 0.816 188 A CB 0.542 19.542 19.000 -0.000 0.000 1.396 188 A HN 0.476 8.626 8.150 -0.000 0.000 0.407 189 L N 2.287 123.503 121.223 -0.012 0.000 2.464 189 L HA 0.486 4.827 4.340 0.001 0.000 0.266 189 L C -2.637 174.220 176.870 -0.021 0.000 0.965 189 L CA -2.201 52.630 54.840 -0.016 0.000 0.833 189 L CB 3.000 45.050 42.059 -0.015 0.000 1.296 189 L HN 0.337 8.567 8.230 -0.000 0.000 0.405 190 P HA 0.081 4.501 4.420 -0.000 0.000 0.266 190 P C -0.895 176.384 177.300 -0.036 0.000 1.193 190 P CA 0.210 63.290 63.100 -0.033 0.000 0.770 190 P CB 0.528 32.208 31.700 -0.034 0.000 0.836 191 L N 4.775 125.971 121.223 -0.045 0.000 2.344 191 L HA 0.386 4.727 4.340 0.001 0.000 0.272 191 L C -1.733 175.104 176.870 -0.056 0.000 1.035 191 L CA -2.049 52.764 54.840 -0.046 0.000 0.807 191 L CB 1.288 43.319 42.059 -0.046 0.000 1.237 191 L HN 0.245 8.475 8.230 -0.000 0.000 0.442 192 P HA 0.117 4.537 4.420 -0.000 0.000 0.225 192 P C -1.009 176.251 177.300 -0.067 0.000 1.768 192 P CA 0.187 63.257 63.100 -0.051 0.000 0.943 192 P CB -0.110 31.568 31.700 -0.037 0.000 1.936 193 V N 0.370 120.223 119.914 -0.102 0.000 2.823 193 V HA 0.303 4.424 4.120 0.001 0.000 0.312 193 V C 1.084 177.056 176.094 -0.204 0.000 1.072 193 V CA -0.365 61.835 62.300 -0.167 0.000 0.937 193 V CB 2.178 33.868 31.823 -0.221 0.000 1.013 193 V HN 0.215 8.405 8.190 -0.000 0.000 0.430 194 S N 0.786 116.339 115.700 -0.244 0.000 2.539 194 S HA 0.650 5.121 4.470 0.001 0.000 0.221 194 S C 0.279 174.740 174.600 -0.233 0.000 0.987 194 S CA 0.323 58.411 58.200 -0.187 0.000 0.929 194 S CB 0.537 63.667 63.200 -0.117 0.000 0.832 194 S HN 1.325 9.635 8.310 -0.000 0.000 0.492 195 A N 2.090 124.654 122.820 -0.428 0.000 2.520 195 A HA 0.739 5.060 4.320 0.001 0.000 0.298 195 A C -3.144 174.114 177.584 -0.543 0.000 1.051 195 A CA -1.673 50.114 52.037 -0.417 0.000 0.690 195 A CB 1.222 20.019 19.000 -0.337 0.000 1.281 195 A HN 0.087 8.237 8.150 -0.000 0.000 0.402 196 P HA 0.303 4.723 4.420 -0.000 0.000 0.214 196 P C -0.747 176.569 177.300 0.027 0.000 1.826 196 P CA -0.140 62.888 63.100 -0.121 0.000 0.977 196 P CB -0.668 31.003 31.700 -0.048 0.000 1.930 197 F N 1.842 121.765 119.950 -0.045 0.000 2.602 197 F HA 0.042 4.568 4.527 -0.000 0.000 0.367 197 F C 2.021 177.806 175.800 -0.025 0.000 1.126 197 F CA 0.340 58.275 58.000 -0.110 0.000 1.321 197 F CB -0.641 38.304 39.000 -0.091 0.000 1.094 197 F HN 0.428 8.728 8.300 -0.000 0.000 0.594 198 H N -1.762 117.419 119.070 0.185 0.000 3.395 198 H HA -0.188 4.369 4.556 0.001 0.000 0.222 198 H C 0.601 175.968 175.328 0.064 0.000 1.099 198 H CA 0.671 56.775 56.048 0.093 0.000 1.182 198 H CB -1.467 28.340 29.762 0.074 0.000 1.188 198 H HN 0.481 8.761 8.280 -0.000 0.000 0.317 199 S N 0.109 115.884 115.700 0.124 0.000 2.646 199 S HA 0.382 4.852 4.470 0.001 0.000 0.276 199 S C 1.648 176.284 174.600 0.061 0.000 1.222 199 S CA -0.011 58.236 58.200 0.079 0.000 1.014 199 S CB 2.202 65.433 63.200 0.051 0.000 0.991 199 S HN 0.320 8.630 8.310 -0.000 0.000 0.533 200 S N 1.863 117.594 115.700 0.052 0.000 2.440 200 S HA -0.107 4.364 4.470 0.001 0.000 0.238 200 S C 1.674 176.294 174.600 0.032 0.000 1.010 200 S CA 0.939 59.164 58.200 0.042 0.000 0.972 200 S CB -1.061 62.163 63.200 0.039 0.000 0.774 200 S HN 0.706 9.016 8.310 -0.000 0.000 0.501 201 L N -0.334 120.906 121.223 0.028 0.000 2.353 201 L HA 0.050 4.391 4.340 0.001 0.000 0.220 201 L C 1.913 178.797 176.870 0.022 0.000 1.133 201 L CA 0.608 55.461 54.840 0.020 0.000 0.798 201 L CB -0.586 41.481 42.059 0.013 0.000 0.922 201 L HN 0.313 8.543 8.230 -0.000 0.000 0.445 202 L N 0.059 121.300 121.223 0.028 0.000 2.627 202 L HA -0.004 4.337 4.340 0.001 0.000 0.232 202 L C 2.191 179.069 176.870 0.012 0.000 1.150 202 L CA 0.730 55.584 54.840 0.022 0.000 0.917 202 L CB -0.577 41.495 42.059 0.023 0.000 1.104 202 L HN 0.123 8.353 8.230 -0.000 0.000 0.445 203 K N 0.654 121.065 120.400 0.019 0.000 2.127 203 K HA -0.188 4.133 4.320 0.001 0.000 0.208 203 K C -0.757 175.854 176.600 0.019 0.000 1.047 203 K CA 1.661 57.961 56.287 0.021 0.000 0.927 203 K CB -0.668 31.846 32.500 0.023 0.000 0.716 203 K HN 0.247 8.497 8.250 -0.000 0.000 0.450 204 P HA -0.091 4.329 4.420 -0.000 0.000 0.220 204 P C 0.824 178.132 177.300 0.013 0.000 1.148 204 P CA 1.589 64.698 63.100 0.016 0.000 0.803 204 P CB -0.024 31.681 31.700 0.009 0.000 0.782 205 A N -0.566 122.250 122.820 -0.006 0.000 1.898 205 A HA -0.151 4.170 4.320 0.001 0.000 0.216 205 A C 2.367 179.960 177.584 0.014 0.000 1.181 205 A CA 1.990 54.010 52.037 -0.028 0.000 0.620 205 A CB -1.510 17.445 19.000 -0.073 0.000 0.819 205 A HN 0.105 8.255 8.150 -0.000 0.000 0.442 206 S N 0.304 116.016 115.700 0.020 0.000 2.370 206 S HA -0.170 4.300 4.470 0.001 0.000 0.226 206 S C 1.605 176.246 174.600 0.067 0.000 1.033 206 S CA 1.510 59.736 58.200 0.045 0.000 1.011 206 S CB -0.433 62.789 63.200 0.037 0.000 0.852 206 S HN 0.607 8.917 8.310 -0.000 0.000 0.457 207 D N 1.086 121.523 120.400 0.060 0.000 2.117 207 D HA -0.046 4.594 4.640 0.001 0.000 0.198 207 D C 1.924 178.288 176.300 0.107 0.000 0.982 207 D CA 0.992 55.033 54.000 0.069 0.000 0.828 207 D CB -0.175 40.657 40.800 0.053 0.000 0.967 207 D HN 0.386 8.756 8.370 -0.000 0.000 0.464 208 K N 0.273 120.757 120.400 0.141 0.000 2.057 208 K HA -0.023 4.298 4.320 0.001 0.000 0.206 208 K C 2.340 179.159 176.600 0.365 0.000 1.050 208 K CA 0.415 56.862 56.287 0.267 0.000 0.935 208 K CB -0.100 32.562 32.500 0.271 0.000 0.715 208 K HN 0.096 8.346 8.250 -0.000 0.000 0.439 209 L N 0.711 122.113 121.223 0.299 0.000 2.083 209 L HA -0.186 4.154 4.340 0.001 0.000 0.209 209 L C 2.729 179.710 176.870 0.185 0.000 1.083 209 L CA 1.151 56.156 54.840 0.275 0.000 0.752 209 L CB -0.281 41.889 42.059 0.186 0.000 0.899 209 L HN 0.188 8.418 8.230 -0.000 0.000 0.433 210 R N 0.269 120.847 120.500 0.130 0.000 2.073 210 R HA -0.197 4.143 4.340 0.001 0.000 0.234 210 R C 2.108 178.446 176.300 0.063 0.000 1.134 210 R CA 1.766 57.916 56.100 0.083 0.000 0.952 210 R CB -0.090 30.245 30.300 0.060 0.000 0.850 210 R HN 0.424 8.694 8.270 -0.000 0.000 0.433 211 E N -0.803 119.438 120.200 0.069 0.000 2.051 211 E HA -0.254 4.097 4.350 0.001 0.000 0.192 211 E C 1.796 178.376 176.600 -0.033 0.000 0.991 211 E CA 1.574 57.987 56.400 0.022 0.000 0.799 211 E CB -0.274 29.450 29.700 0.040 0.000 0.748 211 E HN 0.417 8.777 8.360 -0.000 0.000 0.449 212 Y N 1.233 121.429 120.300 -0.173 0.000 2.145 212 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 212 Y C 2.035 177.827 175.900 -0.181 0.000 1.145 212 Y CA 1.338 59.237 58.100 -0.336 0.000 1.148 212 Y CB -0.033 37.998 38.460 -0.716 0.000 0.981 212 Y HN -0.056 8.224 8.280 -0.000 0.000 0.507 213 L N -0.275 121.036 121.223 0.146 0.000 2.265 213 L HA -0.200 4.141 4.340 0.001 0.000 0.215 213 L C 2.674 179.535 176.870 -0.014 0.000 1.117 213 L CA 0.787 55.685 54.840 0.097 0.000 0.782 213 L CB -0.766 41.359 42.059 0.110 0.000 0.914 213 L HN 0.345 8.575 8.230 -0.000 0.000 0.441 214 A N 0.263 123.056 122.820 -0.045 0.000 1.986 214 A HA -0.171 4.149 4.320 0.001 0.000 0.220 214 A C 2.183 179.707 177.584 -0.100 0.000 1.171 214 A CA 1.850 53.849 52.037 -0.063 0.000 0.640 214 A CB -0.916 18.048 19.000 -0.060 0.000 0.811 214 A HN 0.450 8.600 8.150 -0.000 0.000 0.451 215 G N -1.394 107.301 108.800 -0.175 0.000 3.189 215 G HA2 0.403 4.364 3.960 0.001 0.000 0.225 215 G HA3 0.403 4.364 3.960 0.001 0.000 0.225 215 G C 0.037 174.831 174.900 -0.177 0.000 1.159 215 G CA 0.256 45.237 45.100 -0.198 0.000 0.763 215 G HN 0.231 8.521 8.290 -0.000 0.000 0.549 216 V N 0.872 120.714 119.914 -0.120 0.000 2.427 216 V HA 0.221 4.341 4.120 0.001 0.000 0.286 216 V C -0.620 175.453 176.094 -0.036 0.000 1.034 216 V CA -1.021 61.242 62.300 -0.060 0.000 0.893 216 V CB 1.832 33.666 31.823 0.020 0.000 0.982 216 V HN 0.146 8.336 8.190 -0.000 0.000 0.452 217 D N 4.227 124.608 120.400 -0.031 0.000 2.359 217 D HA 0.255 4.895 4.640 0.001 0.000 0.250 217 D C -0.422 175.870 176.300 -0.014 0.000 1.264 217 D CA 0.257 54.243 54.000 -0.023 0.000 0.911 217 D CB 0.723 41.510 40.800 -0.020 0.000 1.056 217 D HN 0.248 8.618 8.370 -0.000 0.000 0.499 218 V N 5.123 125.027 119.914 -0.016 0.000 2.472 218 V HA 0.370 4.490 4.120 0.001 0.000 0.290 218 V C 0.539 176.622 176.094 -0.018 0.000 1.037 218 V CA -0.718 61.571 62.300 -0.018 0.000 0.908 218 V CB 1.697 33.506 31.823 -0.023 0.000 0.985 218 V HN 0.369 8.559 8.190 -0.000 0.000 0.454 219 K N 2.378 122.767 120.400 -0.018 0.000 2.221 219 K HA 0.750 5.070 4.320 0.001 0.000 0.243 219 K C -0.184 176.405 176.600 -0.018 0.000 0.968 219 K CA -0.657 55.621 56.287 -0.015 0.000 0.846 219 K CB 2.321 34.816 32.500 -0.008 0.000 1.141 219 K HN 0.741 8.991 8.250 -0.000 0.000 0.434 220 A N 3.100 125.912 122.820 -0.014 0.000 2.520 220 A HA 0.240 4.560 4.320 0.001 0.000 0.245 220 A C -2.033 175.542 177.584 -0.014 0.000 1.072 220 A CA -0.807 51.221 52.037 -0.015 0.000 0.761 220 A CB -0.690 18.303 19.000 -0.011 0.000 1.004 220 A HN 0.319 8.469 8.150 -0.000 0.000 0.499 221 P HA 0.153 4.573 4.420 -0.000 0.000 0.275 221 P C 0.211 177.506 177.300 -0.008 0.000 1.228 221 P CA -0.284 62.804 63.100 -0.019 0.000 0.786 221 P CB 0.738 32.421 31.700 -0.028 0.000 0.927 222 K N 1.664 122.064 120.400 -0.001 0.000 2.393 222 K HA 0.198 4.519 4.320 0.001 0.000 0.193 222 K C 0.206 176.808 176.600 0.004 0.000 1.026 222 K CA 0.402 56.693 56.287 0.007 0.000 1.064 222 K CB 0.116 32.628 32.500 0.021 0.000 0.833 222 K HN 0.376 8.626 8.250 -0.000 0.000 0.521 223 I N 1.501 122.070 120.570 -0.003 0.000 2.647 223 I HA 0.125 4.296 4.170 0.001 0.000 0.295 223 I C -0.614 175.497 176.117 -0.009 0.000 1.078 223 I CA -1.196 60.099 61.300 -0.008 0.000 1.048 223 I CB 2.294 40.289 38.000 -0.008 0.000 1.239 223 I HN -0.053 8.157 8.210 -0.000 0.000 0.421 224 S N 3.854 119.550 115.700 -0.006 0.000 2.525 224 S HA 0.198 4.669 4.470 0.001 0.000 0.285 224 S C -0.139 174.461 174.600 0.000 0.000 1.283 224 S CA -0.432 57.767 58.200 -0.001 0.000 1.072 224 S CB 0.404 63.613 63.200 0.015 0.000 0.867 224 S HN 0.306 8.616 8.310 -0.000 0.000 0.492 225 V N 4.642 124.546 119.914 -0.016 0.000 2.417 225 V HA 0.379 4.499 4.120 0.001 0.000 0.291 225 V C 0.047 176.106 176.094 -0.059 0.000 1.024 225 V CA -0.782 61.508 62.300 -0.017 0.000 0.861 225 V CB 1.686 33.492 31.823 -0.030 0.000 0.985 225 V HN 0.625 8.815 8.190 -0.000 0.000 0.436 226 V N 6.349 126.217 119.914 -0.077 0.000 2.383 226 V HA 0.471 4.591 4.120 0.001 0.000 0.275 226 V C 0.063 176.100 176.094 -0.095 0.000 1.036 226 V CA -0.521 61.671 62.300 -0.182 0.000 0.889 226 V CB 1.492 33.099 31.823 -0.360 0.000 0.985 226 V HN 1.113 9.303 8.190 -0.000 0.000 0.459 227 N N 4.335 122.976 118.700 -0.098 0.000 2.515 227 N HA 0.250 4.990 4.740 0.001 0.000 0.279 227 N C 0.482 175.984 175.510 -0.015 0.000 1.164 227 N CA -0.213 52.812 53.050 -0.041 0.000 0.982 227 N CB 0.289 38.747 38.487 -0.049 0.000 1.170 227 N HN 0.623 9.003 8.380 -0.000 0.000 0.474 228 N N -0.047 118.672 118.700 0.030 0.000 2.188 228 N HA -0.105 4.635 4.740 0.001 0.000 0.184 228 N C 1.110 176.639 175.510 0.033 0.000 1.018 228 N CA 0.655 53.736 53.050 0.051 0.000 0.858 228 N CB -0.128 38.380 38.487 0.035 0.000 0.989 228 N HN 0.506 8.886 8.380 -0.000 0.000 0.426 229 I N 1.045 121.631 120.570 0.026 0.000 2.286 229 I HA -0.151 4.019 4.170 0.001 0.000 0.245 229 I C 0.672 176.803 176.117 0.023 0.000 1.104 229 I CA 1.659 62.982 61.300 0.038 0.000 1.397 229 I CB 0.165 38.190 38.000 0.042 0.000 1.072 229 I HN 0.008 8.218 8.210 -0.000 0.000 0.417 230 D N -0.701 119.698 120.400 -0.002 0.000 2.441 230 D HA 0.191 4.832 4.640 0.001 0.000 0.210 230 D C 0.611 176.889 176.300 -0.037 0.000 1.102 230 D CA 0.487 54.479 54.000 -0.013 0.000 0.840 230 D CB 0.730 41.520 40.800 -0.017 0.000 0.990 230 D HN 0.047 8.418 8.370 -0.000 0.000 0.505 231 V N 0.298 120.177 119.914 -0.059 0.000 5.325 231 V HA -0.249 3.872 4.120 0.001 0.000 0.291 231 V C 0.364 176.352 176.094 -0.176 0.000 0.541 231 V CA 0.696 62.926 62.300 -0.118 0.000 0.687 231 V CB -2.586 29.194 31.823 -0.072 0.000 0.491 231 V HN 0.370 8.560 8.190 -0.000 0.000 1.145 232 A N -0.417 122.311 122.820 -0.153 0.000 2.355 232 A HA 0.870 5.190 4.320 0.001 0.000 0.324 232 A C -0.515 176.973 177.584 -0.160 0.000 1.117 232 A CA -0.523 51.434 52.037 -0.132 0.000 0.785 232 A CB 2.132 21.095 19.000 -0.062 0.000 1.254 232 A HN 0.871 9.021 8.150 -0.000 0.000 0.453 233 V N 2.789 122.626 119.914 -0.128 0.000 2.318 233 V HA 0.472 4.592 4.120 0.001 0.000 0.271 233 V C 0.029 176.099 176.094 -0.041 0.000 1.030 233 V CA -0.320 61.931 62.300 -0.082 0.000 0.844 233 V CB 0.606 32.408 31.823 -0.036 0.000 1.015 233 V HN 0.910 9.100 8.190 -0.000 0.000 0.460 234 V N 2.455 122.344 119.914 -0.042 0.000 2.715 234 V HA 0.746 4.866 4.120 0.001 0.000 0.310 234 V C 0.589 176.666 176.094 -0.028 0.000 1.054 234 V CA 0.201 62.482 62.300 -0.030 0.000 0.928 234 V CB 1.920 33.723 31.823 -0.032 0.000 1.007 234 V HN 0.724 8.914 8.190 -0.000 0.000 0.437 235 S N 0.533 116.221 115.700 -0.021 0.000 2.514 235 S HA 0.127 4.598 4.470 0.001 0.000 0.223 235 S C 0.545 175.133 174.600 -0.019 0.000 1.046 235 S CA 0.530 58.719 58.200 -0.019 0.000 0.914 235 S CB -0.240 62.953 63.200 -0.013 0.000 0.807 235 S HN 0.922 9.232 8.310 -0.000 0.000 0.497 236 D N 3.673 124.062 120.400 -0.018 0.000 2.401 236 D HA 0.265 4.906 4.640 0.001 0.000 0.254 236 D C -1.643 174.644 176.300 -0.021 0.000 1.192 236 D CA -1.762 52.227 54.000 -0.017 0.000 0.885 236 D CB 1.142 41.934 40.800 -0.014 0.000 1.147 236 D HN -0.023 8.347 8.370 -0.000 0.000 0.478 237 P HA -0.205 4.215 4.420 -0.000 0.000 0.216 237 P C 0.930 178.217 177.300 -0.022 0.000 1.153 237 P CA 1.897 64.983 63.100 -0.023 0.000 0.858 237 P CB 0.078 31.767 31.700 -0.020 0.000 0.789 238 A N -0.236 122.574 122.820 -0.017 0.000 1.908 238 A HA -0.161 4.159 4.320 0.001 0.000 0.218 238 A C 2.313 179.889 177.584 -0.014 0.000 1.181 238 A CA 2.231 54.260 52.037 -0.014 0.000 0.627 238 A CB -1.594 17.400 19.000 -0.011 0.000 0.818 238 A HN 0.211 8.361 8.150 -0.000 0.000 0.445 239 A N -0.222 122.588 122.820 -0.017 0.000 1.930 239 A HA -0.021 4.299 4.320 0.001 0.000 0.217 239 A C 2.110 179.677 177.584 -0.028 0.000 1.175 239 A CA 1.388 53.413 52.037 -0.019 0.000 0.627 239 A CB -0.549 18.440 19.000 -0.019 0.000 0.815 239 A HN 0.500 8.650 8.150 -0.000 0.000 0.443 240 I N -0.336 120.212 120.570 -0.037 0.000 2.179 240 I HA -0.291 3.880 4.170 0.001 0.000 0.242 240 I C 2.461 178.542 176.117 -0.061 0.000 1.088 240 I CA 1.623 62.889 61.300 -0.058 0.000 1.357 240 I CB -0.330 37.631 38.000 -0.064 0.000 1.051 240 I HN 0.292 8.502 8.210 -0.000 0.000 0.409 241 K N 0.410 120.786 120.400 -0.040 0.000 2.044 241 K HA -0.283 4.038 4.320 0.001 0.000 0.210 241 K C 1.799 178.394 176.600 -0.008 0.000 1.049 241 K CA 2.276 58.551 56.287 -0.021 0.000 0.927 241 K CB -0.391 32.107 32.500 -0.003 0.000 0.713 241 K HN 0.269 8.519 8.250 -0.000 0.000 0.443 242 D N 0.308 120.704 120.400 -0.007 0.000 2.144 242 D HA -0.113 4.527 4.640 0.001 0.000 0.199 242 D C 1.752 178.053 176.300 0.003 0.000 0.984 242 D CA 1.225 55.228 54.000 0.004 0.000 0.834 242 D CB 0.051 40.853 40.800 0.003 0.000 0.955 242 D HN 0.224 8.594 8.370 -0.000 0.000 0.465 243 A N -0.021 122.790 122.820 -0.014 0.000 1.933 243 A HA -0.085 4.236 4.320 0.001 0.000 0.218 243 A C 2.335 179.910 177.584 -0.015 0.000 1.175 243 A CA 0.953 52.980 52.037 -0.016 0.000 0.628 243 A CB -0.731 18.248 19.000 -0.035 0.000 0.814 243 A HN 0.364 8.514 8.150 -0.000 0.000 0.444 244 L N -0.719 120.478 121.223 -0.042 0.000 2.093 244 L HA -0.135 4.206 4.340 0.001 0.000 0.208 244 L C 2.508 179.414 176.870 0.059 0.000 1.085 244 L CA 0.850 55.670 54.840 -0.033 0.000 0.755 244 L CB -0.578 41.408 42.059 -0.121 0.000 0.904 244 L HN 0.236 8.466 8.230 -0.000 0.000 0.435 245 V N 0.020 119.965 119.914 0.052 0.000 2.261 245 V HA -0.285 3.835 4.120 0.001 0.000 0.246 245 V C 2.587 178.715 176.094 0.057 0.000 1.047 245 V CA 1.846 64.184 62.300 0.064 0.000 1.015 245 V CB -0.563 31.292 31.823 0.054 0.000 0.642 245 V HN 0.414 8.604 8.190 -0.000 0.000 0.446 246 R N -0.632 119.897 120.500 0.049 0.000 2.148 246 R HA -0.124 4.216 4.340 0.001 0.000 0.223 246 R C 2.385 178.731 176.300 0.077 0.000 1.088 246 R CA 0.907 57.039 56.100 0.054 0.000 0.985 246 R CB -0.296 30.030 30.300 0.044 0.000 0.880 246 R HN 0.577 8.847 8.270 -0.000 0.000 0.451 247 Q N 0.736 120.589 119.800 0.088 0.000 2.152 247 Q HA -0.188 4.153 4.340 0.001 0.000 0.206 247 Q C 1.876 177.997 176.000 0.203 0.000 0.985 247 Q CA 1.880 57.771 55.803 0.147 0.000 0.863 247 Q CB -0.055 28.768 28.738 0.142 0.000 0.904 247 Q HN 0.372 8.642 8.270 -0.000 0.000 0.422 248 A N -0.013 122.851 122.820 0.073 0.000 2.015 248 A HA 0.042 4.363 4.320 0.001 0.000 0.219 248 A C 1.743 179.241 177.584 -0.144 0.000 1.163 248 A CA 1.489 53.459 52.037 -0.112 0.000 0.646 248 A CB -0.205 18.736 19.000 -0.098 0.000 0.806 248 A HN 0.442 8.592 8.150 -0.000 0.000 0.448 249 A N -1.268 121.558 122.820 0.011 0.000 2.589 249 A HA 0.578 4.899 4.320 0.001 0.000 0.283 249 A C 0.753 178.394 177.584 0.096 0.000 1.187 249 A CA 0.506 52.564 52.037 0.035 0.000 0.957 249 A CB -0.250 18.767 19.000 0.028 0.000 1.175 249 A HN 0.883 9.033 8.150 -0.000 0.000 0.532 250 G N 0.030 108.927 108.800 0.163 0.000 2.680 250 G HA2 0.640 4.600 3.960 0.001 0.000 0.290 250 G HA3 0.640 4.600 3.960 0.001 0.000 0.290 250 G C -3.406 171.615 174.900 0.200 0.000 1.355 250 G CA -1.782 43.413 45.100 0.159 0.000 0.903 250 G HN -0.054 8.236 8.290 -0.000 0.000 0.474 251 P HA 0.203 4.623 4.420 -0.000 0.000 0.271 251 P C -0.148 177.181 177.300 0.049 0.000 1.216 251 P CA -0.138 63.024 63.100 0.104 0.000 0.771 251 P CB 1.474 33.313 31.700 0.231 0.000 0.864 252 V N 5.943 125.796 119.914 -0.101 0.000 2.389 252 V HA 0.173 4.294 4.120 0.001 0.000 0.264 252 V C 1.316 177.462 176.094 0.086 0.000 1.049 252 V CA -0.085 62.128 62.300 -0.145 0.000 0.932 252 V CB -0.235 31.292 31.823 -0.493 0.000 1.011 252 V HN 0.417 8.607 8.190 -0.000 0.000 0.475 253 R N 4.843 125.434 120.500 0.152 0.000 3.956 253 R HA 0.112 4.453 4.340 0.001 0.000 0.237 253 R C 0.991 177.399 176.300 0.179 0.000 1.552 253 R CA -0.244 55.987 56.100 0.218 0.000 1.529 253 R CB 0.228 30.593 30.300 0.108 0.000 1.376 253 R HN 0.903 9.173 8.270 -0.000 0.000 0.733 254 W N 1.544 122.874 121.300 0.051 0.000 2.409 254 W HA -0.163 4.497 4.660 0.000 0.000 0.299 254 W C 0.988 177.555 176.519 0.080 0.000 1.203 254 W CA 1.130 58.499 57.345 0.039 0.000 1.298 254 W CB 0.137 29.645 29.460 0.080 0.000 1.127 254 W HN 0.136 8.316 8.180 -0.000 0.000 0.528 255 V N 1.615 121.571 119.914 0.071 0.000 2.250 255 V HA -0.358 3.763 4.120 0.001 0.000 0.250 255 V C 2.126 178.133 176.094 -0.145 0.000 1.060 255 V CA 2.542 64.817 62.300 -0.041 0.000 1.030 255 V CB -1.092 30.771 31.823 0.066 0.000 0.643 255 V HN 0.179 8.369 8.190 -0.000 0.000 0.445 256 E N -1.163 118.978 120.200 -0.099 0.000 2.153 256 E HA -0.211 4.139 4.350 0.001 0.000 0.194 256 E C 2.241 178.761 176.600 -0.135 0.000 0.988 256 E CA 1.557 57.900 56.400 -0.097 0.000 0.811 256 E CB -0.292 29.369 29.700 -0.065 0.000 0.746 256 E HN 0.636 8.996 8.360 -0.000 0.000 0.466 257 C N 0.187 119.335 119.300 -0.253 0.000 2.432 257 C HA -0.097 4.363 4.460 0.001 0.000 0.277 257 C C 2.715 177.493 174.990 -0.353 0.000 1.249 257 C CA 0.336 59.156 59.018 -0.329 0.000 1.725 257 C CB -0.660 26.783 27.740 -0.496 0.000 2.028 257 C HN 0.264 8.494 8.230 -0.000 0.000 0.477 258 V N 0.559 120.147 119.914 -0.543 0.000 2.343 258 V HA -0.282 3.839 4.120 0.001 0.000 0.247 258 V C 2.443 178.440 176.094 -0.161 0.000 1.051 258 V CA 1.970 64.048 62.300 -0.369 0.000 1.036 258 V CB -0.858 30.733 31.823 -0.386 0.000 0.654 258 V HN 0.624 8.814 8.190 -0.000 0.000 0.451 259 Q N -0.814 118.908 119.800 -0.129 0.000 2.124 259 Q HA -0.253 4.087 4.340 0.001 0.000 0.202 259 Q C 2.181 178.153 176.000 -0.046 0.000 0.977 259 Q CA 1.982 57.742 55.803 -0.071 0.000 0.850 259 Q CB -0.323 28.378 28.738 -0.061 0.000 0.901 259 Q HN 0.843 9.113 8.270 -0.000 0.000 0.429 260 H N 0.562 119.561 119.070 -0.118 0.000 2.353 260 H HA -0.099 4.458 4.556 0.001 0.000 0.300 260 H C 1.845 177.125 175.328 -0.080 0.000 1.090 260 H CA 1.692 57.685 56.048 -0.091 0.000 1.327 260 H CB 0.019 29.724 29.762 -0.094 0.000 1.383 260 H HN 0.141 8.421 8.280 -0.000 0.000 0.508 261 I N 0.378 120.989 120.570 0.068 0.000 2.179 261 I HA -0.282 3.889 4.170 0.001 0.000 0.242 261 I C 2.768 178.864 176.117 -0.035 0.000 1.088 261 I CA 1.068 62.388 61.300 0.033 0.000 1.357 261 I CB -0.496 37.511 38.000 0.012 0.000 1.051 261 I HN 0.471 8.681 8.210 -0.000 0.000 0.409 262 A N 0.712 123.503 122.820 -0.048 0.000 1.908 262 A HA -0.218 4.102 4.320 0.001 0.000 0.218 262 A C 2.351 179.888 177.584 -0.077 0.000 1.181 262 A CA 1.556 53.562 52.037 -0.051 0.000 0.627 262 A CB -0.612 18.362 19.000 -0.044 0.000 0.818 262 A HN 0.342 8.492 8.150 -0.000 0.000 0.445 263 R N -0.379 120.050 120.500 -0.119 0.000 2.237 263 R HA -0.037 4.303 4.340 0.001 0.000 0.219 263 R C 0.881 177.087 176.300 -0.157 0.000 1.080 263 R CA 0.847 56.861 56.100 -0.142 0.000 0.995 263 R CB -0.062 30.129 30.300 -0.182 0.000 0.875 263 R HN 0.471 8.741 8.270 -0.000 0.000 0.462 264 E N -0.230 119.872 120.200 -0.164 0.000 2.502 264 E HA 0.018 4.368 4.350 0.001 0.000 0.194 264 E C 1.014 177.570 176.600 -0.073 0.000 1.062 264 E CA 0.543 56.870 56.400 -0.121 0.000 0.867 264 E CB 0.483 30.125 29.700 -0.097 0.000 0.888 264 E HN 0.515 8.875 8.360 -0.000 0.000 0.510 265 G N 0.854 109.613 108.800 -0.067 0.000 2.143 265 G HA2 -0.278 3.682 3.960 0.001 0.000 0.249 265 G HA3 -0.278 3.682 3.960 0.001 0.000 0.249 265 G C 0.401 175.271 174.900 -0.051 0.000 0.981 265 G CA 0.311 45.379 45.100 -0.053 0.000 0.665 265 G HN 0.179 8.469 8.290 -0.000 0.000 0.528 266 V N 1.644 121.533 119.914 -0.041 0.000 2.508 266 V HA 0.475 4.595 4.120 0.001 0.000 0.281 266 V C 1.620 177.693 176.094 -0.036 0.000 1.041 266 V CA 1.065 63.350 62.300 -0.025 0.000 1.016 266 V CB 1.139 32.971 31.823 0.015 0.000 0.984 266 V HN 0.693 8.883 8.190 -0.000 0.000 0.478 267 T N 0.279 114.773 114.554 -0.100 0.000 2.971 267 T HA 0.201 4.551 4.350 0.001 0.000 0.252 267 T C 0.426 175.139 174.700 0.021 0.000 1.022 267 T CA 0.122 62.164 62.100 -0.096 0.000 0.980 267 T CB -0.130 68.619 68.868 -0.198 0.000 1.044 267 T HN 0.694 8.934 8.240 -0.000 0.000 0.501 268 H N 0.700 119.841 119.070 0.119 0.000 2.541 268 H HA 0.648 5.204 4.556 0.001 0.000 0.316 268 H C -1.255 174.178 175.328 0.175 0.000 1.043 268 H CA -0.993 55.138 56.048 0.138 0.000 1.232 268 H CB 1.738 31.600 29.762 0.166 0.000 1.406 268 H HN 0.021 8.301 8.280 -0.000 0.000 0.469 269 V N 6.095 126.152 119.914 0.240 0.000 2.376 269 V HA 0.250 4.370 4.120 0.001 0.000 0.287 269 V C -0.091 176.056 176.094 0.087 0.000 1.015 269 V CA -0.505 61.900 62.300 0.175 0.000 0.834 269 V CB 1.160 33.057 31.823 0.125 0.000 1.001 269 V HN 0.679 8.869 8.190 -0.000 0.000 0.428 270 I N 3.763 124.355 120.570 0.037 0.000 2.339 270 I HA 0.375 4.545 4.170 0.001 0.000 0.290 270 I C 0.398 176.278 176.117 -0.396 0.000 0.994 270 I CA -0.374 60.791 61.300 -0.225 0.000 1.191 270 I CB 1.712 39.462 38.000 -0.418 0.000 1.343 270 I HN 0.670 8.880 8.210 -0.000 0.000 0.458 271 E N 6.009 126.041 120.200 -0.279 0.000 2.257 271 E HA 0.102 4.453 4.350 0.001 0.000 0.278 271 E C -1.116 175.234 176.600 -0.417 0.000 1.049 271 E CA -0.443 55.795 56.400 -0.270 0.000 0.876 271 E CB 1.056 30.696 29.700 -0.100 0.000 1.035 271 E HN 0.654 9.014 8.360 -0.000 0.000 0.419 272 C N 5.521 124.476 119.300 -0.575 0.000 2.225 272 C HA 0.865 5.325 4.460 0.001 0.000 0.323 272 C C 0.273 175.214 174.990 -0.081 0.000 1.164 272 C CA 0.855 59.580 59.018 -0.488 0.000 1.565 272 C CB -1.409 25.878 27.740 -0.755 0.000 2.124 272 C HN 0.910 9.140 8.230 -0.000 0.000 0.461 273 G N 6.949 115.787 108.800 0.062 0.000 2.353 273 G HA2 0.174 4.135 3.960 0.001 0.000 0.424 273 G HA3 0.174 4.135 3.960 0.001 0.000 0.424 273 G C -3.445 171.554 174.900 0.164 0.000 1.320 273 G CA -0.680 44.520 45.100 0.167 0.000 0.995 273 G HN 0.482 8.772 8.290 -0.000 0.000 0.580 274 P HA 0.524 4.944 4.420 -0.000 0.000 0.279 274 P C 0.897 178.162 177.300 -0.058 0.000 1.252 274 P CA 1.309 64.439 63.100 0.050 0.000 0.811 274 P CB 1.475 33.216 31.700 0.069 0.000 1.035 275 G N 1.152 109.846 108.800 -0.177 0.000 2.253 275 G HA2 -0.234 3.727 3.960 0.001 0.000 0.209 275 G HA3 -0.234 3.727 3.960 0.001 0.000 0.209 275 G C 0.524 175.313 174.900 -0.185 0.000 0.997 275 G CA 0.188 45.190 45.100 -0.163 0.000 0.640 275 G HN 0.555 8.845 8.290 -0.000 0.000 0.496 276 K N -1.004 119.277 120.400 -0.198 0.000 3.426 276 K HA -0.270 4.050 4.320 0.001 0.000 0.315 276 K C 1.603 178.144 176.600 -0.099 0.000 1.293 276 K CA 1.164 57.360 56.287 -0.151 0.000 0.955 276 K CB -2.180 30.210 32.500 -0.183 0.000 1.238 276 K HN 0.644 8.894 8.250 -0.000 0.000 0.441 277 V N 1.067 120.916 119.914 -0.109 0.000 2.295 277 V HA -0.243 3.878 4.120 0.001 0.000 0.246 277 V C 2.356 178.399 176.094 -0.086 0.000 1.049 277 V CA 2.232 64.464 62.300 -0.113 0.000 1.024 277 V CB -0.384 31.341 31.823 -0.164 0.000 0.648 277 V HN 0.319 8.509 8.190 -0.000 0.000 0.447 278 L N -0.095 121.080 121.223 -0.080 0.000 2.156 278 L HA -0.048 4.292 4.340 0.001 0.000 0.208 278 L C 2.781 179.696 176.870 0.076 0.000 1.095 278 L CA 1.153 55.993 54.840 0.000 0.000 0.770 278 L CB -0.911 41.149 42.059 0.003 0.000 0.914 278 L HN 0.352 8.582 8.230 -0.000 0.000 0.439 279 A N 0.957 123.792 122.820 0.025 0.000 1.903 279 A HA -0.219 4.101 4.320 0.001 0.000 0.219 279 A C 2.405 180.016 177.584 0.044 0.000 1.191 279 A CA 2.158 54.215 52.037 0.033 0.000 0.638 279 A CB -1.373 17.633 19.000 0.010 0.000 0.823 279 A HN 0.443 8.593 8.150 -0.000 0.000 0.451 280 G N -0.477 108.338 108.800 0.024 0.000 2.422 280 G HA2 -0.128 3.833 3.960 0.001 0.000 0.218 280 G HA3 -0.128 3.833 3.960 0.001 0.000 0.218 280 G C 1.544 176.482 174.900 0.062 0.000 1.146 280 G CA 1.013 46.130 45.100 0.029 0.000 0.769 280 G HN 0.457 8.747 8.290 -0.000 0.000 0.547 281 L N 0.426 121.706 121.223 0.095 0.000 2.056 281 L HA -0.072 4.268 4.340 0.001 0.000 0.207 281 L C 3.149 180.121 176.870 0.171 0.000 1.078 281 L CA 1.478 56.416 54.840 0.163 0.000 0.749 281 L CB -1.031 41.188 42.059 0.267 0.000 0.901 281 L HN 0.146 8.376 8.230 -0.000 0.000 0.433 282 T N -0.064 114.592 114.554 0.170 0.000 2.684 282 T HA -0.207 4.143 4.350 0.001 0.000 0.267 282 T C 1.900 176.649 174.700 0.082 0.000 1.036 282 T CA 1.409 63.584 62.100 0.125 0.000 1.148 282 T CB -0.148 68.789 68.868 0.115 0.000 0.863 282 T HN 0.303 8.543 8.240 -0.000 0.000 0.436 283 K N 0.627 121.070 120.400 0.072 0.000 2.074 283 K HA -0.092 4.229 4.320 0.001 0.000 0.209 283 K C 2.608 179.238 176.600 0.051 0.000 1.048 283 K CA 1.076 57.395 56.287 0.053 0.000 0.926 283 K CB -0.101 32.424 32.500 0.043 0.000 0.713 283 K HN 0.201 8.451 8.250 -0.000 0.000 0.444 284 R N 0.543 121.079 120.500 0.060 0.000 2.090 284 R HA 0.004 4.345 4.340 0.001 0.000 0.228 284 R C 2.322 178.656 176.300 0.056 0.000 1.110 284 R CA 0.974 57.108 56.100 0.057 0.000 0.973 284 R CB -0.449 29.892 30.300 0.068 0.000 0.869 284 R HN 0.266 8.536 8.270 -0.000 0.000 0.440 285 I N 0.388 120.997 120.570 0.064 0.000 2.286 285 I HA -0.151 4.020 4.170 0.001 0.000 0.245 285 I C 0.299 176.431 176.117 0.024 0.000 1.104 285 I CA 1.109 62.436 61.300 0.045 0.000 1.397 285 I CB 0.075 38.096 38.000 0.036 0.000 1.072 285 I HN 0.008 8.218 8.210 -0.000 0.000 0.417 286 D N -0.528 119.888 120.400 0.027 0.000 2.419 286 D HA 0.156 4.796 4.640 0.001 0.000 0.219 286 D C 0.502 176.819 176.300 0.028 0.000 1.349 286 D CA -0.114 53.898 54.000 0.019 0.000 0.964 286 D CB 1.099 41.903 40.800 0.007 0.000 1.463 286 D HN 0.081 8.451 8.370 -0.000 0.000 0.573 287 G N 2.500 111.316 108.800 0.027 0.000 2.598 287 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 287 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 287 G C 1.087 176.006 174.900 0.032 0.000 1.131 287 G CA 0.091 45.209 45.100 0.030 0.000 0.785 287 G HN 0.427 8.717 8.290 -0.000 0.000 0.539 288 N N 0.224 118.941 118.700 0.028 0.000 2.457 288 N HA 0.062 4.802 4.740 0.001 0.000 0.180 288 N C 0.920 176.458 175.510 0.046 0.000 1.050 288 N CA 0.041 53.110 53.050 0.031 0.000 0.906 288 N CB 0.169 38.667 38.487 0.019 0.000 0.968 288 N HN 0.285 8.665 8.380 -0.000 0.000 0.445 289 L N 1.006 122.258 121.223 0.049 0.000 2.452 289 L HA 0.143 4.483 4.340 0.001 0.000 0.267 289 L C 0.125 177.055 176.870 0.099 0.000 1.188 289 L CA -0.243 54.640 54.840 0.072 0.000 0.821 289 L CB 0.795 42.892 42.059 0.063 0.000 1.102 289 L HN -0.228 8.002 8.230 -0.000 0.000 0.470 290 V N 1.660 121.671 119.914 0.162 0.000 2.357 290 V HA 0.475 4.595 4.120 0.001 0.000 0.284 290 V C 0.585 176.742 176.094 0.104 0.000 1.018 290 V CA -0.503 61.884 62.300 0.145 0.000 0.841 290 V CB 1.300 33.250 31.823 0.213 0.000 0.991 290 V HN 0.878 9.068 8.190 -0.000 0.000 0.437 291 G N 3.122 111.953 108.800 0.052 0.000 2.389 291 G HA2 0.797 4.758 3.960 0.001 0.000 0.317 291 G HA3 0.797 4.758 3.960 0.001 0.000 0.317 291 G C -0.388 174.507 174.900 -0.008 0.000 1.137 291 G CA 0.191 45.309 45.100 0.031 0.000 0.870 291 G HN 1.113 9.403 8.290 -0.000 0.000 0.496 292 A N 0.469 123.269 122.820 -0.033 0.000 2.533 292 A HA 0.944 5.265 4.320 0.001 0.000 0.293 292 A C -0.427 177.118 177.584 -0.065 0.000 1.228 292 A CA -0.616 51.391 52.037 -0.051 0.000 0.689 292 A CB 1.461 20.410 19.000 -0.085 0.000 1.303 292 A HN 1.224 9.374 8.150 -0.000 0.000 0.444 293 S N -1.123 114.549 115.700 -0.048 0.000 2.541 293 S HA 0.585 5.056 4.470 0.001 0.000 0.271 293 S C -1.424 173.122 174.600 -0.089 0.000 1.133 293 S CA -0.481 57.708 58.200 -0.019 0.000 0.876 293 S CB 1.788 65.123 63.200 0.225 0.000 1.105 293 S HN 0.968 9.278 8.310 -0.000 0.000 0.470 294 V N 3.762 123.611 119.914 -0.108 0.000 2.304 294 V HA 0.454 4.574 4.120 0.001 0.000 0.278 294 V C -0.546 175.615 176.094 0.112 0.000 1.018 294 V CA -0.374 61.882 62.300 -0.072 0.000 0.814 294 V CB -0.115 31.676 31.823 -0.052 0.000 1.021 294 V HN 0.986 9.176 8.190 -0.000 0.000 0.440 295 F N 1.339 121.331 119.950 0.070 0.000 2.915 295 F HA 0.590 5.117 4.527 0.001 0.000 0.347 295 F C -0.064 175.662 175.800 -0.124 0.000 1.104 295 F CA -0.609 57.443 58.000 0.087 0.000 1.126 295 F CB 0.425 39.430 39.000 0.010 0.000 1.145 295 F HN 0.488 8.788 8.300 -0.000 0.000 0.541 296 D N -1.271 118.706 120.400 -0.705 0.000 2.692 296 D HA 0.286 4.926 4.640 0.001 0.000 0.290 296 D C -2.835 172.970 176.300 -0.825 0.000 1.281 296 D CA -1.800 51.503 54.000 -1.161 0.000 0.804 296 D CB 1.059 41.501 40.800 -0.598 0.000 1.331 296 D HN -0.288 8.082 8.370 -0.000 0.000 0.432 297 P HA -0.007 4.413 4.420 -0.000 0.000 0.216 297 P C 1.218 178.408 177.300 -0.184 0.000 1.150 297 P CA 2.727 65.697 63.100 -0.216 0.000 0.837 297 P CB 0.037 31.663 31.700 -0.123 0.000 0.786 298 A N 0.029 122.706 122.820 -0.239 0.000 1.873 298 A HA -0.174 4.147 4.320 0.001 0.000 0.215 298 A C 2.383 179.837 177.584 -0.218 0.000 1.186 298 A CA 2.303 54.230 52.037 -0.184 0.000 0.616 298 A CB -1.608 17.301 19.000 -0.153 0.000 0.823 298 A HN 0.320 8.470 8.150 -0.000 0.000 0.442 299 S N 0.027 115.489 115.700 -0.397 0.000 2.382 299 S HA -0.143 4.327 4.470 0.001 0.000 0.228 299 S C 1.974 176.440 174.600 -0.223 0.000 1.027 299 S CA 1.315 59.252 58.200 -0.438 0.000 0.991 299 S CB -0.818 61.733 63.200 -1.081 0.000 0.823 299 S HN 0.494 8.804 8.310 -0.000 0.000 0.469 300 L N 1.690 122.823 121.223 -0.151 0.000 2.012 300 L HA -0.185 4.156 4.340 0.001 0.000 0.210 300 L C 2.061 178.978 176.870 0.079 0.000 1.073 300 L CA 2.260 57.148 54.840 0.080 0.000 0.748 300 L CB -0.630 41.535 42.059 0.176 0.000 0.891 300 L HN 0.194 8.424 8.230 -0.000 0.000 0.431 301 D N -0.250 120.143 120.400 -0.012 0.000 2.123 301 D HA -0.197 4.443 4.640 0.001 0.000 0.196 301 D C 2.175 178.462 176.300 -0.023 0.000 0.992 301 D CA 1.097 55.079 54.000 -0.029 0.000 0.833 301 D CB -0.130 40.641 40.800 -0.050 0.000 0.954 301 D HN 0.371 8.741 8.370 -0.000 0.000 0.455 302 E N 0.465 120.643 120.200 -0.037 0.000 2.153 302 E HA -0.098 4.252 4.350 0.001 0.000 0.194 302 E C 2.016 178.610 176.600 -0.011 0.000 0.988 302 E CA 0.729 57.108 56.400 -0.035 0.000 0.811 302 E CB -0.176 29.493 29.700 -0.052 0.000 0.746 302 E HN 0.238 8.598 8.360 -0.000 0.000 0.466 303 A N 1.038 123.881 122.820 0.037 0.000 1.897 303 A HA -0.086 4.234 4.320 0.001 0.000 0.215 303 A C 2.373 180.093 177.584 0.226 0.000 1.181 303 A CA 0.731 52.826 52.037 0.096 0.000 0.620 303 A CB -0.679 18.387 19.000 0.110 0.000 0.821 303 A HN 0.184 8.334 8.150 -0.000 0.000 0.443 304 L N -0.535 120.832 121.223 0.239 0.000 2.089 304 L HA -0.298 4.042 4.340 0.001 0.000 0.213 304 L C 2.662 179.523 176.870 -0.015 0.000 1.079 304 L CA 2.053 56.900 54.840 0.012 0.000 0.758 304 L CB -0.445 41.524 42.059 -0.151 0.000 0.891 304 L HN 0.429 8.659 8.230 -0.000 0.000 0.433 305 K N 0.098 120.486 120.400 -0.019 0.000 2.001 305 K HA -0.116 4.204 4.320 0.001 0.000 0.208 305 K C 1.320 177.883 176.600 -0.061 0.000 1.048 305 K CA 1.187 57.451 56.287 -0.039 0.000 0.932 305 K CB -0.390 32.086 32.500 -0.041 0.000 0.715 305 K HN 0.188 8.438 8.250 -0.000 0.000 0.437 306 L N 0.000 121.164 121.223 -0.099 0.000 2.949 306 L HA 0.000 4.340 4.340 0.001 0.000 0.249 306 L CA 0.000 54.702 54.840 -0.230 0.000 0.813 306 L CB 0.000 41.894 42.059 -0.276 0.000 0.961 306 L HN 0.000 8.230 8.230 -0.000 0.000 0.502