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 2f35_1_A DATA FIRST_RESID 4 DATA SEQUENCE RTLIVTTILE EPYVMYRKSD KPLYGNDRFE GYCLDLLKEL SNILGFLYDV DATA SEQUENCE KLVPDGKYGA QNDKGEWNGM VKELIDHRAD LAVAPLTITY VREKVIDFSK DATA SEQUENCE PFMTLGISIL YRKGTPIDSA DDLAKQTKIE YGAVRDGSTM TFFKKSKIST DATA SEQUENCE YEKMWAFMSS RQQSALVKNS DEGIQRVLTT DYALLMESTS IEYVTQRNCN DATA SEQUENCE LTQIGGLIDS KGYGVGTPIG SPYRDKITIA ILQLQEEGKL HMMKEKWWRG DATA SEQUENCE N 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 4 R HA 0.000 4.340 4.340 0.000 0.000 0.208 4 R C 0.000 176.333 176.300 0.055 0.000 0.893 4 R CA 0.000 56.132 56.100 0.053 0.000 0.921 4 R CB 0.000 30.337 30.300 0.063 0.000 0.687 5 T N 5.745 120.321 114.554 0.037 0.000 2.737 5 T HA 0.302 4.611 4.350 -0.069 0.000 0.296 5 T C 0.523 175.225 174.700 0.004 0.000 0.922 5 T CA -0.243 61.884 62.100 0.045 0.000 1.079 5 T CB 0.293 69.180 68.868 0.030 0.000 0.892 5 T HN 0.302 8.542 8.240 0.000 0.000 0.514 6 L N 4.263 125.471 121.223 -0.024 0.000 2.416 6 L HA 0.317 4.616 4.340 -0.069 0.000 0.272 6 L C 0.309 177.140 176.870 -0.066 0.000 1.161 6 L CA -0.760 53.987 54.840 -0.155 0.000 0.845 6 L CB 0.322 42.109 42.059 -0.453 0.000 1.119 6 L HN 0.376 8.606 8.230 0.000 0.000 0.464 7 I N 3.829 124.343 120.570 -0.094 0.000 2.325 7 I HA 0.207 4.336 4.170 -0.069 0.000 0.291 7 I C 0.100 176.163 176.117 -0.090 0.000 1.019 7 I CA -0.288 60.980 61.300 -0.054 0.000 1.302 7 I CB 1.430 39.401 38.000 -0.048 0.000 1.401 7 I HN 0.186 8.396 8.210 0.000 0.000 0.485 8 V N 5.668 125.550 119.914 -0.053 0.000 2.357 8 V HA 0.257 4.336 4.120 -0.069 0.000 0.284 8 V C 0.508 176.537 176.094 -0.107 0.000 1.018 8 V CA -0.582 61.659 62.300 -0.099 0.000 0.841 8 V CB 1.630 33.401 31.823 -0.086 0.000 0.991 8 V HN 0.826 9.016 8.190 0.000 0.000 0.437 9 T N 3.843 118.323 114.554 -0.124 0.000 2.889 9 T HA 0.567 4.875 4.350 -0.069 0.000 0.291 9 T C -0.103 174.498 174.700 -0.165 0.000 0.995 9 T CA 0.281 62.301 62.100 -0.132 0.000 1.092 9 T CB 1.184 69.984 68.868 -0.114 0.000 0.954 9 T HN 0.931 9.171 8.240 0.000 0.000 0.506 10 T N 3.282 117.712 114.554 -0.207 0.000 2.671 10 T HA 0.678 4.987 4.350 -0.069 0.000 0.300 10 T C -1.839 172.693 174.700 -0.281 0.000 1.238 10 T CA -0.668 61.286 62.100 -0.243 0.000 1.020 10 T CB 1.069 69.772 68.868 -0.275 0.000 1.503 10 T HN 0.684 8.924 8.240 0.000 0.000 0.497 11 I N 1.386 121.774 120.570 -0.304 0.000 2.752 11 I HA 0.508 4.637 4.170 -0.069 0.000 0.295 11 I C -1.167 174.806 176.117 -0.240 0.000 1.219 11 I CA -1.227 59.883 61.300 -0.316 0.000 1.030 11 I CB 1.750 39.431 38.000 -0.532 0.000 1.259 11 I HN 0.619 8.829 8.210 0.000 0.000 0.423 12 L N 5.798 126.917 121.223 -0.172 0.000 2.477 12 L HA 0.239 4.538 4.340 -0.069 0.000 0.272 12 L C -0.507 176.337 176.870 -0.043 0.000 1.157 12 L CA 0.643 55.425 54.840 -0.097 0.000 0.889 12 L CB 0.077 42.123 42.059 -0.021 0.000 1.158 12 L HN 0.492 8.722 8.230 0.000 0.000 0.473 13 E N 2.829 123.024 120.200 -0.009 0.000 2.415 13 E HA 0.116 4.425 4.350 -0.069 0.000 0.302 13 E C -1.000 175.633 176.600 0.055 0.000 0.907 13 E CA -0.474 55.965 56.400 0.064 0.000 0.798 13 E CB 1.129 30.908 29.700 0.131 0.000 1.315 13 E HN 0.493 8.853 8.360 0.000 0.000 0.396 14 E N 5.255 125.421 120.200 -0.056 0.000 2.360 14 E HA 0.185 4.494 4.350 -0.069 0.000 0.269 14 E C -1.651 174.615 176.600 -0.558 0.000 1.022 14 E CA -1.542 54.711 56.400 -0.245 0.000 0.887 14 E CB 0.797 30.371 29.700 -0.209 0.000 0.990 14 E HN 0.300 8.660 8.360 0.000 0.000 0.426 15 P HA 0.066 4.486 4.420 0.000 0.000 0.266 15 P C -0.285 176.593 177.300 -0.704 0.000 1.561 15 P CA 0.059 62.760 63.100 -0.665 0.000 1.089 15 P CB -0.024 31.323 31.700 -0.589 0.000 1.534 16 Y N -0.092 120.016 120.300 -0.319 0.000 2.220 16 Y HA 0.035 4.539 4.550 -0.077 0.000 0.291 16 Y C 1.328 177.067 175.900 -0.268 0.000 1.129 16 Y CA 0.821 58.804 58.100 -0.196 0.000 1.161 16 Y CB 0.038 38.458 38.460 -0.067 0.000 0.997 16 Y HN -0.246 8.034 8.280 0.000 0.000 0.522 17 V N 1.277 121.143 119.914 -0.079 0.000 2.655 17 V HA 0.381 4.460 4.120 -0.069 0.000 0.301 17 V C -0.644 175.380 176.094 -0.117 0.000 1.082 17 V CA -0.913 61.300 62.300 -0.146 0.000 0.899 17 V CB 1.753 33.468 31.823 -0.179 0.000 1.014 17 V HN 0.103 8.293 8.190 0.000 0.000 0.429 18 M N 3.412 122.965 119.600 -0.078 0.000 2.520 18 M HA 0.555 4.993 4.480 -0.069 0.000 0.283 18 M C -1.537 174.816 176.300 0.089 0.000 1.237 18 M CA -0.581 54.723 55.300 0.007 0.000 0.885 18 M CB 3.052 35.655 32.600 0.006 0.000 1.727 18 M HN 0.515 8.805 8.290 0.000 0.000 0.468 19 Y N 1.327 121.709 120.300 0.137 0.000 2.346 19 Y HA 0.272 4.781 4.550 -0.067 0.000 0.330 19 Y C 0.609 176.526 175.900 0.028 0.000 1.178 19 Y CA -0.009 58.123 58.100 0.052 0.000 1.331 19 Y CB 0.689 39.145 38.460 -0.006 0.000 1.253 19 Y HN 0.397 8.677 8.280 0.000 0.000 0.529 20 R N 2.391 122.983 120.500 0.153 0.000 2.590 20 R HA 0.032 4.331 4.340 -0.069 0.000 0.274 20 R C 0.046 176.396 176.300 0.085 0.000 1.061 20 R CA -0.451 55.715 56.100 0.110 0.000 1.081 20 R CB 0.430 30.771 30.300 0.068 0.000 0.984 20 R HN 0.530 8.800 8.270 0.000 0.000 0.448 21 K N 2.167 122.614 120.400 0.079 0.000 2.155 21 K HA 0.049 4.328 4.320 -0.069 0.000 0.240 21 K C -0.932 175.681 176.600 0.021 0.000 1.193 21 K CA 0.169 56.485 56.287 0.049 0.000 1.104 21 K CB 0.137 32.670 32.500 0.056 0.000 1.558 21 K HN 0.437 8.687 8.250 0.000 0.000 0.313 22 S N 1.848 117.547 115.700 -0.002 0.000 2.535 22 S HA 0.206 4.635 4.470 -0.069 0.000 0.272 22 S C -0.805 173.764 174.600 -0.053 0.000 1.149 22 S CA -0.785 57.402 58.200 -0.023 0.000 0.888 22 S CB 1.371 64.559 63.200 -0.021 0.000 1.110 22 S HN 0.531 8.841 8.310 0.000 0.000 0.463 23 D N 2.041 122.409 120.400 -0.054 0.000 2.363 23 D HA 0.185 4.784 4.640 -0.069 0.000 0.214 23 D C 0.052 176.302 176.300 -0.082 0.000 1.093 23 D CA 0.084 54.041 54.000 -0.071 0.000 0.837 23 D CB 0.458 41.226 40.800 -0.054 0.000 0.948 23 D HN 0.433 8.803 8.370 0.000 0.000 0.507 24 K N 1.751 122.104 120.400 -0.078 0.000 2.336 24 K HA 0.096 4.375 4.320 -0.069 0.000 0.262 24 K C -2.214 174.293 176.600 -0.155 0.000 0.992 24 K CA -0.998 55.239 56.287 -0.084 0.000 0.927 24 K CB 0.219 32.684 32.500 -0.059 0.000 0.956 24 K HN -0.094 8.156 8.250 0.000 0.000 0.495 25 P HA 0.093 4.513 4.420 0.000 0.000 0.263 25 P C -1.062 175.964 177.300 -0.457 0.000 1.601 25 P CA 0.336 63.245 63.100 -0.319 0.000 1.161 25 P CB 0.012 31.678 31.700 -0.057 0.000 1.730 26 L N 4.541 125.410 121.223 -0.589 0.000 2.322 26 L HA 0.517 4.815 4.340 -0.069 0.000 0.281 26 L C -0.156 176.373 176.870 -0.568 0.000 1.014 26 L CA -0.958 53.648 54.840 -0.391 0.000 0.815 26 L CB 1.198 43.129 42.059 -0.214 0.000 1.247 26 L HN 0.239 8.469 8.230 0.000 0.000 0.421 27 Y N 0.400 120.678 120.300 -0.036 0.000 2.605 27 Y HA 0.690 5.199 4.550 -0.069 0.000 0.343 27 Y C 0.987 176.871 175.900 -0.027 0.000 1.036 27 Y CA -0.011 58.068 58.100 -0.034 0.000 1.065 27 Y CB 1.821 40.268 38.460 -0.021 0.000 1.288 27 Y HN 0.760 9.040 8.280 0.000 0.000 0.481 28 G N 1.438 110.338 108.800 0.166 0.000 2.634 28 G HA2 -0.415 3.504 3.960 -0.069 0.000 0.309 28 G HA3 -0.415 3.504 3.960 -0.069 0.000 0.309 28 G C 0.810 175.793 174.900 0.139 0.000 1.265 28 G CA 0.844 46.021 45.100 0.129 0.000 0.998 28 G HN 0.718 9.008 8.290 0.000 0.000 0.551 29 N N 1.658 120.441 118.700 0.138 0.000 2.364 29 N HA -0.043 4.656 4.740 -0.069 0.000 0.183 29 N C 1.495 177.122 175.510 0.196 0.000 1.022 29 N CA 1.581 54.770 53.050 0.232 0.000 0.883 29 N CB -0.370 38.176 38.487 0.097 0.000 0.965 29 N HN 0.545 8.925 8.380 0.000 0.000 0.438 30 D N 0.489 120.935 120.400 0.076 0.000 2.348 30 D HA -0.039 4.560 4.640 -0.069 0.000 0.216 30 D C 1.570 177.840 176.300 -0.051 0.000 0.970 30 D CA 0.348 54.368 54.000 0.033 0.000 0.889 30 D CB -0.028 40.785 40.800 0.021 0.000 0.912 30 D HN 0.333 8.703 8.370 0.000 0.000 0.524 31 R N -0.647 119.737 120.500 -0.193 0.000 2.235 31 R HA 0.061 4.360 4.340 -0.069 0.000 0.213 31 R C 0.294 176.312 176.300 -0.470 0.000 1.059 31 R CA 0.421 56.283 56.100 -0.396 0.000 0.997 31 R CB 0.157 30.068 30.300 -0.649 0.000 0.884 31 R HN 0.126 8.396 8.270 0.000 0.000 0.462 32 F N 0.298 120.254 119.950 0.010 0.000 2.523 32 F HA 0.314 4.801 4.527 -0.068 0.000 0.329 32 F C 0.336 176.132 175.800 -0.006 0.000 1.061 32 F CA -1.106 56.861 58.000 -0.055 0.000 0.967 32 F CB 1.511 40.440 39.000 -0.118 0.000 1.218 32 F HN -0.082 8.218 8.300 0.000 0.000 0.480 33 E N 0.172 120.475 120.200 0.172 0.000 2.445 33 E HA 0.814 5.123 4.350 -0.069 0.000 0.279 33 E C -0.824 175.663 176.600 -0.188 0.000 1.018 33 E CA -1.324 55.137 56.400 0.102 0.000 0.816 33 E CB 2.428 32.271 29.700 0.238 0.000 1.356 33 E HN 0.967 9.327 8.360 0.000 0.000 0.462 34 G N -0.298 108.170 108.800 -0.553 0.000 2.347 34 G HA2 -0.151 3.768 3.960 -0.069 0.000 0.477 34 G HA3 -0.151 3.768 3.960 -0.069 0.000 0.477 34 G C -0.531 173.741 174.900 -1.047 0.000 1.349 34 G CA -0.314 43.968 45.100 -1.364 0.000 1.000 34 G HN 0.684 8.974 8.290 0.000 0.000 0.605 35 Y N -0.141 119.385 120.300 -1.291 0.000 2.114 35 Y HA -0.192 4.321 4.550 -0.063 0.000 0.282 35 Y C 3.040 178.858 175.900 -0.137 0.000 1.165 35 Y CA 3.214 61.053 58.100 -0.434 0.000 1.148 35 Y CB -0.303 38.127 38.460 -0.050 0.000 0.972 35 Y HN 0.591 8.871 8.280 0.000 0.000 0.504 36 C N -0.137 119.218 119.300 0.092 0.000 2.435 36 C HA -0.129 4.290 4.460 -0.069 0.000 0.279 36 C C 2.658 177.558 174.990 -0.150 0.000 1.321 36 C CA 0.500 59.504 59.018 -0.024 0.000 1.752 36 C CB -1.330 26.431 27.740 0.035 0.000 1.959 36 C HN 0.586 8.816 8.230 0.000 0.000 0.500 37 L N 0.843 121.989 121.223 -0.127 0.000 2.056 37 L HA -0.095 4.204 4.340 -0.069 0.000 0.207 37 L C 2.162 179.003 176.870 -0.048 0.000 1.078 37 L CA 1.997 56.800 54.840 -0.063 0.000 0.749 37 L CB -1.526 40.540 42.059 0.012 0.000 0.901 37 L HN 0.337 8.567 8.230 0.000 0.000 0.433 38 D N -0.217 120.154 120.400 -0.048 0.000 2.117 38 D HA -0.168 4.431 4.640 -0.069 0.000 0.198 38 D C 2.181 178.391 176.300 -0.151 0.000 0.982 38 D CA 0.751 54.736 54.000 -0.024 0.000 0.828 38 D CB -0.108 40.739 40.800 0.079 0.000 0.967 38 D HN 0.120 8.490 8.370 0.000 0.000 0.464 39 L N 0.587 121.631 121.223 -0.298 0.000 2.017 39 L HA -0.110 4.189 4.340 -0.069 0.000 0.208 39 L C 2.056 178.781 176.870 -0.242 0.000 1.073 39 L CA 1.329 55.969 54.840 -0.334 0.000 0.745 39 L CB -0.755 41.003 42.059 -0.503 0.000 0.894 39 L HN 0.016 8.246 8.230 0.000 0.000 0.432 40 L N -0.240 120.834 121.223 -0.248 0.000 2.042 40 L HA -0.197 4.102 4.340 -0.069 0.000 0.210 40 L C 2.514 179.184 176.870 -0.334 0.000 1.076 40 L CA 1.833 56.489 54.840 -0.307 0.000 0.749 40 L CB -1.067 40.764 42.059 -0.380 0.000 0.893 40 L HN 0.264 8.494 8.230 0.000 0.000 0.432 41 K N 0.027 120.324 120.400 -0.171 0.000 2.032 41 K HA -0.177 4.102 4.320 -0.069 0.000 0.209 41 K C 2.017 178.551 176.600 -0.111 0.000 1.048 41 K CA 1.635 57.891 56.287 -0.053 0.000 0.927 41 K CB -0.280 32.243 32.500 0.039 0.000 0.712 41 K HN 0.447 8.697 8.250 0.000 0.000 0.441 42 E N 0.687 120.820 120.200 -0.112 0.000 2.077 42 E HA -0.150 4.159 4.350 -0.069 0.000 0.193 42 E C 2.253 178.775 176.600 -0.129 0.000 0.989 42 E CA 0.836 57.177 56.400 -0.099 0.000 0.800 42 E CB -0.216 29.436 29.700 -0.080 0.000 0.746 42 E HN 0.309 8.669 8.360 0.000 0.000 0.452 43 L N 1.334 122.469 121.223 -0.147 0.000 2.042 43 L HA -0.204 4.095 4.340 -0.069 0.000 0.210 43 L C 2.770 179.419 176.870 -0.367 0.000 1.076 43 L CA 1.604 56.378 54.840 -0.109 0.000 0.749 43 L CB -0.728 41.348 42.059 0.027 0.000 0.893 43 L HN 0.162 8.392 8.230 0.000 0.000 0.432 44 S N -0.471 114.806 115.700 -0.704 0.000 2.382 44 S HA -0.216 4.213 4.470 -0.069 0.000 0.228 44 S C 1.567 175.819 174.600 -0.580 0.000 1.027 44 S CA 1.762 59.209 58.200 -1.254 0.000 0.991 44 S CB -0.764 62.020 63.200 -0.694 0.000 0.823 44 S HN 0.512 8.822 8.310 0.000 0.000 0.469 45 N N 1.060 119.586 118.700 -0.290 0.000 2.300 45 N HA 0.196 4.895 4.740 -0.069 0.000 0.179 45 N C 1.693 177.139 175.510 -0.107 0.000 1.016 45 N CA 1.236 54.197 53.050 -0.149 0.000 0.876 45 N CB -0.235 38.202 38.487 -0.084 0.000 0.979 45 N HN 0.409 8.789 8.380 0.000 0.000 0.432 46 I N 0.144 120.654 120.570 -0.100 0.000 2.277 46 I HA -0.162 3.966 4.170 -0.069 0.000 0.243 46 I C 1.384 177.496 176.117 -0.008 0.000 1.094 46 I CA 0.871 62.149 61.300 -0.036 0.000 1.393 46 I CB 0.056 38.050 38.000 -0.009 0.000 1.078 46 I HN 0.074 8.284 8.210 0.000 0.000 0.417 47 L N 0.425 121.644 121.223 -0.007 0.000 2.270 47 L HA 0.182 4.481 4.340 -0.069 0.000 0.210 47 L C 1.270 178.200 176.870 0.099 0.000 1.104 47 L CA 0.931 55.841 54.840 0.116 0.000 0.804 47 L CB -0.723 41.553 42.059 0.362 0.000 0.937 47 L HN 0.385 8.615 8.230 0.000 0.000 0.450 48 G N 0.074 108.847 108.800 -0.045 0.000 2.401 48 G HA2 -0.254 3.665 3.960 -0.069 0.000 0.283 48 G HA3 -0.254 3.665 3.960 -0.069 0.000 0.283 48 G C -0.136 174.821 174.900 0.095 0.000 1.117 48 G CA 0.178 45.271 45.100 -0.012 0.000 1.051 48 G HN 0.253 8.543 8.290 0.000 0.000 0.510 49 F N -1.384 118.624 119.950 0.096 0.000 2.577 49 F HA 0.883 5.367 4.527 -0.070 0.000 0.318 49 F C -0.165 175.715 175.800 0.134 0.000 1.065 49 F CA -2.483 55.577 58.000 0.100 0.000 0.929 49 F CB 1.213 40.251 39.000 0.062 0.000 1.237 49 F HN 0.091 8.391 8.300 0.000 0.000 0.468 50 L N 2.639 124.093 121.223 0.386 0.000 2.379 50 L HA 0.567 4.865 4.340 -0.069 0.000 0.269 50 L C -0.864 176.262 176.870 0.426 0.000 1.084 50 L CA -1.063 53.929 54.840 0.254 0.000 0.802 50 L CB 1.435 43.556 42.059 0.104 0.000 1.175 50 L HN 0.897 9.127 8.230 0.000 0.000 0.448 51 Y N -0.970 119.435 120.300 0.176 0.000 2.609 51 Y HA 0.655 5.165 4.550 -0.066 0.000 0.336 51 Y C -1.580 174.362 175.900 0.070 0.000 1.129 51 Y CA -1.464 56.715 58.100 0.131 0.000 1.040 51 Y CB 1.580 40.182 38.460 0.237 0.000 1.310 51 Y HN 0.398 8.678 8.280 0.000 0.000 0.460 52 D N 1.477 121.973 120.400 0.160 0.000 2.620 52 D HA 0.406 5.005 4.640 -0.069 0.000 0.252 52 D C -1.593 174.786 176.300 0.133 0.000 1.207 52 D CA -0.331 53.719 54.000 0.082 0.000 0.884 52 D CB 2.212 43.037 40.800 0.041 0.000 1.262 52 D HN 0.594 8.964 8.370 0.000 0.000 0.552 53 V N 4.713 124.721 119.914 0.157 0.000 2.488 53 V HA 0.313 4.392 4.120 -0.069 0.000 0.277 53 V C 0.307 176.404 176.094 0.005 0.000 1.046 53 V CA -0.052 62.280 62.300 0.054 0.000 0.986 53 V CB 0.975 32.794 31.823 -0.008 0.000 0.989 53 V HN 0.404 8.594 8.190 0.000 0.000 0.475 54 K N 5.633 125.992 120.400 -0.069 0.000 2.579 54 K HA 0.498 4.777 4.320 -0.069 0.000 0.250 54 K C -0.945 175.588 176.600 -0.113 0.000 0.952 54 K CA -0.619 55.641 56.287 -0.044 0.000 0.857 54 K CB 1.857 34.350 32.500 -0.010 0.000 1.123 54 K HN 0.517 8.767 8.250 0.000 0.000 0.433 55 L N 2.499 123.652 121.223 -0.116 0.000 2.525 55 L HA 0.032 4.331 4.340 -0.069 0.000 0.278 55 L C 0.712 177.529 176.870 -0.089 0.000 1.218 55 L CA -0.211 54.542 54.840 -0.145 0.000 0.878 55 L CB 0.432 42.446 42.059 -0.075 0.000 1.127 55 L HN 0.365 8.595 8.230 0.000 0.000 0.492 56 V N 6.793 126.635 119.914 -0.120 0.000 2.540 56 V HA 0.011 4.090 4.120 -0.069 0.000 0.297 56 V C -1.153 174.910 176.094 -0.052 0.000 1.024 56 V CA -0.867 61.379 62.300 -0.090 0.000 1.105 56 V CB 1.186 32.936 31.823 -0.122 0.000 0.938 56 V HN 0.664 8.854 8.190 0.000 0.000 0.482 57 P HA -0.135 4.285 4.420 0.000 0.000 0.216 57 P C 0.885 178.182 177.300 -0.004 0.000 1.150 57 P CA 1.583 64.680 63.100 -0.005 0.000 0.837 57 P CB 0.057 31.758 31.700 0.002 0.000 0.786 58 D N -1.858 118.536 120.400 -0.010 0.000 2.340 58 D HA 0.083 4.682 4.640 -0.069 0.000 0.220 58 D C 1.287 177.580 176.300 -0.013 0.000 1.039 58 D CA 0.514 54.512 54.000 -0.003 0.000 0.866 58 D CB -1.173 39.632 40.800 0.008 0.000 0.913 58 D HN 0.183 8.553 8.370 0.000 0.000 0.523 59 G N 0.317 109.094 108.800 -0.039 0.000 2.225 59 G HA2 -0.336 3.583 3.960 -0.069 0.000 0.267 59 G HA3 -0.336 3.583 3.960 -0.069 0.000 0.267 59 G C -0.021 174.827 174.900 -0.086 0.000 1.024 59 G CA 0.532 45.592 45.100 -0.066 0.000 0.784 59 G HN 0.505 8.795 8.290 0.000 0.000 0.507 60 K N -1.641 118.712 120.400 -0.079 0.000 2.267 60 K HA 0.588 4.867 4.320 -0.069 0.000 0.246 60 K C 0.658 177.203 176.600 -0.091 0.000 0.954 60 K CA -1.107 55.161 56.287 -0.032 0.000 0.824 60 K CB 1.230 33.758 32.500 0.047 0.000 1.167 60 K HN 0.004 8.254 8.250 0.000 0.000 0.431 61 Y N 0.743 121.060 120.300 0.029 0.000 2.133 61 Y HA 0.005 4.516 4.550 -0.065 0.000 0.287 61 Y C 1.177 177.128 175.900 0.085 0.000 1.134 61 Y CA 1.359 59.479 58.100 0.034 0.000 1.133 61 Y CB 0.382 38.860 38.460 0.030 0.000 0.987 61 Y HN 0.798 9.078 8.280 0.000 0.000 0.502 62 G N -0.778 108.198 108.800 0.294 0.000 2.414 62 G HA2 0.468 4.387 3.960 -0.069 0.000 0.213 62 G HA3 0.468 4.387 3.960 -0.069 0.000 0.213 62 G C -1.580 173.581 174.900 0.436 0.000 1.444 62 G CA -0.541 44.766 45.100 0.345 0.000 1.076 62 G HN 0.463 8.753 8.290 0.000 0.000 0.638 63 A N 2.400 125.391 122.820 0.285 0.000 2.566 63 A HA 0.993 5.272 4.320 -0.069 0.000 0.292 63 A C -0.177 177.120 177.584 -0.478 0.000 1.112 63 A CA -0.304 51.704 52.037 -0.049 0.000 0.707 63 A CB 1.671 20.652 19.000 -0.030 0.000 1.302 63 A HN 1.475 9.625 8.150 0.000 0.000 0.409 64 Q N 0.222 119.478 119.800 -0.907 0.000 2.333 64 Q HA 0.669 4.968 4.340 -0.069 0.000 0.266 64 Q C -0.643 175.088 176.000 -0.448 0.000 1.053 64 Q CA -1.012 54.218 55.803 -0.955 0.000 0.890 64 Q CB 1.138 28.957 28.738 -1.532 0.000 1.337 64 Q HN 0.790 9.060 8.270 0.000 0.000 0.474 65 N N -0.539 117.962 118.700 -0.332 0.000 2.592 65 N HA 0.154 4.853 4.740 -0.069 0.000 0.292 65 N C -0.279 175.140 175.510 -0.153 0.000 1.260 65 N CA -0.643 52.297 53.050 -0.184 0.000 0.910 65 N CB 0.481 38.898 38.487 -0.116 0.000 1.257 65 N HN 0.526 8.906 8.380 0.000 0.000 0.569 66 D N -0.205 120.137 120.400 -0.096 0.000 2.271 66 D HA -0.130 4.469 4.640 -0.069 0.000 0.207 66 D C 0.538 176.804 176.300 -0.058 0.000 0.983 66 D CA 1.350 55.309 54.000 -0.069 0.000 0.878 66 D CB 0.040 40.813 40.800 -0.046 0.000 0.920 66 D HN 0.600 8.970 8.370 0.000 0.000 0.479 67 K N -0.542 119.823 120.400 -0.059 0.000 2.444 67 K HA 0.197 4.476 4.320 -0.069 0.000 0.193 67 K C 1.027 177.605 176.600 -0.036 0.000 1.024 67 K CA 0.382 56.647 56.287 -0.037 0.000 1.077 67 K CB 0.688 33.173 32.500 -0.025 0.000 0.833 67 K HN 0.090 8.340 8.250 0.000 0.000 0.517 68 G N 2.190 110.942 108.800 -0.079 0.000 2.160 68 G HA2 -0.271 3.648 3.960 -0.069 0.000 0.244 68 G HA3 -0.271 3.648 3.960 -0.069 0.000 0.244 68 G C -0.558 174.311 174.900 -0.052 0.000 1.022 68 G CA -0.091 44.964 45.100 -0.075 0.000 0.741 68 G HN 0.380 8.670 8.290 0.000 0.000 0.508 69 E N -0.887 119.253 120.200 -0.100 0.000 2.227 69 E HA 0.491 4.800 4.350 -0.069 0.000 0.282 69 E C -0.058 176.477 176.600 -0.110 0.000 1.015 69 E CA -0.773 55.615 56.400 -0.020 0.000 0.823 69 E CB 0.842 30.537 29.700 -0.008 0.000 1.081 69 E HN 0.368 8.728 8.360 0.000 0.000 0.396 70 W N 2.402 123.697 121.300 -0.007 0.000 2.415 70 W HA 0.241 4.859 4.660 -0.071 0.000 0.355 70 W C 0.576 177.093 176.519 -0.003 0.000 1.161 70 W CA -0.212 57.132 57.345 -0.002 0.000 1.315 70 W CB 0.740 30.196 29.460 -0.007 0.000 1.261 70 W HN 0.546 8.726 8.180 0.000 0.000 0.636 71 N N -0.173 118.691 118.700 0.273 0.000 3.167 71 N HA 0.744 5.443 4.740 -0.069 0.000 0.323 71 N C 0.337 175.945 175.510 0.163 0.000 1.478 71 N CA -0.044 53.099 53.050 0.156 0.000 0.753 71 N CB 0.245 38.783 38.487 0.085 0.000 1.721 71 N HN 0.766 9.146 8.380 0.000 0.000 0.618 72 G N -0.304 108.548 108.800 0.086 0.000 2.601 72 G HA2 -0.318 3.601 3.960 -0.069 0.000 0.261 72 G HA3 -0.318 3.601 3.960 -0.069 0.000 0.261 72 G C 0.735 175.645 174.900 0.016 0.000 1.289 72 G CA 0.673 45.801 45.100 0.046 0.000 0.920 72 G HN 0.691 8.981 8.290 0.000 0.000 0.571 73 M N -0.574 119.014 119.600 -0.021 0.000 2.159 73 M HA -0.109 4.330 4.480 -0.069 0.000 0.263 73 M C 2.795 179.061 176.300 -0.057 0.000 1.063 73 M CA 1.983 57.250 55.300 -0.056 0.000 1.110 73 M CB -0.563 31.988 32.600 -0.082 0.000 1.374 73 M HN 0.381 8.671 8.290 0.000 0.000 0.411 74 V N 0.593 120.493 119.914 -0.023 0.000 2.287 74 V HA -0.295 3.783 4.120 -0.069 0.000 0.248 74 V C 2.352 178.369 176.094 -0.128 0.000 1.053 74 V CA 2.129 64.350 62.300 -0.131 0.000 1.027 74 V CB -0.755 30.970 31.823 -0.164 0.000 0.646 74 V HN 0.412 8.602 8.190 0.000 0.000 0.447 75 K N 0.224 120.630 120.400 0.011 0.000 2.103 75 K HA -0.190 4.088 4.320 -0.069 0.000 0.207 75 K C 2.069 178.654 176.600 -0.025 0.000 1.048 75 K CA 1.474 57.779 56.287 0.029 0.000 0.930 75 K CB -0.278 32.280 32.500 0.096 0.000 0.716 75 K HN 0.417 8.667 8.250 0.000 0.000 0.444 76 E N 0.564 120.744 120.200 -0.033 0.000 2.085 76 E HA -0.188 4.121 4.350 -0.069 0.000 0.194 76 E C 2.094 178.666 176.600 -0.047 0.000 0.994 76 E CA 1.311 57.687 56.400 -0.039 0.000 0.801 76 E CB -0.291 29.379 29.700 -0.049 0.000 0.743 76 E HN 0.372 8.732 8.360 0.000 0.000 0.453 77 L N 0.384 121.558 121.223 -0.081 0.000 2.017 77 L HA -0.146 4.153 4.340 -0.069 0.000 0.208 77 L C 2.623 179.474 176.870 -0.032 0.000 1.073 77 L CA 0.867 55.660 54.840 -0.079 0.000 0.745 77 L CB -0.427 41.534 42.059 -0.163 0.000 0.894 77 L HN 0.078 8.308 8.230 0.000 0.000 0.432 78 I N 0.033 120.537 120.570 -0.110 0.000 2.208 78 I HA -0.303 3.826 4.170 -0.069 0.000 0.245 78 I C 1.481 177.486 176.117 -0.186 0.000 1.097 78 I CA 1.278 62.493 61.300 -0.141 0.000 1.363 78 I CB -0.324 37.574 38.000 -0.170 0.000 1.051 78 I HN 0.269 8.479 8.210 0.000 0.000 0.413 79 D N -0.527 119.799 120.400 -0.124 0.000 2.349 79 D HA -0.052 4.547 4.640 -0.069 0.000 0.224 79 D C 0.285 176.535 176.300 -0.083 0.000 1.029 79 D CA 0.413 54.327 54.000 -0.142 0.000 0.879 79 D CB -0.200 40.564 40.800 -0.061 0.000 0.906 79 D HN 0.278 8.648 8.370 0.000 0.000 0.528 80 H N -0.901 118.135 119.070 -0.057 0.000 2.820 80 H HA -0.173 4.342 4.556 -0.069 0.000 0.295 80 H C 1.010 176.309 175.328 -0.049 0.000 1.187 80 H CA 0.517 56.532 56.048 -0.055 0.000 1.144 80 H CB -1.959 27.778 29.762 -0.041 0.000 1.354 80 H HN 0.341 8.621 8.280 0.000 0.000 0.395 81 R N -0.509 120.024 120.500 0.055 0.000 2.317 81 R HA 0.506 4.805 4.340 -0.069 0.000 0.208 81 R C 0.683 176.974 176.300 -0.014 0.000 0.914 81 R CA 0.782 56.891 56.100 0.015 0.000 1.060 81 R CB 0.910 31.210 30.300 0.001 0.000 1.015 81 R HN 0.288 8.558 8.270 0.000 0.000 0.498 82 A N -0.018 122.785 122.820 -0.028 0.000 2.486 82 A HA 0.301 4.580 4.320 -0.069 0.000 0.300 82 A C -0.581 176.944 177.584 -0.098 0.000 1.048 82 A CA -0.808 51.187 52.037 -0.070 0.000 0.696 82 A CB 1.620 20.569 19.000 -0.085 0.000 1.278 82 A HN -0.039 8.111 8.150 0.000 0.000 0.405 83 D N 0.393 120.703 120.400 -0.150 0.000 2.240 83 D HA 0.174 4.773 4.640 -0.069 0.000 0.206 83 D C 0.134 176.292 176.300 -0.236 0.000 0.963 83 D CA 1.271 55.147 54.000 -0.207 0.000 0.863 83 D CB 0.327 40.948 40.800 -0.299 0.000 0.973 83 D HN 0.469 8.839 8.370 0.000 0.000 0.501 84 L N -0.141 120.938 121.223 -0.240 0.000 2.393 84 L HA 0.600 4.899 4.340 -0.069 0.000 0.260 84 L C -1.001 175.766 176.870 -0.173 0.000 1.002 84 L CA -1.094 53.612 54.840 -0.224 0.000 0.818 84 L CB 2.474 44.357 42.059 -0.294 0.000 1.369 84 L HN -0.262 7.968 8.230 0.000 0.000 0.412 85 A N 1.906 124.640 122.820 -0.144 0.000 2.291 85 A HA 0.747 5.025 4.320 -0.069 0.000 0.311 85 A C -0.887 176.663 177.584 -0.058 0.000 1.224 85 A CA -0.453 51.517 52.037 -0.110 0.000 0.821 85 A CB 1.143 20.080 19.000 -0.106 0.000 1.172 85 A HN 0.361 8.511 8.150 0.000 0.000 0.494 86 V N 2.255 122.121 119.914 -0.080 0.000 2.326 86 V HA 0.767 4.846 4.120 -0.069 0.000 0.281 86 V C 0.289 176.350 176.094 -0.054 0.000 1.015 86 V CA 0.468 62.735 62.300 -0.055 0.000 0.823 86 V CB 0.417 32.157 31.823 -0.139 0.000 1.009 86 V HN 1.422 9.612 8.190 0.000 0.000 0.436 87 A N 6.509 129.349 122.820 0.034 0.000 2.540 87 A HA 0.856 5.135 4.320 -0.069 0.000 0.291 87 A C -3.062 174.472 177.584 -0.084 0.000 1.083 87 A CA -1.060 50.953 52.037 -0.040 0.000 0.650 87 A CB 1.634 20.587 19.000 -0.078 0.000 1.292 87 A HN 0.422 8.572 8.150 0.000 0.000 0.435 88 P HA 0.297 4.717 4.420 0.000 0.000 0.241 88 P C -0.891 175.844 177.300 -0.942 0.000 1.760 88 P CA 0.253 62.511 63.100 -1.404 0.000 1.081 88 P CB -0.370 30.220 31.700 -1.851 0.000 1.975 89 L N 2.568 123.579 121.223 -0.353 0.000 2.265 89 L HA 0.356 4.655 4.340 -0.069 0.000 0.289 89 L C 0.036 176.987 176.870 0.134 0.000 1.033 89 L CA -0.022 54.846 54.840 0.046 0.000 0.814 89 L CB 1.022 43.230 42.059 0.249 0.000 1.203 89 L HN -0.032 8.198 8.230 0.000 0.000 0.423 90 T N 6.275 120.894 114.554 0.108 0.000 2.870 90 T HA 0.326 4.635 4.350 -0.069 0.000 0.300 90 T C 0.538 175.097 174.700 -0.235 0.000 0.989 90 T CA 0.089 62.209 62.100 0.033 0.000 1.139 90 T CB 0.061 68.934 68.868 0.008 0.000 0.920 90 T HN 0.403 8.643 8.240 0.000 0.000 0.537 91 I N 4.535 124.787 120.570 -0.530 0.000 2.436 91 I HA 0.202 4.331 4.170 -0.069 0.000 0.289 91 I C 1.088 176.921 176.117 -0.473 0.000 1.083 91 I CA -0.064 60.592 61.300 -1.074 0.000 1.372 91 I CB 0.125 37.619 38.000 -0.844 0.000 1.408 91 I HN 0.707 8.917 8.210 0.000 0.000 0.516 92 T N 1.978 116.350 114.554 -0.303 0.000 2.906 92 T HA 0.246 4.555 4.350 -0.069 0.000 0.295 92 T C 0.641 175.394 174.700 0.088 0.000 1.075 92 T CA -0.684 61.399 62.100 -0.028 0.000 1.005 92 T CB 1.429 70.340 68.868 0.072 0.000 1.136 92 T HN 0.489 8.729 8.240 0.000 0.000 0.498 93 Y N 2.355 122.665 120.300 0.015 0.000 2.081 93 Y HA -0.158 4.349 4.550 -0.070 0.000 0.280 93 Y C 2.161 178.123 175.900 0.103 0.000 1.163 93 Y CA 2.162 60.290 58.100 0.047 0.000 1.135 93 Y CB -0.836 37.644 38.460 0.033 0.000 0.970 93 Y HN 0.472 8.752 8.280 0.000 0.000 0.498 94 V N 0.905 120.924 119.914 0.176 0.000 2.332 94 V HA -0.340 3.739 4.120 -0.069 0.000 0.248 94 V C 2.447 178.650 176.094 0.182 0.000 1.055 94 V CA 2.445 64.843 62.300 0.164 0.000 1.038 94 V CB -0.614 31.406 31.823 0.327 0.000 0.651 94 V HN 0.384 8.574 8.190 0.000 0.000 0.450 95 R N -0.338 120.284 120.500 0.204 0.000 2.092 95 R HA -0.099 4.200 4.340 -0.069 0.000 0.231 95 R C 2.215 178.536 176.300 0.034 0.000 1.119 95 R CA 1.070 57.217 56.100 0.078 0.000 0.970 95 R CB -0.272 30.203 30.300 0.292 0.000 0.864 95 R HN 0.527 8.797 8.270 0.000 0.000 0.440 96 E N 0.817 121.086 120.200 0.115 0.000 2.333 96 E HA -0.161 4.148 4.350 -0.069 0.000 0.198 96 E C 1.422 177.979 176.600 -0.071 0.000 1.007 96 E CA 0.790 57.228 56.400 0.065 0.000 0.845 96 E CB 0.124 29.865 29.700 0.068 0.000 0.766 96 E HN 0.291 8.651 8.360 0.000 0.000 0.507 97 K N 0.337 120.659 120.400 -0.130 0.000 2.288 97 K HA -0.052 4.227 4.320 -0.069 0.000 0.201 97 K C 2.084 178.617 176.600 -0.112 0.000 1.048 97 K CA 1.041 57.251 56.287 -0.129 0.000 0.956 97 K CB 0.180 32.625 32.500 -0.091 0.000 0.746 97 K HN 0.196 8.446 8.250 0.000 0.000 0.461 98 V N -2.124 117.675 119.914 -0.192 0.000 3.497 98 V HA 0.316 4.395 4.120 -0.069 0.000 0.272 98 V C 0.705 176.624 176.094 -0.292 0.000 1.474 98 V CA -0.490 61.648 62.300 -0.270 0.000 1.025 98 V CB -0.301 31.228 31.823 -0.489 0.000 0.820 98 V HN 0.165 8.355 8.190 0.000 0.000 0.437 99 I N -2.829 117.566 120.570 -0.291 0.000 3.191 99 I HA 0.798 4.927 4.170 -0.069 0.000 0.313 99 I C -1.483 174.488 176.117 -0.243 0.000 1.193 99 I CA -0.775 60.341 61.300 -0.308 0.000 0.968 99 I CB 2.179 39.898 38.000 -0.468 0.000 1.262 99 I HN -0.190 8.020 8.210 0.000 0.000 0.456 100 D N 1.278 121.532 120.400 -0.242 0.000 2.326 100 D HA 0.658 5.257 4.640 -0.069 0.000 0.251 100 D C -1.374 174.785 176.300 -0.234 0.000 1.023 100 D CA 0.147 54.077 54.000 -0.118 0.000 0.966 100 D CB 1.929 42.696 40.800 -0.054 0.000 1.156 100 D HN 0.389 8.759 8.370 0.000 0.000 0.494 101 F N -0.120 119.823 119.950 -0.011 0.000 2.591 101 F HA 0.225 4.716 4.527 -0.061 0.000 0.309 101 F C 0.707 176.525 175.800 0.031 0.000 1.098 101 F CA -0.911 57.096 58.000 0.012 0.000 0.937 101 F CB 1.656 40.662 39.000 0.010 0.000 1.250 101 F HN 0.166 8.466 8.300 0.000 0.000 0.447 102 S N 1.836 117.697 115.700 0.269 0.000 2.596 102 S HA 0.325 4.754 4.470 -0.069 0.000 0.260 102 S C -0.076 174.635 174.600 0.186 0.000 1.336 102 S CA -0.859 57.462 58.200 0.200 0.000 0.993 102 S CB 0.558 63.884 63.200 0.210 0.000 0.923 102 S HN 0.586 8.896 8.310 0.000 0.000 0.567 103 K N 1.285 121.763 120.400 0.130 0.000 2.336 103 K HA 0.233 4.512 4.320 -0.069 0.000 0.262 103 K C -2.403 174.249 176.600 0.087 0.000 0.992 103 K CA -1.362 54.974 56.287 0.081 0.000 0.927 103 K CB -0.299 32.240 32.500 0.064 0.000 0.956 103 K HN 0.499 8.749 8.250 0.000 0.000 0.495 104 P HA -0.016 4.404 4.420 0.000 0.000 0.271 104 P C -0.194 177.114 177.300 0.014 0.000 1.216 104 P CA 0.020 63.072 63.100 -0.080 0.000 0.776 104 P CB 0.183 31.779 31.700 -0.173 0.000 0.881 105 F N 0.542 120.569 119.950 0.128 0.000 2.754 105 F HA 0.480 4.970 4.527 -0.060 0.000 0.297 105 F C 0.578 176.469 175.800 0.152 0.000 1.122 105 F CA -0.236 57.861 58.000 0.161 0.000 1.400 105 F CB 0.063 39.200 39.000 0.228 0.000 1.117 105 F HN 0.109 8.409 8.300 0.000 0.000 0.587 106 M N 0.662 120.119 119.600 -0.239 0.000 2.365 106 M HA 0.470 4.909 4.480 -0.069 0.000 0.287 106 M C -1.717 174.370 176.300 -0.356 0.000 1.154 106 M CA -0.215 54.973 55.300 -0.186 0.000 0.941 106 M CB 2.257 34.805 32.600 -0.087 0.000 1.704 106 M HN -0.083 8.207 8.290 0.000 0.000 0.479 107 T N 5.585 119.971 114.554 -0.280 0.000 2.829 107 T HA 0.828 5.137 4.350 -0.069 0.000 0.280 107 T C -0.909 173.607 174.700 -0.306 0.000 0.999 107 T CA -0.644 61.279 62.100 -0.295 0.000 0.983 107 T CB 1.215 69.971 68.868 -0.188 0.000 0.968 107 T HN 0.657 8.897 8.240 0.000 0.000 0.446 108 L N 0.017 121.034 121.223 -0.345 0.000 2.510 108 L HA 1.090 5.389 4.340 -0.069 0.000 0.252 108 L C -0.450 176.271 176.870 -0.249 0.000 1.091 108 L CA -1.179 53.486 54.840 -0.292 0.000 0.888 108 L CB 1.772 43.612 42.059 -0.366 0.000 1.507 108 L HN 0.795 9.025 8.230 0.000 0.000 0.407 109 G N -0.021 108.657 108.800 -0.203 0.000 2.632 109 G HA2 0.547 4.466 3.960 -0.069 0.000 0.292 109 G HA3 0.547 4.466 3.960 -0.069 0.000 0.292 109 G C -1.317 173.468 174.900 -0.192 0.000 1.465 109 G CA -0.952 44.017 45.100 -0.218 0.000 0.824 109 G HN 0.694 8.984 8.290 0.000 0.000 0.509 110 I N 1.290 121.700 120.570 -0.267 0.000 2.710 110 I HA 0.326 4.454 4.170 -0.069 0.000 0.286 110 I C 0.925 176.957 176.117 -0.142 0.000 1.181 110 I CA 0.757 61.931 61.300 -0.209 0.000 1.430 110 I CB 1.209 38.995 38.000 -0.356 0.000 1.367 110 I HN 0.449 8.659 8.210 0.000 0.000 0.577 111 S N 5.872 121.543 115.700 -0.047 0.000 2.880 111 S HA 0.699 5.128 4.470 -0.069 0.000 0.308 111 S C -0.919 173.694 174.600 0.022 0.000 1.195 111 S CA -0.711 57.479 58.200 -0.016 0.000 0.866 111 S CB 1.195 64.388 63.200 -0.011 0.000 1.254 111 S HN 0.393 8.703 8.310 0.000 0.000 0.571 112 I N 2.292 122.876 120.570 0.023 0.000 2.433 112 I HA 0.490 4.619 4.170 -0.069 0.000 0.292 112 I C -1.206 174.949 176.117 0.063 0.000 1.001 112 I CA -0.775 60.540 61.300 0.025 0.000 1.119 112 I CB 1.795 39.782 38.000 -0.022 0.000 1.289 112 I HN 0.396 8.606 8.210 0.000 0.000 0.438 113 L N 8.178 129.455 121.223 0.090 0.000 2.287 113 L HA 0.580 4.879 4.340 -0.069 0.000 0.287 113 L C -1.361 175.635 176.870 0.209 0.000 1.022 113 L CA -0.036 54.883 54.840 0.132 0.000 0.814 113 L CB 0.821 42.959 42.059 0.131 0.000 1.217 113 L HN 0.535 8.765 8.230 0.000 0.000 0.420 114 Y N 3.289 123.608 120.300 0.032 0.000 2.725 114 Y HA 0.628 5.136 4.550 -0.071 0.000 0.333 114 Y C -0.603 175.319 175.900 0.038 0.000 1.242 114 Y CA -1.217 56.901 58.100 0.031 0.000 1.059 114 Y CB 1.127 39.587 38.460 0.000 0.000 1.306 114 Y HN 0.593 8.873 8.280 0.000 0.000 0.454 115 R N 2.208 122.293 120.500 -0.692 0.000 2.679 115 R HA 0.311 4.610 4.340 -0.069 0.000 0.269 115 R C -0.556 175.634 176.300 -0.183 0.000 1.076 115 R CA -0.321 55.520 56.100 -0.431 0.000 1.160 115 R CB 0.214 30.191 30.300 -0.538 0.000 1.054 115 R HN 0.516 8.786 8.270 0.000 0.000 0.507 116 K N -0.029 120.323 120.400 -0.080 0.000 2.117 116 K HA 0.353 4.632 4.320 -0.069 0.000 0.240 116 K C 0.759 177.360 176.600 0.001 0.000 1.031 116 K CA 0.199 56.484 56.287 -0.005 0.000 0.909 116 K CB 0.656 33.155 32.500 -0.000 0.000 1.097 116 K HN 0.718 8.968 8.250 0.000 0.000 0.492 117 G N 0.656 109.473 108.800 0.029 0.000 2.155 117 G HA2 -0.274 3.645 3.960 -0.069 0.000 0.257 117 G HA3 -0.274 3.645 3.960 -0.069 0.000 0.257 117 G C 0.156 175.088 174.900 0.054 0.000 0.983 117 G CA 0.907 46.026 45.100 0.031 0.000 0.676 117 G HN 0.711 9.001 8.290 0.000 0.000 0.528 118 T N -2.793 111.820 114.554 0.098 0.000 2.925 118 T HA 0.693 5.002 4.350 -0.069 0.000 0.285 118 T C -0.753 174.006 174.700 0.099 0.000 1.021 118 T CA -1.005 61.177 62.100 0.137 0.000 1.042 118 T CB 2.340 71.395 68.868 0.312 0.000 1.037 118 T HN -0.101 8.139 8.240 0.000 0.000 0.481 119 P HA 0.099 4.519 4.420 0.000 0.000 0.222 119 P C 0.375 177.679 177.300 0.007 0.000 1.147 119 P CA 0.255 63.373 63.100 0.029 0.000 0.790 119 P CB -0.105 31.606 31.700 0.018 0.000 0.780 120 I N 0.973 121.540 120.570 -0.005 0.000 2.906 120 I HA -0.136 3.993 4.170 -0.069 0.000 0.301 120 I C 1.236 177.325 176.117 -0.047 0.000 1.221 120 I CA 1.218 62.470 61.300 -0.081 0.000 1.435 120 I CB -0.078 37.786 38.000 -0.227 0.000 1.345 120 I HN 0.014 8.224 8.210 0.000 0.000 0.558 121 D N 2.934 123.297 120.400 -0.062 0.000 2.415 121 D HA 0.060 4.659 4.640 -0.069 0.000 0.269 121 D C 0.431 176.705 176.300 -0.044 0.000 1.099 121 D CA 0.512 54.490 54.000 -0.036 0.000 0.865 121 D CB 0.828 41.614 40.800 -0.024 0.000 1.359 121 D HN 0.656 9.026 8.370 0.000 0.000 0.506 122 S N -1.391 114.267 115.700 -0.071 0.000 2.790 122 S HA 0.673 5.102 4.470 -0.069 0.000 0.292 122 S C 0.990 175.535 174.600 -0.093 0.000 1.197 122 S CA -0.124 58.041 58.200 -0.058 0.000 0.851 122 S CB 0.797 63.976 63.200 -0.034 0.000 1.217 122 S HN -0.044 8.266 8.310 0.000 0.000 0.526 123 A N 0.489 123.286 122.820 -0.038 0.000 2.015 123 A HA 0.026 4.305 4.320 -0.069 0.000 0.219 123 A C 1.451 178.971 177.584 -0.105 0.000 1.163 123 A CA 1.861 53.877 52.037 -0.034 0.000 0.646 123 A CB -1.282 17.840 19.000 0.204 0.000 0.806 123 A HN 0.764 8.914 8.150 0.000 0.000 0.448 124 D N 0.610 120.960 120.400 -0.083 0.000 2.117 124 D HA -0.113 4.486 4.640 -0.069 0.000 0.197 124 D C 1.080 177.296 176.300 -0.140 0.000 0.987 124 D CA 1.374 55.312 54.000 -0.103 0.000 0.829 124 D CB -0.394 40.359 40.800 -0.078 0.000 0.961 124 D HN 0.354 8.724 8.370 0.000 0.000 0.460 125 D N -0.372 119.940 120.400 -0.146 0.000 2.309 125 D HA -0.071 4.528 4.640 -0.069 0.000 0.212 125 D C 1.956 178.109 176.300 -0.244 0.000 0.968 125 D CA 0.399 54.302 54.000 -0.162 0.000 0.882 125 D CB 0.023 40.738 40.800 -0.140 0.000 0.918 125 D HN 0.289 8.659 8.370 0.000 0.000 0.503 126 L N -0.232 120.774 121.223 -0.362 0.000 2.286 126 L HA 0.171 4.470 4.340 -0.069 0.000 0.203 126 L C 2.406 178.901 176.870 -0.624 0.000 1.068 126 L CA 0.524 54.994 54.840 -0.618 0.000 0.811 126 L CB -0.286 41.172 42.059 -1.002 0.000 0.989 126 L HN -0.082 8.148 8.230 0.000 0.000 0.467 127 A N 1.489 124.042 122.820 -0.446 0.000 1.933 127 A HA -0.210 4.069 4.320 -0.069 0.000 0.218 127 A C 1.992 179.510 177.584 -0.110 0.000 1.175 127 A CA 1.781 53.694 52.037 -0.207 0.000 0.628 127 A CB -0.475 18.473 19.000 -0.086 0.000 0.814 127 A HN 0.502 8.652 8.150 0.000 0.000 0.444 128 K N -0.233 120.100 120.400 -0.112 0.000 2.551 128 K HA 0.135 4.414 4.320 -0.069 0.000 0.204 128 K C -0.131 176.438 176.600 -0.051 0.000 1.033 128 K CA 0.140 56.391 56.287 -0.060 0.000 1.187 128 K CB -0.175 32.293 32.500 -0.053 0.000 0.900 128 K HN 0.601 8.851 8.250 0.000 0.000 0.499 129 Q N -1.697 118.058 119.800 -0.075 0.000 2.534 129 Q HA 0.238 4.537 4.340 -0.069 0.000 0.290 129 Q C -0.138 175.847 176.000 -0.024 0.000 0.991 129 Q CA -0.927 54.855 55.803 -0.037 0.000 0.783 129 Q CB 1.557 30.265 28.738 -0.051 0.000 1.470 129 Q HN -0.048 8.222 8.270 0.000 0.000 0.406 130 T N -1.337 113.263 114.554 0.077 0.000 3.041 130 T HA 0.211 4.520 4.350 -0.069 0.000 0.276 130 T C 0.361 175.191 174.700 0.218 0.000 0.948 130 T CA 0.003 62.243 62.100 0.233 0.000 0.885 130 T CB 0.156 69.231 68.868 0.344 0.000 1.175 130 T HN 0.479 8.719 8.240 0.000 0.000 0.529 131 K N 1.174 121.650 120.400 0.126 0.000 2.211 131 K HA 0.201 4.479 4.320 -0.069 0.000 0.203 131 K C 0.597 177.279 176.600 0.136 0.000 1.050 131 K CA 0.654 57.010 56.287 0.114 0.000 0.945 131 K CB 0.022 32.569 32.500 0.077 0.000 0.732 131 K HN 0.497 8.747 8.250 0.000 0.000 0.451 132 I N 2.541 123.191 120.570 0.133 0.000 2.355 132 I HA 0.087 4.216 4.170 -0.069 0.000 0.288 132 I C 0.173 176.425 176.117 0.225 0.000 0.999 132 I CA -0.658 60.735 61.300 0.156 0.000 1.163 132 I CB 1.420 39.451 38.000 0.053 0.000 1.316 132 I HN -0.146 8.064 8.210 0.000 0.000 0.454 133 E N 6.303 126.665 120.200 0.269 0.000 2.373 133 E HA 0.221 4.529 4.350 -0.069 0.000 0.267 133 E C -1.248 175.440 176.600 0.147 0.000 1.032 133 E CA 0.082 56.663 56.400 0.302 0.000 0.889 133 E CB 1.275 31.193 29.700 0.363 0.000 0.984 133 E HN 0.487 8.847 8.360 0.000 0.000 0.425 134 Y N -1.261 119.048 120.300 0.016 0.000 2.479 134 Y HA 0.706 5.216 4.550 -0.066 0.000 0.338 134 Y C -0.131 175.702 175.900 -0.111 0.000 1.055 134 Y CA -0.909 57.002 58.100 -0.314 0.000 1.023 134 Y CB 1.376 39.642 38.460 -0.322 0.000 1.287 134 Y HN 0.521 8.801 8.280 0.000 0.000 0.447 135 G N 0.651 109.394 108.800 -0.095 0.000 2.664 135 G HA2 0.860 4.779 3.960 -0.069 0.000 0.303 135 G HA3 0.860 4.779 3.960 -0.069 0.000 0.303 135 G C -1.848 173.095 174.900 0.071 0.000 1.243 135 G CA -0.501 44.625 45.100 0.044 0.000 0.826 135 G HN 1.384 9.674 8.290 0.000 0.000 0.498 136 A N -1.504 121.399 122.820 0.139 0.000 2.602 136 A HA 0.722 5.001 4.320 -0.069 0.000 0.290 136 A C -0.856 176.830 177.584 0.171 0.000 1.114 136 A CA -0.442 51.686 52.037 0.151 0.000 0.683 136 A CB 1.041 20.121 19.000 0.134 0.000 1.281 136 A HN 1.493 9.643 8.150 0.000 0.000 0.416 137 V N 2.148 122.154 119.914 0.154 0.000 2.493 137 V HA 0.079 4.158 4.120 -0.069 0.000 0.292 137 V C 1.204 177.378 176.094 0.133 0.000 1.016 137 V CA 0.315 62.694 62.300 0.130 0.000 1.097 137 V CB 0.056 31.946 31.823 0.112 0.000 0.947 137 V HN 0.833 9.023 8.190 0.000 0.000 0.479 138 R N 4.907 125.480 120.500 0.121 0.000 2.538 138 R HA -0.010 4.289 4.340 -0.069 0.000 0.282 138 R C 0.360 176.729 176.300 0.114 0.000 1.009 138 R CA 0.308 56.484 56.100 0.128 0.000 1.063 138 R CB -0.055 30.305 30.300 0.100 0.000 0.945 138 R HN 0.897 9.167 8.270 0.000 0.000 0.414 139 D N 1.018 121.495 120.400 0.127 0.000 3.076 139 D HA -0.142 4.457 4.640 -0.069 0.000 0.218 139 D C 0.047 176.395 176.300 0.080 0.000 1.156 139 D CA 1.639 55.696 54.000 0.095 0.000 0.921 139 D CB -1.282 39.564 40.800 0.077 0.000 1.113 139 D HN 0.762 9.132 8.370 0.000 0.000 0.418 140 G N -0.477 108.379 108.800 0.093 0.000 2.511 140 G HA2 0.460 4.379 3.960 -0.069 0.000 0.316 140 G HA3 0.460 4.379 3.960 -0.069 0.000 0.316 140 G C 1.236 176.181 174.900 0.075 0.000 1.210 140 G CA 0.292 45.438 45.100 0.077 0.000 0.969 140 G HN 0.128 8.418 8.290 0.000 0.000 0.492 141 S N -0.307 115.424 115.700 0.051 0.000 2.368 141 S HA -0.236 4.193 4.470 -0.069 0.000 0.226 141 S C 2.145 176.802 174.600 0.095 0.000 1.044 141 S CA 2.415 60.644 58.200 0.048 0.000 1.062 141 S CB -1.095 62.111 63.200 0.011 0.000 0.931 141 S HN 0.524 8.834 8.310 0.000 0.000 0.440 142 T N 2.224 116.845 114.554 0.111 0.000 2.699 142 T HA -0.113 4.196 4.350 -0.069 0.000 0.268 142 T C 1.732 176.647 174.700 0.358 0.000 1.036 142 T CA 1.756 63.973 62.100 0.195 0.000 1.147 142 T CB -0.461 68.508 68.868 0.169 0.000 0.862 142 T HN 0.485 8.725 8.240 0.000 0.000 0.446 143 M N 0.711 120.472 119.600 0.267 0.000 2.132 143 M HA -0.131 4.308 4.480 -0.069 0.000 0.263 143 M C 2.252 178.636 176.300 0.139 0.000 1.065 143 M CA 1.501 56.978 55.300 0.296 0.000 1.122 143 M CB -0.509 32.246 32.600 0.258 0.000 1.365 143 M HN 0.167 8.457 8.290 0.000 0.000 0.411 144 T N 0.925 115.517 114.554 0.062 0.000 2.699 144 T HA -0.216 4.093 4.350 -0.069 0.000 0.268 144 T C 1.310 175.964 174.700 -0.077 0.000 1.036 144 T CA 1.921 63.985 62.100 -0.059 0.000 1.147 144 T CB -0.646 68.216 68.868 -0.011 0.000 0.862 144 T HN 0.520 8.760 8.240 0.000 0.000 0.446 145 F N 1.316 121.203 119.950 -0.105 0.000 2.065 145 F HA -0.149 4.347 4.527 -0.051 0.000 0.298 145 F C 1.717 177.357 175.800 -0.266 0.000 1.112 145 F CA 1.417 59.290 58.000 -0.211 0.000 1.212 145 F CB -0.613 38.211 39.000 -0.293 0.000 0.975 145 F HN 0.129 8.429 8.300 0.000 0.000 0.476 146 F N 0.430 120.348 119.950 -0.052 0.000 2.333 146 F HA -0.114 4.372 4.527 -0.069 0.000 0.300 146 F C 2.373 177.919 175.800 -0.422 0.000 1.083 146 F CA 1.289 59.238 58.000 -0.085 0.000 1.395 146 F CB -0.590 38.581 39.000 0.285 0.000 1.056 146 F HN -0.044 8.256 8.300 0.000 0.000 0.529 147 K N 0.991 120.981 120.400 -0.684 0.000 2.243 147 K HA -0.034 4.244 4.320 -0.069 0.000 0.201 147 K C 1.428 177.636 176.600 -0.654 0.000 1.051 147 K CA 0.960 56.443 56.287 -1.340 0.000 0.970 147 K CB 0.083 31.602 32.500 -1.635 0.000 0.755 147 K HN 0.248 8.498 8.250 0.000 0.000 0.465 148 K N 0.305 120.427 120.400 -0.463 0.000 2.334 148 K HA 0.069 4.348 4.320 -0.069 0.000 0.195 148 K C 0.752 177.152 176.600 -0.333 0.000 1.045 148 K CA -0.120 55.969 56.287 -0.331 0.000 1.004 148 K CB 0.437 32.782 32.500 -0.259 0.000 0.837 148 K HN -0.091 8.159 8.250 0.000 0.000 0.510 149 S N 1.579 116.995 115.700 -0.474 0.000 2.552 149 S HA -0.006 4.423 4.470 -0.069 0.000 0.289 149 S C 0.630 175.113 174.600 -0.196 0.000 1.304 149 S CA 0.150 58.079 58.200 -0.451 0.000 1.063 149 S CB 0.479 63.271 63.200 -0.680 0.000 0.848 149 S HN 0.164 8.474 8.310 0.000 0.000 0.499 150 K N 3.730 124.044 120.400 -0.143 0.000 2.358 150 K HA 0.272 4.551 4.320 -0.069 0.000 0.197 150 K C -0.120 176.452 176.600 -0.047 0.000 1.025 150 K CA -0.014 56.230 56.287 -0.072 0.000 1.104 150 K CB 0.162 32.621 32.500 -0.068 0.000 0.855 150 K HN 0.627 8.877 8.250 0.000 0.000 0.531 151 I N 2.244 122.787 120.570 -0.045 0.000 2.578 151 I HA -0.114 4.015 4.170 -0.069 0.000 0.286 151 I C 1.224 177.293 176.117 -0.079 0.000 1.126 151 I CA -0.022 61.244 61.300 -0.057 0.000 1.380 151 I CB 0.841 38.826 38.000 -0.025 0.000 1.408 151 I HN 0.138 8.348 8.210 0.000 0.000 0.532 152 S N 3.663 119.318 115.700 -0.075 0.000 2.426 152 S HA -0.342 4.087 4.470 -0.069 0.000 0.253 152 S C 2.050 176.615 174.600 -0.058 0.000 1.104 152 S CA 2.585 60.754 58.200 -0.052 0.000 1.158 152 S CB -0.422 62.743 63.200 -0.058 0.000 1.043 152 S HN 0.869 9.179 8.310 0.000 0.000 0.443 153 T N 0.028 114.477 114.554 -0.176 0.000 2.867 153 T HA -0.040 4.269 4.350 -0.069 0.000 0.268 153 T C 1.367 176.039 174.700 -0.047 0.000 1.057 153 T CA 1.050 63.038 62.100 -0.187 0.000 1.136 153 T CB -0.374 68.291 68.868 -0.339 0.000 0.874 153 T HN 0.632 8.872 8.240 0.000 0.000 0.466 154 Y N 0.704 121.091 120.300 0.144 0.000 2.544 154 Y HA 0.221 4.728 4.550 -0.071 0.000 0.286 154 Y C 2.497 178.579 175.900 0.303 0.000 1.141 154 Y CA 0.162 58.422 58.100 0.267 0.000 1.299 154 Y CB 0.101 38.603 38.460 0.070 0.000 1.030 154 Y HN 0.330 8.610 8.280 0.000 0.000 0.543 155 E N 0.749 121.118 120.200 0.282 0.000 2.158 155 E HA -0.166 4.143 4.350 -0.069 0.000 0.191 155 E C 1.936 178.717 176.600 0.302 0.000 0.982 155 E CA 0.663 57.224 56.400 0.268 0.000 0.823 155 E CB 0.047 29.834 29.700 0.145 0.000 0.766 155 E HN 0.346 8.706 8.360 0.000 0.000 0.468 156 K N 0.797 121.343 120.400 0.244 0.000 2.062 156 K HA -0.080 4.199 4.320 -0.069 0.000 0.205 156 K C 2.136 178.923 176.600 0.312 0.000 1.051 156 K CA 0.944 57.364 56.287 0.222 0.000 0.941 156 K CB 0.071 32.660 32.500 0.148 0.000 0.719 156 K HN 0.034 8.284 8.250 0.000 0.000 0.440 157 M N -0.219 119.623 119.600 0.403 0.000 2.117 157 M HA -0.211 4.228 4.480 -0.069 0.000 0.262 157 M C 2.105 178.671 176.300 0.444 0.000 1.065 157 M CA 1.599 57.205 55.300 0.509 0.000 1.114 157 M CB -0.475 32.466 32.600 0.568 0.000 1.361 157 M HN 0.431 8.721 8.290 0.000 0.000 0.408 158 W N 1.135 122.624 121.300 0.314 0.000 2.388 158 W HA -0.132 4.486 4.660 -0.069 0.000 0.294 158 W C 2.065 178.674 176.519 0.149 0.000 1.212 158 W CA 1.523 59.000 57.345 0.220 0.000 1.271 158 W CB -0.100 29.503 29.460 0.238 0.000 1.126 158 W HN 0.209 8.389 8.180 0.000 0.000 0.535 159 A N -0.151 122.705 122.820 0.059 0.000 2.067 159 A HA -0.163 4.115 4.320 -0.069 0.000 0.219 159 A C 1.722 179.237 177.584 -0.114 0.000 1.158 159 A CA 1.291 53.281 52.037 -0.079 0.000 0.661 159 A CB -1.172 17.875 19.000 0.078 0.000 0.801 159 A HN 0.437 8.587 8.150 0.000 0.000 0.452 160 F N -0.178 119.669 119.950 -0.171 0.000 2.147 160 F HA 0.026 4.513 4.527 -0.067 0.000 0.291 160 F C 2.270 177.850 175.800 -0.365 0.000 1.093 160 F CA 1.578 59.438 58.000 -0.233 0.000 1.263 160 F CB -0.197 38.677 39.000 -0.209 0.000 1.036 160 F HN 0.108 8.408 8.300 0.000 0.000 0.481 161 M N 0.240 119.733 119.600 -0.178 0.000 2.108 161 M HA -0.217 4.222 4.480 -0.069 0.000 0.261 161 M C 2.375 178.378 176.300 -0.495 0.000 1.066 161 M CA 2.130 57.249 55.300 -0.300 0.000 1.107 161 M CB -0.733 31.761 32.600 -0.176 0.000 1.356 161 M HN 0.344 8.634 8.290 0.000 0.000 0.406 162 S N 0.042 115.272 115.700 -0.784 0.000 2.383 162 S HA -0.107 4.322 4.470 -0.069 0.000 0.227 162 S C 1.941 176.273 174.600 -0.447 0.000 1.026 162 S CA 1.319 59.051 58.200 -0.779 0.000 0.981 162 S CB -0.898 61.615 63.200 -1.146 0.000 0.818 162 S HN 0.577 8.887 8.310 0.000 0.000 0.472 163 S N 1.088 116.539 115.700 -0.415 0.000 2.474 163 S HA 0.096 4.525 4.470 -0.069 0.000 0.235 163 S C 1.479 175.887 174.600 -0.320 0.000 0.997 163 S CA 0.683 58.692 58.200 -0.318 0.000 0.949 163 S CB -0.299 62.719 63.200 -0.303 0.000 0.766 163 S HN 0.442 8.752 8.310 0.000 0.000 0.517 164 R N 1.031 121.299 120.500 -0.385 0.000 2.748 164 R HA 0.354 4.652 4.340 -0.069 0.000 0.395 164 R C 1.538 177.699 176.300 -0.232 0.000 1.128 164 R CA -0.300 55.607 56.100 -0.323 0.000 1.042 164 R CB -0.614 29.417 30.300 -0.447 0.000 1.392 164 R HN 0.309 8.579 8.270 0.000 0.000 0.582 165 Q N 0.695 120.368 119.800 -0.212 0.000 2.077 165 Q HA -0.254 4.044 4.340 -0.069 0.000 0.206 165 Q C 0.766 176.715 176.000 -0.086 0.000 0.989 165 Q CA 2.037 57.751 55.803 -0.148 0.000 0.853 165 Q CB 0.205 28.864 28.738 -0.131 0.000 0.907 165 Q HN 0.617 8.887 8.270 0.000 0.000 0.418 166 Q N -0.269 119.480 119.800 -0.085 0.000 2.112 166 Q HA -0.138 4.160 4.340 -0.069 0.000 0.206 166 Q C 1.965 177.932 176.000 -0.054 0.000 0.987 166 Q CA 2.165 57.932 55.803 -0.060 0.000 0.858 166 Q CB -0.041 28.661 28.738 -0.060 0.000 0.905 166 Q HN 0.532 8.802 8.270 0.000 0.000 0.420 167 S N -1.764 113.897 115.700 -0.066 0.000 2.526 167 S HA 0.360 4.788 4.470 -0.069 0.000 0.220 167 S C 1.616 176.206 174.600 -0.017 0.000 1.017 167 S CA 0.109 58.277 58.200 -0.053 0.000 0.930 167 S CB 0.750 63.917 63.200 -0.054 0.000 0.856 167 S HN 0.296 8.606 8.310 0.000 0.000 0.497 168 A N 1.522 124.340 122.820 -0.004 0.000 1.956 168 A HA 0.520 4.799 4.320 -0.069 0.000 0.212 168 A C 0.802 178.481 177.584 0.158 0.000 1.188 168 A CA 0.151 52.257 52.037 0.114 0.000 0.675 168 A CB -0.266 18.721 19.000 -0.023 0.000 0.845 168 A HN 0.493 8.643 8.150 0.000 0.000 0.455 169 L N 2.174 123.433 121.223 0.060 0.000 2.261 169 L HA 0.355 4.654 4.340 -0.069 0.000 0.289 169 L C 0.176 177.086 176.870 0.067 0.000 1.059 169 L CA -0.881 54.011 54.840 0.087 0.000 0.816 169 L CB 1.142 43.240 42.059 0.065 0.000 1.191 169 L HN 0.271 8.501 8.230 0.000 0.000 0.431 170 V N 0.884 120.852 119.914 0.091 0.000 3.214 170 V HA 0.245 4.324 4.120 -0.069 0.000 0.306 170 V C 1.141 177.267 176.094 0.052 0.000 1.078 170 V CA -0.451 61.875 62.300 0.045 0.000 1.077 170 V CB 1.291 33.138 31.823 0.040 0.000 1.121 170 V HN 0.820 9.010 8.190 0.000 0.000 0.468 171 K N 1.087 121.507 120.400 0.033 0.000 2.076 171 K HA 0.019 4.298 4.320 -0.069 0.000 0.204 171 K C 0.459 177.090 176.600 0.051 0.000 1.051 171 K CA 1.310 57.620 56.287 0.038 0.000 0.949 171 K CB 0.052 32.566 32.500 0.024 0.000 0.726 171 K HN 1.068 9.318 8.250 0.000 0.000 0.443 172 N N -2.533 116.199 118.700 0.053 0.000 3.020 172 N HA 0.077 4.776 4.740 -0.069 0.000 0.248 172 N C -0.048 175.505 175.510 0.072 0.000 1.480 172 N CA -0.505 52.583 53.050 0.063 0.000 0.874 172 N CB 1.006 39.526 38.487 0.055 0.000 1.433 172 N HN -0.238 8.142 8.380 0.000 0.000 0.530 173 S N -0.136 115.612 115.700 0.080 0.000 2.359 173 S HA -0.167 4.262 4.470 -0.069 0.000 0.223 173 S C 0.729 175.379 174.600 0.084 0.000 1.039 173 S CA 1.644 59.900 58.200 0.092 0.000 1.042 173 S CB -0.546 62.709 63.200 0.092 0.000 0.915 173 S HN 0.660 8.970 8.310 0.000 0.000 0.439 174 D N 0.934 121.376 120.400 0.069 0.000 2.106 174 D HA -0.175 4.424 4.640 -0.069 0.000 0.191 174 D C 1.989 178.316 176.300 0.046 0.000 0.997 174 D CA 1.323 55.358 54.000 0.058 0.000 0.834 174 D CB -0.473 40.356 40.800 0.049 0.000 0.956 174 D HN 0.589 8.959 8.370 0.000 0.000 0.448 175 E N 0.311 120.532 120.200 0.036 0.000 2.077 175 E HA -0.132 4.177 4.350 -0.069 0.000 0.193 175 E C 2.190 178.791 176.600 0.001 0.000 0.989 175 E CA 1.329 57.735 56.400 0.010 0.000 0.800 175 E CB -0.288 29.413 29.700 0.003 0.000 0.746 175 E HN 0.258 8.618 8.360 0.000 0.000 0.452 176 G N 1.185 110.012 108.800 0.045 0.000 2.418 176 G HA2 -0.224 3.695 3.960 -0.069 0.000 0.217 176 G HA3 -0.224 3.695 3.960 -0.069 0.000 0.217 176 G C 1.593 176.573 174.900 0.133 0.000 1.158 176 G CA 0.882 46.041 45.100 0.098 0.000 0.771 176 G HN 0.259 8.549 8.290 0.000 0.000 0.545 177 I N 0.099 120.735 120.570 0.111 0.000 2.202 177 I HA -0.176 3.953 4.170 -0.069 0.000 0.242 177 I C 2.799 178.960 176.117 0.075 0.000 1.091 177 I CA 1.407 62.772 61.300 0.108 0.000 1.368 177 I CB -0.211 37.844 38.000 0.093 0.000 1.058 177 I HN 0.189 8.399 8.210 0.000 0.000 0.410 178 Q N 1.203 121.027 119.800 0.041 0.000 2.170 178 Q HA -0.236 4.063 4.340 -0.069 0.000 0.203 178 Q C 2.144 178.142 176.000 -0.004 0.000 0.976 178 Q CA 1.587 57.400 55.803 0.016 0.000 0.858 178 Q CB -0.209 28.531 28.738 0.003 0.000 0.907 178 Q HN 0.167 8.437 8.270 0.000 0.000 0.433 179 R N -0.857 119.618 120.500 -0.041 0.000 2.115 179 R HA -0.014 4.285 4.340 -0.069 0.000 0.230 179 R C 1.782 178.088 176.300 0.010 0.000 1.111 179 R CA 1.412 57.429 56.100 -0.137 0.000 0.976 179 R CB -0.588 29.443 30.300 -0.448 0.000 0.870 179 R HN 0.241 8.511 8.270 0.000 0.000 0.445 180 V N 0.465 120.478 119.914 0.164 0.000 2.453 180 V HA -0.127 3.952 4.120 -0.069 0.000 0.247 180 V C 2.207 178.355 176.094 0.089 0.000 1.048 180 V CA 1.456 63.905 62.300 0.249 0.000 1.049 180 V CB -0.377 31.596 31.823 0.250 0.000 0.672 180 V HN 0.240 8.430 8.190 0.000 0.000 0.457 181 L N 0.635 121.890 121.223 0.052 0.000 2.109 181 L HA -0.093 4.206 4.340 -0.069 0.000 0.207 181 L C 2.455 179.329 176.870 0.006 0.000 1.086 181 L CA 1.953 56.802 54.840 0.015 0.000 0.760 181 L CB -0.656 41.413 42.059 0.016 0.000 0.910 181 L HN 0.563 8.793 8.230 0.000 0.000 0.437 182 T N -5.616 108.944 114.554 0.011 0.000 3.069 182 T HA 0.177 4.486 4.350 -0.069 0.000 0.252 182 T C 0.521 175.229 174.700 0.013 0.000 1.053 182 T CA -0.099 62.003 62.100 0.004 0.000 0.964 182 T CB 0.238 69.102 68.868 -0.007 0.000 1.005 182 T HN 0.071 8.311 8.240 0.000 0.000 0.532 183 T N 1.329 115.906 114.554 0.038 0.000 2.821 183 T HA 0.326 4.635 4.350 -0.069 0.000 0.306 183 T C -1.628 173.152 174.700 0.134 0.000 1.313 183 T CA -0.838 61.304 62.100 0.070 0.000 1.012 183 T CB 1.844 70.747 68.868 0.058 0.000 1.298 183 T HN -0.016 8.224 8.240 0.000 0.000 0.502 184 D N 1.540 122.034 120.400 0.157 0.000 2.541 184 D HA 0.170 4.769 4.640 -0.069 0.000 0.231 184 D C -1.107 175.415 176.300 0.369 0.000 1.163 184 D CA 0.292 54.428 54.000 0.227 0.000 1.077 184 D CB -0.686 40.229 40.800 0.192 0.000 1.110 184 D HN 0.430 8.800 8.370 0.000 0.000 0.499 185 Y N 0.999 121.448 120.300 0.249 0.000 2.524 185 Y HA 0.581 5.091 4.550 -0.067 0.000 0.347 185 Y C -1.469 174.663 175.900 0.388 0.000 1.005 185 Y CA -1.099 57.160 58.100 0.266 0.000 1.025 185 Y CB 1.697 40.251 38.460 0.156 0.000 1.275 185 Y HN 0.189 8.469 8.280 0.000 0.000 0.460 186 A N 6.417 129.080 122.820 -0.263 0.000 2.343 186 A HA 0.636 4.915 4.320 -0.069 0.000 0.316 186 A C -2.098 175.209 177.584 -0.462 0.000 1.104 186 A CA -0.793 51.168 52.037 -0.127 0.000 0.768 186 A CB 1.098 19.987 19.000 -0.186 0.000 1.213 186 A HN 0.827 8.977 8.150 0.000 0.000 0.456 187 L N 3.885 125.046 121.223 -0.104 0.000 2.296 187 L HA 0.450 4.749 4.340 -0.069 0.000 0.286 187 L C -1.178 175.711 176.870 0.032 0.000 1.023 187 L CA -0.884 53.959 54.840 0.004 0.000 0.812 187 L CB 1.071 43.262 42.059 0.221 0.000 1.223 187 L HN 0.537 8.767 8.230 0.000 0.000 0.421 188 L N 6.199 127.435 121.223 0.022 0.000 2.290 188 L HA 0.496 4.795 4.340 -0.069 0.000 0.284 188 L C -0.055 176.873 176.870 0.096 0.000 1.078 188 L CA 0.339 55.211 54.840 0.053 0.000 0.815 188 L CB 1.209 43.282 42.059 0.023 0.000 1.162 188 L HN 0.815 9.045 8.230 0.000 0.000 0.435 189 M N 1.475 121.127 119.600 0.086 0.000 2.895 189 M HA 0.262 4.701 4.480 -0.069 0.000 0.271 189 M C -1.064 175.266 176.300 0.050 0.000 1.174 189 M CA -0.662 54.688 55.300 0.083 0.000 0.816 189 M CB 2.176 34.838 32.600 0.104 0.000 1.647 189 M HN 0.511 8.801 8.290 0.000 0.000 0.506 190 E N 0.987 121.214 120.200 0.046 0.000 2.558 190 E HA 0.007 4.316 4.350 -0.069 0.000 0.255 190 E C 0.856 177.489 176.600 0.054 0.000 0.968 190 E CA 0.553 56.966 56.400 0.022 0.000 0.939 190 E CB 0.604 30.328 29.700 0.041 0.000 0.921 190 E HN 0.702 9.062 8.360 0.000 0.000 0.477 191 S N 2.194 117.899 115.700 0.007 0.000 2.392 191 S HA -0.288 4.141 4.470 -0.069 0.000 0.232 191 S C 1.967 176.627 174.600 0.101 0.000 1.041 191 S CA 1.942 60.158 58.200 0.028 0.000 1.026 191 S CB -0.838 62.342 63.200 -0.034 0.000 0.845 191 S HN 0.725 9.035 8.310 0.000 0.000 0.465 192 T N 0.424 115.052 114.554 0.124 0.000 2.684 192 T HA -0.115 4.194 4.350 -0.069 0.000 0.267 192 T C 2.011 177.014 174.700 0.506 0.000 1.036 192 T CA 1.740 64.025 62.100 0.308 0.000 1.148 192 T CB -1.109 67.995 68.868 0.393 0.000 0.863 192 T HN 0.444 8.684 8.240 0.000 0.000 0.436 193 S N 1.448 117.348 115.700 0.334 0.000 2.368 193 S HA 0.116 4.544 4.470 -0.069 0.000 0.224 193 S C 2.048 176.816 174.600 0.280 0.000 1.029 193 S CA 1.012 59.382 58.200 0.284 0.000 0.988 193 S CB -0.506 62.808 63.200 0.190 0.000 0.838 193 S HN 0.478 8.788 8.310 0.000 0.000 0.462 194 I N 1.718 122.419 120.570 0.218 0.000 2.163 194 I HA -0.231 3.898 4.170 -0.069 0.000 0.243 194 I C 2.502 178.746 176.117 0.210 0.000 1.085 194 I CA 1.373 62.780 61.300 0.179 0.000 1.347 194 I CB -0.472 37.604 38.000 0.126 0.000 1.044 194 I HN 0.335 8.545 8.210 0.000 0.000 0.408 195 E N -0.064 120.293 120.200 0.262 0.000 2.085 195 E HA -0.286 4.023 4.350 -0.069 0.000 0.194 195 E C 2.107 178.946 176.600 0.399 0.000 0.994 195 E CA 1.592 58.172 56.400 0.300 0.000 0.801 195 E CB -0.268 29.604 29.700 0.286 0.000 0.743 195 E HN 0.484 8.844 8.360 0.000 0.000 0.453 196 Y N 0.873 121.377 120.300 0.340 0.000 2.181 196 Y HA -0.226 4.280 4.550 -0.074 0.000 0.288 196 Y C 2.121 178.046 175.900 0.042 0.000 1.146 196 Y CA 1.162 59.304 58.100 0.069 0.000 1.164 196 Y CB -0.015 38.328 38.460 -0.196 0.000 0.982 196 Y HN -0.162 8.118 8.280 0.000 0.000 0.515 197 V N -0.431 119.596 119.914 0.187 0.000 2.453 197 V HA -0.254 3.825 4.120 -0.069 0.000 0.247 197 V C 2.468 178.586 176.094 0.040 0.000 1.048 197 V CA 2.175 64.532 62.300 0.095 0.000 1.049 197 V CB -1.249 30.657 31.823 0.138 0.000 0.672 197 V HN 0.652 8.842 8.190 0.000 0.000 0.457 198 T N -2.561 112.036 114.554 0.071 0.000 2.915 198 T HA -0.203 4.106 4.350 -0.069 0.000 0.269 198 T C 1.780 176.492 174.700 0.020 0.000 1.071 198 T CA 0.911 63.042 62.100 0.051 0.000 1.132 198 T CB -0.263 68.647 68.868 0.070 0.000 0.878 198 T HN 0.349 8.589 8.240 0.000 0.000 0.479 199 Q N 0.936 120.739 119.800 0.005 0.000 2.291 199 Q HA 0.091 4.390 4.340 -0.069 0.000 0.205 199 Q C 2.054 178.010 176.000 -0.073 0.000 0.970 199 Q CA 0.995 56.781 55.803 -0.028 0.000 0.876 199 Q CB -0.075 28.641 28.738 -0.038 0.000 0.935 199 Q HN 0.636 8.906 8.270 0.000 0.000 0.455 200 R N -0.416 120.026 120.500 -0.097 0.000 2.365 200 R HA 0.205 4.504 4.340 -0.069 0.000 0.223 200 R C 0.061 176.335 176.300 -0.043 0.000 0.899 200 R CA 0.024 56.067 56.100 -0.094 0.000 1.059 200 R CB 0.690 30.897 30.300 -0.156 0.000 1.086 200 R HN 0.077 8.347 8.270 0.000 0.000 0.522 201 N N 0.087 118.775 118.700 -0.021 0.000 2.576 201 N HA 0.111 4.810 4.740 -0.069 0.000 0.269 201 N C -0.393 175.117 175.510 -0.001 0.000 1.058 201 N CA -0.295 52.752 53.050 -0.006 0.000 0.860 201 N CB 1.856 40.347 38.487 0.008 0.000 1.249 201 N HN 0.045 8.425 8.380 0.000 0.000 0.525 202 C N 0.818 120.116 119.300 -0.005 0.000 2.466 202 C HA 0.010 4.429 4.460 -0.069 0.000 0.283 202 C C 1.897 176.886 174.990 -0.003 0.000 1.472 202 C CA 0.126 59.143 59.018 -0.002 0.000 1.765 202 C CB -1.145 26.593 27.740 -0.003 0.000 1.724 202 C HN 0.650 8.880 8.230 0.000 0.000 0.560 203 N N 0.386 119.082 118.700 -0.007 0.000 2.424 203 N HA 0.125 4.824 4.740 -0.069 0.000 0.178 203 N C 0.002 175.498 175.510 -0.024 0.000 1.060 203 N CA 0.584 53.623 53.050 -0.018 0.000 0.901 203 N CB 0.072 38.547 38.487 -0.021 0.000 0.979 203 N HN 0.319 8.699 8.380 0.000 0.000 0.451 204 L N -0.524 120.696 121.223 -0.005 0.000 2.344 204 L HA 0.543 4.842 4.340 -0.069 0.000 0.272 204 L C 0.523 177.411 176.870 0.029 0.000 1.035 204 L CA -0.215 54.630 54.840 0.009 0.000 0.807 204 L CB 1.801 43.879 42.059 0.031 0.000 1.237 204 L HN -0.188 8.042 8.230 0.000 0.000 0.442 205 T N 0.399 114.983 114.554 0.050 0.000 2.821 205 T HA 0.323 4.632 4.350 -0.069 0.000 0.306 205 T C -1.360 173.393 174.700 0.087 0.000 1.313 205 T CA -0.582 61.556 62.100 0.064 0.000 1.012 205 T CB 1.389 70.291 68.868 0.057 0.000 1.298 205 T HN 0.621 8.861 8.240 0.000 0.000 0.502 206 Q N 2.533 122.379 119.800 0.075 0.000 2.293 206 Q HA 0.525 4.824 4.340 -0.069 0.000 0.251 206 Q C -0.941 175.098 176.000 0.064 0.000 0.930 206 Q CA -0.603 55.242 55.803 0.071 0.000 0.893 206 Q CB 0.562 29.334 28.738 0.057 0.000 1.215 206 Q HN 0.518 8.788 8.270 0.000 0.000 0.425 207 I N 3.432 124.034 120.570 0.054 0.000 2.406 207 I HA 0.472 4.601 4.170 -0.069 0.000 0.290 207 I C 0.703 176.822 176.117 0.005 0.000 0.999 207 I CA 0.434 61.752 61.300 0.029 0.000 1.124 207 I CB 0.430 38.434 38.000 0.007 0.000 1.289 207 I HN 0.976 9.186 8.210 0.000 0.000 0.441 208 G N 4.716 113.517 108.800 0.001 0.000 2.750 208 G HA2 -0.029 3.890 3.960 -0.069 0.000 0.228 208 G HA3 -0.029 3.890 3.960 -0.069 0.000 0.228 208 G C 0.052 174.952 174.900 -0.000 0.000 1.367 208 G CA -0.265 44.833 45.100 -0.002 0.000 0.871 208 G HN 1.004 9.294 8.290 0.000 0.000 0.560 209 G N -1.567 107.231 108.800 -0.002 0.000 2.736 209 G HA2 0.670 4.589 3.960 -0.069 0.000 0.229 209 G HA3 0.670 4.589 3.960 -0.069 0.000 0.229 209 G C 0.228 175.111 174.900 -0.028 0.000 1.380 209 G CA -0.757 44.335 45.100 -0.013 0.000 1.040 209 G HN 1.002 9.292 8.290 0.000 0.000 0.568 210 L N 0.683 121.877 121.223 -0.048 0.000 2.367 210 L HA 0.249 4.548 4.340 -0.069 0.000 0.275 210 L C 1.171 177.978 176.870 -0.104 0.000 1.129 210 L CA -0.207 54.579 54.840 -0.090 0.000 0.839 210 L CB 1.315 43.311 42.059 -0.105 0.000 1.133 210 L HN 0.418 8.648 8.230 0.000 0.000 0.453 211 I N 0.923 121.377 120.570 -0.193 0.000 2.703 211 I HA -0.067 4.062 4.170 -0.069 0.000 0.259 211 I C 0.621 176.494 176.117 -0.407 0.000 1.151 211 I CA 0.695 61.823 61.300 -0.287 0.000 1.470 211 I CB 0.115 37.837 38.000 -0.464 0.000 1.112 211 I HN 0.783 8.993 8.210 0.000 0.000 0.437 212 D N -1.032 119.076 120.400 -0.487 0.000 2.781 212 D HA 0.356 4.955 4.640 -0.069 0.000 0.295 212 D C -0.752 175.393 176.300 -0.258 0.000 1.143 212 D CA -0.571 53.184 54.000 -0.407 0.000 1.076 212 D CB 1.843 42.228 40.800 -0.692 0.000 1.444 212 D HN -0.181 8.189 8.370 0.000 0.000 0.567 213 S N -1.297 114.286 115.700 -0.194 0.000 2.546 213 S HA 0.647 5.076 4.470 -0.069 0.000 0.272 213 S C -1.573 172.927 174.600 -0.168 0.000 1.140 213 S CA -0.753 57.345 58.200 -0.170 0.000 0.920 213 S CB 0.592 63.718 63.200 -0.124 0.000 1.083 213 S HN 0.769 9.079 8.310 0.000 0.000 0.476 214 K N 1.765 122.041 120.400 -0.206 0.000 2.607 214 K HA 0.723 5.002 4.320 -0.069 0.000 0.287 214 K C -0.661 175.762 176.600 -0.295 0.000 0.996 214 K CA -1.178 54.978 56.287 -0.218 0.000 0.876 214 K CB 0.929 33.305 32.500 -0.208 0.000 1.496 214 K HN 0.703 8.953 8.250 0.000 0.000 0.415 215 G N 0.468 109.086 108.800 -0.303 0.000 2.574 215 G HA2 0.527 4.446 3.960 -0.069 0.000 0.299 215 G HA3 0.527 4.446 3.960 -0.069 0.000 0.299 215 G C -1.754 172.935 174.900 -0.352 0.000 1.298 215 G CA -0.875 43.998 45.100 -0.378 0.000 0.952 215 G HN 0.441 8.731 8.290 0.000 0.000 0.477 216 Y N 0.038 120.051 120.300 -0.478 0.000 2.313 216 Y HA 0.545 5.071 4.550 -0.040 0.000 0.332 216 Y C 1.020 176.493 175.900 -0.711 0.000 1.071 216 Y CA -0.547 57.197 58.100 -0.592 0.000 1.169 216 Y CB 2.119 40.090 38.460 -0.814 0.000 1.192 216 Y HN 0.685 8.965 8.280 0.000 0.000 0.487 217 G N 1.457 110.221 108.800 -0.060 0.000 2.605 217 G HA2 0.507 4.426 3.960 -0.069 0.000 0.296 217 G HA3 0.507 4.426 3.960 -0.069 0.000 0.296 217 G C -1.641 173.591 174.900 0.553 0.000 1.304 217 G CA -0.761 44.473 45.100 0.223 0.000 0.941 217 G HN 0.403 8.693 8.290 0.000 0.000 0.475 218 V N 0.724 120.943 119.914 0.508 0.000 2.488 218 V HA 0.515 4.593 4.120 -0.069 0.000 0.277 218 V C 1.196 177.379 176.094 0.148 0.000 1.046 218 V CA 0.144 62.631 62.300 0.311 0.000 0.986 218 V CB 0.931 32.870 31.823 0.193 0.000 0.989 218 V HN 0.902 9.092 8.190 0.000 0.000 0.475 219 G N 3.623 112.396 108.800 -0.045 0.000 2.420 219 G HA2 0.619 4.538 3.960 -0.069 0.000 0.284 219 G HA3 0.619 4.538 3.960 -0.069 0.000 0.284 219 G C -0.067 174.668 174.900 -0.275 0.000 1.177 219 G CA 0.148 45.000 45.100 -0.414 0.000 0.841 219 G HN 0.867 9.157 8.290 0.000 0.000 0.527 220 T N -0.393 113.980 114.554 -0.302 0.000 2.864 220 T HA 0.733 5.042 4.350 -0.069 0.000 0.299 220 T C -3.147 171.437 174.700 -0.192 0.000 1.166 220 T CA -1.781 60.205 62.100 -0.191 0.000 1.007 220 T CB 2.406 71.213 68.868 -0.101 0.000 1.219 220 T HN 0.282 8.522 8.240 0.000 0.000 0.506 221 P HA 0.338 4.758 4.420 0.000 0.000 0.272 221 P C -0.018 177.234 177.300 -0.081 0.000 1.240 221 P CA -0.628 62.422 63.100 -0.085 0.000 0.791 221 P CB 0.235 31.920 31.700 -0.024 0.000 0.978 222 I N 0.958 121.490 120.570 -0.063 0.000 2.752 222 I HA 0.025 4.154 4.170 -0.069 0.000 0.289 222 I C 1.649 177.746 176.117 -0.034 0.000 1.197 222 I CA 1.425 62.693 61.300 -0.052 0.000 1.432 222 I CB -0.701 37.272 38.000 -0.045 0.000 1.359 222 I HN 0.751 8.961 8.210 0.000 0.000 0.571 223 G N 3.960 112.739 108.800 -0.035 0.000 2.179 223 G HA2 -0.296 3.623 3.960 -0.069 0.000 0.260 223 G HA3 -0.296 3.623 3.960 -0.069 0.000 0.260 223 G C 0.515 175.387 174.900 -0.047 0.000 0.977 223 G CA 0.315 45.394 45.100 -0.035 0.000 0.641 223 G HN 0.716 9.006 8.290 0.000 0.000 0.533 224 S N 1.658 117.331 115.700 -0.045 0.000 2.546 224 S HA 0.371 4.800 4.470 -0.069 0.000 0.290 224 S C 0.101 174.671 174.600 -0.050 0.000 1.290 224 S CA 0.053 58.235 58.200 -0.030 0.000 1.069 224 S CB 1.048 64.256 63.200 0.013 0.000 0.846 224 S HN 0.296 8.606 8.310 0.000 0.000 0.495 225 P HA 0.011 4.431 4.420 0.000 0.000 0.242 225 P C 0.223 177.348 177.300 -0.291 0.000 1.197 225 P CA 0.714 63.678 63.100 -0.227 0.000 0.765 225 P CB -0.100 31.404 31.700 -0.327 0.000 0.936 226 Y N -0.405 119.858 120.300 -0.062 0.000 2.490 226 Y HA 0.117 4.625 4.550 -0.070 0.000 0.285 226 Y C 2.874 178.755 175.900 -0.031 0.000 1.117 226 Y CA 0.072 58.137 58.100 -0.058 0.000 1.262 226 Y CB -0.369 38.012 38.460 -0.132 0.000 1.043 226 Y HN -0.181 8.099 8.280 0.000 0.000 0.553 227 R N 1.085 121.644 120.500 0.098 0.000 2.097 227 R HA -0.207 4.092 4.340 -0.069 0.000 0.236 227 R C 1.126 177.472 176.300 0.076 0.000 1.135 227 R CA 2.389 58.534 56.100 0.075 0.000 0.934 227 R CB -0.532 29.794 30.300 0.042 0.000 0.846 227 R HN 0.267 8.537 8.270 0.000 0.000 0.431 228 D N 0.355 120.785 120.400 0.049 0.000 2.178 228 D HA -0.100 4.498 4.640 -0.069 0.000 0.202 228 D C 1.937 178.273 176.300 0.059 0.000 0.974 228 D CA 1.102 55.131 54.000 0.047 0.000 0.841 228 D CB -0.019 40.796 40.800 0.024 0.000 0.953 228 D HN 0.334 8.704 8.370 0.000 0.000 0.478 229 K N 0.203 120.641 120.400 0.063 0.000 2.057 229 K HA -0.050 4.229 4.320 -0.069 0.000 0.207 229 K C 2.275 178.944 176.600 0.116 0.000 1.049 229 K CA 0.614 56.952 56.287 0.085 0.000 0.931 229 K CB 0.009 32.572 32.500 0.105 0.000 0.714 229 K HN 0.184 8.434 8.250 0.000 0.000 0.440 230 I N 0.972 121.624 120.570 0.136 0.000 2.226 230 I HA -0.265 3.864 4.170 -0.069 0.000 0.245 230 I C 2.212 178.404 176.117 0.125 0.000 1.100 230 I CA 1.227 62.611 61.300 0.140 0.000 1.374 230 I CB -0.465 37.617 38.000 0.136 0.000 1.057 230 I HN 0.181 8.391 8.210 0.000 0.000 0.413 231 T N 1.256 115.879 114.554 0.115 0.000 2.665 231 T HA -0.191 4.118 4.350 -0.069 0.000 0.268 231 T C 1.891 176.645 174.700 0.090 0.000 1.035 231 T CA 1.603 63.767 62.100 0.107 0.000 1.151 231 T CB -0.308 68.613 68.868 0.088 0.000 0.862 231 T HN 0.254 8.494 8.240 0.000 0.000 0.438 232 I N 1.097 121.713 120.570 0.076 0.000 2.286 232 I HA -0.175 3.954 4.170 -0.069 0.000 0.248 232 I C 2.857 179.013 176.117 0.065 0.000 1.115 232 I CA 1.037 62.375 61.300 0.063 0.000 1.392 232 I CB -0.444 37.587 38.000 0.052 0.000 1.065 232 I HN 0.198 8.408 8.210 0.000 0.000 0.418 233 A N 1.019 123.884 122.820 0.075 0.000 1.902 233 A HA -0.164 4.115 4.320 -0.069 0.000 0.217 233 A C 2.297 179.923 177.584 0.070 0.000 1.181 233 A CA 1.415 53.492 52.037 0.066 0.000 0.623 233 A CB -0.768 18.275 19.000 0.072 0.000 0.818 233 A HN 0.357 8.507 8.150 0.000 0.000 0.443 234 I N -0.289 120.338 120.570 0.095 0.000 2.163 234 I HA -0.287 3.842 4.170 -0.069 0.000 0.243 234 I C 2.390 178.569 176.117 0.104 0.000 1.085 234 I CA 1.243 62.615 61.300 0.121 0.000 1.347 234 I CB -0.335 37.773 38.000 0.181 0.000 1.044 234 I HN 0.305 8.515 8.210 0.000 0.000 0.408 235 L N -0.059 121.216 121.223 0.086 0.000 2.042 235 L HA -0.269 4.030 4.340 -0.069 0.000 0.210 235 L C 2.684 179.589 176.870 0.058 0.000 1.076 235 L CA 1.510 56.391 54.840 0.068 0.000 0.749 235 L CB -0.682 41.411 42.059 0.055 0.000 0.893 235 L HN 0.327 8.557 8.230 0.000 0.000 0.432 236 Q N -0.097 119.734 119.800 0.052 0.000 2.061 236 Q HA -0.216 4.082 4.340 -0.069 0.000 0.204 236 Q C 2.392 178.419 176.000 0.044 0.000 0.984 236 Q CA 1.426 57.254 55.803 0.042 0.000 0.846 236 Q CB -0.276 28.484 28.738 0.035 0.000 0.902 236 Q HN 0.501 8.771 8.270 0.000 0.000 0.421 237 L N 0.644 121.897 121.223 0.051 0.000 2.042 237 L HA -0.241 4.058 4.340 -0.069 0.000 0.210 237 L C 2.794 179.708 176.870 0.073 0.000 1.076 237 L CA 1.058 55.931 54.840 0.054 0.000 0.749 237 L CB -0.488 41.602 42.059 0.051 0.000 0.893 237 L HN 0.331 8.561 8.230 0.000 0.000 0.432 238 Q N 0.718 120.568 119.800 0.084 0.000 2.046 238 Q HA -0.218 4.081 4.340 -0.069 0.000 0.200 238 Q C 1.953 177.990 176.000 0.062 0.000 0.975 238 Q CA 1.774 57.630 55.803 0.088 0.000 0.836 238 Q CB -0.042 28.749 28.738 0.090 0.000 0.896 238 Q HN 0.556 8.826 8.270 0.000 0.000 0.428 239 E N 0.309 120.538 120.200 0.048 0.000 2.153 239 E HA -0.173 4.136 4.350 -0.069 0.000 0.194 239 E C 1.531 178.148 176.600 0.028 0.000 0.988 239 E CA 0.987 57.407 56.400 0.032 0.000 0.811 239 E CB 0.011 29.728 29.700 0.027 0.000 0.746 239 E HN 0.483 8.843 8.360 0.000 0.000 0.466 240 E N -0.464 119.756 120.200 0.034 0.000 2.502 240 E HA 0.033 4.342 4.350 -0.069 0.000 0.194 240 E C 0.915 177.539 176.600 0.039 0.000 1.062 240 E CA 0.242 56.661 56.400 0.031 0.000 0.867 240 E CB 0.373 30.090 29.700 0.029 0.000 0.888 240 E HN 0.374 8.734 8.360 0.000 0.000 0.510 241 G N 2.020 110.851 108.800 0.050 0.000 2.155 241 G HA2 -0.370 3.549 3.960 -0.069 0.000 0.257 241 G HA3 -0.370 3.549 3.960 -0.069 0.000 0.257 241 G C 0.896 175.868 174.900 0.120 0.000 0.983 241 G CA 0.804 45.948 45.100 0.073 0.000 0.676 241 G HN 0.271 8.561 8.290 0.000 0.000 0.528 242 K N -0.461 119.995 120.400 0.094 0.000 2.155 242 K HA 0.214 4.493 4.320 -0.069 0.000 0.203 242 K C 2.522 179.187 176.600 0.108 0.000 1.052 242 K CA 1.130 57.468 56.287 0.086 0.000 0.948 242 K CB -0.126 32.404 32.500 0.049 0.000 0.728 242 K HN 0.462 8.712 8.250 0.000 0.000 0.448 243 L N -0.026 121.278 121.223 0.136 0.000 2.093 243 L HA -0.181 4.118 4.340 -0.069 0.000 0.208 243 L C 2.581 179.588 176.870 0.227 0.000 1.085 243 L CA 1.287 56.242 54.840 0.191 0.000 0.755 243 L CB -0.564 41.630 42.059 0.225 0.000 0.904 243 L HN 0.287 8.517 8.230 0.000 0.000 0.435 244 H N 0.357 119.492 119.070 0.109 0.000 2.321 244 H HA -0.175 4.334 4.556 -0.078 0.000 0.300 244 H C 2.333 177.723 175.328 0.104 0.000 1.087 244 H CA 1.896 57.995 56.048 0.086 0.000 1.319 244 H CB 0.054 29.846 29.762 0.050 0.000 1.379 244 H HN 0.121 8.401 8.280 0.000 0.000 0.501 245 M N -0.402 119.277 119.600 0.131 0.000 2.065 245 M HA -0.205 4.234 4.480 -0.069 0.000 0.259 245 M C 2.489 178.826 176.300 0.061 0.000 1.069 245 M CA 2.006 57.346 55.300 0.067 0.000 1.110 245 M CB -0.351 32.307 32.600 0.097 0.000 1.328 245 M HN 0.372 8.662 8.290 0.000 0.000 0.405 246 M N 0.032 119.708 119.600 0.127 0.000 2.108 246 M HA -0.212 4.226 4.480 -0.069 0.000 0.261 246 M C 2.243 178.840 176.300 0.495 0.000 1.066 246 M CA 1.594 57.033 55.300 0.233 0.000 1.107 246 M CB -0.588 32.042 32.600 0.051 0.000 1.356 246 M HN 0.105 8.395 8.290 0.000 0.000 0.406 247 K N 0.944 121.590 120.400 0.410 0.000 2.026 247 K HA -0.178 4.101 4.320 -0.069 0.000 0.208 247 K C 1.689 178.457 176.600 0.280 0.000 1.048 247 K CA 1.793 58.267 56.287 0.312 0.000 0.929 247 K CB -0.314 32.132 32.500 -0.089 0.000 0.713 247 K HN 0.350 8.600 8.250 0.000 0.000 0.439 248 E N 0.451 120.665 120.200 0.023 0.000 2.085 248 E HA -0.248 4.061 4.350 -0.069 0.000 0.194 248 E C 1.924 178.568 176.600 0.073 0.000 0.994 248 E CA 1.423 57.819 56.400 -0.006 0.000 0.801 248 E CB -0.094 29.505 29.700 -0.168 0.000 0.743 248 E HN 0.359 8.719 8.360 0.000 0.000 0.453 249 K N -0.396 120.020 120.400 0.025 0.000 2.044 249 K HA -0.201 4.078 4.320 -0.069 0.000 0.210 249 K C 1.651 178.082 176.600 -0.281 0.000 1.049 249 K CA 2.035 58.208 56.287 -0.190 0.000 0.927 249 K CB -0.213 32.094 32.500 -0.322 0.000 0.713 249 K HN 0.243 8.493 8.250 0.000 0.000 0.443 250 W N -0.985 120.488 121.300 0.288 0.000 2.576 250 W HA 0.060 4.676 4.660 -0.074 0.000 0.275 250 W C 2.062 178.714 176.519 0.221 0.000 1.241 250 W CA -0.352 57.144 57.345 0.252 0.000 1.328 250 W CB -0.157 29.466 29.460 0.271 0.000 1.092 250 W HN 0.155 8.335 8.180 0.000 0.000 0.586 251 W N 1.747 123.201 121.300 0.256 0.000 2.539 251 W HA 0.050 4.687 4.660 -0.038 0.000 0.281 251 W C 1.025 177.538 176.519 -0.010 0.000 1.220 251 W CA 0.268 57.713 57.345 0.166 0.000 1.332 251 W CB -0.291 29.256 29.460 0.145 0.000 1.095 251 W HN -0.250 7.930 8.180 0.000 0.000 0.571 252 R N 1.323 121.937 120.500 0.190 0.000 2.504 252 R HA 0.229 4.528 4.340 -0.069 0.000 0.291 252 R C 0.341 176.627 176.300 -0.024 0.000 0.974 252 R CA 0.880 57.016 56.100 0.060 0.000 1.077 252 R CB 0.185 30.501 30.300 0.028 0.000 0.926 252 R HN -0.111 8.159 8.270 0.000 0.000 0.407 253 G N 2.363 111.137 108.800 -0.043 0.000 3.039 253 G HA2 0.258 4.177 3.960 -0.069 0.000 0.159 253 G HA3 0.258 4.177 3.960 -0.069 0.000 0.159 253 G C -0.812 174.060 174.900 -0.046 0.000 1.284 253 G CA -1.102 43.951 45.100 -0.078 0.000 0.996 253 G HN 0.710 9.000 8.290 0.000 0.000 0.592 254 N N 0.000 118.674 118.700 -0.044 0.000 1.763 254 N HA 0.000 4.699 4.740 -0.069 0.000 0.220 254 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 254 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 254 N HN 0.000 8.380 8.380 0.000 0.000 0.667