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 2fyh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRAFIAIDVS ESVRDALVRA QDYIGSKEAK IKFVERENFH ITLKFLGEIT DATA SEQUENCE EEQAEEIKKI LEKIAKKYKK HEVNVRGIGV FPNPNYVRVI WAGVENDEII DATA SEQUENCE KKIAKEIDDE LAKLGFKKEG NFVAHITLGR VKFVKDKLGL AMKLKELANE DATA SEQUENCE DFGSFIVEAI ELKKSTLTPK GPIYETLARF ELSEHHHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.449 4.480 -0.052 0.000 0.227 1 M C 0.000 176.275 176.300 -0.042 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 R N 2.172 122.658 120.500 -0.024 0.000 4.113 2 R HA 0.008 4.345 4.340 -0.044 -0.023 0.179 2 R C -0.845 175.443 176.300 -0.020 0.000 1.781 2 R CA -0.926 55.172 56.100 -0.003 0.000 1.402 2 R CB -0.724 29.642 30.300 0.109 0.000 1.375 2 R HN -0.216 8.044 8.270 -0.017 0.000 0.786 3 A N 2.787 125.538 122.820 -0.114 0.000 2.448 3 A HA 0.070 4.348 4.320 -0.300 -0.139 0.239 3 A C -1.621 175.888 177.584 -0.124 0.000 1.080 3 A CA 0.379 52.304 52.037 -0.187 0.000 0.779 3 A CB 1.270 20.182 19.000 -0.147 0.000 1.026 3 A HN 0.427 8.455 8.150 -0.102 0.061 0.499 4 F N -5.206 114.653 119.950 -0.152 0.000 2.655 4 F HA 0.481 4.926 4.527 -0.137 0.000 0.324 4 F C -2.780 173.001 175.800 -0.033 0.000 1.081 4 F CA -1.263 56.680 58.000 -0.095 0.000 1.088 4 F CB 1.372 40.380 39.000 0.014 0.000 1.327 4 F HN -0.031 7.942 8.300 -0.546 0.000 0.522 5 I N -1.581 119.079 120.570 0.150 0.000 2.395 5 I HA 0.565 4.852 4.170 -0.010 -0.123 0.289 5 I C -1.420 174.836 176.117 0.231 0.000 1.023 5 I CA -1.262 60.095 61.300 0.095 0.000 1.350 5 I CB 0.678 38.698 38.000 0.033 0.000 1.409 5 I HN -0.198 8.101 8.210 0.149 0.000 0.507 6 A N 5.649 128.581 122.820 0.186 0.000 2.486 6 A HA 0.997 5.616 4.320 0.272 -0.136 0.289 6 A C -2.162 175.520 177.584 0.163 0.000 1.176 6 A CA -2.483 49.699 52.037 0.243 0.000 0.757 6 A CB 4.307 23.515 19.000 0.346 0.000 1.337 6 A HN 1.050 9.248 8.150 0.080 0.000 0.423 7 I N -1.258 119.428 120.570 0.193 0.000 2.362 7 I HA 0.187 4.431 4.170 0.124 0.000 0.289 7 I C -0.666 175.515 176.117 0.106 0.000 0.994 7 I CA -1.084 60.310 61.300 0.156 0.000 1.158 7 I CB 1.833 39.965 38.000 0.220 0.000 1.315 7 I HN -0.219 8.136 8.210 0.242 0.000 0.451 8 D N 6.165 126.595 120.400 0.049 0.000 2.533 8 D HA -0.159 4.506 4.640 0.040 0.000 0.236 8 D C -0.358 175.830 176.300 -0.186 0.000 1.137 8 D CA 1.315 55.307 54.000 -0.013 0.000 0.867 8 D CB 0.803 41.596 40.800 -0.012 0.000 1.170 8 D HN 0.361 8.767 8.370 0.061 0.000 0.474 9 V N 0.675 120.482 119.914 -0.178 0.000 2.239 9 V HA 0.313 3.949 4.120 -0.807 0.000 0.267 9 V C -0.917 175.029 176.094 -0.248 0.000 1.056 9 V CA -1.687 60.390 62.300 -0.372 0.000 0.830 9 V CB -0.317 31.389 31.823 -0.196 0.000 1.090 9 V HN 0.053 8.215 8.190 -0.047 0.000 0.459 10 S N 5.675 121.206 115.700 -0.281 0.000 2.536 10 S HA -0.286 4.149 4.470 -0.057 0.000 0.290 10 S C 1.340 175.899 174.600 -0.069 0.000 1.302 10 S CA 0.536 58.668 58.200 -0.114 0.000 1.037 10 S CB 0.929 64.085 63.200 -0.074 0.000 0.804 10 S HN 0.067 8.119 8.310 -0.430 0.000 0.506 11 E N 5.242 125.433 120.200 -0.015 0.000 2.113 11 E HA -0.467 3.881 4.350 -0.003 0.000 0.210 11 E C 2.061 178.660 176.600 -0.002 0.000 1.040 11 E CA 3.437 59.836 56.400 -0.003 0.000 0.847 11 E CB -0.329 29.377 29.700 0.010 0.000 0.755 11 E HN 0.680 9.042 8.360 0.004 0.000 0.459 12 S N -0.921 114.786 115.700 0.012 0.000 2.414 12 S HA -0.346 4.147 4.470 0.039 0.000 0.241 12 S C 1.776 176.404 174.600 0.046 0.000 1.079 12 S CA 2.964 61.188 58.200 0.039 0.000 1.087 12 S CB -0.599 62.642 63.200 0.069 0.000 0.927 12 S HN -0.085 8.233 8.310 0.014 -0.000 0.456 13 V N 1.738 121.658 119.914 0.011 0.000 2.326 13 V HA -0.194 3.966 4.120 0.066 0.000 0.238 13 V C 1.556 177.608 176.094 -0.070 0.000 1.038 13 V CA 2.641 64.940 62.300 -0.001 0.000 1.032 13 V CB 0.037 31.837 31.823 -0.038 0.000 0.675 13 V HN -0.004 8.055 8.190 -0.031 0.112 0.467 14 R N -0.221 120.239 120.500 -0.067 0.000 2.191 14 R HA -0.537 3.784 4.340 -0.031 0.000 0.248 14 R C 1.946 178.211 176.300 -0.058 0.000 1.127 14 R CA 3.933 60.013 56.100 -0.034 0.000 0.943 14 R CB -0.429 29.883 30.300 0.020 0.000 0.891 14 R HN -0.545 7.680 8.270 -0.075 0.000 0.439 15 D N -2.192 118.191 120.400 -0.028 0.000 2.144 15 D HA -0.229 4.399 4.640 -0.019 0.000 0.199 15 D C 1.551 177.827 176.300 -0.040 0.000 0.984 15 D CA 3.306 57.292 54.000 -0.024 0.000 0.834 15 D CB -0.030 40.768 40.800 -0.003 0.000 0.955 15 D HN -0.179 8.075 8.370 -0.016 0.106 0.465 16 A N 0.598 123.407 122.820 -0.019 0.000 1.842 16 A HA -0.376 4.003 4.320 0.100 0.000 0.217 16 A C 2.142 179.712 177.584 -0.024 0.000 1.206 16 A CA 3.070 55.146 52.037 0.065 0.000 0.630 16 A CB -0.729 18.379 19.000 0.180 0.000 0.839 16 A HN -0.723 7.311 8.150 -0.014 0.108 0.447 17 L N -2.735 118.275 121.223 -0.355 0.000 2.051 17 L HA -0.499 3.356 4.340 -0.807 0.000 0.214 17 L C 2.733 179.328 176.870 -0.459 0.000 1.076 17 L CA 2.867 57.305 54.840 -0.671 0.000 0.758 17 L CB -0.557 40.853 42.059 -1.081 0.000 0.890 17 L HN -0.545 7.459 8.230 -0.377 0.000 0.433 18 V N -1.024 118.691 119.914 -0.333 0.000 2.332 18 V HA -0.506 3.457 4.120 -0.262 0.000 0.248 18 V C 1.948 177.968 176.094 -0.124 0.000 1.055 18 V CA 4.834 67.013 62.300 -0.202 0.000 1.038 18 V CB -0.353 31.424 31.823 -0.075 0.000 0.651 18 V HN -0.657 7.270 8.190 -0.301 0.083 0.450 19 R N -0.661 119.805 120.500 -0.057 0.000 2.103 19 R HA -0.468 3.870 4.340 -0.003 0.000 0.242 19 R C 2.027 178.341 176.300 0.024 0.000 1.142 19 R CA 3.637 59.736 56.100 -0.003 0.000 0.960 19 R CB -0.233 30.079 30.300 0.020 0.000 0.858 19 R HN -0.048 8.097 8.270 -0.056 0.092 0.439 20 A N -1.838 121.005 122.820 0.038 0.000 1.873 20 A HA -0.238 4.167 4.320 0.142 0.000 0.215 20 A C 2.180 179.778 177.584 0.024 0.000 1.186 20 A CA 2.737 54.830 52.037 0.094 0.000 0.616 20 A CB -0.584 18.528 19.000 0.187 0.000 0.823 20 A HN -0.633 7.444 8.150 0.033 0.092 0.442 21 Q N -0.915 118.766 119.800 -0.197 0.000 2.030 21 Q HA -0.492 3.607 4.340 -0.400 0.000 0.204 21 Q C 2.486 178.425 176.000 -0.101 0.000 0.986 21 Q CA 3.275 58.831 55.803 -0.412 0.000 0.843 21 Q CB -0.176 28.004 28.738 -0.931 0.000 0.904 21 Q HN -0.328 7.789 8.270 -0.256 0.000 0.420 22 D N -0.967 119.405 120.400 -0.047 0.000 2.149 22 D HA -0.298 4.368 4.640 0.042 0.000 0.194 22 D C 1.769 178.127 176.300 0.097 0.000 1.001 22 D CA 3.497 57.520 54.000 0.038 0.000 0.849 22 D CB -0.371 40.451 40.800 0.036 0.000 0.939 22 D HN 0.050 8.367 8.370 -0.088 0.000 0.449 23 Y N -2.630 117.668 120.300 -0.004 0.000 2.293 23 Y HA -0.222 4.333 4.550 0.008 0.000 0.291 23 Y C 0.345 176.264 175.900 0.031 0.000 1.137 23 Y CA 1.999 60.103 58.100 0.008 0.000 1.202 23 Y CB 0.112 38.569 38.460 -0.005 0.000 0.990 23 Y HN -0.840 7.468 8.280 0.199 0.091 0.537 24 I N -2.958 117.550 120.570 -0.104 0.000 2.130 24 I HA -0.385 3.565 4.170 -0.367 0.000 0.234 24 I C 0.405 176.488 176.117 -0.057 0.000 1.067 24 I CA 1.627 62.848 61.300 -0.131 0.000 1.339 24 I CB 0.639 38.716 38.000 0.129 0.000 1.073 24 I HN -0.792 7.325 8.210 0.061 0.130 0.405 25 G N -2.223 106.650 108.800 0.123 0.000 2.856 25 G HA2 -0.286 3.783 3.960 0.180 0.000 0.674 25 G HA3 -0.286 3.689 3.960 0.024 0.000 0.674 25 G C -1.921 172.977 174.900 -0.004 0.000 1.519 25 G CA -0.154 45.001 45.100 0.091 0.000 0.940 25 G HN -0.317 8.130 8.290 0.263 0.000 0.564 26 S N 0.872 116.545 115.700 -0.046 0.000 2.481 26 S HA 0.150 4.644 4.470 -0.172 -0.128 0.243 26 S C 0.906 175.452 174.600 -0.090 0.000 1.152 26 S CA -0.537 57.585 58.200 -0.130 0.000 1.168 26 S CB 0.437 63.526 63.200 -0.185 0.000 0.835 26 S HN 0.072 8.378 8.310 -0.007 0.000 0.474 27 K N 2.297 122.659 120.400 -0.064 0.000 1.973 27 K HA -0.183 4.121 4.320 -0.026 0.000 0.212 27 K C 0.853 177.432 176.600 -0.035 0.000 1.047 27 K CA 2.825 59.088 56.287 -0.040 0.000 0.937 27 K CB 0.157 32.634 32.500 -0.039 0.000 0.721 27 K HN 0.332 8.467 8.250 -0.066 0.076 0.440 28 E N -2.409 117.762 120.200 -0.048 0.000 2.132 28 E HA -0.025 4.327 4.350 0.003 0.000 0.193 28 E C -0.846 175.724 176.600 -0.051 0.000 0.951 28 E CA 0.520 56.903 56.400 -0.028 0.000 0.843 28 E CB 0.620 30.302 29.700 -0.029 0.000 0.807 28 E HN 0.237 8.558 8.360 -0.065 0.000 0.467 29 A N -1.012 121.742 122.820 -0.111 0.000 2.327 29 A HA 0.043 4.375 4.320 -0.162 -0.109 0.283 29 A C -1.656 175.743 177.584 -0.309 0.000 1.127 29 A CA -0.818 51.108 52.037 -0.185 0.000 0.810 29 A CB 1.401 20.298 19.000 -0.172 0.000 1.066 29 A HN -0.335 7.750 8.150 -0.108 0.000 0.492 30 K N 2.429 122.523 120.400 -0.510 0.000 2.266 30 K HA 0.283 4.293 4.320 -0.517 0.000 0.274 30 K C -1.883 174.415 176.600 -0.504 0.000 1.090 30 K CA -1.482 54.405 56.287 -0.667 0.000 0.925 30 K CB -0.119 31.529 32.500 -1.420 0.000 1.225 30 K HN 0.137 7.967 8.250 -0.521 0.107 0.458 31 I N 5.709 125.996 120.570 -0.472 0.000 2.439 31 I HA 0.441 4.593 4.170 -0.404 -0.224 0.285 31 I C -0.791 174.979 176.117 -0.580 0.000 1.021 31 I CA -1.302 59.680 61.300 -0.530 0.000 1.091 31 I CB 2.717 40.304 38.000 -0.689 0.000 1.242 31 I HN 0.007 7.944 8.210 -0.455 0.000 0.439 32 K N 8.617 128.799 120.400 -0.364 0.000 2.150 32 K HA 0.128 4.316 4.320 -0.220 0.000 0.261 32 K C -0.978 175.541 176.600 -0.135 0.000 1.127 32 K CA -1.379 54.774 56.287 -0.224 0.000 0.989 32 K CB -0.810 31.619 32.500 -0.117 0.000 1.475 32 K HN -0.164 7.913 8.250 -0.288 0.000 0.391 33 F N 2.638 122.581 119.950 -0.011 0.000 2.586 33 F HA -0.014 4.766 4.527 0.057 -0.218 0.335 33 F C 1.261 177.041 175.800 -0.034 0.000 1.210 33 F CA 0.632 58.649 58.000 0.029 0.000 1.359 33 F CB 0.581 39.626 39.000 0.075 0.000 1.142 33 F HN -0.665 7.460 8.300 -0.292 0.000 0.606 34 V N 0.419 120.424 119.914 0.151 0.000 2.834 34 V HA 0.062 4.102 4.120 -0.135 0.000 0.313 34 V C -0.477 175.332 176.094 -0.474 0.000 1.060 34 V CA -1.342 60.831 62.300 -0.212 0.000 0.989 34 V CB 1.620 33.236 31.823 -0.344 0.000 1.041 34 V HN -0.198 8.194 8.190 0.337 0.000 0.459 35 E N 1.930 121.860 120.200 -0.450 0.000 2.458 35 E HA -0.219 3.985 4.350 -0.244 0.000 0.264 35 E C 1.005 177.224 176.600 -0.635 0.000 1.097 35 E CA 1.058 57.216 56.400 -0.404 0.000 0.973 35 E CB 0.699 30.203 29.700 -0.327 0.000 0.963 35 E HN 0.118 8.252 8.360 -0.376 0.000 0.451 36 R N -0.307 120.024 120.500 -0.282 0.000 2.066 36 R HA -0.290 4.108 4.340 0.098 0.000 0.232 36 R C 0.843 177.099 176.300 -0.073 0.000 1.131 36 R CA 3.639 59.694 56.100 -0.074 0.000 0.955 36 R CB 0.175 30.503 30.300 0.046 0.000 0.851 36 R HN 0.443 8.612 8.270 -0.168 0.000 0.432 37 E N -4.024 116.119 120.200 -0.095 0.000 2.365 37 E HA -0.101 4.278 4.350 0.050 0.000 0.188 37 E C -0.813 175.780 176.600 -0.011 0.000 1.102 37 E CA 0.496 56.889 56.400 -0.011 0.000 0.927 37 E CB -1.843 27.864 29.700 0.011 0.000 1.073 37 E HN 0.416 8.707 8.360 -0.115 0.000 0.467 38 N N -1.633 116.909 118.700 -0.264 0.000 2.160 38 N HA 0.075 4.729 4.740 -0.142 0.000 0.226 38 N C -0.591 174.489 175.510 -0.716 0.000 1.256 38 N CA 0.331 53.121 53.050 -0.433 0.000 0.890 38 N CB 1.278 39.453 38.487 -0.519 0.000 1.116 38 N HN -0.601 7.312 8.380 -0.422 0.214 0.517 39 F N -0.906 118.872 119.950 -0.287 0.000 2.773 39 F HA 0.010 4.381 4.527 -0.260 0.000 0.304 39 F C -0.257 175.423 175.800 -0.200 0.000 1.129 39 F CA -0.553 57.300 58.000 -0.244 0.000 1.378 39 F CB -0.131 38.773 39.000 -0.160 0.000 1.095 39 F HN -0.786 7.403 8.300 -0.185 0.000 0.565 40 H N -2.845 116.329 119.070 0.173 0.000 3.094 40 H HA -0.207 4.421 4.556 0.118 0.000 0.320 40 H C 0.136 175.556 175.328 0.153 0.000 1.000 40 H CA -1.013 55.130 56.048 0.157 0.000 1.413 40 H CB -0.544 29.337 29.762 0.198 0.000 1.405 40 H HN -0.753 7.160 8.280 -0.443 0.101 0.586 41 I N 4.169 124.896 120.570 0.262 0.000 2.587 41 I HA -0.162 4.090 4.170 0.138 0.000 0.284 41 I C 0.222 176.487 176.117 0.248 0.000 1.134 41 I CA 0.709 62.134 61.300 0.209 0.000 1.410 41 I CB -0.474 37.662 38.000 0.226 0.000 1.392 41 I HN -0.129 8.228 8.210 0.245 0.000 0.545 42 T N 9.878 124.536 114.554 0.173 0.000 2.750 42 T HA -0.103 4.436 4.350 0.314 0.000 0.286 42 T C -0.476 174.367 174.700 0.238 0.000 0.911 42 T CA 1.944 64.165 62.100 0.201 0.000 1.130 42 T CB -0.763 68.143 68.868 0.063 0.000 0.873 42 T HN 0.624 8.906 8.240 0.070 0.000 0.536 43 L N 6.223 127.597 121.223 0.251 0.000 2.023 43 L HA -0.102 4.408 4.340 0.284 0.000 0.205 43 L C -0.069 176.917 176.870 0.193 0.000 1.073 43 L CA 2.160 57.123 54.840 0.205 0.000 0.745 43 L CB 0.712 42.820 42.059 0.082 0.000 0.900 43 L HN 0.105 8.489 8.230 0.256 0.000 0.435 44 K N -3.907 116.598 120.400 0.174 0.000 2.565 44 K HA 0.093 4.540 4.320 0.212 0.000 0.249 44 K C -2.359 174.382 176.600 0.235 0.000 0.958 44 K CA -1.014 55.369 56.287 0.160 0.000 0.806 44 K CB 1.148 33.657 32.500 0.015 0.000 1.194 44 K HN -0.800 7.563 8.250 0.188 0.000 0.434 45 F N 6.742 126.771 119.950 0.132 0.000 2.438 45 F HA -0.058 4.594 4.527 0.208 0.000 0.356 45 F C -1.426 174.470 175.800 0.159 0.000 1.099 45 F CA 0.717 58.809 58.000 0.153 0.000 1.185 45 F CB 1.092 40.160 39.000 0.113 0.000 1.115 45 F HN 0.429 8.965 8.300 0.394 0.000 0.526 46 L N 5.599 126.567 121.223 -0.425 0.000 2.433 46 L HA 0.123 4.506 4.340 0.072 0.000 0.200 46 L C 0.235 176.950 176.870 -0.257 0.000 1.059 46 L CA 0.016 54.761 54.840 -0.159 0.000 0.835 46 L CB 1.257 43.261 42.059 -0.092 0.000 1.076 46 L HN -0.310 7.553 8.230 -0.612 0.000 0.481 47 G N -2.744 105.613 108.800 -0.739 0.000 2.498 47 G HA2 -0.400 3.249 3.960 -0.518 0.000 0.251 47 G HA3 -0.400 3.427 3.960 -0.222 0.000 0.251 47 G C -1.494 173.337 174.900 -0.116 0.000 1.170 47 G CA -0.300 44.540 45.100 -0.435 0.000 0.944 47 G HN -0.399 7.340 8.290 -0.919 0.000 0.567 48 E N 2.408 122.582 120.200 -0.043 0.000 2.392 48 E HA -0.083 4.371 4.350 -0.027 -0.120 0.264 48 E C -0.509 176.065 176.600 -0.044 0.000 1.024 48 E CA 0.944 57.321 56.400 -0.039 0.000 0.903 48 E CB 0.259 29.934 29.700 -0.042 0.000 0.963 48 E HN 0.065 8.416 8.360 -0.015 0.000 0.432 49 I N 1.128 121.687 120.570 -0.018 0.000 2.984 49 I HA 0.201 4.364 4.170 -0.012 0.000 0.303 49 I C -1.474 174.645 176.117 0.003 0.000 1.381 49 I CA -1.580 59.732 61.300 0.021 0.000 0.988 49 I CB 3.207 41.274 38.000 0.113 0.000 1.307 49 I HN 0.004 8.201 8.210 -0.021 0.000 0.460 50 T N -1.640 112.923 114.554 0.014 0.000 2.907 50 T HA 0.181 4.527 4.350 -0.007 0.000 0.284 50 T C 0.804 175.510 174.700 0.009 0.000 1.004 50 T CA -1.755 60.347 62.100 0.003 0.000 1.063 50 T CB 2.196 71.063 68.868 -0.001 0.000 0.992 50 T HN -0.208 8.053 8.240 0.036 0.000 0.483 51 E N 3.669 123.869 120.200 -0.001 0.000 2.273 51 E HA -0.368 3.977 4.350 -0.009 0.000 0.198 51 E C 1.139 177.740 176.600 0.001 0.000 1.002 51 E CA 3.311 59.708 56.400 -0.005 0.000 0.828 51 E CB -0.480 29.214 29.700 -0.010 0.000 0.747 51 E HN 0.622 8.979 8.360 -0.006 0.000 0.491 52 E N -3.488 116.716 120.200 0.008 0.000 2.122 52 E HA -0.158 4.196 4.350 0.007 0.000 0.190 52 E C 2.017 178.632 176.600 0.025 0.000 0.977 52 E CA 2.232 58.639 56.400 0.012 0.000 0.820 52 E CB -0.169 29.538 29.700 0.011 0.000 0.770 52 E HN 0.045 8.361 8.360 0.007 0.047 0.462 53 Q N -0.544 119.280 119.800 0.041 0.000 2.187 53 Q HA -0.076 4.507 4.340 0.067 -0.203 0.199 53 Q C 2.316 178.351 176.000 0.058 0.000 0.957 53 Q CA 1.751 57.598 55.803 0.073 0.000 0.857 53 Q CB 0.231 29.051 28.738 0.136 0.000 0.929 53 Q HN -0.560 7.637 8.270 0.037 0.095 0.453 54 A N -1.348 121.495 122.820 0.038 0.000 2.009 54 A HA -0.390 3.940 4.320 0.016 0.000 0.222 54 A C 1.454 179.042 177.584 0.006 0.000 1.175 54 A CA 3.309 55.354 52.037 0.013 0.000 0.651 54 A CB -0.716 18.279 19.000 -0.008 0.000 0.815 54 A HN 0.506 8.677 8.150 0.035 0.000 0.459 55 E N -3.106 117.100 120.200 0.010 0.000 2.112 55 E HA -0.288 4.066 4.350 0.008 0.000 0.190 55 E C 1.960 178.571 176.600 0.018 0.000 0.979 55 E CA 2.538 58.945 56.400 0.011 0.000 0.814 55 E CB -0.551 29.154 29.700 0.007 0.000 0.762 55 E HN -0.520 7.820 8.360 0.013 0.027 0.460 56 E N 0.028 120.238 120.200 0.017 0.000 2.033 56 E HA -0.316 4.041 4.350 0.011 0.000 0.199 56 E C 2.402 178.994 176.600 -0.015 0.000 1.011 56 E CA 2.788 59.194 56.400 0.009 0.000 0.815 56 E CB -0.753 28.961 29.700 0.023 0.000 0.755 56 E HN -0.307 7.964 8.360 0.024 0.104 0.451 57 I N -1.262 119.285 120.570 -0.040 0.000 2.145 57 I HA -0.634 3.450 4.170 -0.143 0.000 0.244 57 I C 1.849 177.952 176.117 -0.024 0.000 1.075 57 I CA 4.309 65.558 61.300 -0.086 0.000 1.332 57 I CB -0.453 37.479 38.000 -0.113 0.000 1.033 57 I HN -0.469 7.726 8.210 -0.025 0.000 0.410 58 K N -0.800 119.633 120.400 0.054 0.000 2.001 58 K HA -0.490 4.033 4.320 0.340 0.000 0.214 58 K C 2.272 178.941 176.600 0.114 0.000 1.050 58 K CA 3.612 60.013 56.287 0.190 0.000 0.934 58 K CB -0.445 32.164 32.500 0.182 0.000 0.718 58 K HN -0.783 7.486 8.250 0.038 0.004 0.443 59 K N -1.067 119.368 120.400 0.060 0.000 2.034 59 K HA -0.345 4.006 4.320 0.052 0.000 0.214 59 K C 2.625 179.214 176.600 -0.018 0.000 1.051 59 K CA 2.959 59.263 56.287 0.028 0.000 0.931 59 K CB -0.576 31.932 32.500 0.014 0.000 0.715 59 K HN -0.654 7.627 8.250 0.051 0.000 0.446 60 I N -1.079 119.465 120.570 -0.044 0.000 2.151 60 I HA -0.560 3.577 4.170 -0.055 0.000 0.243 60 I C 1.720 177.766 176.117 -0.119 0.000 1.080 60 I CA 3.790 65.046 61.300 -0.074 0.000 1.339 60 I CB -0.242 37.702 38.000 -0.094 0.000 1.039 60 I HN -0.652 7.536 8.210 -0.037 0.000 0.409 61 L N -1.632 119.482 121.223 -0.182 0.000 2.012 61 L HA -0.524 3.637 4.340 -0.298 0.000 0.210 61 L C 2.318 178.958 176.870 -0.383 0.000 1.073 61 L CA 3.315 57.941 54.840 -0.356 0.000 0.748 61 L CB -0.725 40.974 42.059 -0.601 0.000 0.891 61 L HN -0.357 7.719 8.230 -0.140 0.070 0.431 62 E N -0.355 119.678 120.200 -0.279 0.000 2.171 62 E HA -0.314 3.918 4.350 -0.197 0.000 0.197 62 E C 1.617 178.165 176.600 -0.085 0.000 0.997 62 E CA 2.797 59.116 56.400 -0.134 0.000 0.810 62 E CB -0.310 29.413 29.700 0.039 0.000 0.738 62 E HN -0.017 8.234 8.360 -0.182 0.000 0.467 63 K N -2.657 117.700 120.400 -0.072 0.000 2.020 63 K HA -0.138 4.166 4.320 -0.026 0.000 0.206 63 K C 2.351 178.938 176.600 -0.022 0.000 1.038 63 K CA 2.301 58.566 56.287 -0.037 0.000 0.947 63 K CB 0.595 33.079 32.500 -0.027 0.000 0.744 63 K HN -0.667 7.400 8.250 -0.084 0.132 0.442 64 I N -0.013 120.543 120.570 -0.023 0.000 2.068 64 I HA -0.577 3.682 4.170 0.148 0.000 0.238 64 I C 1.720 177.897 176.117 0.101 0.000 1.046 64 I CA 3.910 65.247 61.300 0.062 0.000 1.306 64 I CB -0.337 37.649 38.000 -0.023 0.000 1.023 64 I HN 0.386 8.562 8.210 -0.057 0.000 0.399 65 A N -4.420 118.365 122.820 -0.058 0.000 2.186 65 A HA -0.335 3.967 4.320 -0.031 0.000 0.219 65 A C 0.355 177.941 177.584 0.003 0.000 1.159 65 A CA 2.372 54.371 52.037 -0.063 0.000 0.680 65 A CB -0.671 18.208 19.000 -0.202 0.000 0.787 65 A HN -0.010 8.050 8.150 -0.150 0.000 0.467 66 K N -3.776 116.627 120.400 0.004 0.000 2.334 66 K HA -0.000 4.323 4.320 0.006 0.000 0.195 66 K C 1.223 177.829 176.600 0.009 0.000 1.045 66 K CA 0.973 57.262 56.287 0.005 0.000 1.004 66 K CB 0.432 32.926 32.500 -0.011 0.000 0.837 66 K HN -0.287 7.731 8.250 -0.008 0.228 0.510 67 K N -1.600 118.815 120.400 0.024 0.000 2.356 67 K HA -0.083 4.190 4.320 -0.078 0.000 0.195 67 K C 0.515 177.019 176.600 -0.160 0.000 1.037 67 K CA 1.362 57.608 56.287 -0.069 0.000 1.014 67 K CB 1.047 33.484 32.500 -0.104 0.000 0.815 67 K HN -0.275 7.876 8.250 0.071 0.141 0.507 68 Y N 0.038 120.311 120.300 -0.046 0.000 2.519 68 Y HA 0.062 4.591 4.550 -0.035 0.000 0.324 68 Y C -0.784 175.102 175.900 -0.022 0.000 1.214 68 Y CA -0.433 57.645 58.100 -0.038 0.000 1.260 68 Y CB 1.859 40.291 38.460 -0.047 0.000 1.311 68 Y HN -0.609 7.772 8.280 0.236 0.040 0.505 69 K N -0.767 119.733 120.400 0.168 0.000 2.380 69 K HA 0.206 4.572 4.320 0.078 0.000 0.243 69 K C -0.469 176.203 176.600 0.119 0.000 1.071 69 K CA -1.248 55.101 56.287 0.104 0.000 0.942 69 K CB 1.246 33.788 32.500 0.070 0.000 1.324 69 K HN -0.039 8.342 8.250 0.219 0.000 0.517 70 K N 1.038 121.497 120.400 0.098 0.000 2.354 70 K HA 0.213 4.728 4.320 0.103 -0.133 0.257 70 K C -0.877 175.794 176.600 0.119 0.000 1.062 70 K CA -0.761 55.585 56.287 0.098 0.000 0.971 70 K CB -0.622 31.920 32.500 0.070 0.000 1.305 70 K HN 0.260 8.558 8.250 0.081 0.000 0.449 71 H N 5.305 124.390 119.070 0.025 0.000 2.508 71 H HA 0.048 4.610 4.556 0.010 0.000 0.358 71 H C -1.559 173.754 175.328 -0.025 0.000 1.212 71 H CA -0.595 55.456 56.048 0.005 0.000 1.356 71 H CB 2.245 32.011 29.762 0.006 0.000 1.525 71 H HN 0.405 8.807 8.280 0.203 0.000 0.578 72 E N 5.146 124.833 120.200 -0.855 0.000 2.063 72 E HA 0.233 4.509 4.350 -0.391 -0.160 0.265 72 E C -0.881 175.263 176.600 -0.761 0.000 0.919 72 E CA -1.345 54.688 56.400 -0.612 0.000 0.756 72 E CB 0.589 30.086 29.700 -0.338 0.000 1.120 72 E HN 0.198 7.795 8.360 -1.272 0.000 0.414 73 V N 1.199 120.789 119.914 -0.541 0.000 3.267 73 V HA 0.398 4.372 4.120 -0.244 0.000 0.317 73 V C -2.435 173.455 176.094 -0.340 0.000 1.131 73 V CA -3.014 59.078 62.300 -0.347 0.000 1.031 73 V CB 3.313 35.007 31.823 -0.215 0.000 1.159 73 V HN -0.185 7.680 8.190 -0.541 0.000 0.454 74 N N -0.561 118.028 118.700 -0.184 0.000 2.242 74 N HA 0.148 4.897 4.740 -0.124 -0.083 0.292 74 N C -2.033 173.481 175.510 0.006 0.000 1.125 74 N CA -0.572 52.423 53.050 -0.092 0.000 0.783 74 N CB 3.604 42.072 38.487 -0.032 0.000 1.558 74 N HN 0.064 8.377 8.380 -0.111 0.000 0.472 75 V N 2.827 122.809 119.914 0.114 0.000 2.328 75 V HA 0.220 4.444 4.120 0.172 0.000 0.278 75 V C -2.574 173.707 176.094 0.312 0.000 1.021 75 V CA -1.744 60.687 62.300 0.218 0.000 0.838 75 V CB 1.629 33.617 31.823 0.276 0.000 0.999 75 V HN 0.773 9.045 8.190 0.136 0.000 0.447 76 R N 9.399 130.047 120.500 0.247 0.000 2.663 76 R HA 0.256 4.730 4.340 0.223 0.000 0.267 76 R C -1.818 174.566 176.300 0.139 0.000 1.038 76 R CA -1.513 54.687 56.100 0.167 0.000 0.886 76 R CB 3.508 33.814 30.300 0.010 0.000 1.249 76 R HN -0.514 7.872 8.270 0.192 0.000 0.463 77 G N 2.944 111.790 108.800 0.078 0.000 2.879 77 G HA2 -0.258 3.920 3.960 -0.022 0.000 0.686 77 G HA3 -0.258 3.720 3.960 0.031 0.000 0.686 77 G C -2.591 172.351 174.900 0.070 0.000 1.115 77 G CA -0.364 44.760 45.100 0.040 0.000 0.770 77 G HN 0.210 8.486 8.290 -0.023 0.000 0.601 78 I N 1.738 122.275 120.570 -0.056 0.000 2.533 78 I HA 0.136 4.213 4.170 -0.155 0.000 0.290 78 I C -0.855 174.955 176.117 -0.512 0.000 1.056 78 I CA -1.088 60.092 61.300 -0.200 0.000 1.057 78 I CB 3.630 41.559 38.000 -0.119 0.000 1.240 78 I HN 0.120 8.278 8.210 -0.086 0.000 0.423 79 G N 5.336 113.453 108.800 -1.138 0.000 2.473 79 G HA2 0.523 3.904 3.960 -0.965 0.000 0.321 79 G HA3 0.523 3.033 3.960 -2.416 0.000 0.321 79 G C -2.774 170.734 174.900 -2.321 0.000 1.200 79 G CA -1.582 42.444 45.100 -1.789 0.000 0.963 79 G HN 0.440 8.030 8.290 -1.166 0.000 0.483 80 V N -3.774 115.358 119.914 -1.303 0.000 3.074 80 V HA 0.929 4.666 4.120 -0.868 -0.137 0.314 80 V C -2.092 173.808 176.094 -0.323 0.000 1.117 80 V CA -4.002 57.865 62.300 -0.722 0.000 1.014 80 V CB 3.309 34.919 31.823 -0.355 0.000 1.057 80 V HN -0.149 7.489 8.190 -0.920 0.000 0.438 81 F N -0.994 119.152 119.950 0.328 0.000 2.613 81 F HA 0.474 5.205 4.527 0.247 -0.056 0.310 81 F C -2.098 173.815 175.800 0.188 0.000 1.085 81 F CA -2.647 55.529 58.000 0.294 0.000 0.945 81 F CB 2.478 41.673 39.000 0.325 0.000 1.298 81 F HN -0.523 7.939 8.300 0.270 0.000 0.455 82 P HA -0.024 4.715 4.420 0.531 0.000 0.221 82 P C -1.428 176.151 177.300 0.466 0.000 1.150 82 P CA 1.157 64.525 63.100 0.447 0.000 0.800 82 P CB 0.327 32.166 31.700 0.231 0.000 0.787 83 N N -4.075 114.807 118.700 0.302 0.000 2.710 83 N HA 0.296 5.137 4.740 0.169 0.000 0.257 83 N C -2.330 173.245 175.510 0.108 0.000 1.327 83 N CA -2.033 51.128 53.050 0.186 0.000 0.861 83 N CB 0.255 38.839 38.487 0.161 0.000 1.532 83 N HN -0.747 7.778 8.380 0.295 0.032 0.499 84 P HA -0.299 4.092 4.420 -0.049 0.000 0.213 84 P C 0.652 177.971 177.300 0.031 0.000 1.176 84 P CA 2.741 65.838 63.100 -0.005 0.000 0.919 84 P CB 0.260 31.948 31.700 -0.019 0.000 0.791 85 N N -5.045 113.693 118.700 0.063 0.000 2.182 85 N HA -0.278 4.497 4.740 0.059 0.000 0.192 85 N C 0.070 175.675 175.510 0.159 0.000 1.007 85 N CA 2.168 55.273 53.050 0.091 0.000 0.873 85 N CB -0.115 38.430 38.487 0.097 0.000 0.998 85 N HN 0.274 8.689 8.380 0.058 0.000 0.436 86 Y N -0.502 119.812 120.300 0.023 0.000 2.681 86 Y HA 0.078 4.641 4.550 0.022 0.000 0.347 86 Y C -2.059 173.865 175.900 0.041 0.000 1.029 86 Y CA -0.820 57.299 58.100 0.031 0.000 1.279 86 Y CB 0.997 39.481 38.460 0.040 0.000 1.096 86 Y HN -0.598 7.669 8.280 0.207 0.137 0.580 87 V N 6.251 126.074 119.914 -0.152 0.000 2.461 87 V HA -0.054 4.178 4.120 0.001 -0.111 0.275 87 V C -0.360 175.628 176.094 -0.176 0.000 1.047 87 V CA 0.959 63.194 62.300 -0.107 0.000 0.955 87 V CB 0.446 32.199 31.823 -0.117 0.000 0.988 87 V HN 0.533 8.604 8.190 -0.197 0.000 0.471 88 R N 5.649 126.137 120.500 -0.020 0.000 2.412 88 R HA 0.266 4.546 4.340 -0.101 0.000 0.212 88 R C -1.151 175.183 176.300 0.056 0.000 0.878 88 R CA -0.682 55.416 56.100 -0.004 0.000 1.022 88 R CB 3.193 33.554 30.300 0.103 0.000 1.265 88 R HN 0.854 9.175 8.270 0.084 0.000 0.620 89 V N 0.393 120.393 119.914 0.142 0.000 2.524 89 V HA 0.314 4.513 4.120 0.132 0.000 0.297 89 V C -1.808 174.440 176.094 0.257 0.000 1.035 89 V CA -0.950 61.475 62.300 0.209 0.000 0.867 89 V CB 1.914 33.908 31.823 0.285 0.000 1.004 89 V HN -0.541 7.755 8.190 0.178 0.000 0.426 90 I N 6.737 127.397 120.570 0.150 0.000 2.395 90 I HA 0.076 4.157 4.170 -0.148 0.000 0.289 90 I C -0.883 175.352 176.117 0.196 0.000 1.023 90 I CA 0.102 61.427 61.300 0.043 0.000 1.350 90 I CB 1.155 39.181 38.000 0.043 0.000 1.409 90 I HN 0.628 8.910 8.210 0.120 0.000 0.507 91 W N 3.384 124.702 121.300 0.030 0.000 3.256 91 W HA 0.573 5.448 4.660 0.091 -0.161 0.324 91 W C -3.091 173.445 176.519 0.027 0.000 1.196 91 W CA -2.419 54.963 57.345 0.062 0.000 1.206 91 W CB 2.062 31.585 29.460 0.105 0.000 1.385 91 W HN 0.245 8.043 8.180 -0.636 0.000 0.522 92 A N -0.435 122.528 122.820 0.240 0.000 2.264 92 A HA 0.219 4.540 4.320 0.002 0.000 0.304 92 A C -1.428 176.340 177.584 0.307 0.000 1.100 92 A CA -1.449 50.662 52.037 0.123 0.000 0.839 92 A CB 1.704 20.686 19.000 -0.030 0.000 1.121 92 A HN 0.824 9.022 8.150 0.275 0.117 0.496 93 G N -2.454 106.481 108.800 0.225 0.000 2.495 93 G HA2 0.743 4.907 3.960 0.339 0.000 0.318 93 G HA3 0.743 4.856 3.960 0.254 0.000 0.318 93 G C -2.377 172.639 174.900 0.193 0.000 1.257 93 G CA -0.998 44.260 45.100 0.263 0.000 0.962 93 G HN 0.592 8.889 8.290 0.164 0.091 0.483 94 V N 1.811 121.829 119.914 0.174 0.000 2.617 94 V HA 0.063 4.272 4.120 0.148 0.000 0.298 94 V C -0.017 176.146 176.094 0.115 0.000 1.048 94 V CA -1.565 60.821 62.300 0.142 0.000 0.964 94 V CB 1.203 33.110 31.823 0.140 0.000 1.004 94 V HN -0.432 7.867 8.190 0.181 0.000 0.466 95 E N 4.363 124.616 120.200 0.088 0.000 2.605 95 E HA -0.109 4.285 4.350 0.074 0.000 0.255 95 E C -0.254 176.394 176.600 0.079 0.000 1.369 95 E CA -0.647 55.795 56.400 0.070 0.000 1.017 95 E CB 0.681 30.407 29.700 0.045 0.000 1.086 95 E HN 0.338 8.746 8.360 0.080 0.000 0.605 96 N N 1.054 119.801 118.700 0.078 0.000 2.111 96 N HA -0.330 4.461 4.740 0.085 0.000 0.281 96 N C -1.356 174.225 175.510 0.120 0.000 1.384 96 N CA 1.247 54.352 53.050 0.092 0.000 0.994 96 N CB -0.437 38.105 38.487 0.091 0.000 1.411 96 N HN 0.210 8.629 8.380 0.066 0.000 0.485 97 D N 2.672 123.145 120.400 0.123 0.000 2.755 97 D HA 0.016 4.748 4.640 0.153 0.000 0.257 97 D C 0.346 176.726 176.300 0.134 0.000 1.291 97 D CA -1.202 52.886 54.000 0.146 0.000 0.836 97 D CB 0.322 41.230 40.800 0.180 0.000 1.059 97 D HN 0.084 8.526 8.370 0.121 0.000 0.486 98 E N -0.576 119.671 120.200 0.079 0.000 2.048 98 E HA -0.386 4.015 4.350 0.086 0.000 0.202 98 E C 1.612 178.228 176.600 0.028 0.000 1.021 98 E CA 2.880 59.309 56.400 0.049 0.000 0.825 98 E CB -0.777 28.922 29.700 -0.002 0.000 0.756 98 E HN 0.280 8.605 8.360 0.065 0.074 0.454 99 I N 0.166 120.731 120.570 -0.008 0.000 2.145 99 I HA -0.353 3.851 4.170 0.056 0.000 0.244 99 I C 2.389 178.476 176.117 -0.051 0.000 1.075 99 I CA 2.330 63.636 61.300 0.011 0.000 1.332 99 I CB -1.066 36.949 38.000 0.026 0.000 1.033 99 I HN 0.018 8.193 8.210 -0.058 0.000 0.410 100 I N -3.850 116.709 120.570 -0.018 0.000 2.830 100 I HA -0.369 3.694 4.170 -0.178 0.000 0.263 100 I C 1.831 177.793 176.117 -0.257 0.000 1.230 100 I CA 2.884 64.132 61.300 -0.088 0.000 1.480 100 I CB -0.694 37.351 38.000 0.075 0.000 1.095 100 I HN -0.701 7.461 8.210 0.052 0.079 0.455 101 K N 1.838 122.178 120.400 -0.100 0.000 2.029 101 K HA -0.199 3.812 4.320 -0.515 0.000 0.205 101 K C 1.529 177.978 176.600 -0.251 0.000 1.042 101 K CA 3.140 59.348 56.287 -0.131 0.000 0.949 101 K CB 0.109 32.741 32.500 0.219 0.000 0.740 101 K HN 0.072 8.124 8.250 0.011 0.204 0.442 102 K N -1.784 118.558 120.400 -0.096 0.000 2.211 102 K HA -0.261 4.049 4.320 -0.016 0.000 0.204 102 K C 2.791 179.305 176.600 -0.144 0.000 1.047 102 K CA 2.932 59.198 56.287 -0.035 0.000 0.935 102 K CB -0.580 31.985 32.500 0.110 0.000 0.728 102 K HN -0.083 8.148 8.250 -0.033 0.000 0.452 103 I N 0.005 120.330 120.570 -0.408 0.000 2.193 103 I HA -0.363 3.346 4.170 -0.769 0.000 0.240 103 I C 1.330 177.169 176.117 -0.464 0.000 1.084 103 I CA 3.328 64.222 61.300 -0.676 0.000 1.365 103 I CB -0.128 37.330 38.000 -0.903 0.000 1.064 103 I HN -0.627 7.326 8.210 -0.380 0.029 0.410 104 A N -0.861 121.609 122.820 -0.584 0.000 1.948 104 A HA -0.401 3.671 4.320 -0.413 0.000 0.220 104 A C 1.927 179.317 177.584 -0.323 0.000 1.177 104 A CA 3.439 55.125 52.037 -0.584 0.000 0.636 104 A CB -1.067 17.120 19.000 -1.355 0.000 0.815 104 A HN -0.472 7.258 8.150 -0.700 0.000 0.449 105 K N -1.942 118.298 120.400 -0.266 0.000 2.103 105 K HA -0.226 4.064 4.320 -0.049 0.000 0.204 105 K C 1.769 178.328 176.600 -0.068 0.000 1.052 105 K CA 2.769 58.998 56.287 -0.096 0.000 0.945 105 K CB -0.150 32.327 32.500 -0.039 0.000 0.722 105 K HN -0.374 7.656 8.250 -0.343 0.014 0.443 106 E N 0.211 120.362 120.200 -0.081 0.000 2.077 106 E HA -0.216 4.131 4.350 -0.004 0.000 0.193 106 E C 2.654 179.217 176.600 -0.061 0.000 0.989 106 E CA 2.697 59.079 56.400 -0.031 0.000 0.800 106 E CB -0.542 29.184 29.700 0.044 0.000 0.746 106 E HN -0.629 7.567 8.360 -0.125 0.089 0.452 107 I N -1.489 119.010 120.570 -0.118 0.000 2.286 107 I HA -0.503 3.596 4.170 -0.119 0.000 0.248 107 I C 1.802 177.848 176.117 -0.118 0.000 1.115 107 I CA 4.110 65.331 61.300 -0.131 0.000 1.392 107 I CB -0.277 37.623 38.000 -0.167 0.000 1.065 107 I HN 0.238 8.350 8.210 -0.164 0.000 0.418 108 D N 0.287 120.635 120.400 -0.087 0.000 2.085 108 D HA -0.295 4.293 4.640 -0.088 0.000 0.199 108 D C 1.633 177.920 176.300 -0.022 0.000 0.981 108 D CA 2.862 56.832 54.000 -0.050 0.000 0.834 108 D CB 0.037 40.842 40.800 0.008 0.000 0.992 108 D HN -0.821 7.486 8.370 -0.089 0.010 0.457 109 D N -0.185 120.210 120.400 -0.009 0.000 2.200 109 D HA -0.383 4.271 4.640 0.023 0.000 0.192 109 D C 1.895 178.197 176.300 0.004 0.000 1.008 109 D CA 3.169 57.173 54.000 0.007 0.000 0.872 109 D CB 0.091 40.895 40.800 0.005 0.000 0.923 109 D HN -0.009 8.351 8.370 -0.016 0.000 0.447 110 E N -2.146 118.042 120.200 -0.020 0.000 2.076 110 E HA -0.166 4.181 4.350 -0.005 0.000 0.190 110 E C 2.754 179.340 176.600 -0.023 0.000 0.979 110 E CA 2.019 58.406 56.400 -0.022 0.000 0.807 110 E CB -0.212 29.463 29.700 -0.042 0.000 0.761 110 E HN -0.577 7.748 8.360 -0.035 0.014 0.454 111 L N -0.464 120.713 121.223 -0.077 0.000 2.187 111 L HA -0.401 3.842 4.340 -0.161 0.000 0.213 111 L C 2.171 179.126 176.870 0.141 0.000 1.100 111 L CA 2.466 57.232 54.840 -0.124 0.000 0.765 111 L CB -0.809 40.995 42.059 -0.426 0.000 0.904 111 L HN -0.655 7.433 8.230 -0.101 0.081 0.437 112 A N -1.532 121.355 122.820 0.111 0.000 1.986 112 A HA -0.233 4.415 4.320 0.183 -0.218 0.220 112 A C 2.070 179.729 177.584 0.125 0.000 1.171 112 A CA 2.601 54.718 52.037 0.135 0.000 0.640 112 A CB -0.627 18.421 19.000 0.081 0.000 0.811 112 A HN -0.062 7.978 8.150 0.054 0.142 0.451 113 K N -2.104 118.355 120.400 0.098 0.000 2.031 113 K HA -0.171 4.188 4.320 0.065 0.000 0.205 113 K C 1.827 178.493 176.600 0.110 0.000 1.049 113 K CA 2.079 58.414 56.287 0.080 0.000 0.939 113 K CB 0.053 32.584 32.500 0.051 0.000 0.717 113 K HN -0.448 7.719 8.250 0.077 0.129 0.438 114 L N -3.375 117.948 121.223 0.167 0.000 2.549 114 L HA -0.153 4.270 4.340 0.139 0.000 0.230 114 L C 0.951 177.957 176.870 0.228 0.000 1.162 114 L CA 0.883 55.856 54.840 0.223 0.000 0.834 114 L CB 0.034 42.274 42.059 0.302 0.000 0.947 114 L HN -0.660 7.661 8.230 0.151 0.000 0.452 115 G N -2.316 106.608 108.800 0.205 0.000 2.754 115 G HA2 -0.317 3.658 3.960 0.025 0.000 0.215 115 G HA3 -0.317 3.598 3.960 -0.075 0.000 0.215 115 G C -1.573 173.236 174.900 -0.152 0.000 1.121 115 G CA -0.326 44.783 45.100 0.015 0.000 0.954 115 G HN -0.551 7.670 8.290 0.231 0.208 0.511 116 F N -2.066 117.891 119.950 0.013 0.000 2.640 116 F HA 0.306 4.846 4.527 0.021 0.000 0.324 116 F C -0.635 175.184 175.800 0.031 0.000 1.077 116 F CA -1.822 56.190 58.000 0.020 0.000 0.965 116 F CB 3.071 42.080 39.000 0.015 0.000 1.351 116 F HN -0.878 7.605 8.300 0.305 0.000 0.487 117 K N 2.241 122.787 120.400 0.244 0.000 2.185 117 K HA 0.063 4.453 4.320 0.115 0.000 0.271 117 K C -1.309 175.385 176.600 0.157 0.000 1.013 117 K CA 0.154 56.537 56.287 0.160 0.000 0.943 117 K CB 1.132 33.719 32.500 0.145 0.000 0.998 117 K HN 0.491 8.922 8.250 0.301 0.000 0.468 118 K N 4.659 125.125 120.400 0.109 0.000 2.213 118 K HA 0.109 4.905 4.320 0.096 -0.418 0.270 118 K C -0.142 176.511 176.600 0.087 0.000 1.002 118 K CA -1.285 55.056 56.287 0.091 0.000 0.868 118 K CB 0.644 33.185 32.500 0.068 0.000 1.093 118 K HN 0.224 8.529 8.250 0.092 0.000 0.454 119 E N 7.714 127.972 120.200 0.097 0.000 1.993 119 E HA 0.137 4.540 4.350 0.088 0.000 0.271 119 E C 0.035 176.692 176.600 0.096 0.000 1.008 119 E CA -0.970 55.493 56.400 0.104 0.000 0.814 119 E CB 0.403 30.193 29.700 0.149 0.000 1.098 119 E HN -0.155 8.472 8.360 0.097 -0.209 0.407 120 G N 3.811 112.654 108.800 0.071 0.000 2.545 120 G HA2 -0.324 3.672 3.960 0.060 0.000 0.217 120 G HA3 -0.324 3.666 3.960 0.049 0.000 0.217 120 G C -0.898 174.052 174.900 0.083 0.000 1.218 120 G CA 1.408 46.546 45.100 0.064 0.000 0.787 120 G HN 0.138 8.464 8.290 0.060 0.000 0.571 121 N N 0.570 119.316 118.700 0.078 0.000 2.437 121 N HA -0.115 4.691 4.740 0.109 0.000 0.259 121 N C -1.701 173.887 175.510 0.131 0.000 0.983 121 N CA -0.684 52.420 53.050 0.090 0.000 0.937 121 N CB -0.230 38.282 38.487 0.041 0.000 1.122 121 N HN -0.418 7.996 8.380 0.057 0.000 0.499 122 F N 5.966 125.933 119.950 0.029 0.000 2.404 122 F HA 0.225 4.777 4.527 0.041 0.000 0.339 122 F C -1.173 174.659 175.800 0.053 0.000 1.105 122 F CA -0.349 57.674 58.000 0.039 0.000 1.087 122 F CB 1.283 40.302 39.000 0.032 0.000 1.143 122 F HN 0.098 8.571 8.300 0.288 0.000 0.491 123 V N 6.307 125.677 119.914 -0.907 0.000 2.482 123 V HA 0.188 4.002 4.120 -0.509 0.000 0.295 123 V C -1.541 174.066 176.094 -0.810 0.000 1.026 123 V CA -0.514 61.388 62.300 -0.663 0.000 0.856 123 V CB 2.547 34.223 31.823 -0.246 0.000 1.001 123 V HN 0.259 7.973 8.190 -0.793 0.000 0.424 124 A N 9.419 131.858 122.820 -0.635 0.000 2.539 124 A HA 0.183 4.298 4.320 -0.342 0.000 0.306 124 A C -1.195 176.396 177.584 0.012 0.000 1.392 124 A CA -0.360 51.526 52.037 -0.251 0.000 1.060 124 A CB -0.347 18.690 19.000 0.061 0.000 1.134 124 A HN 0.633 8.508 8.150 -0.458 0.000 0.542 125 H N 1.395 120.432 119.070 -0.055 0.000 2.946 125 H HA 0.785 5.572 4.556 0.156 -0.138 0.365 125 H C -2.255 173.133 175.328 0.099 0.000 1.197 125 H CA -2.389 53.703 56.048 0.073 0.000 1.131 125 H CB 2.889 32.656 29.762 0.010 0.000 1.849 125 H HN -0.444 7.581 8.280 -0.425 0.000 0.555 126 I N 0.063 120.774 120.570 0.235 0.000 2.493 126 I HA 0.209 4.403 4.170 0.041 0.000 0.279 126 I C -0.454 175.822 176.117 0.266 0.000 1.045 126 I CA -0.886 60.504 61.300 0.149 0.000 1.106 126 I CB 1.441 39.498 38.000 0.094 0.000 1.216 126 I HN 0.059 8.497 8.210 0.380 0.000 0.459 127 T N 9.549 124.272 114.554 0.282 0.000 2.829 127 T HA -0.068 4.698 4.350 0.422 -0.163 0.293 127 T C 0.067 174.931 174.700 0.274 0.000 0.970 127 T CA 1.910 64.196 62.100 0.310 0.000 1.168 127 T CB -0.230 68.778 68.868 0.234 0.000 0.911 127 T HN 0.475 8.836 8.240 0.202 0.000 0.535 128 L N 4.377 125.772 121.223 0.287 0.000 2.202 128 L HA -0.056 4.593 4.340 0.514 0.000 0.205 128 L C -0.208 176.922 176.870 0.433 0.000 1.083 128 L CA 1.211 56.275 54.840 0.373 0.000 0.790 128 L CB 0.668 42.877 42.059 0.250 0.000 0.942 128 L HN 0.317 8.593 8.230 0.272 0.118 0.452 129 G N -6.644 102.322 108.800 0.277 0.000 2.355 129 G HA2 0.127 4.157 3.960 0.118 0.000 0.296 129 G HA3 0.127 4.143 3.960 0.094 0.000 0.296 129 G C -3.034 171.894 174.900 0.047 0.000 1.507 129 G CA 0.146 45.329 45.100 0.137 0.000 0.823 129 G HN -0.831 7.605 8.290 0.243 0.000 0.569 130 R N -0.557 119.932 120.500 -0.018 0.000 2.474 130 R HA 0.444 4.885 4.340 0.014 -0.094 0.295 130 R C -0.566 175.668 176.300 -0.109 0.000 0.980 130 R CA -1.081 55.004 56.100 -0.026 0.000 0.934 130 R CB 2.992 33.291 30.300 -0.002 0.000 1.101 130 R HN 0.045 8.292 8.270 -0.037 0.000 0.469 131 V N 4.301 124.152 119.914 -0.105 0.000 2.406 131 V HA 0.311 4.492 4.120 -0.236 -0.203 0.272 131 V C -0.115 175.893 176.094 -0.144 0.000 1.043 131 V CA 0.330 62.527 62.300 -0.171 0.000 0.915 131 V CB 0.298 32.016 31.823 -0.174 0.000 0.988 131 V HN 0.469 8.512 8.190 -0.059 0.112 0.466 132 K N 7.844 128.117 120.400 -0.211 0.000 2.108 132 K HA 0.038 4.349 4.320 -0.015 0.000 0.204 132 K C -0.326 176.284 176.600 0.016 0.000 1.036 132 K CA 1.217 57.442 56.287 -0.104 0.000 0.965 132 K CB 1.302 33.716 32.500 -0.143 0.000 0.804 132 K HN 0.741 8.796 8.250 -0.325 0.000 0.454 133 F N -7.004 112.905 119.950 -0.068 0.000 2.635 133 F HA 0.233 4.722 4.527 -0.064 0.000 0.314 133 F C -2.786 172.971 175.800 -0.072 0.000 1.119 133 F CA -1.602 56.361 58.000 -0.061 0.000 1.000 133 F CB 2.122 41.100 39.000 -0.037 0.000 1.278 133 F HN -0.776 7.082 8.300 -0.737 0.000 0.446 134 V N 2.543 122.520 119.914 0.105 0.000 3.007 134 V HA 0.394 4.699 4.120 0.030 -0.167 0.311 134 V C -1.576 174.560 176.094 0.071 0.000 1.120 134 V CA -2.071 60.248 62.300 0.032 0.000 0.980 134 V CB 3.995 35.775 31.823 -0.072 0.000 1.033 134 V HN 0.089 8.349 8.190 0.117 0.000 0.429 135 K N 4.357 124.788 120.400 0.052 0.000 2.306 135 K HA 0.143 4.491 4.320 0.046 0.000 0.200 135 K C -0.651 175.957 176.600 0.013 0.000 1.083 135 K CA 0.357 56.668 56.287 0.041 0.000 0.959 135 K CB 0.953 33.481 32.500 0.045 0.000 0.994 135 K HN 0.294 8.566 8.250 0.036 0.000 0.492 136 D N -0.294 120.105 120.400 -0.002 0.000 2.325 136 D HA -0.063 4.574 4.640 -0.005 0.000 0.251 136 D C 0.189 176.476 176.300 -0.022 0.000 1.196 136 D CA 0.010 54.002 54.000 -0.013 0.000 0.866 136 D CB 0.523 41.310 40.800 -0.022 0.000 1.101 136 D HN -0.226 8.142 8.370 -0.004 0.000 0.476 137 K N 6.387 126.779 120.400 -0.014 0.000 2.029 137 K HA -0.093 4.211 4.320 -0.027 0.000 0.205 137 K C 1.685 178.273 176.600 -0.020 0.000 1.042 137 K CA 1.667 57.944 56.287 -0.017 0.000 0.949 137 K CB -0.054 32.445 32.500 -0.001 0.000 0.740 137 K HN 0.240 8.486 8.250 -0.006 0.000 0.442 138 L N -1.755 119.460 121.223 -0.013 0.000 2.011 138 L HA -0.439 3.896 4.340 -0.009 0.000 0.225 138 L C 1.917 178.775 176.870 -0.020 0.000 1.084 138 L CA 2.700 57.532 54.840 -0.012 0.000 0.791 138 L CB -0.581 41.474 42.059 -0.007 0.000 0.898 138 L HN 0.028 8.253 8.230 -0.008 0.000 0.440 139 G N -2.937 105.846 108.800 -0.029 0.000 2.574 139 G HA2 -0.458 3.478 3.960 -0.039 0.000 0.220 139 G HA3 -0.458 3.665 3.960 -0.058 -0.198 0.220 139 G C 1.087 175.957 174.900 -0.050 0.000 1.173 139 G CA 2.256 47.329 45.100 -0.045 0.000 0.772 139 G HN -0.049 8.699 8.290 -0.026 -0.474 0.585 140 L N 1.805 122.996 121.223 -0.054 0.000 1.963 140 L HA -0.529 3.770 4.340 -0.069 0.000 0.220 140 L C 2.176 179.019 176.870 -0.046 0.000 1.076 140 L CA 2.770 57.575 54.840 -0.059 0.000 0.772 140 L CB -0.784 41.234 42.059 -0.067 0.000 0.892 140 L HN -0.542 7.660 8.230 -0.052 -0.003 0.435 141 A N -1.610 121.188 122.820 -0.036 0.000 1.845 141 A HA -0.402 3.895 4.320 -0.038 0.000 0.215 141 A C 2.157 179.731 177.584 -0.016 0.000 1.195 141 A CA 2.991 55.011 52.037 -0.028 0.000 0.616 141 A CB -0.767 18.221 19.000 -0.020 0.000 0.832 141 A HN -0.681 7.449 8.150 -0.033 0.000 0.443 142 M N -2.686 116.910 119.600 -0.007 0.000 2.153 142 M HA -0.521 3.965 4.480 0.010 0.000 0.253 142 M C 2.759 179.081 176.300 0.036 0.000 1.081 142 M CA 3.343 58.650 55.300 0.012 0.000 1.076 142 M CB -0.967 31.642 32.600 0.015 0.000 1.350 142 M HN 0.233 8.516 8.290 -0.011 0.000 0.401 143 K N -0.575 119.843 120.400 0.030 0.000 2.044 143 K HA -0.041 4.640 4.320 0.169 -0.259 0.204 143 K C 2.717 179.339 176.600 0.037 0.000 1.045 143 K CA 2.298 58.630 56.287 0.076 0.000 0.951 143 K CB 0.418 32.935 32.500 0.029 0.000 0.738 143 K HN -0.347 7.785 8.250 -0.001 0.118 0.443 144 L N -0.725 120.491 121.223 -0.012 0.000 2.151 144 L HA -0.477 3.829 4.340 -0.056 0.000 0.215 144 L C 1.275 178.118 176.870 -0.046 0.000 1.084 144 L CA 3.305 58.117 54.840 -0.048 0.000 0.764 144 L CB -0.476 41.537 42.059 -0.076 0.000 0.891 144 L HN 0.079 8.297 8.230 -0.021 0.000 0.435 145 K N -4.078 116.306 120.400 -0.028 0.000 2.116 145 K HA -0.212 4.081 4.320 -0.045 0.000 0.203 145 K C 1.914 178.494 176.600 -0.033 0.000 1.052 145 K CA 2.209 58.477 56.287 -0.032 0.000 0.952 145 K CB 0.347 32.834 32.500 -0.022 0.000 0.729 145 K HN -0.265 7.948 8.250 -0.016 0.027 0.446 146 E N -0.834 119.361 120.200 -0.008 0.000 2.046 146 E HA -0.235 4.085 4.350 -0.050 0.000 0.190 146 E C 2.358 178.924 176.600 -0.057 0.000 0.982 146 E CA 2.671 59.056 56.400 -0.025 0.000 0.800 146 E CB 0.195 29.911 29.700 0.027 0.000 0.756 146 E HN -0.244 8.016 8.360 0.018 0.111 0.449 147 L N -4.392 116.820 121.223 -0.018 0.000 2.627 147 L HA 0.027 4.303 4.340 -0.107 0.000 0.232 147 L C -0.045 176.782 176.870 -0.073 0.000 1.150 147 L CA -0.535 54.281 54.840 -0.041 0.000 0.917 147 L CB -1.350 40.744 42.059 0.059 0.000 1.104 147 L HN 0.253 8.390 8.230 0.025 0.108 0.445 148 A N -2.358 120.413 122.820 -0.083 0.000 2.021 148 A HA -0.008 4.259 4.320 -0.087 0.000 0.216 148 A C 0.043 177.565 177.584 -0.104 0.000 1.163 148 A CA 2.174 54.158 52.037 -0.088 0.000 0.676 148 A CB 0.812 19.765 19.000 -0.078 0.000 0.818 148 A HN -0.596 7.289 8.150 -0.072 0.222 0.453 149 N N -4.817 113.805 118.700 -0.131 0.000 2.239 149 N HA -0.010 4.656 4.740 -0.123 0.000 0.208 149 N C 0.168 175.542 175.510 -0.226 0.000 1.200 149 N CA -0.628 52.336 53.050 -0.143 0.000 0.895 149 N CB 1.011 39.434 38.487 -0.106 0.000 1.085 149 N HN -0.719 7.584 8.380 -0.130 0.000 0.500 150 E N 2.432 122.457 120.200 -0.291 0.000 2.752 150 E HA -0.318 3.849 4.350 -0.304 0.000 0.241 150 E C -1.137 175.064 176.600 -0.665 0.000 1.016 150 E CA 0.828 56.979 56.400 -0.415 0.000 0.952 150 E CB 0.512 29.959 29.700 -0.421 0.000 0.921 150 E HN -0.839 7.379 8.360 -0.236 0.000 0.515 151 D N 5.024 125.162 120.400 -0.437 0.000 2.424 151 D HA -0.152 4.273 4.640 -0.359 0.000 0.244 151 D C -0.548 175.502 176.300 -0.417 0.000 1.134 151 D CA 1.087 54.867 54.000 -0.367 0.000 0.881 151 D CB 0.430 41.130 40.800 -0.166 0.000 1.191 151 D HN 0.214 8.403 8.370 -0.303 0.000 0.445 152 F N 3.600 123.538 119.950 -0.020 0.000 2.500 152 F HA 0.038 4.543 4.527 -0.038 0.000 0.285 152 F C -0.036 175.772 175.800 0.012 0.000 1.088 152 F CA 0.749 58.739 58.000 -0.018 0.000 1.432 152 F CB 1.902 40.890 39.000 -0.020 0.000 1.131 152 F HN -0.484 7.774 8.300 -0.071 0.000 0.582 153 G N -3.983 104.936 108.800 0.198 0.000 2.359 153 G HA2 -0.156 3.862 3.960 0.096 0.000 0.303 153 G HA3 -0.156 3.907 3.960 0.171 0.000 0.303 153 G C -3.207 171.795 174.900 0.171 0.000 1.293 153 G CA -0.452 44.741 45.100 0.155 0.000 0.964 153 G HN -0.909 7.615 8.290 0.179 -0.126 0.531 154 S N -0.555 115.243 115.700 0.163 0.000 2.661 154 S HA 0.348 4.878 4.470 0.031 -0.041 0.285 154 S C -1.546 173.195 174.600 0.235 0.000 1.138 154 S CA -1.712 56.543 58.200 0.093 0.000 0.855 154 S CB 3.508 66.696 63.200 -0.020 0.000 1.136 154 S HN -0.285 8.116 8.310 0.152 0.000 0.484 155 F N -5.183 114.768 119.950 0.002 0.000 2.978 155 F HA 0.391 4.918 4.527 0.000 0.000 0.324 155 F C -3.158 172.632 175.800 -0.017 0.000 1.157 155 F CA -0.501 57.500 58.000 0.002 0.000 0.879 155 F CB 0.480 39.494 39.000 0.024 0.000 1.364 155 F HN 0.258 8.306 8.300 -0.420 0.000 0.465 156 I N -0.655 120.053 120.570 0.231 0.000 2.433 156 I HA 0.521 4.836 4.170 -0.071 -0.187 0.292 156 I C -0.368 175.900 176.117 0.251 0.000 1.001 156 I CA -1.497 59.863 61.300 0.099 0.000 1.119 156 I CB 2.469 40.501 38.000 0.054 0.000 1.289 156 I HN 0.104 8.531 8.210 0.362 0.000 0.438 157 V N 8.320 128.341 119.914 0.180 0.000 2.352 157 V HA -0.018 4.274 4.120 0.285 0.000 0.253 157 V C -0.707 175.459 176.094 0.120 0.000 1.083 157 V CA 0.717 63.140 62.300 0.205 0.000 0.993 157 V CB -1.926 30.002 31.823 0.174 0.000 1.111 157 V HN 0.052 8.285 8.190 0.072 0.000 0.490 158 E N 8.229 128.493 120.200 0.106 0.000 2.110 158 E HA -0.070 4.318 4.350 0.063 0.000 0.194 158 E C -0.219 176.413 176.600 0.053 0.000 0.944 158 E CA 0.613 57.053 56.400 0.067 0.000 0.899 158 E CB 0.574 30.305 29.700 0.052 0.000 0.907 158 E HN -0.436 7.999 8.360 0.126 0.000 0.473 159 A N -0.848 122.005 122.820 0.054 0.000 2.264 159 A HA 0.054 4.413 4.320 0.065 0.000 0.304 159 A C -1.016 176.614 177.584 0.076 0.000 1.100 159 A CA -0.585 51.491 52.037 0.064 0.000 0.839 159 A CB 2.008 21.042 19.000 0.057 0.000 1.121 159 A HN -0.250 7.931 8.150 0.052 0.000 0.496 160 I N -1.137 119.500 120.570 0.111 0.000 2.603 160 I HA 0.125 4.344 4.170 0.082 0.000 0.300 160 I C -1.937 174.292 176.117 0.188 0.000 1.017 160 I CA -0.505 60.862 61.300 0.112 0.000 1.098 160 I CB 3.907 41.916 38.000 0.014 0.000 1.279 160 I HN -0.269 8.040 8.210 0.164 0.000 0.437 161 E N 4.265 124.534 120.200 0.114 0.000 2.224 161 E HA 0.422 4.819 4.350 0.077 0.000 0.265 161 E C -2.467 174.131 176.600 -0.003 0.000 0.878 161 E CA -1.508 54.927 56.400 0.058 0.000 0.759 161 E CB 4.310 34.016 29.700 0.010 0.000 1.164 161 E HN 0.182 8.595 8.360 0.090 0.000 0.414 162 L N 7.381 128.579 121.223 -0.042 0.000 2.280 162 L HA 0.474 4.825 4.340 -0.179 -0.119 0.287 162 L C -2.522 174.155 176.870 -0.322 0.000 1.023 162 L CA -1.177 53.570 54.840 -0.155 0.000 0.819 162 L CB 1.974 44.000 42.059 -0.054 0.000 1.212 162 L HN 1.023 9.143 8.230 -0.026 0.094 0.420 163 K N 6.175 126.195 120.400 -0.634 0.000 2.238 163 K HA 0.375 4.440 4.320 -0.425 0.000 0.239 163 K C -2.186 173.807 176.600 -1.013 0.000 0.987 163 K CA -1.591 54.258 56.287 -0.730 0.000 0.857 163 K CB 4.014 36.117 32.500 -0.663 0.000 1.154 163 K HN 0.314 8.083 8.250 -0.802 0.000 0.439 164 K N 0.997 121.028 120.400 -0.615 0.000 2.318 164 K HA 0.385 4.540 4.320 -0.496 -0.132 0.249 164 K C -1.744 174.602 176.600 -0.424 0.000 0.942 164 K CA -2.128 53.888 56.287 -0.452 0.000 0.808 164 K CB 3.687 36.035 32.500 -0.255 0.000 1.189 164 K HN 0.515 8.413 8.250 -0.417 0.102 0.428 165 S N 4.974 120.518 115.700 -0.260 0.000 2.502 165 S HA 0.787 5.015 4.470 -0.731 -0.197 0.304 165 S C -1.397 173.139 174.600 -0.107 0.000 1.097 165 S CA -1.472 56.509 58.200 -0.365 0.000 1.045 165 S CB 1.601 64.670 63.200 -0.218 0.000 1.019 165 S HN 0.356 8.470 8.310 -0.112 0.129 0.481 166 T N 9.489 124.009 114.554 -0.057 0.000 3.186 166 T HA 0.227 4.591 4.350 0.024 0.000 0.320 166 T C -1.451 173.286 174.700 0.062 0.000 0.955 166 T CA -0.381 61.727 62.100 0.015 0.000 1.030 166 T CB 1.846 70.715 68.868 0.003 0.000 1.013 166 T HN 0.496 8.694 8.240 -0.069 0.000 0.454 167 L N 7.588 128.855 121.223 0.073 0.000 2.367 167 L HA 0.027 4.429 4.340 0.103 0.000 0.275 167 L C -0.509 176.396 176.870 0.060 0.000 1.129 167 L CA 0.713 55.602 54.840 0.082 0.000 0.839 167 L CB 0.072 42.180 42.059 0.080 0.000 1.133 167 L HN 0.358 8.629 8.230 0.069 0.000 0.453 168 T N 1.960 116.549 114.554 0.059 0.000 2.896 168 T HA 0.440 4.813 4.350 0.038 0.000 0.297 168 T C -1.143 173.581 174.700 0.040 0.000 1.108 168 T CA -3.226 58.901 62.100 0.044 0.000 1.004 168 T CB 1.136 70.029 68.868 0.041 0.000 1.159 168 T HN -0.109 8.073 8.240 0.068 0.099 0.499 169 P HA -0.184 4.253 4.420 0.028 0.000 0.217 169 P C -0.197 177.120 177.300 0.028 0.000 1.148 169 P CA 2.025 65.142 63.100 0.028 0.000 0.834 169 P CB 0.160 31.874 31.700 0.023 0.000 0.783 170 K N -3.537 116.880 120.400 0.029 0.000 2.305 170 K HA -0.060 4.274 4.320 0.024 0.000 0.199 170 K C -0.082 176.537 176.600 0.033 0.000 1.047 170 K CA -0.026 56.278 56.287 0.028 0.000 0.976 170 K CB 0.805 33.321 32.500 0.027 0.000 0.765 170 K HN -0.226 8.012 8.250 0.030 0.030 0.474 171 G N -1.322 107.503 108.800 0.042 0.000 2.361 171 G HA2 -0.116 3.872 3.960 0.047 0.000 0.305 171 G HA3 -0.116 3.871 3.960 0.045 0.000 0.305 171 G C -3.291 171.654 174.900 0.075 0.000 1.367 171 G CA -0.539 44.591 45.100 0.051 0.000 0.951 171 G HN -0.424 7.721 8.290 0.043 0.171 0.615 172 P HA 0.053 4.571 4.420 0.163 0.000 0.271 172 P C -1.664 175.765 177.300 0.215 0.000 1.220 172 P CA -0.282 62.919 63.100 0.168 0.000 0.768 172 P CB 0.420 32.233 31.700 0.189 0.000 0.848 173 I N 3.513 124.223 120.570 0.233 0.000 2.460 173 I HA 0.206 4.503 4.170 0.211 0.000 0.298 173 I C -1.182 175.127 176.117 0.319 0.000 0.989 173 I CA -1.656 59.777 61.300 0.221 0.000 1.173 173 I CB 2.243 40.304 38.000 0.103 0.000 1.338 173 I HN 0.364 8.574 8.210 0.189 0.114 0.456 174 Y N 4.316 124.649 120.300 0.054 0.000 2.354 174 Y HA 0.676 5.525 4.550 0.077 -0.253 0.330 174 Y C -0.894 175.013 175.900 0.012 0.000 1.011 174 Y CA -1.410 56.726 58.100 0.060 0.000 1.099 174 Y CB 3.179 41.697 38.460 0.097 0.000 1.179 174 Y HN 0.266 8.722 8.280 0.293 0.000 0.442 175 E N 4.277 124.487 120.200 0.017 0.000 2.314 175 E HA 0.456 4.816 4.350 0.018 0.000 0.272 175 E C -1.228 175.314 176.600 -0.097 0.000 0.884 175 E CA -2.170 54.217 56.400 -0.021 0.000 0.753 175 E CB 3.882 33.562 29.700 -0.033 0.000 1.213 175 E HN 0.265 8.569 8.360 -0.093 0.000 0.432 176 T N 4.330 118.833 114.554 -0.086 0.000 2.907 176 T HA -0.103 4.247 4.350 -0.182 -0.108 0.298 176 T C -0.508 174.109 174.700 -0.139 0.000 1.017 176 T CA 1.275 63.296 62.100 -0.131 0.000 1.118 176 T CB 0.738 69.544 68.868 -0.103 0.000 0.948 176 T HN 0.336 8.545 8.240 -0.052 0.000 0.531 177 L N 2.542 123.664 121.223 -0.168 0.000 2.600 177 L HA 0.285 4.550 4.340 -0.126 0.000 0.213 177 L C -0.697 176.077 176.870 -0.159 0.000 1.045 177 L CA -0.008 54.743 54.840 -0.147 0.000 0.863 177 L CB 1.209 43.179 42.059 -0.148 0.000 1.189 177 L HN 0.402 8.514 8.230 -0.197 0.000 0.484 178 A N -2.209 120.502 122.820 -0.181 0.000 2.486 178 A HA 0.361 4.482 4.320 -0.331 0.000 0.300 178 A C -2.517 174.887 177.584 -0.301 0.000 1.048 178 A CA -0.039 51.828 52.037 -0.283 0.000 0.696 178 A CB 2.896 21.762 19.000 -0.223 0.000 1.278 178 A HN -0.640 7.408 8.150 -0.170 0.000 0.405 179 R N 1.264 121.474 120.500 -0.483 0.000 2.569 179 R HA 0.341 4.620 4.340 -0.103 0.000 0.293 179 R C -1.160 174.920 176.300 -0.368 0.000 1.186 179 R CA -0.405 55.526 56.100 -0.282 0.000 0.956 179 R CB 2.382 32.589 30.300 -0.155 0.000 1.196 179 R HN 0.266 8.162 8.270 -0.623 0.000 0.444 180 F N 4.889 124.828 119.950 -0.019 0.000 2.334 180 F HA 0.195 4.723 4.527 0.001 0.000 0.365 180 F C -1.273 174.523 175.800 -0.005 0.000 1.124 180 F CA -1.307 56.688 58.000 -0.008 0.000 1.166 180 F CB -0.024 38.966 39.000 -0.016 0.000 1.355 180 F HN 0.301 8.828 8.300 0.380 0.000 0.532 181 E N 4.776 125.046 120.200 0.118 0.000 2.081 181 E HA 0.240 4.625 4.350 0.059 0.000 0.276 181 E C -0.253 176.361 176.600 0.022 0.000 0.950 181 E CA -1.183 55.255 56.400 0.064 0.000 0.776 181 E CB 1.161 30.902 29.700 0.069 0.000 1.094 181 E HN 0.257 8.670 8.360 0.088 0.000 0.402 182 L N 4.550 125.783 121.223 0.016 0.000 1.955 182 L HA -0.236 4.108 4.340 0.006 0.000 0.213 182 L C 0.363 177.202 176.870 -0.053 0.000 1.072 182 L CA 1.408 56.244 54.840 -0.007 0.000 0.755 182 L CB 0.250 42.309 42.059 0.001 0.000 0.888 182 L HN 0.169 8.416 8.230 0.028 0.000 0.432 183 S N -3.582 112.077 115.700 -0.067 0.000 2.568 183 S HA -0.125 4.299 4.470 -0.077 0.000 0.282 183 S C -0.360 174.161 174.600 -0.131 0.000 1.338 183 S CA -0.717 57.429 58.200 -0.090 0.000 1.045 183 S CB 1.181 64.320 63.200 -0.103 0.000 0.873 183 S HN -0.551 7.723 8.310 -0.060 0.000 0.516 184 E N 3.805 123.921 120.200 -0.141 0.000 2.438 184 E HA -0.239 3.884 4.350 -0.378 0.000 0.261 184 E C -0.806 175.698 176.600 -0.161 0.000 1.103 184 E CA 0.225 56.491 56.400 -0.224 0.000 0.959 184 E CB 0.539 30.158 29.700 -0.135 0.000 0.958 184 E HN 0.123 8.420 8.360 -0.105 0.000 0.447 185 H N 0.016 119.045 119.070 -0.068 0.000 2.801 185 H HA -0.013 4.497 4.556 -0.076 0.000 0.377 185 H C 1.069 176.332 175.328 -0.109 0.000 1.304 185 H CA 0.890 56.852 56.048 -0.144 0.000 1.451 185 H CB 0.341 29.915 29.762 -0.314 0.000 1.474 185 H HN -0.050 7.842 8.280 -0.646 0.000 0.620 186 H N -5.692 113.413 119.070 0.059 0.000 2.770 186 H HA -0.277 4.093 4.556 -0.310 0.000 0.309 186 H C -0.393 174.729 175.328 -0.344 0.000 1.206 186 H CA 0.426 56.353 56.048 -0.202 0.000 1.147 186 H CB -1.250 28.438 29.762 -0.123 0.000 1.422 186 H HN 0.432 8.633 8.280 -0.131 0.000 0.420 187 H N -2.535 116.422 119.070 -0.187 0.000 2.270 187 H HA -0.254 4.122 4.556 -0.300 0.000 0.299 187 H C 0.563 175.576 175.328 -0.525 0.000 1.077 187 H CA 1.302 57.138 56.048 -0.353 0.000 1.294 187 H CB 0.342 29.886 29.762 -0.363 0.000 1.371 187 H HN 0.127 8.420 8.280 0.033 0.007 0.491 188 H N -0.561 118.030 119.070 -0.799 0.000 2.538 188 H HA 0.255 4.625 4.556 -0.310 0.000 0.353 188 H C -0.899 174.044 175.328 -0.642 0.000 1.109 188 H CA -0.671 55.069 56.048 -0.513 0.000 1.192 188 H CB 1.222 30.841 29.762 -0.238 0.000 1.555 188 H HN -0.323 6.751 8.280 -2.009 0.000 0.518 189 H N 2.163 121.175 119.070 -0.097 0.000 2.782 189 H HA 0.117 4.577 4.556 -0.159 0.000 0.285 189 H C 0.065 175.370 175.328 -0.040 0.000 1.093 189 H CA -0.136 55.850 56.048 -0.104 0.000 1.410 189 H CB 0.512 30.248 29.762 -0.044 0.000 1.439 189 H HN 0.283 8.570 8.280 0.013 0.000 0.469 190 H N 0.000 119.129 119.070 0.099 0.000 2.539 190 H HA 0.000 4.588 4.556 0.053 0.000 0.296 190 H CA 0.000 56.086 56.048 0.063 0.000 1.023 190 H CB 0.000 29.790 29.762 0.046 0.000 1.292 190 H HN 0.000 8.269 8.280 -0.018 0.000 0.496