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 2wy3_1_B DATA FIRST_RESID 27 DATA SEQUENCE VDLGSKSSNS TcRLNVTELA SIHPGETWTL HGMCISIcYY ENVTEDEIIG DATA SEQUENCE VAFTWQHNES VVDLWLYQND TVIRNFSDIT TNILQDGLKM RTVPVTKLYT DATA SEQUENCE SRMVTNLTVG RYDcLRcENG TTKIIERLYV RLGSLYP 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 27 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 27 V C 0.000 176.101 176.094 0.011 0.000 1.182 27 V CA 0.000 62.309 62.300 0.016 0.000 1.235 27 V CB 0.000 31.837 31.823 0.023 0.000 1.184 28 D N 5.087 125.492 120.400 0.008 0.000 2.181 28 D HA 0.685 5.325 4.640 0.000 0.000 0.248 28 D C -0.617 175.683 176.300 0.001 0.000 1.020 28 D CA -0.181 53.822 54.000 0.005 0.000 0.891 28 D CB 1.972 42.774 40.800 0.003 0.000 1.187 28 D HN 0.410 8.780 8.370 -0.000 0.000 0.443 29 L N 0.293 121.517 121.223 0.001 0.000 2.279 29 L HA 0.753 5.093 4.340 0.000 0.000 0.262 29 L C 1.103 177.974 176.870 0.002 0.000 1.019 29 L CA -0.445 54.394 54.840 -0.002 0.000 0.823 29 L CB 0.971 43.031 42.059 0.001 0.000 1.358 29 L HN 0.705 8.935 8.230 -0.000 0.000 0.432 30 G N 1.017 109.818 108.800 0.001 0.000 2.548 30 G HA2 -0.112 3.848 3.960 0.000 0.000 0.208 30 G HA3 -0.112 3.848 3.960 0.000 0.000 0.208 30 G C -0.804 174.096 174.900 0.000 0.000 1.308 30 G CA -0.052 45.053 45.100 0.008 0.000 0.924 30 G HN 0.814 9.104 8.290 -0.000 0.000 0.540 31 S N -0.724 114.979 115.700 0.005 0.000 2.605 31 S HA 0.610 5.080 4.470 0.000 0.000 0.308 31 S C 1.068 175.669 174.600 0.001 0.000 1.113 31 S CA 0.212 58.413 58.200 0.001 0.000 1.049 31 S CB 1.469 64.672 63.200 0.004 0.000 1.001 31 S HN 0.731 9.041 8.310 -0.000 0.000 0.480 32 K N 2.168 122.566 120.400 -0.003 0.000 2.097 32 K HA -0.069 4.251 4.320 0.000 0.000 0.205 32 K C 2.225 178.824 176.600 -0.000 0.000 1.050 32 K CA 1.603 57.889 56.287 -0.002 0.000 0.938 32 K CB -0.167 32.331 32.500 -0.004 0.000 0.718 32 K HN 0.777 9.027 8.250 -0.000 0.000 0.442 33 S N 0.304 116.004 115.700 -0.001 0.000 2.423 33 S HA -0.053 4.417 4.470 0.000 0.000 0.231 33 S C 1.750 176.352 174.600 0.003 0.000 1.014 33 S CA 1.133 59.333 58.200 -0.000 0.000 0.965 33 S CB -0.001 63.198 63.200 -0.002 0.000 0.785 33 S HN 0.024 8.334 8.310 -0.000 0.000 0.495 34 S N 1.995 117.698 115.700 0.005 0.000 2.605 34 S HA 0.250 4.720 4.470 0.000 0.000 0.217 34 S C 0.544 175.149 174.600 0.008 0.000 0.958 34 S CA 0.120 58.325 58.200 0.008 0.000 0.919 34 S CB -0.585 62.622 63.200 0.012 0.000 0.780 34 S HN 0.632 8.942 8.310 -0.000 0.000 0.507 35 N N 1.688 120.391 118.700 0.006 0.000 2.708 35 N HA -0.191 4.549 4.740 0.000 0.000 0.249 35 N C -0.514 175.001 175.510 0.008 0.000 1.097 35 N CA 0.813 53.867 53.050 0.006 0.000 0.710 35 N CB -1.460 37.031 38.487 0.006 0.000 1.032 35 N HN 0.295 8.675 8.380 -0.000 0.000 0.551 36 S N -0.017 115.689 115.700 0.010 0.000 2.252 36 S HA 0.489 4.959 4.470 0.000 0.000 0.187 36 S C -0.593 174.014 174.600 0.012 0.000 1.587 36 S CA -0.218 57.990 58.200 0.012 0.000 1.215 36 S CB 0.292 63.502 63.200 0.017 0.000 1.085 36 S HN 0.243 8.553 8.310 -0.000 0.000 0.466 37 T N 3.073 117.633 114.554 0.009 0.000 2.855 37 T HA 0.643 4.993 4.350 0.000 0.000 0.281 37 T C -0.343 174.362 174.700 0.009 0.000 1.007 37 T CA -0.582 61.523 62.100 0.008 0.000 1.009 37 T CB 0.922 69.793 68.868 0.005 0.000 0.983 37 T HN 0.803 9.043 8.240 -0.000 0.000 0.455 38 c N 2.413 121.019 118.600 0.010 0.000 2.609 38 c HA 0.869 5.439 4.570 0.000 0.000 0.313 38 c C -0.483 173.612 174.090 0.009 0.000 1.175 38 c CA -1.337 54.998 56.329 0.011 0.000 1.434 38 c CB 0.977 43.495 42.510 0.014 0.000 2.005 38 c HN 0.912 9.142 8.230 -0.000 0.000 0.471 39 R N 2.349 122.854 120.500 0.009 0.000 2.234 39 R HA 0.591 4.931 4.340 0.000 0.000 0.324 39 R C -0.458 175.848 176.300 0.010 0.000 1.054 39 R CA -0.627 55.478 56.100 0.009 0.000 0.912 39 R CB 0.333 30.638 30.300 0.008 0.000 1.030 39 R HN 0.912 9.182 8.270 -0.000 0.000 0.455 40 L N 4.227 125.456 121.223 0.010 0.000 2.462 40 L HA 0.285 4.625 4.340 0.000 0.000 0.272 40 L C -0.733 176.144 176.870 0.011 0.000 1.166 40 L CA 0.604 55.450 54.840 0.011 0.000 0.880 40 L CB 0.414 42.481 42.059 0.013 0.000 1.142 40 L HN 0.695 8.925 8.230 -0.000 0.000 0.473 41 N N 3.801 122.506 118.700 0.009 0.000 2.573 41 N HA 0.130 4.870 4.740 0.000 0.000 0.262 41 N C 0.677 176.190 175.510 0.005 0.000 1.029 41 N CA -0.140 52.915 53.050 0.008 0.000 0.882 41 N CB 1.408 39.899 38.487 0.007 0.000 1.204 41 N HN 0.529 8.909 8.380 -0.000 0.000 0.519 42 V N 1.516 121.433 119.914 0.004 0.000 2.594 42 V HA -0.101 4.019 4.120 0.000 0.000 0.253 42 V C 1.580 177.669 176.094 -0.008 0.000 1.069 42 V CA 1.768 64.067 62.300 -0.002 0.000 1.082 42 V CB -1.182 30.638 31.823 -0.005 0.000 0.680 42 V HN 0.517 8.707 8.190 -0.000 0.000 0.469 43 T N 0.625 115.177 114.554 -0.004 0.000 3.007 43 T HA -0.081 4.269 4.350 0.000 0.000 0.270 43 T C 1.598 176.298 174.700 -0.001 0.000 1.107 43 T CA 1.768 63.865 62.100 -0.004 0.000 1.118 43 T CB -0.279 68.588 68.868 -0.001 0.000 0.889 43 T HN 0.720 8.960 8.240 -0.000 0.000 0.506 44 E N 0.338 120.539 120.200 0.002 0.000 2.447 44 E HA 0.190 4.540 4.350 0.000 0.000 0.195 44 E C 1.845 178.449 176.600 0.006 0.000 1.028 44 E CA -0.027 56.377 56.400 0.006 0.000 0.876 44 E CB -0.044 29.661 29.700 0.009 0.000 0.885 44 E HN 0.424 8.784 8.360 -0.000 0.000 0.500 45 L N 0.735 121.958 121.223 -0.001 0.000 2.083 45 L HA -0.171 4.169 4.340 0.000 0.000 0.209 45 L C 2.607 179.475 176.870 -0.003 0.000 1.083 45 L CA 1.033 55.870 54.840 -0.004 0.000 0.752 45 L CB -0.509 41.540 42.059 -0.016 0.000 0.899 45 L HN 0.162 8.392 8.230 -0.000 0.000 0.433 46 A N 0.347 123.166 122.820 -0.002 0.000 1.948 46 A HA -0.244 4.076 4.320 0.000 0.000 0.220 46 A C 2.457 180.056 177.584 0.026 0.000 1.177 46 A CA 2.244 54.287 52.037 0.009 0.000 0.636 46 A CB -0.666 18.340 19.000 0.010 0.000 0.815 46 A HN 0.543 8.693 8.150 -0.000 0.000 0.449 47 S N -0.999 114.716 115.700 0.025 0.000 2.562 47 S HA 0.236 4.706 4.470 0.000 0.000 0.221 47 S C 0.597 175.228 174.600 0.051 0.000 0.975 47 S CA -0.269 57.953 58.200 0.037 0.000 0.918 47 S CB -0.541 62.676 63.200 0.029 0.000 0.772 47 S HN 0.399 8.709 8.310 -0.000 0.000 0.531 48 I N 3.081 123.676 120.570 0.042 0.000 2.556 48 I HA 0.075 4.245 4.170 0.000 0.000 0.284 48 I C 0.910 177.074 176.117 0.078 0.000 1.114 48 I CA -0.282 61.051 61.300 0.057 0.000 1.418 48 I CB 0.406 38.426 38.000 0.033 0.000 1.394 48 I HN 0.343 8.553 8.210 -0.000 0.000 0.552 49 H N 8.264 127.343 119.070 0.015 0.000 2.878 49 H HA 0.253 4.809 4.556 0.000 0.000 0.290 49 H C -2.353 172.985 175.328 0.017 0.000 1.065 49 H CA -1.577 54.483 56.048 0.020 0.000 1.477 49 H CB 0.844 30.616 29.762 0.016 0.000 1.484 49 H HN 0.308 8.588 8.280 -0.000 0.000 0.504 50 P HA 0.107 4.527 4.420 -0.000 0.000 0.277 50 P C 0.975 178.157 177.300 -0.196 0.000 1.240 50 P CA -0.284 62.707 63.100 -0.181 0.000 0.798 50 P CB 0.791 32.407 31.700 -0.141 0.000 0.979 51 G N 0.623 109.381 108.800 -0.070 0.000 2.432 51 G HA2 -0.134 3.826 3.960 0.000 0.000 0.219 51 G HA3 -0.134 3.826 3.960 0.000 0.000 0.219 51 G C 0.212 175.084 174.900 -0.047 0.000 1.135 51 G CA 0.658 45.738 45.100 -0.033 0.000 0.767 51 G HN 0.630 8.920 8.290 -0.000 0.000 0.550 52 E N -1.327 118.843 120.200 -0.049 0.000 2.352 52 E HA 0.501 4.851 4.350 0.000 0.000 0.280 52 E C -1.651 174.988 176.600 0.065 0.000 0.930 52 E CA -0.624 55.767 56.400 -0.014 0.000 0.765 52 E CB 1.599 31.275 29.700 -0.040 0.000 1.219 52 E HN 0.015 8.375 8.360 -0.000 0.000 0.434 53 T N 3.532 118.166 114.554 0.132 0.000 2.909 53 T HA 0.677 5.027 4.350 0.000 0.000 0.299 53 T C -1.302 173.663 174.700 0.441 0.000 1.073 53 T CA -0.823 61.428 62.100 0.251 0.000 0.999 53 T CB 0.885 69.840 68.868 0.144 0.000 1.098 53 T HN 0.561 8.801 8.240 -0.000 0.000 0.477 54 W N -0.298 121.051 121.300 0.082 0.000 2.926 54 W HA 0.641 5.301 4.660 -0.000 0.000 0.361 54 W C -2.099 174.506 176.519 0.143 0.000 1.195 54 W CA -0.990 56.410 57.345 0.091 0.000 1.177 54 W CB 0.238 29.724 29.460 0.044 0.000 1.453 54 W HN 0.588 8.768 8.180 -0.000 0.000 0.571 55 T N 2.397 116.996 114.554 0.075 0.000 2.886 55 T HA 0.679 5.029 4.350 0.000 0.000 0.292 55 T C -0.657 173.924 174.700 -0.199 0.000 1.012 55 T CA -0.542 61.483 62.100 -0.125 0.000 0.982 55 T CB 1.933 70.765 68.868 -0.060 0.000 1.018 55 T HN 0.335 8.575 8.240 -0.000 0.000 0.451 56 L N 3.067 124.075 121.223 -0.358 0.000 2.346 56 L HA 0.512 4.852 4.340 0.000 0.000 0.276 56 L C -0.258 176.452 176.870 -0.266 0.000 1.006 56 L CA -0.989 53.717 54.840 -0.224 0.000 0.817 56 L CB 1.463 43.359 42.059 -0.271 0.000 1.272 56 L HN 0.583 8.813 8.230 -0.000 0.000 0.421 57 H N 2.248 121.321 119.070 0.004 0.000 2.551 57 H HA 0.277 4.833 4.556 0.000 0.000 0.321 57 H C 0.731 176.074 175.328 0.024 0.000 1.028 57 H CA 0.405 56.463 56.048 0.017 0.000 1.215 57 H CB 1.839 31.615 29.762 0.023 0.000 1.414 57 H HN 0.906 9.186 8.280 -0.000 0.000 0.480 58 G N 3.056 111.920 108.800 0.105 0.000 2.176 58 G HA2 -0.250 3.710 3.960 0.000 0.000 0.253 58 G HA3 -0.250 3.710 3.960 0.000 0.000 0.253 58 G C 0.117 175.048 174.900 0.051 0.000 0.979 58 G CA 0.337 45.488 45.100 0.085 0.000 0.641 58 G HN 0.597 8.887 8.290 -0.000 0.000 0.530 59 M N -0.143 119.468 119.600 0.019 0.000 2.378 59 M HA 0.624 5.104 4.480 0.000 0.000 0.289 59 M C -1.090 175.167 176.300 -0.070 0.000 1.136 59 M CA -0.874 54.423 55.300 -0.004 0.000 0.917 59 M CB 2.130 34.745 32.600 0.027 0.000 1.669 59 M HN 0.488 8.778 8.290 -0.000 0.000 0.461 60 C N 7.056 126.302 119.300 -0.091 0.000 2.647 60 C HA 0.663 5.123 4.460 0.000 0.000 0.273 60 C C -1.213 173.676 174.990 -0.168 0.000 1.088 60 C CA -0.403 58.499 59.018 -0.194 0.000 1.529 60 C CB -1.078 26.516 27.740 -0.244 0.000 1.810 60 C HN 0.840 9.070 8.230 -0.000 0.000 0.422 61 I N 4.732 125.230 120.570 -0.120 0.000 2.468 61 I HA 0.321 4.491 4.170 0.000 0.000 0.284 61 I C -0.069 176.049 176.117 0.002 0.000 1.038 61 I CA 0.150 61.434 61.300 -0.026 0.000 1.083 61 I CB 1.790 39.830 38.000 0.067 0.000 1.223 61 I HN 0.540 8.750 8.210 -0.000 0.000 0.443 62 S N 7.956 123.642 115.700 -0.022 0.000 2.449 62 S HA 0.726 5.196 4.470 0.000 0.000 0.310 62 S C -0.764 173.851 174.600 0.026 0.000 1.096 62 S CA -0.429 57.796 58.200 0.042 0.000 1.095 62 S CB 0.785 63.981 63.200 -0.006 0.000 1.007 62 S HN 0.495 8.805 8.310 -0.000 0.000 0.474 63 I N 5.295 125.868 120.570 0.005 0.000 2.493 63 I HA 0.310 4.480 4.170 0.000 0.000 0.279 63 I C -0.502 175.562 176.117 -0.088 0.000 1.045 63 I CA -0.731 60.435 61.300 -0.224 0.000 1.106 63 I CB 1.124 38.916 38.000 -0.347 0.000 1.216 63 I HN 0.696 8.906 8.210 -0.000 0.000 0.459 64 c N 3.365 121.943 118.600 -0.037 0.000 2.358 64 c HA 0.544 5.114 4.570 0.000 0.000 0.342 64 c C -0.221 173.921 174.090 0.088 0.000 1.234 64 c CA -1.175 55.174 56.329 0.033 0.000 1.969 64 c CB 0.263 42.800 42.510 0.045 0.000 2.346 64 c HN 0.707 8.937 8.230 -0.000 0.000 0.525 65 Y N 1.575 121.789 120.300 -0.143 0.000 2.369 65 Y HA 0.542 5.092 4.550 0.000 0.000 0.337 65 Y C -0.993 174.812 175.900 -0.158 0.000 0.961 65 Y CA -0.442 57.610 58.100 -0.079 0.000 1.186 65 Y CB 0.430 38.834 38.460 -0.094 0.000 1.139 65 Y HN 0.773 9.053 8.280 -0.000 0.000 0.494 66 Y N 4.389 124.651 120.300 -0.063 0.000 2.328 66 Y HA 0.314 4.864 4.550 -0.000 0.000 0.333 66 Y C -0.182 175.680 175.900 -0.063 0.000 0.958 66 Y CA -0.948 57.145 58.100 -0.013 0.000 1.167 66 Y CB 1.231 39.675 38.460 -0.026 0.000 1.151 66 Y HN 0.539 8.819 8.280 -0.000 0.000 0.470 67 E N 2.578 122.862 120.200 0.139 0.000 2.301 67 E HA 0.178 4.528 4.350 0.000 0.000 0.275 67 E C -0.395 176.261 176.600 0.092 0.000 1.030 67 E CA -0.619 55.835 56.400 0.090 0.000 0.852 67 E CB 0.490 30.263 29.700 0.122 0.000 1.060 67 E HN 0.564 8.924 8.360 -0.000 0.000 0.401 68 N N 0.385 119.121 118.700 0.060 0.000 2.725 68 N HA -0.157 4.583 4.740 0.000 0.000 0.251 68 N C -1.118 174.425 175.510 0.056 0.000 1.031 68 N CA 0.370 53.451 53.050 0.051 0.000 0.720 68 N CB -1.388 37.128 38.487 0.048 0.000 0.930 68 N HN 0.173 8.553 8.380 -0.000 0.000 0.543 69 V N 0.560 120.508 119.914 0.057 0.000 2.521 69 V HA 0.156 4.276 4.120 0.000 0.000 0.286 69 V C 1.461 177.568 176.094 0.021 0.000 1.034 69 V CA 0.134 62.459 62.300 0.043 0.000 1.045 69 V CB 0.976 32.815 31.823 0.026 0.000 0.974 69 V HN 0.483 8.673 8.190 -0.000 0.000 0.480 70 T N 1.072 115.634 114.554 0.013 0.000 2.874 70 T HA 0.308 4.658 4.350 0.000 0.000 0.281 70 T C 0.988 175.680 174.700 -0.013 0.000 0.994 70 T CA -0.592 61.510 62.100 0.003 0.000 1.015 70 T CB 1.230 70.100 68.868 0.004 0.000 1.028 70 T HN 0.672 8.912 8.240 -0.000 0.000 0.523 71 E N 0.691 120.881 120.200 -0.017 0.000 2.097 71 E HA -0.192 4.158 4.350 0.000 0.000 0.196 71 E C 1.407 177.980 176.600 -0.045 0.000 1.000 71 E CA 1.655 58.036 56.400 -0.033 0.000 0.804 71 E CB -0.040 29.643 29.700 -0.027 0.000 0.740 71 E HN 0.864 9.224 8.360 -0.000 0.000 0.454 72 D N 0.261 120.641 120.400 -0.033 0.000 2.339 72 D HA -0.061 4.579 4.640 0.000 0.000 0.217 72 D C 0.258 176.536 176.300 -0.035 0.000 1.050 72 D CA 0.056 54.035 54.000 -0.035 0.000 0.856 72 D CB -0.249 40.537 40.800 -0.024 0.000 0.922 72 D HN 0.044 8.414 8.370 -0.000 0.000 0.518 73 E N 0.729 120.909 120.200 -0.034 0.000 2.324 73 E HA 0.197 4.547 4.350 0.000 0.000 0.271 73 E C -0.305 176.266 176.600 -0.049 0.000 1.028 73 E CA -0.379 56.004 56.400 -0.029 0.000 0.890 73 E CB 0.602 30.294 29.700 -0.014 0.000 1.004 73 E HN 0.200 8.560 8.360 -0.000 0.000 0.431 74 I N 7.399 127.945 120.570 -0.041 0.000 2.312 74 I HA 0.238 4.408 4.170 0.000 0.000 0.291 74 I C 0.329 176.407 176.117 -0.064 0.000 1.031 74 I CA -0.335 60.934 61.300 -0.051 0.000 1.293 74 I CB 0.337 38.316 38.000 -0.034 0.000 1.403 74 I HN 0.448 8.658 8.210 -0.000 0.000 0.484 75 I N 2.761 123.262 120.570 -0.115 0.000 3.170 75 I HA 1.075 5.245 4.170 0.000 0.000 0.312 75 I C 0.115 176.078 176.117 -0.256 0.000 1.085 75 I CA -0.665 60.520 61.300 -0.192 0.000 0.999 75 I CB 2.288 40.003 38.000 -0.475 0.000 1.233 75 I HN 0.599 8.809 8.210 -0.000 0.000 0.467 76 G N 0.902 109.519 108.800 -0.305 0.000 2.340 76 G HA2 0.500 4.460 3.960 0.000 0.000 0.299 76 G HA3 0.500 4.460 3.960 0.000 0.000 0.299 76 G C -2.052 172.574 174.900 -0.456 0.000 1.291 76 G CA -0.532 44.249 45.100 -0.532 0.000 0.841 76 G HN 0.629 8.919 8.290 -0.000 0.000 0.500 77 V N 0.306 119.849 119.914 -0.617 0.000 2.577 77 V HA 0.753 4.873 4.120 0.000 0.000 0.303 77 V C 0.354 176.467 176.094 0.032 0.000 1.042 77 V CA -0.268 61.871 62.300 -0.267 0.000 0.872 77 V CB 1.197 32.858 31.823 -0.269 0.000 0.998 77 V HN 1.591 9.781 8.190 -0.000 0.000 0.423 78 A N 4.566 127.463 122.820 0.128 0.000 2.301 78 A HA 0.856 5.176 4.320 0.000 0.000 0.312 78 A C -1.103 176.617 177.584 0.226 0.000 1.182 78 A CA -0.318 51.832 52.037 0.187 0.000 0.826 78 A CB 0.759 19.799 19.000 0.067 0.000 1.134 78 A HN 0.877 9.027 8.150 -0.000 0.000 0.501 79 F N 2.332 122.288 119.950 0.009 0.000 2.427 79 F HA 0.568 5.095 4.527 0.000 0.000 0.348 79 F C -0.328 175.311 175.800 -0.268 0.000 1.125 79 F CA -0.498 57.284 58.000 -0.364 0.000 0.989 79 F CB 1.637 40.285 39.000 -0.586 0.000 1.165 79 F HN 0.386 8.686 8.300 -0.000 0.000 0.442 80 T N 6.494 120.639 114.554 -0.681 0.000 2.758 80 T HA 0.091 4.441 4.350 0.000 0.000 0.285 80 T C -0.971 173.263 174.700 -0.776 0.000 0.981 80 T CA -0.191 61.543 62.100 -0.610 0.000 0.965 80 T CB 0.232 68.934 68.868 -0.276 0.000 0.927 80 T HN 0.594 8.834 8.240 -0.000 0.000 0.448 81 W N 3.410 124.129 121.300 -0.968 0.000 2.223 81 W HA 0.103 4.763 4.660 0.000 0.000 0.334 81 W C 1.601 177.925 176.519 -0.324 0.000 1.334 81 W CA -0.888 56.060 57.345 -0.662 0.000 1.246 81 W CB 0.376 29.608 29.460 -0.380 0.000 1.184 81 W HN 0.820 9.000 8.180 -0.000 0.000 0.563 82 Q N 2.309 121.861 119.800 -0.413 0.000 2.181 82 Q HA -0.259 4.081 4.340 0.000 0.000 0.205 82 Q C 1.335 176.849 176.000 -0.811 0.000 0.980 82 Q CA 1.765 57.220 55.803 -0.580 0.000 0.862 82 Q CB -0.152 28.185 28.738 -0.669 0.000 0.905 82 Q HN 0.586 8.856 8.270 -0.000 0.000 0.429 83 H N -1.134 117.254 119.070 -1.136 0.000 2.539 83 H HA 0.213 4.769 4.556 0.000 0.000 0.269 83 H C -0.072 174.831 175.328 -0.708 0.000 0.980 83 H CA 0.241 55.641 56.048 -1.080 0.000 1.152 83 H CB 0.552 29.330 29.762 -1.639 0.000 1.407 83 H HN 0.114 8.394 8.280 -0.000 0.000 0.564 84 N N 1.033 119.527 118.700 -0.343 0.000 2.699 84 N HA -0.052 4.688 4.740 0.000 0.000 0.271 84 N C 0.749 176.255 175.510 -0.007 0.000 1.216 84 N CA -0.076 52.951 53.050 -0.038 0.000 0.844 84 N CB 1.256 39.852 38.487 0.181 0.000 1.462 84 N HN 0.288 8.668 8.380 -0.000 0.000 0.555 85 E N 0.540 120.708 120.200 -0.053 0.000 2.333 85 E HA -0.067 4.283 4.350 0.000 0.000 0.198 85 E C 0.258 176.836 176.600 -0.038 0.000 1.007 85 E CA 0.972 57.338 56.400 -0.058 0.000 0.845 85 E CB 0.093 29.763 29.700 -0.050 0.000 0.766 85 E HN 0.296 8.656 8.360 -0.000 0.000 0.507 86 S N 0.467 116.162 115.700 -0.008 0.000 2.527 86 S HA 0.065 4.535 4.470 0.000 0.000 0.222 86 S C 0.545 175.143 174.600 -0.003 0.000 0.985 86 S CA 0.015 58.214 58.200 -0.003 0.000 0.921 86 S CB 0.483 63.689 63.200 0.011 0.000 0.772 86 S HN 0.072 8.382 8.310 -0.000 0.000 0.529 87 V N 2.998 122.918 119.914 0.011 0.000 2.334 87 V HA 0.370 4.490 4.120 0.000 0.000 0.267 87 V C -0.436 175.584 176.094 -0.124 0.000 1.040 87 V CA -0.245 62.048 62.300 -0.012 0.000 0.866 87 V CB 0.829 32.702 31.823 0.084 0.000 1.019 87 V HN 0.035 8.225 8.190 -0.000 0.000 0.468 88 V N 3.963 123.810 119.914 -0.112 0.000 2.577 88 V HA 0.522 4.642 4.120 0.000 0.000 0.303 88 V C -0.512 175.553 176.094 -0.049 0.000 1.042 88 V CA -0.613 61.604 62.300 -0.139 0.000 0.872 88 V CB 2.155 33.932 31.823 -0.077 0.000 0.998 88 V HN 0.765 8.955 8.190 -0.000 0.000 0.423 89 D N 2.525 122.918 120.400 -0.011 0.000 2.442 89 D HA 0.815 5.455 4.640 0.000 0.000 0.254 89 D C -1.301 175.229 176.300 0.382 0.000 1.069 89 D CA -0.371 53.733 54.000 0.174 0.000 1.017 89 D CB 2.181 43.055 40.800 0.124 0.000 1.172 89 D HN 0.412 8.782 8.370 -0.000 0.000 0.561 90 L N 1.796 123.353 121.223 0.557 0.000 2.549 90 L HA 0.518 4.858 4.340 0.000 0.000 0.259 90 L C -1.832 175.268 176.870 0.383 0.000 0.934 90 L CA -0.579 54.522 54.840 0.434 0.000 0.865 90 L CB 1.524 43.706 42.059 0.204 0.000 1.352 90 L HN 0.510 8.740 8.230 -0.000 0.000 0.410 91 W N 5.485 126.734 121.300 -0.086 0.000 2.844 91 W HA 0.791 5.451 4.660 0.000 0.000 0.340 91 W C -2.317 174.149 176.519 -0.088 0.000 1.093 91 W CA -1.134 56.079 57.345 -0.219 0.000 1.212 91 W CB 1.166 30.272 29.460 -0.591 0.000 1.422 91 W HN 0.488 8.668 8.180 -0.000 0.000 0.515 92 L N 3.046 124.364 121.223 0.159 0.000 2.388 92 L HA 0.560 4.900 4.340 0.000 0.000 0.264 92 L C -1.571 175.416 176.870 0.195 0.000 0.998 92 L CA -1.133 53.714 54.840 0.011 0.000 0.817 92 L CB 2.784 44.858 42.059 0.025 0.000 1.338 92 L HN 0.565 8.795 8.230 -0.000 0.000 0.414 93 Y N 1.769 122.010 120.300 -0.099 0.000 2.442 93 Y HA 0.513 5.063 4.550 -0.000 0.000 0.344 93 Y C -0.840 175.016 175.900 -0.072 0.000 0.976 93 Y CA -0.357 57.729 58.100 -0.024 0.000 1.040 93 Y CB 2.092 40.510 38.460 -0.070 0.000 1.228 93 Y HN 0.555 8.835 8.280 -0.000 0.000 0.451 94 Q N 4.609 124.190 119.800 -0.364 0.000 2.327 94 Q HA 0.219 4.559 4.340 0.000 0.000 0.265 94 Q C -1.035 174.753 176.000 -0.353 0.000 0.993 94 Q CA -0.671 54.971 55.803 -0.268 0.000 0.885 94 Q CB 1.496 30.151 28.738 -0.137 0.000 1.379 94 Q HN 0.858 9.128 8.270 -0.000 0.000 0.408 95 N N 3.288 121.835 118.700 -0.255 0.000 2.725 95 N HA -0.189 4.551 4.740 0.000 0.000 0.251 95 N C -1.093 174.246 175.510 -0.284 0.000 1.031 95 N CA 1.729 54.659 53.050 -0.200 0.000 0.720 95 N CB -0.900 37.506 38.487 -0.135 0.000 0.930 95 N HN 0.910 9.290 8.380 -0.000 0.000 0.543 96 D N -2.218 117.916 120.400 -0.443 0.000 2.911 96 D HA -0.183 4.457 4.640 0.000 0.000 0.227 96 D C -0.618 175.399 176.300 -0.473 0.000 1.164 96 D CA 1.705 55.472 54.000 -0.389 0.000 0.782 96 D CB -1.636 39.131 40.800 -0.055 0.000 1.094 96 D HN 0.593 8.963 8.370 -0.000 0.000 0.425 97 T N -0.837 113.252 114.554 -0.776 0.000 2.912 97 T HA 0.434 4.784 4.350 0.000 0.000 0.299 97 T C 0.241 174.774 174.700 -0.279 0.000 1.052 97 T CA -0.664 61.230 62.100 -0.343 0.000 0.996 97 T CB 2.839 71.602 68.868 -0.176 0.000 1.070 97 T HN -0.143 8.097 8.240 -0.000 0.000 0.465 98 V N 3.807 123.780 119.914 0.098 0.000 2.485 98 V HA 0.119 4.239 4.120 0.000 0.000 0.287 98 V C 1.429 177.578 176.094 0.093 0.000 1.022 98 V CA 0.287 62.729 62.300 0.236 0.000 1.067 98 V CB -0.105 31.830 31.823 0.185 0.000 0.967 98 V HN 0.883 9.073 8.190 -0.000 0.000 0.479 99 I N 2.160 122.789 120.570 0.098 0.000 4.057 99 I HA 0.461 4.631 4.170 0.000 0.000 0.334 99 I C 0.811 176.972 176.117 0.073 0.000 1.308 99 I CA 0.197 61.525 61.300 0.047 0.000 1.125 99 I CB 0.202 38.206 38.000 0.007 0.000 1.034 99 I HN 0.527 8.737 8.210 -0.000 0.000 0.401 100 R N 1.812 122.387 120.500 0.126 0.000 2.515 100 R HA 0.371 4.711 4.340 0.000 0.000 0.278 100 R C -1.456 174.946 176.300 0.170 0.000 1.107 100 R CA -0.515 55.661 56.100 0.127 0.000 0.945 100 R CB 1.322 31.693 30.300 0.117 0.000 1.219 100 R HN 0.080 8.350 8.270 -0.000 0.000 0.434 101 N N 2.625 121.396 118.700 0.118 0.000 2.493 101 N HA 0.226 4.966 4.740 0.000 0.000 0.275 101 N C -0.368 175.257 175.510 0.192 0.000 1.186 101 N CA -0.089 53.011 53.050 0.083 0.000 0.978 101 N CB 0.366 38.879 38.487 0.043 0.000 1.184 101 N HN 0.263 8.643 8.380 -0.000 0.000 0.487 102 F N 0.930 120.974 119.950 0.156 0.000 2.629 102 F HA -0.117 4.410 4.527 0.000 0.000 0.369 102 F C 2.225 178.077 175.800 0.086 0.000 1.125 102 F CA -0.279 57.812 58.000 0.152 0.000 1.330 102 F CB -0.094 38.979 39.000 0.122 0.000 1.071 102 F HN 0.480 8.780 8.300 -0.000 0.000 0.595 103 S N -0.380 115.499 115.700 0.297 0.000 2.419 103 S HA -0.144 4.326 4.470 0.000 0.000 0.233 103 S C 0.448 175.109 174.600 0.101 0.000 1.016 103 S CA 1.109 59.398 58.200 0.149 0.000 0.974 103 S CB -0.178 63.081 63.200 0.099 0.000 0.786 103 S HN 0.635 8.945 8.310 -0.000 0.000 0.492 104 D N 0.982 121.442 120.400 0.100 0.000 2.462 104 D HA 0.319 4.959 4.640 0.000 0.000 0.245 104 D C 0.537 176.880 176.300 0.072 0.000 1.122 104 D CA -0.714 53.314 54.000 0.045 0.000 0.864 104 D CB 1.109 41.898 40.800 -0.017 0.000 1.098 104 D HN 0.451 8.821 8.370 -0.000 0.000 0.541 105 I N 0.980 121.589 120.570 0.066 0.000 3.928 105 I HA 0.108 4.278 4.170 0.000 0.000 0.335 105 I C 1.443 177.571 176.117 0.019 0.000 1.325 105 I CA -0.105 61.232 61.300 0.062 0.000 1.107 105 I CB 0.008 38.030 38.000 0.037 0.000 1.014 105 I HN 0.161 8.371 8.210 -0.000 0.000 0.400 106 T N -1.262 113.296 114.554 0.006 0.000 2.881 106 T HA -0.149 4.201 4.350 0.000 0.000 0.270 106 T C 1.745 176.438 174.700 -0.011 0.000 1.068 106 T CA 1.909 64.005 62.100 -0.006 0.000 1.131 106 T CB -1.006 67.857 68.868 -0.010 0.000 0.871 106 T HN 0.585 8.825 8.240 -0.000 0.000 0.479 107 T N -1.221 113.325 114.554 -0.014 0.000 3.107 107 T HA 0.200 4.550 4.350 0.000 0.000 0.249 107 T C 0.549 175.237 174.700 -0.020 0.000 1.096 107 T CA -0.629 61.459 62.100 -0.021 0.000 1.012 107 T CB -0.429 68.417 68.868 -0.037 0.000 0.977 107 T HN 0.156 8.396 8.240 -0.000 0.000 0.527 108 N N 1.334 120.028 118.700 -0.009 0.000 2.497 108 N HA 0.374 5.114 4.740 0.000 0.000 0.268 108 N C 0.727 176.213 175.510 -0.041 0.000 1.171 108 N CA -0.242 52.796 53.050 -0.020 0.000 0.948 108 N CB 1.051 39.522 38.487 -0.028 0.000 1.069 108 N HN 0.281 8.661 8.380 -0.000 0.000 0.460 109 I N 0.685 121.226 120.570 -0.047 0.000 2.810 109 I HA 0.121 4.291 4.170 0.000 0.000 0.262 109 I C -0.005 176.071 176.117 -0.070 0.000 1.131 109 I CA 0.399 61.670 61.300 -0.048 0.000 1.453 109 I CB 0.311 38.291 38.000 -0.033 0.000 1.161 109 I HN 0.272 8.482 8.210 -0.000 0.000 0.444 110 L N 0.631 121.804 121.223 -0.082 0.000 2.493 110 L HA 0.420 4.760 4.340 0.000 0.000 0.265 110 L C -1.074 175.680 176.870 -0.194 0.000 0.954 110 L CA -0.059 54.709 54.840 -0.120 0.000 0.844 110 L CB 1.795 43.808 42.059 -0.077 0.000 1.302 110 L HN 0.032 8.262 8.230 -0.000 0.000 0.405 111 Q N 3.723 123.308 119.800 -0.357 0.000 3.825 111 Q HA 0.365 4.705 4.340 0.000 0.000 0.218 111 Q C -1.947 173.445 176.000 -1.014 0.000 0.882 111 Q CA -0.113 55.210 55.803 -0.801 0.000 0.766 111 Q CB 0.801 29.011 28.738 -0.880 0.000 1.497 111 Q HN 0.787 9.057 8.270 -0.000 0.000 0.428 112 D N -0.508 119.515 120.400 -0.628 0.000 2.671 112 D HA 0.608 5.248 4.640 0.000 0.000 0.273 112 D C -1.028 175.235 176.300 -0.062 0.000 1.264 112 D CA -0.057 53.761 54.000 -0.303 0.000 0.788 112 D CB 1.911 42.617 40.800 -0.157 0.000 1.324 112 D HN 0.394 8.764 8.370 -0.000 0.000 0.424 113 G N -0.510 108.139 108.800 -0.251 0.000 2.537 113 G HA2 0.717 4.677 3.960 0.000 0.000 0.323 113 G HA3 0.717 4.677 3.960 0.000 0.000 0.323 113 G C -1.154 173.731 174.900 -0.024 0.000 1.207 113 G CA -0.549 44.312 45.100 -0.397 0.000 0.976 113 G HN 0.608 8.898 8.290 -0.000 0.000 0.487 114 L N -2.687 118.573 121.223 0.062 0.000 2.506 114 L HA 0.726 5.066 4.340 0.000 0.000 0.257 114 L C -0.784 176.143 176.870 0.094 0.000 0.964 114 L CA -1.427 53.470 54.840 0.094 0.000 0.836 114 L CB 1.732 43.819 42.059 0.047 0.000 1.384 114 L HN 0.392 8.622 8.230 -0.000 0.000 0.410 115 K N 2.476 122.923 120.400 0.079 0.000 2.185 115 K HA 0.665 4.985 4.320 0.000 0.000 0.269 115 K C -0.707 175.912 176.600 0.032 0.000 0.987 115 K CA -0.613 55.705 56.287 0.051 0.000 0.865 115 K CB 1.648 34.179 32.500 0.051 0.000 1.090 115 K HN 0.709 8.959 8.250 -0.000 0.000 0.450 116 M N 2.157 121.764 119.600 0.011 0.000 2.228 116 M HA 0.149 4.629 4.480 0.000 0.000 0.326 116 M C 1.296 177.602 176.300 0.011 0.000 1.122 116 M CA 0.419 55.726 55.300 0.011 0.000 1.161 116 M CB 0.712 33.307 32.600 -0.008 0.000 1.437 116 M HN 0.487 8.777 8.290 -0.000 0.000 0.465 117 R N -0.158 120.352 120.500 0.015 0.000 2.156 117 R HA 0.004 4.344 4.340 0.000 0.000 0.207 117 R C 1.975 178.284 176.300 0.015 0.000 1.040 117 R CA 1.453 57.562 56.100 0.014 0.000 1.013 117 R CB -0.082 30.227 30.300 0.014 0.000 0.931 117 R HN 0.871 9.141 8.270 -0.000 0.000 0.465 118 T N -1.875 112.690 114.554 0.018 0.000 3.067 118 T HA 0.108 4.458 4.350 0.000 0.000 0.257 118 T C 0.817 175.531 174.700 0.024 0.000 1.105 118 T CA 0.073 62.186 62.100 0.021 0.000 1.104 118 T CB 0.016 68.900 68.868 0.026 0.000 0.925 118 T HN 0.011 8.251 8.240 -0.000 0.000 0.498 119 V N -2.663 117.264 119.914 0.020 0.000 3.049 119 V HA 0.664 4.784 4.120 0.000 0.000 0.309 119 V C -3.240 172.855 176.094 0.002 0.000 1.148 119 V CA -2.895 59.418 62.300 0.022 0.000 0.990 119 V CB 1.842 33.691 31.823 0.043 0.000 1.039 119 V HN -0.208 7.982 8.190 -0.000 0.000 0.430 120 P HA 0.384 4.804 4.420 -0.000 0.000 0.226 120 P C -0.663 176.620 177.300 -0.028 0.000 1.783 120 P CA 0.053 63.152 63.100 -0.001 0.000 0.980 120 P CB 0.164 31.873 31.700 0.016 0.000 1.967 121 V N 0.836 120.702 119.914 -0.079 0.000 2.604 121 V HA 0.388 4.508 4.120 0.000 0.000 0.305 121 V C 0.274 176.295 176.094 -0.123 0.000 1.043 121 V CA -0.292 61.892 62.300 -0.193 0.000 0.888 121 V CB 2.447 33.993 31.823 -0.463 0.000 0.995 121 V HN 0.087 8.277 8.190 -0.000 0.000 0.429 122 T N 4.811 119.322 114.554 -0.072 0.000 2.794 122 T HA 0.484 4.834 4.350 0.000 0.000 0.280 122 T C -0.382 174.315 174.700 -0.005 0.000 0.987 122 T CA -0.634 61.460 62.100 -0.009 0.000 0.993 122 T CB 1.022 69.906 68.868 0.027 0.000 0.939 122 T HN 0.528 8.768 8.240 -0.000 0.000 0.449 123 K N 2.583 122.990 120.400 0.011 0.000 2.182 123 K HA 0.551 4.871 4.320 0.000 0.000 0.262 123 K C -0.737 175.879 176.600 0.027 0.000 0.957 123 K CA -0.700 55.596 56.287 0.015 0.000 0.842 123 K CB 1.648 34.135 32.500 -0.022 0.000 1.099 123 K HN 0.405 8.655 8.250 -0.000 0.000 0.438 124 L N 4.067 125.303 121.223 0.021 0.000 2.272 124 L HA 0.375 4.715 4.340 0.000 0.000 0.289 124 L C -0.897 176.040 176.870 0.112 0.000 1.032 124 L CA -0.785 54.100 54.840 0.076 0.000 0.810 124 L CB 0.418 42.466 42.059 -0.018 0.000 1.205 124 L HN 0.531 8.761 8.230 -0.000 0.000 0.422 125 Y N 1.358 121.762 120.300 0.173 0.000 2.331 125 Y HA 0.330 4.880 4.550 0.000 0.000 0.338 125 Y C 0.318 176.298 175.900 0.134 0.000 0.992 125 Y CA -0.478 57.693 58.100 0.117 0.000 1.121 125 Y CB 1.996 40.468 38.460 0.020 0.000 1.184 125 Y HN 0.401 8.681 8.280 -0.000 0.000 0.469 126 T N 2.365 117.063 114.554 0.240 0.000 2.892 126 T HA 0.299 4.649 4.350 0.000 0.000 0.311 126 T C -0.721 173.994 174.700 0.026 0.000 1.033 126 T CA -0.765 61.426 62.100 0.152 0.000 0.991 126 T CB 0.896 69.938 68.868 0.290 0.000 0.981 126 T HN 0.481 8.721 8.240 -0.000 0.000 0.457 127 S N 3.807 119.508 115.700 0.003 0.000 2.519 127 S HA 0.754 5.224 4.470 0.000 0.000 0.309 127 S C -0.711 173.858 174.600 -0.052 0.000 1.100 127 S CA -0.859 57.324 58.200 -0.027 0.000 1.059 127 S CB 0.636 63.846 63.200 0.017 0.000 1.008 127 S HN 0.656 8.966 8.310 -0.000 0.000 0.478 128 R N 2.872 123.322 120.500 -0.082 0.000 2.774 128 R HA 0.442 4.782 4.340 0.000 0.000 0.272 128 R C -0.754 175.512 176.300 -0.056 0.000 1.000 128 R CA -0.969 55.089 56.100 -0.070 0.000 0.906 128 R CB 1.385 31.625 30.300 -0.100 0.000 1.227 128 R HN 0.544 8.814 8.270 -0.000 0.000 0.468 129 M N 1.437 121.016 119.600 -0.035 0.000 2.248 129 M HA 0.093 4.573 4.480 0.000 0.000 0.345 129 M C -0.150 176.142 176.300 -0.013 0.000 1.243 129 M CA 0.050 55.340 55.300 -0.017 0.000 1.090 129 M CB 0.638 33.234 32.600 -0.007 0.000 1.683 129 M HN 0.212 8.502 8.290 -0.000 0.000 0.450 130 V N 3.361 123.278 119.914 0.005 0.000 2.385 130 V HA 0.397 4.517 4.120 0.000 0.000 0.269 130 V C 0.441 176.569 176.094 0.057 0.000 1.043 130 V CA -0.202 62.115 62.300 0.028 0.000 0.906 130 V CB 0.534 32.376 31.823 0.030 0.000 0.995 130 V HN 1.040 9.230 8.190 -0.000 0.000 0.467 131 T N 0.764 115.369 114.554 0.085 0.000 2.812 131 T HA 0.305 4.655 4.350 0.000 0.000 0.294 131 T C 0.784 175.598 174.700 0.189 0.000 1.159 131 T CA -0.418 61.748 62.100 0.110 0.000 1.008 131 T CB 1.363 70.281 68.868 0.083 0.000 1.289 131 T HN 0.460 8.700 8.240 -0.000 0.000 0.514 132 N N 0.311 119.139 118.700 0.213 0.000 2.513 132 N HA -0.036 4.704 4.740 0.000 0.000 0.187 132 N C 1.215 177.051 175.510 0.544 0.000 1.056 132 N CA 0.975 54.232 53.050 0.345 0.000 0.907 132 N CB -0.638 38.004 38.487 0.259 0.000 0.954 132 N HN 0.635 9.015 8.380 -0.000 0.000 0.445 133 L N -0.749 120.678 121.223 0.339 0.000 2.693 133 L HA 0.213 4.553 4.340 0.000 0.000 0.235 133 L C 1.080 178.093 176.870 0.238 0.000 1.127 133 L CA 0.712 55.681 54.840 0.216 0.000 0.914 133 L CB 0.142 42.191 42.059 -0.017 0.000 1.193 133 L HN 0.376 8.606 8.230 -0.000 0.000 0.502 134 T N -3.689 111.025 114.554 0.267 0.000 3.040 134 T HA 0.172 4.522 4.350 0.000 0.000 0.266 134 T C 0.559 175.446 174.700 0.311 0.000 1.005 134 T CA -0.121 62.047 62.100 0.114 0.000 0.906 134 T CB -0.243 68.586 68.868 -0.064 0.000 1.082 134 T HN -0.033 8.207 8.240 -0.000 0.000 0.531 135 V N 0.074 120.236 119.914 0.413 0.000 2.843 135 V HA 0.780 4.900 4.120 0.000 0.000 0.305 135 V C 0.886 177.241 176.094 0.434 0.000 1.065 135 V CA 0.318 62.816 62.300 0.330 0.000 1.116 135 V CB 0.269 32.194 31.823 0.169 0.000 0.968 135 V HN 0.833 9.023 8.190 -0.000 0.000 0.487 136 G N 3.333 112.323 108.800 0.317 0.000 2.347 136 G HA2 0.225 4.185 3.960 0.000 0.000 0.224 136 G HA3 0.225 4.185 3.960 0.000 0.000 0.224 136 G C -0.901 174.105 174.900 0.176 0.000 1.318 136 G CA -0.358 44.867 45.100 0.209 0.000 1.016 136 G HN 0.949 9.239 8.290 -0.000 0.000 0.469 137 R N -0.203 120.277 120.500 -0.034 0.000 2.513 137 R HA 0.633 4.973 4.340 0.000 0.000 0.301 137 R C -1.634 174.542 176.300 -0.207 0.000 0.968 137 R CA -0.655 55.313 56.100 -0.219 0.000 0.872 137 R CB 1.118 31.215 30.300 -0.339 0.000 1.177 137 R HN 0.492 8.762 8.270 -0.000 0.000 0.444 138 Y N 2.501 122.777 120.300 -0.040 0.000 2.334 138 Y HA 0.277 4.827 4.550 0.000 0.000 0.336 138 Y C -0.366 175.524 175.900 -0.017 0.000 0.960 138 Y CA -0.698 57.446 58.100 0.074 0.000 1.164 138 Y CB 1.687 40.201 38.460 0.091 0.000 1.155 138 Y HN 0.397 8.677 8.280 -0.000 0.000 0.478 139 D N 2.993 123.453 120.400 0.101 0.000 2.381 139 D HA 0.251 4.891 4.640 0.000 0.000 0.235 139 D C -0.902 175.432 176.300 0.057 0.000 1.068 139 D CA -0.250 53.769 54.000 0.033 0.000 0.832 139 D CB 1.350 42.142 40.800 -0.013 0.000 1.101 139 D HN 0.458 8.828 8.370 -0.000 0.000 0.515 140 c N 3.658 122.288 118.600 0.049 0.000 2.482 140 c HA 0.362 4.932 4.570 0.000 0.000 0.378 140 c C 0.676 174.795 174.090 0.048 0.000 1.284 140 c CA -0.650 55.711 56.329 0.054 0.000 1.826 140 c CB -0.922 41.617 42.510 0.048 0.000 2.473 140 c HN 0.361 8.591 8.230 -0.000 0.000 0.562 141 L N 4.109 125.382 121.223 0.083 0.000 2.331 141 L HA 0.741 5.081 4.340 0.000 0.000 0.275 141 L C 0.162 177.127 176.870 0.158 0.000 1.022 141 L CA -0.500 54.382 54.840 0.070 0.000 0.812 141 L CB 1.103 43.176 42.059 0.023 0.000 1.257 141 L HN 0.645 8.875 8.230 -0.000 0.000 0.435 142 R N 0.754 121.323 120.500 0.114 0.000 2.604 142 R HA 0.482 4.822 4.340 0.000 0.000 0.270 142 R C -1.669 174.676 176.300 0.074 0.000 1.052 142 R CA -0.542 55.645 56.100 0.144 0.000 0.902 142 R CB 1.912 32.326 30.300 0.190 0.000 1.233 142 R HN 0.710 8.980 8.270 -0.000 0.000 0.455 143 c N 2.114 120.751 118.600 0.061 0.000 2.452 143 c HA 0.445 5.015 4.570 0.000 0.000 0.379 143 c C -0.026 174.089 174.090 0.042 0.000 1.275 143 c CA -0.289 56.064 56.329 0.040 0.000 2.056 143 c CB 0.501 43.027 42.510 0.028 0.000 2.506 143 c HN 0.728 8.958 8.230 -0.000 0.000 0.560 144 E N 2.353 122.573 120.200 0.033 0.000 2.263 144 E HA 0.206 4.556 4.350 0.000 0.000 0.268 144 E C -0.559 176.055 176.600 0.022 0.000 0.884 144 E CA -0.428 55.989 56.400 0.030 0.000 0.766 144 E CB 0.637 30.355 29.700 0.029 0.000 1.196 144 E HN 0.697 9.057 8.360 -0.000 0.000 0.416 145 N N 2.989 121.701 118.700 0.020 0.000 2.721 145 N HA -0.230 4.510 4.740 0.000 0.000 0.249 145 N C 0.587 176.106 175.510 0.014 0.000 1.072 145 N CA 1.599 54.658 53.050 0.016 0.000 0.710 145 N CB -1.506 36.989 38.487 0.014 0.000 0.993 145 N HN 0.964 9.344 8.380 -0.000 0.000 0.547 146 G N -2.163 106.646 108.800 0.015 0.000 2.153 146 G HA2 -0.308 3.652 3.960 0.000 0.000 0.252 146 G HA3 -0.308 3.652 3.960 0.000 0.000 0.252 146 G C 0.107 175.015 174.900 0.014 0.000 0.994 146 G CA 0.983 46.091 45.100 0.014 0.000 0.698 146 G HN 0.851 9.141 8.290 -0.000 0.000 0.521 147 T N -0.142 114.422 114.554 0.017 0.000 2.887 147 T HA 0.616 4.966 4.350 0.000 0.000 0.288 147 T C 0.427 175.139 174.700 0.021 0.000 1.021 147 T CA 0.475 62.586 62.100 0.017 0.000 1.000 147 T CB 1.235 70.113 68.868 0.017 0.000 1.034 147 T HN 0.227 8.467 8.240 -0.000 0.000 0.467 148 T N 6.049 120.615 114.554 0.020 0.000 2.834 148 T HA 0.334 4.684 4.350 0.000 0.000 0.298 148 T C -0.117 174.598 174.700 0.024 0.000 0.966 148 T CA -0.373 61.740 62.100 0.022 0.000 1.141 148 T CB 0.214 69.093 68.868 0.018 0.000 0.905 148 T HN 0.348 8.588 8.240 -0.000 0.000 0.535 149 K N 2.941 123.357 120.400 0.026 0.000 2.208 149 K HA 0.556 4.876 4.320 0.000 0.000 0.247 149 K C -0.414 176.194 176.600 0.014 0.000 0.953 149 K CA -0.772 55.529 56.287 0.023 0.000 0.837 149 K CB 2.265 34.777 32.500 0.021 0.000 1.131 149 K HN 0.494 8.744 8.250 -0.000 0.000 0.431 150 I N 3.445 124.017 120.570 0.003 0.000 2.354 150 I HA 0.207 4.377 4.170 0.000 0.000 0.286 150 I C 1.634 177.728 176.117 -0.037 0.000 1.007 150 I CA -0.412 60.879 61.300 -0.014 0.000 1.167 150 I CB 0.951 38.939 38.000 -0.021 0.000 1.320 150 I HN 0.616 8.826 8.210 -0.000 0.000 0.458 151 I N 1.840 122.368 120.570 -0.070 0.000 2.617 151 I HA 0.225 4.395 4.170 0.000 0.000 0.256 151 I C 0.612 176.680 176.117 -0.082 0.000 1.167 151 I CA 0.899 62.132 61.300 -0.111 0.000 1.469 151 I CB 0.151 38.005 38.000 -0.242 0.000 1.098 151 I HN 0.577 8.787 8.210 -0.000 0.000 0.436 152 E N 1.342 121.513 120.200 -0.048 0.000 2.335 152 E HA 0.436 4.786 4.350 0.000 0.000 0.280 152 E C -1.146 175.477 176.600 0.037 0.000 0.918 152 E CA -0.841 55.570 56.400 0.019 0.000 0.765 152 E CB 2.006 31.738 29.700 0.054 0.000 1.218 152 E HN 0.261 8.621 8.360 -0.000 0.000 0.425 153 R N 4.346 124.877 120.500 0.052 0.000 2.480 153 R HA 0.523 4.863 4.340 0.000 0.000 0.306 153 R C -1.876 174.384 176.300 -0.068 0.000 0.958 153 R CA -0.737 55.338 56.100 -0.043 0.000 0.861 153 R CB 1.128 31.354 30.300 -0.124 0.000 1.171 153 R HN 0.427 8.697 8.270 -0.000 0.000 0.445 154 L N 4.615 125.733 121.223 -0.174 0.000 2.349 154 L HA 0.459 4.799 4.340 0.000 0.000 0.278 154 L C -1.823 174.866 176.870 -0.301 0.000 0.996 154 L CA -0.491 54.121 54.840 -0.380 0.000 0.825 154 L CB 1.277 43.094 42.059 -0.403 0.000 1.243 154 L HN 0.576 8.806 8.230 -0.000 0.000 0.412 155 Y N 3.963 124.127 120.300 -0.226 0.000 2.308 155 Y HA 0.590 5.140 4.550 0.000 0.000 0.329 155 Y C 0.003 175.787 175.900 -0.194 0.000 1.111 155 Y CA -0.306 57.716 58.100 -0.130 0.000 1.179 155 Y CB 1.741 40.119 38.460 -0.136 0.000 1.201 155 Y HN 0.340 8.620 8.280 -0.000 0.000 0.483 156 V N 5.664 125.634 119.914 0.094 0.000 2.448 156 V HA 0.593 4.713 4.120 0.000 0.000 0.295 156 V C -0.254 175.841 176.094 0.002 0.000 1.025 156 V CA -0.962 61.340 62.300 0.003 0.000 0.859 156 V CB 1.472 33.356 31.823 0.101 0.000 0.988 156 V HN 0.669 8.859 8.190 -0.000 0.000 0.431 157 R N 3.316 123.755 120.500 -0.101 0.000 2.854 157 R HA 0.643 4.983 4.340 0.000 0.000 0.271 157 R C -0.787 175.540 176.300 0.044 0.000 0.994 157 R CA -0.950 55.120 56.100 -0.050 0.000 0.945 157 R CB 2.073 32.273 30.300 -0.167 0.000 1.194 157 R HN 0.542 8.812 8.270 -0.000 0.000 0.476 158 L N 0.451 121.736 121.223 0.102 0.000 2.473 158 L HA 0.502 4.842 4.340 0.000 0.000 0.268 158 L C 1.065 178.028 176.870 0.155 0.000 1.215 158 L CA 0.392 55.303 54.840 0.118 0.000 0.823 158 L CB 0.379 42.507 42.059 0.115 0.000 1.099 158 L HN 0.860 9.090 8.230 -0.000 0.000 0.483 159 G N 0.101 108.975 108.800 0.124 0.000 2.337 159 G HA2 0.106 4.066 3.960 0.000 0.000 0.298 159 G HA3 0.106 4.066 3.960 0.000 0.000 0.298 159 G C -1.586 173.373 174.900 0.097 0.000 1.335 159 G CA -0.519 44.652 45.100 0.118 0.000 0.875 159 G HN 0.518 8.808 8.290 -0.000 0.000 0.579 160 S N -0.469 115.281 115.700 0.084 0.000 2.465 160 S HA 0.371 4.841 4.470 0.000 0.000 0.279 160 S C 1.444 176.106 174.600 0.103 0.000 1.201 160 S CA -0.437 57.818 58.200 0.092 0.000 1.053 160 S CB 0.943 64.198 63.200 0.092 0.000 0.953 160 S HN 1.018 9.328 8.310 -0.000 0.000 0.488 161 L N 6.355 127.647 121.223 0.115 0.000 2.017 161 L HA 0.141 4.481 4.340 0.000 0.000 0.208 161 L C 0.529 177.483 176.870 0.140 0.000 1.073 161 L CA 1.616 56.526 54.840 0.117 0.000 0.745 161 L CB -0.826 41.300 42.059 0.112 0.000 0.894 161 L HN 0.842 9.072 8.230 -0.000 0.000 0.432 162 Y N 1.842 122.161 120.300 0.032 0.000 2.537 162 Y HA 0.221 4.771 4.550 0.000 0.000 0.339 162 Y C -1.585 174.329 175.900 0.024 0.000 1.066 162 Y CA -2.902 55.214 58.100 0.026 0.000 1.357 162 Y CB -0.345 38.128 38.460 0.021 0.000 1.175 162 Y HN 0.186 8.466 8.280 -0.000 0.000 0.525 163 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 163 P CA 0.000 62.981 63.100 -0.199 0.000 0.800 163 P CB 0.000 31.557 31.700 -0.238 0.000 0.726