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 1o2k_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.189 4.170 0.032 0.000 0.288 16 I C 0.000 176.113 176.117 -0.007 0.000 1.063 16 I CA 0.000 61.301 61.300 0.001 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 17 V N 5.275 125.195 119.914 0.010 0.000 2.483 17 V HA 0.256 4.499 4.120 -0.014 -0.131 0.295 17 V C 0.510 176.606 176.094 0.002 0.000 1.035 17 V CA -1.645 60.656 62.300 0.001 0.000 0.896 17 V CB 1.401 33.230 31.823 0.011 0.000 0.986 17 V HN 0.830 9.039 8.190 0.032 0.000 0.447 18 G N 6.496 115.292 108.800 -0.008 0.000 2.153 18 G HA2 -0.390 3.562 3.960 -0.013 0.000 0.252 18 G HA3 -0.390 3.728 3.960 -0.028 -0.175 0.252 18 G C -0.680 174.226 174.900 0.009 0.000 0.994 18 G CA 0.512 45.605 45.100 -0.012 0.000 0.698 18 G HN 0.781 9.065 8.290 -0.011 0.000 0.521 19 G N -1.149 107.654 108.800 0.005 0.000 2.671 19 G HA2 0.522 4.530 3.960 0.081 0.000 0.275 19 G HA3 0.522 4.505 3.960 -0.103 -0.085 0.275 19 G C -1.726 173.206 174.900 0.052 0.000 1.368 19 G CA -1.084 44.016 45.100 -0.000 0.000 1.044 19 G HN -0.700 7.542 8.290 -0.014 0.040 0.543 20 Y N -5.943 114.337 120.300 -0.032 0.000 2.665 20 Y HA 0.420 4.952 4.550 -0.029 0.000 0.336 20 Y C -1.672 174.202 175.900 -0.044 0.000 1.085 20 Y CA -2.973 55.108 58.100 -0.033 0.000 1.096 20 Y CB 1.085 39.529 38.460 -0.027 0.000 1.301 20 Y HN 0.349 8.226 8.280 -0.672 0.000 0.493 21 T N 2.034 116.644 114.554 0.094 0.000 2.834 21 T HA 0.096 4.514 4.350 -0.100 -0.128 0.298 21 T C 0.189 174.913 174.700 0.040 0.000 0.966 21 T CA 1.007 63.107 62.100 -0.000 0.000 1.141 21 T CB 0.072 68.965 68.868 0.041 0.000 0.905 21 T HN -0.006 8.343 8.240 0.183 0.000 0.535 22 c N 6.173 124.706 118.600 -0.111 0.000 2.429 22 c HA -0.097 4.476 4.570 0.005 0.000 0.277 22 c C 0.191 174.300 174.090 0.031 0.000 1.262 22 c CA 0.763 57.056 56.329 -0.060 0.000 1.733 22 c CB 0.243 42.647 42.510 -0.177 0.000 2.010 22 c HN 0.013 8.126 8.230 -0.195 0.000 0.483 23 G N -2.039 106.764 108.800 0.005 0.000 2.885 23 G HA2 -0.168 3.808 3.960 0.026 0.000 0.685 23 G HA3 -0.168 3.810 3.960 0.030 0.000 0.685 23 G C -1.852 173.049 174.900 0.001 0.000 1.216 23 G CA -0.805 44.306 45.100 0.020 0.000 0.790 23 G HN -0.351 7.926 8.290 -0.022 0.000 0.631 24 A N 3.655 126.484 122.820 0.013 0.000 2.567 24 A HA -0.214 4.359 4.320 0.025 -0.238 0.240 24 A C -0.327 177.262 177.584 0.008 0.000 1.053 24 A CA 1.032 53.081 52.037 0.019 0.000 0.755 24 A CB 0.027 19.046 19.000 0.031 0.000 0.978 24 A HN 0.333 8.495 8.150 0.020 0.000 0.507 25 N N -2.698 116.004 118.700 0.003 0.000 2.714 25 N HA -0.376 4.354 4.740 -0.016 0.000 0.250 25 N C 0.447 175.937 175.510 -0.034 0.000 1.117 25 N CA 1.702 54.745 53.050 -0.011 0.000 0.719 25 N CB -1.088 37.404 38.487 0.008 0.000 1.081 25 N HN 0.572 8.961 8.380 0.016 0.000 0.557 26 T N -3.514 111.012 114.554 -0.047 0.000 3.113 26 T HA 0.003 4.344 4.350 -0.015 0.000 0.256 26 T C -0.009 174.637 174.700 -0.090 0.000 1.131 26 T CA 2.038 64.115 62.100 -0.038 0.000 1.074 26 T CB 0.411 69.272 68.868 -0.012 0.000 0.944 26 T HN -0.472 7.704 8.240 -0.050 0.034 0.516 27 V N 2.466 122.265 119.914 -0.191 0.000 2.313 27 V HA 0.371 4.236 4.120 -0.425 0.000 0.262 27 V C -1.489 174.302 176.094 -0.505 0.000 1.011 27 V CA -3.378 58.655 62.300 -0.444 0.000 0.858 27 V CB 0.650 32.188 31.823 -0.476 0.000 1.104 27 V HN -0.522 7.499 8.190 -0.161 0.072 0.456 28 P HA 0.059 4.535 4.420 -0.084 -0.106 0.226 28 P C 0.106 177.359 177.300 -0.078 0.000 1.153 28 P CA 1.594 64.623 63.100 -0.119 0.000 0.777 28 P CB 0.134 31.838 31.700 0.006 0.000 0.794 29 Y N -6.053 114.273 120.300 0.044 0.000 2.466 29 Y HA 0.478 5.199 4.550 0.059 -0.136 0.272 29 Y C -0.572 175.367 175.900 0.065 0.000 1.169 29 Y CA -3.253 54.879 58.100 0.053 0.000 1.285 29 Y CB -1.300 37.187 38.460 0.045 0.000 1.078 29 Y HN -0.419 7.274 8.280 -0.890 0.053 0.523 30 Q N 2.796 122.468 119.800 -0.213 0.000 2.313 30 Q HA 0.136 4.650 4.340 0.091 -0.119 0.266 30 Q C -0.363 175.727 176.000 0.150 0.000 0.989 30 Q CA 0.302 56.091 55.803 -0.024 0.000 0.890 30 Q CB 1.032 29.649 28.738 -0.202 0.000 1.200 30 Q HN -0.718 7.197 8.270 -0.493 0.058 0.396 31 V N 0.928 120.968 119.914 0.210 0.000 3.074 31 V HA 0.823 5.184 4.120 0.196 -0.123 0.314 31 V C -2.029 174.209 176.094 0.240 0.000 1.117 31 V CA -2.984 59.430 62.300 0.190 0.000 1.014 31 V CB 4.131 36.013 31.823 0.099 0.000 1.057 31 V HN 0.273 8.582 8.190 0.199 0.000 0.438 32 S N 0.421 116.159 115.700 0.062 0.000 2.482 32 S HA 0.442 5.128 4.470 0.177 -0.110 0.303 32 S C -1.128 173.339 174.600 -0.220 0.000 1.091 32 S CA -2.267 55.909 58.200 -0.041 0.000 1.057 32 S CB 1.681 64.650 63.200 -0.385 0.000 1.031 32 S HN -0.190 8.115 8.310 -0.010 0.000 0.485 33 L N 6.447 127.397 121.223 -0.456 0.000 2.289 33 L HA 0.478 4.706 4.340 -0.380 -0.116 0.285 33 L C -1.558 174.838 176.870 -0.789 0.000 1.049 33 L CA -0.788 53.666 54.840 -0.643 0.000 0.804 33 L CB 1.242 42.733 42.059 -0.946 0.000 1.195 33 L HN 0.798 8.697 8.230 -0.550 0.000 0.428 38 G N 0.620 109.325 108.800 -0.158 0.000 2.179 38 G HA2 -0.330 3.617 3.960 -0.021 0.000 0.220 38 G HA3 -0.330 3.689 3.960 0.098 0.000 0.220 38 G C -1.905 173.080 174.900 0.142 0.000 0.990 38 G CA 0.210 45.319 45.100 0.015 0.000 0.646 38 G HN 0.340 8.824 8.290 -0.194 -0.310 0.517 39 Y N -7.403 112.873 120.300 -0.040 0.000 2.732 39 Y HA 0.204 4.717 4.550 -0.062 0.000 0.342 39 Y C -2.495 173.398 175.900 -0.013 0.000 1.203 39 Y CA -3.598 54.480 58.100 -0.037 0.000 1.092 39 Y CB 0.745 39.187 38.460 -0.031 0.000 1.345 39 Y HN -1.255 6.828 8.280 -0.370 -0.026 0.458 40 H N 2.523 121.550 119.070 -0.073 0.000 2.722 40 H HA 0.077 4.583 4.556 -0.355 -0.163 0.328 40 H C -0.467 174.830 175.328 -0.053 0.000 1.067 40 H CA -0.371 55.551 56.048 -0.210 0.000 1.447 40 H CB 0.521 30.144 29.762 -0.231 0.000 1.469 40 H HN 0.293 8.678 8.280 0.176 0.000 0.544 41 F N 2.059 121.561 119.950 -0.746 0.000 2.819 41 F HA 0.311 4.729 4.527 -0.181 0.000 0.325 41 F C -1.474 174.052 175.800 -0.456 0.000 1.041 41 F CA -0.535 57.217 58.000 -0.414 0.000 1.184 41 F CB 1.708 40.531 39.000 -0.295 0.000 1.019 41 F HN -0.049 7.487 8.300 -1.273 0.000 0.590 42 c N -1.590 116.313 118.600 -1.162 0.000 3.321 42 c HA 0.357 4.791 4.570 -0.227 0.000 0.329 42 c C -1.627 172.245 174.090 -0.364 0.000 1.394 42 c CA -0.221 55.785 56.329 -0.538 0.000 1.291 42 c CB 4.082 46.373 42.510 -0.363 0.000 1.606 42 c HN -0.825 6.394 8.230 -1.685 0.000 0.463 43 G N -1.016 107.768 108.800 -0.026 0.000 2.613 43 G HA2 0.803 5.038 3.960 0.226 0.000 0.303 43 G HA3 0.803 4.892 3.960 0.215 0.000 0.303 43 G C -2.474 172.452 174.900 0.042 0.000 1.312 43 G CA -1.618 43.563 45.100 0.136 0.000 1.036 43 G HN 0.626 8.914 8.290 -0.004 0.000 0.513 44 G N -4.088 104.771 108.800 0.098 0.000 2.506 44 G HA2 0.506 4.791 3.960 0.072 0.000 0.292 44 G HA3 0.506 4.497 3.960 0.051 0.000 0.292 44 G C -2.948 172.036 174.900 0.138 0.000 1.425 44 G CA 0.353 45.503 45.100 0.083 0.000 0.788 44 G HN -0.601 7.783 8.290 0.156 0.000 0.490 45 S N -0.427 115.360 115.700 0.145 0.000 2.532 45 S HA 0.768 5.584 4.470 0.265 -0.186 0.299 45 S C -1.239 173.465 174.600 0.172 0.000 1.105 45 S CA -0.927 57.392 58.200 0.198 0.000 1.018 45 S CB 3.664 66.968 63.200 0.173 0.000 1.021 45 S HN 0.509 8.892 8.310 0.122 0.000 0.483 46 L N 6.280 127.622 121.223 0.198 0.000 2.361 46 L HA 0.105 4.643 4.340 0.148 -0.109 0.278 46 L C -0.714 176.243 176.870 0.145 0.000 1.113 46 L CA 0.035 54.973 54.840 0.162 0.000 0.849 46 L CB 0.839 42.993 42.059 0.159 0.000 1.155 46 L HN 0.409 8.795 8.230 0.259 0.000 0.452 47 I N 0.169 120.821 120.570 0.137 0.000 4.035 47 I HA 0.466 4.821 4.170 0.072 -0.143 0.321 47 I C -0.875 175.303 176.117 0.103 0.000 1.289 47 I CA -0.464 60.896 61.300 0.099 0.000 1.236 47 I CB 1.021 39.071 38.000 0.083 0.000 1.076 47 I HN 0.383 8.692 8.210 0.165 0.000 0.418 48 N N -2.216 116.568 118.700 0.140 0.000 3.106 48 N HA 0.167 4.965 4.740 0.097 0.000 0.253 48 N C -0.571 175.018 175.510 0.132 0.000 1.506 48 N CA -0.633 52.495 53.050 0.130 0.000 0.876 48 N CB 0.967 39.542 38.487 0.147 0.000 1.452 48 N HN -0.897 7.583 8.380 0.166 0.000 0.542 49 S N -3.551 112.213 115.700 0.107 0.000 2.555 49 S HA -0.235 4.278 4.470 0.071 0.000 0.230 49 S C 0.394 175.027 174.600 0.054 0.000 0.978 49 S CA 2.317 60.562 58.200 0.075 0.000 0.934 49 S CB -0.352 62.882 63.200 0.055 0.000 0.766 49 S HN 0.479 8.849 8.310 0.101 0.000 0.533 50 Q N -0.618 119.229 119.800 0.078 0.000 2.140 50 Q HA 0.348 4.627 4.340 -0.101 0.000 0.227 50 Q C -2.216 173.655 176.000 -0.215 0.000 0.798 50 Q CA -0.377 55.376 55.803 -0.083 0.000 0.987 50 Q CB 2.889 31.564 28.738 -0.105 0.000 1.161 50 Q HN 0.161 8.836 8.270 0.174 -0.300 0.480 51 W N -2.121 119.187 121.300 0.013 0.000 2.915 51 W HA 0.673 5.527 4.660 0.010 -0.188 0.337 51 W C -1.423 175.111 176.519 0.025 0.000 1.102 51 W CA -1.059 56.292 57.345 0.011 0.000 1.224 51 W CB 3.828 33.286 29.460 -0.004 0.000 1.416 51 W HN -0.492 7.955 8.180 0.261 -0.110 0.503 52 V N 1.077 121.147 119.914 0.260 0.000 2.823 52 V HA 0.771 5.171 4.120 0.170 -0.177 0.312 52 V C -1.493 174.715 176.094 0.189 0.000 1.072 52 V CA -1.703 60.703 62.300 0.177 0.000 0.937 52 V CB 3.802 35.687 31.823 0.103 0.000 1.013 52 V HN 0.647 9.003 8.190 0.276 0.000 0.430 53 V N 5.570 125.574 119.914 0.151 0.000 2.513 53 V HA 0.742 5.122 4.120 0.162 -0.163 0.299 53 V C -1.247 174.906 176.094 0.098 0.000 1.035 53 V CA -1.325 61.057 62.300 0.137 0.000 0.889 53 V CB 2.159 34.057 31.823 0.124 0.000 0.988 53 V HN 0.595 8.869 8.190 0.139 0.000 0.440 54 S N 3.990 119.735 115.700 0.073 0.000 2.973 54 S HA 0.562 5.258 4.470 0.034 -0.206 0.317 54 S C -2.047 172.543 174.600 -0.018 0.000 1.196 54 S CA -2.534 55.680 58.200 0.025 0.000 0.894 54 S CB 2.426 65.627 63.200 0.003 0.000 1.292 54 S HN 0.553 8.917 8.310 0.089 0.000 0.614 55 A N -0.954 121.812 122.820 -0.089 0.000 2.312 55 A HA 0.457 4.864 4.320 -0.109 -0.152 0.328 55 A C 0.608 178.064 177.584 -0.215 0.000 1.158 55 A CA -1.646 50.297 52.037 -0.158 0.000 0.821 55 A CB 1.555 20.404 19.000 -0.252 0.000 1.170 55 A HN 0.206 8.292 8.150 -0.106 0.000 0.490 56 A N 3.488 126.129 122.820 -0.298 0.000 1.972 56 A HA -0.271 3.896 4.320 -0.254 0.000 0.219 56 A C 1.515 178.858 177.584 -0.402 0.000 1.169 56 A CA 2.982 54.725 52.037 -0.490 0.000 0.635 56 A CB -0.325 17.982 19.000 -1.155 0.000 0.810 56 A HN 0.696 8.673 8.150 -0.276 0.008 0.446 57 H N -5.477 113.441 119.070 -0.254 0.000 2.556 57 H HA -0.028 4.556 4.556 0.046 0.000 0.268 57 H C 0.162 175.537 175.328 0.079 0.000 0.996 57 H CA 1.112 57.165 56.048 0.008 0.000 1.157 57 H CB -1.033 28.808 29.762 0.131 0.000 1.355 57 H HN 0.022 8.479 8.280 -0.200 -0.297 0.597 58 c N -1.040 117.473 118.600 -0.146 0.000 2.754 58 c HA -0.018 4.624 4.570 0.121 0.000 0.276 58 c C -1.088 173.074 174.090 0.120 0.000 1.264 58 c CA 0.163 56.512 56.329 0.034 0.000 1.700 58 c CB -1.614 40.883 42.510 -0.022 0.000 1.885 58 c HN -0.616 7.297 8.230 -0.229 0.179 0.607 59 Y N 2.331 122.628 120.300 -0.005 0.000 2.480 59 Y HA -0.147 4.420 4.550 0.027 0.000 0.338 59 Y C -1.593 174.282 175.900 -0.042 0.000 1.220 59 Y CA 1.358 59.456 58.100 -0.003 0.000 1.430 59 Y CB 1.159 39.604 38.460 -0.025 0.000 1.311 59 Y HN -0.515 7.668 8.280 0.144 0.183 0.575 60 K N 4.995 124.523 120.400 -1.453 0.000 2.772 60 K HA 0.164 3.990 4.320 -0.823 0.000 0.292 60 K C -2.590 173.481 176.600 -0.882 0.000 1.049 60 K CA -1.002 54.691 56.287 -0.990 0.000 0.846 60 K CB 1.983 34.114 32.500 -0.615 0.000 1.514 60 K HN -0.038 7.186 8.250 -1.710 0.000 0.373 61 S N -0.478 114.946 115.700 -0.460 0.000 2.713 61 S HA 0.138 4.460 4.470 -0.246 0.000 0.283 61 S C 0.816 175.298 174.600 -0.196 0.000 1.161 61 S CA -0.440 57.613 58.200 -0.245 0.000 0.999 61 S CB 1.264 64.411 63.200 -0.088 0.000 1.039 61 S HN -0.184 7.922 8.310 -0.339 0.000 0.548 62 G N 0.034 108.758 108.800 -0.128 0.000 2.248 62 G HA2 -0.244 3.668 3.960 -0.080 0.000 0.263 62 G HA3 -0.244 3.648 3.960 -0.114 0.000 0.263 62 G C -1.656 173.176 174.900 -0.113 0.000 1.082 62 G CA 0.114 45.149 45.100 -0.108 0.000 0.863 62 G HN 0.315 8.546 8.290 -0.098 0.000 0.495 63 I N -1.373 119.141 120.570 -0.094 0.000 2.428 63 I HA 0.124 4.399 4.170 -0.012 -0.113 0.296 63 I C -1.745 174.331 176.117 -0.069 0.000 0.985 63 I CA -0.891 60.380 61.300 -0.047 0.000 1.260 63 I CB 1.260 39.252 38.000 -0.012 0.000 1.389 63 I HN -0.500 7.654 8.210 -0.095 0.000 0.484 64 Q N 5.956 125.699 119.800 -0.096 0.000 3.304 64 Q HA 0.575 4.960 4.340 -0.085 -0.096 0.269 64 Q C -1.670 174.240 176.000 -0.150 0.000 1.025 64 Q CA -1.980 53.751 55.803 -0.120 0.000 0.836 64 Q CB 4.329 32.964 28.738 -0.171 0.000 1.831 64 Q HN 0.419 8.631 8.270 -0.097 0.000 0.455 65 R N -2.319 118.124 120.500 -0.094 0.000 3.072 65 R HA 0.331 4.927 4.340 0.164 -0.157 0.293 65 R C -1.483 174.854 176.300 0.061 0.000 1.210 65 R CA 0.079 56.169 56.100 -0.016 0.000 1.121 65 R CB 2.018 32.156 30.300 -0.271 0.000 1.286 65 R HN 0.547 8.740 8.270 -0.128 0.000 0.393 70 E N -0.378 119.920 120.200 0.163 0.000 2.319 70 E HA 0.106 4.533 4.350 0.129 0.000 0.268 70 E C -1.704 175.088 176.600 0.319 0.000 1.050 70 E CA 0.346 56.856 56.400 0.184 0.000 0.878 70 E CB 1.340 31.071 29.700 0.051 0.000 1.066 70 E HN -0.598 7.836 8.360 0.185 0.036 0.406 71 D N 1.501 122.064 120.400 0.272 0.000 2.912 71 D HA 0.069 4.922 4.640 0.356 0.000 0.170 71 D C -1.065 175.438 176.300 0.338 0.000 1.484 71 D CA 0.924 55.097 54.000 0.289 0.000 1.542 71 D CB 2.422 43.306 40.800 0.139 0.000 1.344 71 D HN 0.119 8.595 8.370 0.176 0.000 0.222 72 N N 1.249 120.055 118.700 0.176 0.000 2.405 72 N HA 0.156 5.139 4.740 0.179 -0.136 0.260 72 N C 2.168 177.687 175.510 0.015 0.000 1.152 72 N CA -0.323 52.800 53.050 0.123 0.000 0.948 72 N CB 0.423 38.955 38.487 0.075 0.000 1.111 72 N HN -0.415 8.326 8.380 0.130 -0.283 0.485 73 I N -0.028 120.462 120.570 -0.133 0.000 3.291 73 I HA -0.053 4.105 4.170 -0.283 -0.158 0.279 73 I C -0.343 175.685 176.117 -0.147 0.000 1.294 73 I CA 1.225 62.342 61.300 -0.306 0.000 1.428 73 I CB -0.694 36.888 38.000 -0.697 0.000 1.070 73 I HN 0.629 8.778 8.210 -0.102 0.000 0.478 74 N N -1.921 116.741 118.700 -0.062 0.000 2.205 74 N HA 0.141 4.862 4.740 -0.033 0.000 0.201 74 N C -0.942 174.573 175.510 0.009 0.000 1.128 74 N CA 0.206 53.242 53.050 -0.022 0.000 0.867 74 N CB 1.800 40.285 38.487 -0.004 0.000 0.996 74 N HN 0.017 8.670 8.380 -0.038 -0.295 0.503 75 V N 0.517 120.443 119.914 0.019 0.000 2.709 75 V HA 0.123 4.261 4.120 0.030 0.000 0.308 75 V C -1.166 174.953 176.094 0.041 0.000 1.062 75 V CA -0.987 61.331 62.300 0.030 0.000 0.901 75 V CB 3.498 35.337 31.823 0.028 0.000 1.003 75 V HN -0.713 7.508 8.190 0.011 -0.024 0.425 76 V N 7.670 127.606 119.914 0.037 0.000 2.389 76 V HA -0.029 4.350 4.120 0.040 -0.235 0.264 76 V C -0.121 175.975 176.094 0.003 0.000 1.049 76 V CA 0.385 62.697 62.300 0.019 0.000 0.932 76 V CB 0.067 31.883 31.823 -0.013 0.000 1.011 76 V HN 0.413 8.621 8.190 0.032 0.000 0.475 77 E N 7.935 128.139 120.200 0.006 0.000 2.489 77 E HA 0.140 4.493 4.350 0.004 0.000 0.204 77 E C -0.229 176.367 176.600 -0.007 0.000 1.006 77 E CA -0.454 55.949 56.400 0.006 0.000 0.936 77 E CB 0.707 30.420 29.700 0.022 0.000 1.002 77 E HN 0.296 9.070 8.360 0.013 -0.406 0.488 78 G N 0.187 108.973 108.800 -0.023 0.000 2.576 78 G HA2 -0.217 3.708 3.960 -0.059 0.000 0.686 78 G HA3 -0.217 3.728 3.960 -0.025 0.000 0.686 78 G C -1.708 173.176 174.900 -0.026 0.000 1.242 78 G CA -0.676 44.403 45.100 -0.035 0.000 0.819 78 G HN -0.408 8.094 8.290 -0.029 -0.229 0.655 79 N N -3.578 115.100 118.700 -0.037 0.000 2.955 79 N HA -0.254 4.473 4.740 -0.021 0.000 0.199 79 N C -0.988 174.508 175.510 -0.025 0.000 0.939 79 N CA 1.268 54.306 53.050 -0.019 0.000 1.028 79 N CB -0.266 38.225 38.487 0.006 0.000 1.000 79 N HN 0.153 8.502 8.380 -0.052 0.000 0.577 80 E N -0.717 119.447 120.200 -0.060 0.000 2.373 80 E HA 0.117 4.720 4.350 0.028 -0.237 0.267 80 E C -0.150 176.358 176.600 -0.153 0.000 1.032 80 E CA 0.753 57.109 56.400 -0.073 0.000 0.889 80 E CB 0.439 30.035 29.700 -0.175 0.000 0.984 80 E HN -0.180 8.034 8.360 -0.076 0.100 0.425 81 Q N 2.265 122.044 119.800 -0.036 0.000 2.292 81 Q HA 0.267 4.526 4.340 -0.135 0.000 0.270 81 Q C -1.464 174.641 176.000 0.175 0.000 1.024 81 Q CA -1.202 54.583 55.803 -0.029 0.000 0.768 81 Q CB 2.822 31.568 28.738 0.014 0.000 1.250 81 Q HN 0.200 8.524 8.270 0.091 0.000 0.447 82 F N 3.498 123.427 119.950 -0.036 0.000 2.411 82 F HA 0.465 5.148 4.527 -0.053 -0.188 0.352 82 F C -0.088 175.685 175.800 -0.044 0.000 1.123 82 F CA -2.930 55.043 58.000 -0.046 0.000 1.044 82 F CB 0.992 39.963 39.000 -0.048 0.000 1.135 82 F HN 0.359 8.639 8.300 -0.034 0.000 0.461 83 I N 3.843 124.489 120.570 0.127 0.000 2.582 83 I HA 0.247 4.444 4.170 0.046 0.000 0.292 83 I C -1.307 174.810 176.117 0.000 0.000 1.066 83 I CA -1.441 59.885 61.300 0.043 0.000 1.053 83 I CB 4.113 42.123 38.000 0.016 0.000 1.241 83 I HN 0.791 9.063 8.210 0.102 0.000 0.421 84 S N 4.818 120.508 115.700 -0.016 0.000 2.617 84 S HA 0.130 4.574 4.470 -0.045 0.000 0.269 84 S C -0.515 174.050 174.600 -0.058 0.000 1.292 84 S CA 0.555 58.732 58.200 -0.038 0.000 1.010 84 S CB 1.118 64.298 63.200 -0.034 0.000 0.944 84 S HN 0.352 8.657 8.310 -0.009 0.000 0.536 85 A N 2.233 125.014 122.820 -0.064 0.000 2.363 85 A HA 0.222 4.578 4.320 -0.104 -0.099 0.270 85 A C -0.549 176.986 177.584 -0.082 0.000 1.121 85 A CA -0.480 51.508 52.037 -0.081 0.000 0.800 85 A CB 0.762 19.726 19.000 -0.060 0.000 1.052 85 A HN -0.281 7.833 8.150 -0.059 0.000 0.493 86 S N 3.369 118.998 115.700 -0.118 0.000 2.387 86 S HA 0.013 4.440 4.470 -0.072 0.000 0.221 86 S C 0.481 175.039 174.600 -0.070 0.000 1.041 86 S CA 1.379 59.518 58.200 -0.100 0.000 0.959 86 S CB 0.868 63.982 63.200 -0.144 0.000 0.843 86 S HN 0.761 8.857 8.310 -0.169 0.112 0.488 87 K N -0.573 119.777 120.400 -0.083 0.000 2.536 87 K HA 0.313 4.651 4.320 0.030 0.000 0.269 87 K C -2.111 174.513 176.600 0.039 0.000 0.965 87 K CA -0.802 55.484 56.287 -0.002 0.000 0.860 87 K CB 3.214 35.723 32.500 0.015 0.000 1.423 87 K HN -0.718 7.440 8.250 -0.153 0.000 0.438 88 S N 0.959 116.738 115.700 0.133 0.000 2.502 88 S HA 0.742 5.475 4.470 0.170 -0.160 0.304 88 S C -0.731 173.989 174.600 0.200 0.000 1.097 88 S CA -0.477 57.845 58.200 0.203 0.000 1.045 88 S CB 2.239 65.644 63.200 0.342 0.000 1.019 88 S HN 0.194 8.595 8.310 0.150 0.000 0.481 89 I N 7.579 128.279 120.570 0.217 0.000 2.405 89 I HA 0.103 4.358 4.170 0.141 0.000 0.280 89 I C -1.488 174.763 176.117 0.223 0.000 1.027 89 I CA -0.846 60.575 61.300 0.202 0.000 1.161 89 I CB 1.245 39.381 38.000 0.225 0.000 1.300 89 I HN 1.055 9.306 8.210 0.248 0.109 0.463 90 V N 7.739 127.718 119.914 0.109 0.000 2.775 90 V HA -0.173 3.987 4.120 0.066 0.000 0.299 90 V C -0.156 176.019 176.094 0.134 0.000 1.062 90 V CA -0.472 61.863 62.300 0.057 0.000 1.063 90 V CB 0.881 32.649 31.823 -0.092 0.000 0.994 90 V HN 0.336 8.543 8.190 0.029 0.000 0.483 91 H N 8.317 127.372 119.070 -0.025 0.000 3.034 91 H HA -0.034 4.355 4.556 -0.279 0.000 0.324 91 H C -0.440 174.872 175.328 -0.027 0.000 1.015 91 H CA 0.469 56.391 56.048 -0.210 0.000 1.429 91 H CB 1.478 30.982 29.762 -0.429 0.000 1.429 91 H HN -0.292 8.026 8.280 0.065 0.000 0.585 92 P HA -0.078 4.361 4.420 0.033 0.000 0.220 92 P C -0.400 176.964 177.300 0.107 0.000 1.148 92 P CA 1.357 64.446 63.100 -0.017 0.000 0.803 92 P CB 0.398 32.066 31.700 -0.054 0.000 0.782 93 S N -3.535 112.344 115.700 0.298 0.000 2.582 93 S HA 0.038 4.573 4.470 0.109 0.000 0.234 93 S C -0.615 174.090 174.600 0.174 0.000 0.961 93 S CA 0.012 58.343 58.200 0.218 0.000 0.953 93 S CB 0.367 63.687 63.200 0.199 0.000 0.800 93 S HN -0.361 8.258 8.310 0.569 0.032 0.471 94 Y N 3.535 123.890 120.300 0.092 0.000 2.511 94 Y HA -0.299 4.404 4.550 -0.047 -0.182 0.332 94 Y C -0.874 175.021 175.900 -0.009 0.000 1.177 94 Y CA 0.777 58.880 58.100 0.005 0.000 1.422 94 Y CB 0.845 39.316 38.460 0.018 0.000 1.271 94 Y HN -0.848 7.559 8.280 0.357 0.087 0.550 95 N N 7.198 125.510 118.700 -0.646 0.000 2.518 95 N HA 0.222 4.686 4.740 -0.460 0.000 0.254 95 N C -0.099 174.897 175.510 -0.858 0.000 0.979 95 N CA -1.389 51.317 53.050 -0.573 0.000 0.930 95 N CB 1.524 39.839 38.487 -0.287 0.000 1.152 95 N HN -0.253 7.844 8.380 -0.472 0.000 0.505 96 S N 6.988 122.188 115.700 -0.833 0.000 2.469 96 S HA -0.160 3.953 4.470 -0.596 0.000 0.238 96 S C 0.749 175.170 174.600 -0.299 0.000 0.998 96 S CA 2.321 60.208 58.200 -0.522 0.000 0.957 96 S CB -0.218 62.852 63.200 -0.217 0.000 0.764 96 S HN 0.639 8.553 8.310 -0.660 0.000 0.514 97 N N 1.805 120.336 118.700 -0.281 0.000 2.336 97 N HA 0.006 4.626 4.740 -0.200 0.000 0.177 97 N C 0.889 176.242 175.510 -0.262 0.000 1.018 97 N CA 2.199 55.115 53.050 -0.223 0.000 0.878 97 N CB 0.547 38.931 38.487 -0.172 0.000 0.997 97 N HN 0.467 8.910 8.380 -0.307 -0.247 0.433 98 T N -4.039 110.355 114.554 -0.267 0.000 3.022 98 T HA 0.066 4.220 4.350 -0.326 0.000 0.250 98 T C 0.221 174.734 174.700 -0.313 0.000 1.060 98 T CA 0.320 62.253 62.100 -0.279 0.000 1.013 98 T CB 1.670 70.427 68.868 -0.185 0.000 0.982 98 T HN -0.449 7.893 8.240 -0.267 -0.263 0.508 99 L N -3.606 117.465 121.223 -0.252 0.000 4.089 99 L HA -0.489 3.951 4.340 0.070 -0.058 0.408 99 L C -1.848 175.046 176.870 0.041 0.000 1.184 99 L CA 0.498 55.295 54.840 -0.071 0.000 0.947 99 L CB -2.672 39.276 42.059 -0.184 0.000 2.066 99 L HN -0.096 7.958 8.230 -0.293 0.000 0.851 100 N N -1.020 117.662 118.700 -0.029 0.000 2.530 100 N HA -0.128 4.656 4.740 0.074 0.000 0.273 100 N C 0.020 175.569 175.510 0.064 0.000 1.173 100 N CA 0.425 53.490 53.050 0.026 0.000 0.967 100 N CB 1.317 39.793 38.487 -0.018 0.000 1.109 100 N HN -0.800 7.466 8.380 -0.124 0.040 0.453 101 N N -0.733 118.000 118.700 0.054 0.000 2.758 101 N HA -0.470 4.188 4.740 -0.137 0.000 0.248 101 N C -1.448 174.034 175.510 -0.047 0.000 1.076 101 N CA 1.381 54.362 53.050 -0.115 0.000 0.696 101 N CB -1.477 36.822 38.487 -0.314 0.000 0.979 101 N HN 0.599 9.037 8.380 0.097 0.000 0.550 102 D N -1.132 119.286 120.400 0.031 0.000 2.608 102 D HA 0.036 4.684 4.640 0.013 0.000 0.224 102 D C -1.678 174.528 176.300 -0.157 0.000 1.123 102 D CA -0.224 53.795 54.000 0.031 0.000 1.030 102 D CB -0.736 40.184 40.800 0.199 0.000 1.093 102 D HN -0.120 8.281 8.370 0.051 0.000 0.497 103 I N 1.723 122.138 120.570 -0.260 0.000 2.802 103 I HA 0.613 4.865 4.170 -0.135 -0.163 0.298 103 I C -3.020 173.054 176.117 -0.071 0.000 1.176 103 I CA -1.613 59.563 61.300 -0.206 0.000 1.025 103 I CB 4.218 41.959 38.000 -0.430 0.000 1.243 103 I HN -0.185 7.823 8.210 -0.269 0.040 0.424 104 M N 5.825 125.454 119.600 0.050 0.000 2.470 104 M HA 0.651 5.433 4.480 0.229 -0.165 0.285 104 M C -2.783 173.648 176.300 0.218 0.000 1.213 104 M CA -0.972 54.419 55.300 0.151 0.000 0.901 104 M CB 4.770 37.413 32.600 0.072 0.000 1.718 104 M HN 0.184 8.500 8.290 0.044 0.000 0.469 105 L N 2.885 124.276 121.223 0.280 0.000 2.334 105 L HA 0.836 5.505 4.340 0.273 -0.165 0.276 105 L C -1.335 175.730 176.870 0.324 0.000 1.014 105 L CA -1.484 53.542 54.840 0.309 0.000 0.815 105 L CB 3.303 45.531 42.059 0.281 0.000 1.268 105 L HN 0.358 8.773 8.230 0.309 0.000 0.428 106 I N 0.755 121.494 120.570 0.283 0.000 2.465 106 I HA 0.569 4.969 4.170 0.096 -0.173 0.291 106 I C -1.679 174.377 176.117 -0.102 0.000 1.014 106 I CA -1.389 59.971 61.300 0.099 0.000 1.093 106 I CB 3.341 41.371 38.000 0.050 0.000 1.267 106 I HN 0.674 9.074 8.210 0.316 0.000 0.431 107 K N 6.362 126.496 120.400 -0.445 0.000 2.156 107 K HA 0.593 4.141 4.320 -1.520 -0.140 0.271 107 K C -1.137 175.151 176.600 -0.519 0.000 0.995 107 K CA -1.732 53.908 56.287 -1.078 0.000 0.890 107 K CB 2.911 34.624 32.500 -1.312 0.000 1.073 107 K HN 0.634 8.720 8.250 -0.274 0.000 0.454 108 L N 4.427 125.384 121.223 -0.443 0.000 2.375 108 L HA 0.208 4.546 4.340 -0.176 -0.103 0.271 108 L C 1.808 178.559 176.870 -0.198 0.000 1.107 108 L CA -0.109 54.593 54.840 -0.229 0.000 0.806 108 L CB 0.473 42.441 42.059 -0.152 0.000 1.146 108 L HN 0.851 8.634 8.230 -0.566 0.107 0.447 109 K N 2.963 123.287 120.400 -0.127 0.000 2.103 109 K HA -0.352 3.905 4.320 -0.106 0.000 0.207 109 K C -0.658 175.894 176.600 -0.081 0.000 1.048 109 K CA 2.677 58.908 56.287 -0.095 0.000 0.930 109 K CB 0.409 32.873 32.500 -0.061 0.000 0.716 109 K HN 0.724 8.911 8.250 -0.105 0.000 0.444 110 S N -4.214 111.444 115.700 -0.069 0.000 2.595 110 S HA 0.154 4.593 4.470 -0.051 0.000 0.281 110 S C -1.591 172.979 174.600 -0.050 0.000 1.117 110 S CA -1.060 57.110 58.200 -0.050 0.000 0.873 110 S CB 2.814 65.996 63.200 -0.031 0.000 1.108 110 S HN -0.522 7.748 8.310 -0.066 0.000 0.477 111 A N -0.059 122.740 122.820 -0.034 0.000 2.366 111 A HA 0.136 4.570 4.320 -0.035 -0.135 0.249 111 A C -0.266 177.313 177.584 -0.007 0.000 1.084 111 A CA -0.362 51.663 52.037 -0.021 0.000 0.794 111 A CB 0.546 19.545 19.000 -0.002 0.000 1.034 111 A HN 0.186 8.320 8.150 -0.028 0.000 0.491 112 A N -0.310 122.513 122.820 0.005 0.000 2.286 112 A HA 0.236 4.634 4.320 0.009 -0.073 0.286 112 A C -0.676 176.918 177.584 0.017 0.000 1.097 112 A CA -1.373 50.673 52.037 0.015 0.000 0.821 112 A CB 1.534 20.552 19.000 0.029 0.000 1.076 112 A HN 0.304 8.348 8.150 0.009 0.111 0.490 113 S N 0.463 116.172 115.700 0.014 0.000 2.452 113 S HA 0.113 4.592 4.470 0.015 0.000 0.284 113 S C -0.577 174.036 174.600 0.022 0.000 1.171 113 S CA -0.525 57.683 58.200 0.014 0.000 1.064 113 S CB 0.654 63.857 63.200 0.005 0.000 0.967 113 S HN 0.027 8.686 8.310 0.011 -0.342 0.484 114 L N 5.747 126.986 121.223 0.027 0.000 2.357 114 L HA 0.267 4.759 4.340 0.040 -0.128 0.273 114 L C -0.534 176.353 176.870 0.029 0.000 1.080 114 L CA -0.356 54.505 54.840 0.035 0.000 0.803 114 L CB 0.749 42.834 42.059 0.043 0.000 1.174 114 L HN 0.225 8.471 8.230 0.026 0.000 0.443 115 N N 2.852 121.571 118.700 0.032 0.000 3.635 115 N HA 0.205 4.960 4.740 0.024 0.000 0.347 115 N C -1.379 174.149 175.510 0.031 0.000 1.596 115 N CA -0.469 52.597 53.050 0.026 0.000 0.778 115 N CB 0.731 39.229 38.487 0.019 0.000 2.436 115 N HN 0.531 8.824 8.380 0.038 0.110 0.569 116 S N -2.969 112.747 115.700 0.026 0.000 2.478 116 S HA -0.097 4.394 4.470 0.036 0.000 0.222 116 S C 0.706 175.322 174.600 0.027 0.000 1.008 116 S CA 1.831 60.048 58.200 0.029 0.000 0.928 116 S CB 0.328 63.541 63.200 0.023 0.000 0.781 116 S HN 0.033 8.355 8.310 0.021 0.000 0.518 117 R N -0.757 119.757 120.500 0.023 0.000 2.223 117 R HA 0.143 4.492 4.340 0.014 0.000 0.198 117 R C -1.154 175.161 176.300 0.026 0.000 0.984 117 R CA 0.128 56.240 56.100 0.020 0.000 1.018 117 R CB 1.080 31.390 30.300 0.017 0.000 0.945 117 R HN 0.029 8.584 8.270 0.022 -0.272 0.479 118 V N -1.557 118.379 119.914 0.036 0.000 2.447 118 V HA 0.275 4.623 4.120 0.050 -0.198 0.292 118 V C -2.200 173.932 176.094 0.063 0.000 1.021 118 V CA -1.057 61.273 62.300 0.049 0.000 0.850 118 V CB 2.674 34.524 31.823 0.045 0.000 1.005 118 V HN -0.399 8.023 8.190 0.034 -0.211 0.426 119 A N 6.516 129.390 122.820 0.090 0.000 2.566 119 A HA 0.532 4.902 4.320 0.084 0.000 0.292 119 A C -2.785 174.888 177.584 0.149 0.000 1.112 119 A CA -1.205 50.896 52.037 0.107 0.000 0.707 119 A CB 3.266 22.331 19.000 0.110 0.000 1.302 119 A HN 0.139 8.231 8.150 0.099 0.117 0.409 120 S N -1.858 113.916 115.700 0.124 0.000 2.693 120 S HA 0.565 5.271 4.470 0.161 -0.139 0.276 120 S C -0.721 173.935 174.600 0.092 0.000 1.192 120 S CA -0.865 57.410 58.200 0.124 0.000 0.994 120 S CB 1.774 65.028 63.200 0.089 0.000 1.012 120 S HN -0.017 8.351 8.310 0.096 0.000 0.550 121 I N 0.235 120.815 120.570 0.017 0.000 2.693 121 I HA 0.254 4.359 4.170 -0.108 0.000 0.303 121 I C -1.212 174.857 176.117 -0.080 0.000 1.025 121 I CA -1.665 59.552 61.300 -0.138 0.000 1.086 121 I CB 4.136 41.834 38.000 -0.504 0.000 1.268 121 I HN 0.003 8.236 8.210 0.038 0.000 0.440 122 S N 5.431 121.083 115.700 -0.081 0.000 2.610 122 S HA 0.257 4.712 4.470 -0.025 0.000 0.273 122 S C -0.632 173.941 174.600 -0.044 0.000 1.274 122 S CA -0.394 57.779 58.200 -0.045 0.000 1.023 122 S CB 0.885 64.064 63.200 -0.036 0.000 0.962 122 S HN 0.298 8.545 8.310 -0.103 0.000 0.523 123 L N 2.249 123.460 121.223 -0.019 0.000 2.439 123 L HA 0.177 4.518 4.340 0.001 0.000 0.261 123 L C -1.222 175.645 176.870 -0.006 0.000 1.153 123 L CA -1.893 52.947 54.840 -0.001 0.000 0.808 123 L CB 0.132 42.200 42.059 0.015 0.000 1.126 123 L HN 0.224 8.446 8.230 -0.014 0.000 0.460 124 P HA 0.146 4.555 4.420 -0.018 0.000 0.278 124 P C -1.314 175.984 177.300 -0.002 0.000 1.266 124 P CA -0.811 62.284 63.100 -0.007 0.000 0.807 124 P CB 0.864 32.557 31.700 -0.011 0.000 1.094 128 c N 0.699 119.273 118.600 -0.044 0.000 2.443 128 c HA 0.114 4.645 4.570 -0.065 0.000 0.369 128 c C -0.111 173.918 174.090 -0.101 0.000 1.241 128 c CA -0.657 55.631 56.329 -0.069 0.000 2.413 128 c CB 0.644 43.120 42.510 -0.056 0.000 2.451 128 c HN -0.050 8.157 8.230 -0.038 0.000 0.595 129 A N 1.159 123.881 122.820 -0.164 0.000 2.264 129 A HA 0.096 4.343 4.320 -0.121 0.000 0.304 129 A C -0.883 176.599 177.584 -0.169 0.000 1.100 129 A CA -0.394 51.541 52.037 -0.170 0.000 0.839 129 A CB 1.238 20.103 19.000 -0.226 0.000 1.121 129 A HN 0.178 8.200 8.150 -0.215 0.000 0.496 133 G N 0.801 109.567 108.800 -0.058 0.000 2.253 133 G HA2 -0.328 3.603 3.960 -0.048 0.000 0.251 133 G HA3 -0.328 3.608 3.960 -0.040 0.000 0.251 133 G C -0.028 174.838 174.900 -0.057 0.000 0.998 133 G CA 0.114 45.184 45.100 -0.050 0.000 0.621 133 G HN 0.781 8.928 8.290 -0.059 0.107 0.524 134 T N 4.703 119.212 114.554 -0.076 0.000 2.888 134 T HA -0.166 4.148 4.350 -0.059 0.000 0.301 134 T C -0.685 173.973 174.700 -0.071 0.000 1.001 134 T CA 2.374 64.427 62.100 -0.077 0.000 1.147 134 T CB 0.536 69.339 68.868 -0.109 0.000 0.931 134 T HN -0.568 7.528 8.240 -0.089 0.091 0.541 135 Q N 5.808 125.580 119.800 -0.047 0.000 2.261 135 Q HA 0.115 4.545 4.340 -0.039 -0.114 0.252 135 Q C -0.604 175.379 176.000 -0.028 0.000 0.915 135 Q CA 0.380 56.165 55.803 -0.029 0.000 0.915 135 Q CB 1.432 30.169 28.738 -0.001 0.000 1.204 135 Q HN 0.129 8.376 8.270 -0.039 0.000 0.421 136 c N 2.654 121.239 118.600 -0.024 0.000 3.044 136 c HA 0.529 5.179 4.570 -0.016 -0.090 0.315 136 c C -1.929 172.167 174.090 0.010 0.000 1.320 136 c CA -1.510 54.806 56.329 -0.021 0.000 1.582 136 c CB 4.336 46.812 42.510 -0.056 0.000 2.039 136 c HN 0.602 8.818 8.230 -0.022 0.000 0.466 137 L N 0.702 121.938 121.223 0.022 0.000 2.333 137 L HA 0.939 5.510 4.340 0.053 -0.198 0.280 137 L C -2.129 174.755 176.870 0.024 0.000 1.004 137 L CA -1.414 53.453 54.840 0.045 0.000 0.820 137 L CB 3.297 45.405 42.059 0.081 0.000 1.247 137 L HN 0.618 8.751 8.230 0.015 0.105 0.416 138 I N 7.337 127.907 120.570 -0.001 0.000 2.474 138 I HA 0.837 5.232 4.170 0.009 -0.219 0.294 138 I C -1.284 174.801 176.117 -0.052 0.000 1.005 138 I CA -1.523 59.772 61.300 -0.010 0.000 1.113 138 I CB 2.471 40.467 38.000 -0.007 0.000 1.289 138 I HN 0.901 9.112 8.210 0.002 0.000 0.436 139 S N 2.508 118.170 115.700 -0.064 0.000 2.618 139 S HA 1.039 5.542 4.470 -0.222 -0.166 0.277 139 S C -1.124 173.359 174.600 -0.195 0.000 1.138 139 S CA -1.828 56.260 58.200 -0.186 0.000 0.844 139 S CB 3.777 66.832 63.200 -0.242 0.000 1.127 139 S HN -0.192 8.111 8.310 -0.011 0.000 0.474 140 G N -1.426 107.164 108.800 -0.351 0.000 2.321 140 G HA2 0.126 3.859 3.960 -0.379 0.000 0.298 140 G HA3 0.126 4.191 3.960 -0.054 -0.137 0.298 140 G C -2.226 172.461 174.900 -0.355 0.000 1.385 140 G CA 0.486 45.411 45.100 -0.292 0.000 0.856 140 G HN 0.124 8.143 8.290 -0.452 0.000 0.584 141 W N 1.292 122.549 121.300 -0.072 0.000 3.015 141 W HA 0.388 5.003 4.660 -0.075 0.000 0.429 141 W C -0.251 176.307 176.519 0.065 0.000 0.976 141 W CA -1.004 56.265 57.345 -0.126 0.000 2.086 141 W CB 0.002 29.181 29.460 -0.469 0.000 1.125 141 W HN 0.593 8.932 8.180 0.265 0.000 0.721 142 G N 0.757 109.734 108.800 0.295 0.000 2.580 142 G HA2 -0.024 4.310 3.960 0.595 0.000 0.278 142 G HA3 -0.024 4.287 3.960 0.315 -0.162 0.278 142 G C -0.900 174.158 174.900 0.263 0.000 1.212 142 G CA -0.909 44.427 45.100 0.393 0.000 0.939 142 G HN -0.397 8.137 8.290 0.176 -0.138 0.513 143 N N -0.094 118.692 118.700 0.143 0.000 2.294 143 N HA -0.351 4.072 4.740 -0.800 -0.162 0.248 143 N C 0.856 176.283 175.510 -0.138 0.000 1.242 143 N CA 1.320 54.164 53.050 -0.344 0.000 0.848 143 N CB 0.631 38.913 38.487 -0.342 0.000 1.084 143 N HN 0.237 8.862 8.380 0.409 0.000 0.457 144 T N 0.213 114.669 114.554 -0.163 0.000 3.054 144 T HA 0.214 4.694 4.350 -0.049 -0.159 0.255 144 T C 0.186 174.844 174.700 -0.069 0.000 1.035 144 T CA 0.368 62.421 62.100 -0.078 0.000 0.941 144 T CB 1.323 70.157 68.868 -0.057 0.000 1.026 144 T HN 0.172 8.260 8.240 -0.253 0.000 0.533 145 K N 2.170 122.515 120.400 -0.092 0.000 2.259 145 K HA 0.310 4.606 4.320 -0.040 0.000 0.249 145 K C -0.358 176.217 176.600 -0.041 0.000 0.942 145 K CA -0.877 55.374 56.287 -0.060 0.000 0.816 145 K CB 2.869 35.329 32.500 -0.068 0.000 1.155 145 K HN -0.662 7.718 8.250 -0.144 -0.216 0.428 146 S N 0.129 115.819 115.700 -0.017 0.000 2.503 146 S HA -0.054 4.420 4.470 0.007 0.000 0.217 146 S C -0.022 174.580 174.600 0.004 0.000 0.999 146 S CA 0.713 58.914 58.200 0.002 0.000 0.914 146 S CB 0.998 64.205 63.200 0.012 0.000 0.782 146 S HN 0.220 8.521 8.310 -0.015 0.000 0.520 147 S N 0.911 116.607 115.700 -0.005 0.000 2.542 147 S HA 0.197 4.671 4.470 0.008 0.000 0.245 147 S C -0.890 173.706 174.600 -0.008 0.000 1.325 147 S CA -0.186 58.014 58.200 0.000 0.000 1.176 147 S CB 0.313 63.515 63.200 0.003 0.000 1.045 147 S HN -0.510 7.750 8.310 -0.013 0.042 0.481 148 G N 1.752 110.547 108.800 -0.008 0.000 2.440 148 G HA2 -0.217 3.746 3.960 0.005 0.000 0.684 148 G HA3 -0.217 3.735 3.960 -0.014 0.000 0.684 148 G C -2.559 172.314 174.900 -0.044 0.000 1.309 148 G CA -0.854 44.239 45.100 -0.012 0.000 0.931 148 G HN -0.218 8.072 8.290 -0.000 0.000 0.612 149 T N -3.267 111.262 114.554 -0.042 0.000 2.794 149 T HA 0.091 4.412 4.350 -0.263 -0.129 0.280 149 T C -1.228 173.356 174.700 -0.193 0.000 0.987 149 T CA -1.480 60.533 62.100 -0.144 0.000 0.993 149 T CB 1.528 70.438 68.868 0.069 0.000 0.939 149 T HN -0.168 8.070 8.240 -0.004 0.000 0.449 150 S N 4.405 119.875 115.700 -0.383 0.000 2.620 150 S HA 0.204 4.629 4.470 -0.075 0.000 0.244 150 S C -1.974 172.433 174.600 -0.321 0.000 1.192 150 S CA -0.456 57.622 58.200 -0.203 0.000 1.148 150 S CB 0.841 63.971 63.200 -0.117 0.000 1.106 150 S HN 0.668 9.017 8.310 -0.601 -0.400 0.474 151 Y N 5.598 125.935 120.300 0.062 0.000 2.320 151 Y HA 0.189 4.791 4.550 0.087 0.000 0.334 151 Y C -0.775 175.171 175.900 0.076 0.000 1.055 151 Y CA -2.574 55.574 58.100 0.081 0.000 1.143 151 Y CB 0.858 39.377 38.460 0.098 0.000 1.193 151 Y HN 0.059 8.434 8.280 0.158 0.000 0.477 152 P HA 0.274 4.768 4.420 0.124 0.000 0.280 152 P C -1.626 175.800 177.300 0.210 0.000 1.272 152 P CA -1.097 62.103 63.100 0.166 0.000 0.819 152 P CB 1.974 33.744 31.700 0.116 0.000 1.122 153 D N -2.664 117.838 120.400 0.170 0.000 2.323 153 D HA -0.014 4.694 4.640 0.113 0.000 0.218 153 D C -0.713 175.745 176.300 0.263 0.000 0.973 153 D CA 1.733 55.825 54.000 0.153 0.000 0.890 153 D CB 0.848 41.706 40.800 0.096 0.000 1.011 153 D HN 0.397 8.847 8.370 0.133 0.000 0.499 154 V N -7.526 112.534 119.914 0.243 0.000 2.966 154 V HA 0.594 5.108 4.120 0.405 -0.151 0.317 154 V C -0.800 175.335 176.094 0.068 0.000 1.070 154 V CA -2.821 59.627 62.300 0.247 0.000 1.008 154 V CB 2.005 33.890 31.823 0.104 0.000 1.070 154 V HN -0.943 7.346 8.190 0.165 0.000 0.457 155 L N 1.356 122.469 121.223 -0.183 0.000 2.410 155 L HA -0.011 3.520 4.340 -1.348 0.000 0.273 155 L C -0.312 176.295 176.870 -0.438 0.000 1.152 155 L CA 0.605 54.999 54.840 -0.743 0.000 0.855 155 L CB 0.742 42.337 42.059 -0.773 0.000 1.129 155 L HN -0.081 8.329 8.230 0.017 -0.169 0.463 156 K N 5.648 125.775 120.400 -0.456 0.000 2.156 156 K HA 0.703 4.992 4.320 -0.326 -0.165 0.250 156 K C -1.134 175.210 176.600 -0.426 0.000 0.955 156 K CA -2.631 53.446 56.287 -0.351 0.000 0.855 156 K CB 2.304 34.665 32.500 -0.232 0.000 1.101 156 K HN -0.209 7.697 8.250 -0.572 0.000 0.434 157 c N -0.410 117.832 118.600 -0.598 0.000 2.707 157 c HA 0.971 5.487 4.570 -0.399 -0.185 0.313 157 c C -1.795 171.912 174.090 -0.637 0.000 1.209 157 c CA -0.724 55.204 56.329 -0.668 0.000 1.635 157 c CB 3.505 45.483 42.510 -0.888 0.000 2.206 157 c HN 0.734 8.533 8.230 -0.718 0.000 0.485 158 L N 0.504 121.578 121.223 -0.249 0.000 2.482 158 L HA 0.386 4.769 4.340 0.071 0.000 0.263 158 L C -2.489 174.448 176.870 0.113 0.000 0.957 158 L CA 0.057 54.897 54.840 -0.000 0.000 0.836 158 L CB 4.506 46.587 42.059 0.036 0.000 1.324 158 L HN 0.771 8.894 8.230 -0.179 0.000 0.406 159 K N 5.837 126.367 120.400 0.217 0.000 2.213 159 K HA 0.812 5.424 4.320 0.129 -0.214 0.270 159 K C -0.984 175.749 176.600 0.223 0.000 1.002 159 K CA -1.398 55.001 56.287 0.186 0.000 0.868 159 K CB 1.024 33.641 32.500 0.195 0.000 1.093 159 K HN 0.332 8.747 8.250 0.273 0.000 0.454 160 A N 4.671 127.556 122.820 0.108 0.000 2.486 160 A HA 0.603 4.907 4.320 -0.026 0.000 0.300 160 A C -3.366 174.150 177.584 -0.113 0.000 1.048 160 A CA -2.813 49.215 52.037 -0.015 0.000 0.696 160 A CB 3.001 21.998 19.000 -0.006 0.000 1.278 160 A HN 0.780 8.962 8.150 0.055 0.000 0.405 161 P HA 0.617 5.180 4.420 -0.094 -0.200 0.282 161 P C -1.096 176.137 177.300 -0.110 0.000 1.259 161 P CA -1.418 61.597 63.100 -0.141 0.000 0.826 161 P CB 1.537 33.151 31.700 -0.142 0.000 1.064 162 I N -0.141 120.383 120.570 -0.077 0.000 2.529 162 I HA -0.040 4.288 4.170 0.083 -0.108 0.284 162 I C 0.052 176.161 176.117 -0.013 0.000 1.082 162 I CA 0.428 61.713 61.300 -0.025 0.000 1.406 162 I CB 0.494 38.400 38.000 -0.158 0.000 1.405 162 I HN -0.054 8.101 8.210 -0.092 0.000 0.548 163 L N 6.331 127.582 121.223 0.047 0.000 2.416 163 L HA 0.304 4.639 4.340 -0.010 0.000 0.262 163 L C -0.093 176.798 176.870 0.035 0.000 1.093 163 L CA -1.159 53.696 54.840 0.024 0.000 0.801 163 L CB 0.751 42.832 42.059 0.037 0.000 1.191 163 L HN 0.237 8.439 8.230 0.129 0.105 0.459 164 S N -1.438 114.274 115.700 0.020 0.000 2.584 164 S HA -0.137 4.341 4.470 0.013 0.000 0.270 164 S C 0.470 175.096 174.600 0.043 0.000 1.346 164 S CA -0.722 57.490 58.200 0.021 0.000 1.018 164 S CB 1.628 64.835 63.200 0.011 0.000 0.899 164 S HN -0.055 8.261 8.310 0.011 0.000 0.542 165 D N 1.779 122.205 120.400 0.044 0.000 2.144 165 D HA -0.237 4.452 4.640 0.082 0.000 0.199 165 D C 1.573 177.905 176.300 0.053 0.000 0.984 165 D CA 3.671 57.707 54.000 0.060 0.000 0.834 165 D CB -0.423 40.407 40.800 0.051 0.000 0.955 165 D HN 0.591 8.979 8.370 0.031 0.000 0.465 166 S N -1.125 114.597 115.700 0.036 0.000 2.368 166 S HA -0.289 4.202 4.470 0.034 0.000 0.225 166 S C 2.154 176.771 174.600 0.029 0.000 1.030 166 S CA 3.289 61.508 58.200 0.030 0.000 0.999 166 S CB -0.796 62.415 63.200 0.020 0.000 0.844 166 S HN 0.043 8.365 8.310 0.029 0.006 0.459 167 S N 3.835 119.551 115.700 0.026 0.000 2.383 167 S HA -0.244 4.230 4.470 0.007 0.000 0.227 167 S C 1.794 176.411 174.600 0.027 0.000 1.026 167 S CA 4.219 62.429 58.200 0.017 0.000 0.981 167 S CB -0.137 63.070 63.200 0.013 0.000 0.818 167 S HN -0.538 7.788 8.310 0.026 0.000 0.472 168 c N 3.511 122.146 118.600 0.059 0.000 2.432 168 c HA -0.308 4.326 4.570 0.107 0.000 0.277 168 c C 1.731 175.895 174.090 0.123 0.000 1.249 168 c CA 2.786 59.178 56.329 0.104 0.000 1.725 168 c CB -1.789 40.795 42.510 0.124 0.000 2.028 168 c HN -0.184 8.082 8.230 0.060 0.000 0.477 169 K N -0.849 119.611 120.400 0.099 0.000 2.148 169 K HA -0.333 4.074 4.320 0.145 0.000 0.204 169 K C 2.527 179.167 176.600 0.066 0.000 1.050 169 K CA 2.943 59.291 56.287 0.101 0.000 0.942 169 K CB -0.253 32.293 32.500 0.077 0.000 0.724 169 K HN 0.199 8.499 8.250 0.083 0.000 0.446 170 S N -1.020 114.698 115.700 0.030 0.000 2.383 170 S HA -0.242 4.233 4.470 0.009 0.000 0.227 170 S C 1.452 176.026 174.600 -0.043 0.000 1.026 170 S CA 2.759 60.959 58.200 -0.000 0.000 0.981 170 S CB 0.067 63.262 63.200 -0.007 0.000 0.818 170 S HN -0.275 8.042 8.310 0.032 0.012 0.472 171 A N -0.358 122.407 122.820 -0.090 0.000 1.929 171 A HA -0.124 4.043 4.320 -0.255 0.000 0.216 171 A C -0.040 177.291 177.584 -0.421 0.000 1.176 171 A CA 2.107 53.967 52.037 -0.296 0.000 0.628 171 A CB 0.850 19.612 19.000 -0.397 0.000 0.816 171 A HN -0.460 7.572 8.150 -0.045 0.090 0.444 172 Y N -5.609 114.726 120.300 0.060 0.000 2.553 172 Y HA 0.462 5.082 4.550 0.117 0.000 0.369 172 Y C -2.430 173.529 175.900 0.098 0.000 0.964 172 Y CA -3.586 54.581 58.100 0.113 0.000 1.156 172 Y CB -0.310 38.264 38.460 0.189 0.000 1.218 172 Y HN -0.436 7.894 8.280 0.084 0.000 0.630 173 P HA -0.065 4.527 4.420 0.105 -0.109 0.265 173 P C 0.778 178.147 177.300 0.114 0.000 1.193 173 P CA 1.177 64.342 63.100 0.108 0.000 0.765 173 P CB 0.238 31.975 31.700 0.062 0.000 0.823 174 G N 3.238 112.095 108.800 0.095 0.000 2.189 174 G HA2 -0.378 3.616 3.960 0.057 0.000 0.267 174 G HA3 -0.378 3.614 3.960 0.055 0.000 0.267 174 G C 0.020 174.969 174.900 0.080 0.000 0.975 174 G CA 0.815 45.958 45.100 0.071 0.000 0.644 174 G HN 0.329 8.673 8.290 0.090 0.000 0.537 175 Q N -2.303 117.581 119.800 0.140 0.000 2.214 175 Q HA 0.100 4.466 4.340 0.044 0.000 0.229 175 Q C -0.502 175.619 176.000 0.202 0.000 0.835 175 Q CA -0.414 55.471 55.803 0.136 0.000 0.953 175 Q CB 1.599 30.445 28.738 0.180 0.000 1.131 175 Q HN -0.301 8.014 8.270 0.186 0.067 0.501 176 I N 0.539 121.230 120.570 0.202 0.000 2.315 176 I HA -0.008 4.305 4.170 0.240 0.000 0.291 176 I C -0.072 176.121 176.117 0.127 0.000 1.006 176 I CA -1.836 59.577 61.300 0.188 0.000 1.265 176 I CB -1.068 37.035 38.000 0.172 0.000 1.387 176 I HN -0.445 7.874 8.210 0.182 0.000 0.475 177 T N 2.876 117.500 114.554 0.118 0.000 2.880 177 T HA 0.313 4.701 4.350 0.064 0.000 0.279 177 T C 0.742 175.492 174.700 0.083 0.000 0.990 177 T CA -1.967 60.181 62.100 0.080 0.000 0.938 177 T CB 2.187 71.094 68.868 0.064 0.000 1.206 177 T HN -0.411 7.916 8.240 0.144 0.000 0.573 178 S N -2.480 113.255 115.700 0.058 0.000 2.603 178 S HA -0.183 4.327 4.470 0.067 0.000 0.229 178 S C -0.067 174.575 174.600 0.070 0.000 0.972 178 S CA 1.685 59.917 58.200 0.054 0.000 0.935 178 S CB -0.214 62.998 63.200 0.021 0.000 0.769 178 S HN 0.251 8.586 8.310 0.041 0.000 0.536 179 N N 0.204 118.959 118.700 0.092 0.000 2.251 179 N HA 0.124 4.939 4.740 0.125 0.000 0.217 179 N C -1.827 173.805 175.510 0.205 0.000 1.124 179 N CA -0.413 52.727 53.050 0.150 0.000 0.843 179 N CB 0.902 39.503 38.487 0.190 0.000 1.024 179 N HN -0.607 7.737 8.380 0.088 0.089 0.501 180 M N -1.070 118.634 119.600 0.175 0.000 2.619 180 M HA 0.851 5.607 4.480 0.097 -0.218 0.297 180 M C -2.377 174.033 176.300 0.184 0.000 1.229 180 M CA -0.390 54.989 55.300 0.131 0.000 0.860 180 M CB 5.111 37.770 32.600 0.100 0.000 1.741 180 M HN -0.788 7.507 8.290 0.155 0.088 0.462 181 F N -6.044 113.953 119.950 0.078 0.000 2.645 181 F HA 0.610 5.171 4.527 0.056 0.000 0.310 181 F C -2.686 173.166 175.800 0.087 0.000 1.102 181 F CA -1.731 56.312 58.000 0.073 0.000 0.952 181 F CB 2.345 41.386 39.000 0.069 0.000 1.326 181 F HN -0.012 8.136 8.300 -0.254 0.000 0.456 182 c N -0.018 118.737 118.600 0.258 0.000 2.397 182 c HA 0.988 5.770 4.570 0.026 -0.197 0.343 182 c C -1.016 173.266 174.090 0.320 0.000 1.188 182 c CA -0.896 55.531 56.329 0.164 0.000 1.992 182 c CB 2.780 45.361 42.510 0.118 0.000 2.358 182 c HN 0.859 9.281 8.230 0.320 0.000 0.518 183 A N 2.561 125.558 122.820 0.296 0.000 2.476 183 A HA 0.642 5.172 4.320 0.114 -0.141 0.280 183 A C -2.266 175.381 177.584 0.106 0.000 1.081 183 A CA -0.340 51.805 52.037 0.181 0.000 0.753 183 A CB 2.625 21.669 19.000 0.073 0.000 1.248 183 A HN 0.384 8.720 8.150 0.310 0.000 0.424 184 Y N 2.993 123.327 120.300 0.058 0.000 2.383 184 Y HA 0.081 4.653 4.550 0.036 0.000 0.344 184 Y C 0.917 176.834 175.900 0.028 0.000 0.986 184 Y CA -0.282 57.841 58.100 0.039 0.000 1.175 184 Y CB 0.364 38.845 38.460 0.035 0.000 1.152 184 Y HN 0.321 8.729 8.280 0.213 0.000 0.511 185 L N 3.898 125.193 121.223 0.120 0.000 2.362 185 L HA -0.315 4.055 4.340 0.050 0.000 0.219 185 L C 0.964 177.879 176.870 0.074 0.000 1.134 185 L CA 2.149 57.029 54.840 0.068 0.000 0.807 185 L CB -0.449 41.630 42.059 0.034 0.000 0.927 185 L HN 0.532 8.816 8.230 0.089 0.000 0.447 186 E N -2.219 118.044 120.200 0.105 0.000 2.435 186 E HA -0.076 4.301 4.350 0.046 0.000 0.195 186 E C 0.788 177.422 176.600 0.057 0.000 1.029 186 E CA 0.032 56.472 56.400 0.067 0.000 0.865 186 E CB -0.391 29.345 29.700 0.060 0.000 0.833 186 E HN 0.048 8.453 8.360 0.159 0.050 0.510 187 G N 0.983 109.834 108.800 0.084 0.000 3.405 187 G HA2 -0.376 3.672 3.960 0.080 0.000 0.676 187 G HA3 -0.376 3.609 3.960 0.042 0.000 0.676 187 G C -0.861 174.059 174.900 0.034 0.000 1.039 187 G CA -0.119 45.019 45.100 0.062 0.000 0.855 187 G HN -0.493 7.713 8.290 0.131 0.163 0.443 188 K N 1.157 121.558 120.400 0.002 0.000 7.156 188 K HA -0.598 3.983 4.320 0.013 -0.253 0.723 188 K C -1.382 175.315 176.600 0.162 0.000 2.501 188 K CA 0.384 56.690 56.287 0.031 0.000 1.807 188 K CB -0.076 32.346 32.500 -0.131 0.000 1.947 188 K HN 0.149 8.425 8.250 0.044 0.000 0.300 189 D N 0.486 120.965 120.400 0.132 0.000 2.764 189 D HA 0.292 5.056 4.640 0.207 0.000 0.293 189 D C -1.876 174.497 176.300 0.121 0.000 1.287 189 D CA -0.577 53.515 54.000 0.153 0.000 0.768 189 D CB 4.297 45.170 40.800 0.120 0.000 1.288 189 D HN 0.062 8.485 8.370 0.089 0.000 0.426 190 S N -1.508 114.277 115.700 0.142 0.000 2.681 190 S HA 0.308 4.901 4.470 0.103 -0.062 0.270 190 S C -1.294 173.360 174.600 0.090 0.000 1.209 190 S CA -0.338 57.938 58.200 0.126 0.000 0.988 190 S CB 1.608 64.925 63.200 0.196 0.000 1.006 190 S HN 0.236 8.648 8.310 0.170 0.000 0.558 191 c N -1.786 116.874 118.600 0.100 0.000 3.276 191 c HA 0.261 4.883 4.570 0.087 0.000 0.370 191 c C -1.541 172.645 174.090 0.159 0.000 1.624 191 c CA -0.616 55.775 56.329 0.104 0.000 1.179 191 c CB 2.811 45.367 42.510 0.076 0.000 1.909 191 c HN 0.154 8.717 8.230 0.118 -0.263 0.434 192 Q N 1.883 121.793 119.800 0.184 0.000 2.286 192 Q HA -0.331 4.145 4.340 0.227 0.000 0.290 192 Q C 0.896 177.111 176.000 0.358 0.000 1.049 192 Q CA 2.128 58.084 55.803 0.254 0.000 0.923 192 Q CB 0.566 29.462 28.738 0.263 0.000 1.183 192 Q HN 0.439 8.799 8.270 0.149 0.000 0.383 193 G N 6.207 115.199 108.800 0.320 0.000 2.254 193 G HA2 -0.416 3.707 3.960 0.272 0.000 0.225 193 G HA3 -0.416 3.839 3.960 0.492 0.000 0.225 193 G C 0.602 175.729 174.900 0.379 0.000 1.003 193 G CA 1.028 46.352 45.100 0.374 0.000 0.622 193 G HN 0.844 9.292 8.290 0.264 0.000 0.507 194 D N 2.103 122.670 120.400 0.277 0.000 2.327 194 D HA 0.093 4.878 4.640 0.241 0.000 0.205 194 D C 0.188 176.592 176.300 0.174 0.000 0.989 194 D CA 1.080 55.209 54.000 0.216 0.000 0.873 194 D CB 0.735 41.632 40.800 0.162 0.000 0.955 194 D HN 0.066 8.490 8.370 0.258 0.100 0.515 195 S N -0.394 115.407 115.700 0.168 0.000 2.599 195 S HA -0.594 4.096 4.470 0.143 -0.134 0.303 195 S C 0.873 175.496 174.600 0.039 0.000 1.267 195 S CA 2.415 60.695 58.200 0.134 0.000 1.055 195 S CB -0.049 63.283 63.200 0.220 0.000 0.790 195 S HN -0.568 7.859 8.310 0.196 0.000 0.500 196 G N 4.537 113.345 108.800 0.013 0.000 2.241 196 G HA2 -0.425 3.589 3.960 -0.041 0.000 0.244 196 G HA3 -0.425 3.602 3.960 -0.060 -0.103 0.244 196 G C -0.208 174.724 174.900 0.053 0.000 0.998 196 G CA 0.061 45.151 45.100 -0.017 0.000 0.621 196 G HN 0.810 9.023 8.290 0.049 0.107 0.519 197 G N 0.922 109.780 108.800 0.096 0.000 2.588 197 G HA2 0.406 4.511 3.960 0.122 0.000 0.281 197 G HA3 0.406 4.441 3.960 0.125 0.000 0.281 197 G C -2.727 172.255 174.900 0.136 0.000 1.236 197 G CA -1.998 43.175 45.100 0.122 0.000 0.969 197 G HN -0.217 8.046 8.290 0.105 0.090 0.504 198 P HA 0.342 4.952 4.420 0.125 -0.115 0.286 198 P C -1.682 175.679 177.300 0.101 0.000 1.261 198 P CA -0.955 62.233 63.100 0.146 0.000 0.821 198 P CB 1.669 33.514 31.700 0.242 0.000 1.013 199 V N 2.612 122.563 119.914 0.060 0.000 2.380 199 V HA 0.264 4.519 4.120 -0.030 -0.153 0.286 199 V C -1.060 175.038 176.094 0.006 0.000 1.015 199 V CA -0.459 61.835 62.300 -0.009 0.000 0.834 199 V CB 1.914 33.697 31.823 -0.067 0.000 1.009 199 V HN -0.208 8.025 8.190 0.072 0.000 0.428 200 V N 8.621 128.531 119.914 -0.005 0.000 2.459 200 V HA 0.644 4.916 4.120 -0.073 -0.195 0.295 200 V C -1.342 174.730 176.094 -0.036 0.000 1.029 200 V CA -1.291 60.980 62.300 -0.048 0.000 0.874 200 V CB 3.041 34.816 31.823 -0.081 0.000 0.985 200 V HN 0.500 8.701 8.190 0.017 0.000 0.438 201 c N 6.954 125.521 118.600 -0.055 0.000 2.547 201 c HA 0.573 5.121 4.570 -0.036 0.000 0.313 201 c C 0.231 174.291 174.090 -0.049 0.000 1.191 201 c CA -1.351 54.946 56.329 -0.053 0.000 1.474 201 c CB 2.749 45.208 42.510 -0.085 0.000 2.081 201 c HN 0.736 8.925 8.230 -0.068 0.000 0.476 202 S N 4.359 120.038 115.700 -0.034 0.000 3.486 202 S HA -0.320 4.139 4.470 -0.018 0.000 0.371 202 S C 0.261 174.842 174.600 -0.032 0.000 1.001 202 S CA 1.168 59.350 58.200 -0.029 0.000 1.164 202 S CB -1.698 61.481 63.200 -0.035 0.000 0.911 202 S HN 1.178 9.472 8.310 -0.026 0.000 0.472 203 G N -4.701 104.079 108.800 -0.034 0.000 2.179 203 G HA2 -0.377 3.553 3.960 -0.051 0.000 0.257 203 G HA3 -0.377 3.564 3.960 -0.032 0.000 0.257 203 G C -1.130 173.721 174.900 -0.082 0.000 1.010 203 G CA 0.547 45.618 45.100 -0.050 0.000 0.736 203 G HN 0.283 8.539 8.290 -0.026 0.019 0.513 210 Q N 1.176 120.988 119.800 0.020 0.000 2.396 210 Q HA 0.181 4.547 4.340 0.044 0.000 0.220 210 Q C -0.203 175.940 176.000 0.239 0.000 0.900 210 Q CA 0.266 56.099 55.803 0.050 0.000 0.925 210 Q CB 2.623 31.312 28.738 -0.081 0.000 1.065 210 Q HN 0.206 8.476 8.270 0.000 0.000 0.535 211 G N -3.421 105.546 108.800 0.279 0.000 2.694 211 G HA2 0.613 5.074 3.960 0.436 0.000 0.290 211 G HA3 0.613 4.860 3.960 0.478 0.000 0.290 211 G C -3.235 171.786 174.900 0.203 0.000 1.386 211 G CA -0.772 44.550 45.100 0.371 0.000 0.872 211 G HN -0.384 8.005 8.290 0.165 0.000 0.475 212 I N -1.302 119.384 120.570 0.194 0.000 2.498 212 I HA 0.574 5.050 4.170 0.156 -0.212 0.290 212 I C -0.428 175.828 176.117 0.230 0.000 1.032 212 I CA -1.453 59.944 61.300 0.163 0.000 1.073 212 I CB 4.444 42.499 38.000 0.092 0.000 1.251 212 I HN -0.379 8.021 8.210 0.185 -0.080 0.426 213 V N 7.219 127.284 119.914 0.251 0.000 2.493 213 V HA -0.213 4.057 4.120 0.249 0.000 0.292 213 V C -1.121 175.008 176.094 0.057 0.000 1.016 213 V CA 2.139 64.559 62.300 0.201 0.000 1.097 213 V CB -1.043 30.903 31.823 0.206 0.000 0.947 213 V HN 0.490 8.697 8.190 0.205 0.106 0.479 214 S N 7.683 123.321 115.700 -0.103 0.000 3.142 214 S HA 0.312 4.980 4.470 0.330 0.000 0.223 214 S C -0.859 173.860 174.600 0.199 0.000 0.939 214 S CA 0.950 59.235 58.200 0.142 0.000 0.826 214 S CB 2.615 65.901 63.200 0.144 0.000 0.823 214 S HN 0.010 8.052 8.310 -0.447 0.000 0.612 215 W N -4.580 116.577 121.300 -0.238 0.000 2.962 215 W HA 0.268 4.839 4.660 -0.148 0.000 0.405 215 W C -2.909 173.445 176.519 -0.276 0.000 1.121 215 W CA -0.765 56.447 57.345 -0.222 0.000 1.164 215 W CB 0.553 29.873 29.460 -0.233 0.000 1.489 215 W HN -0.419 7.417 8.180 -0.572 0.000 0.599 216 G N -3.377 105.448 108.800 0.042 0.000 2.356 216 G HA2 0.094 3.728 3.960 -0.543 0.000 0.294 216 G HA3 0.094 3.969 3.960 -0.140 0.000 0.294 216 G C -2.065 172.953 174.900 0.197 0.000 1.423 216 G CA 0.152 45.176 45.100 -0.127 0.000 0.806 216 G HN -0.048 8.460 8.290 0.365 0.000 0.527 220 c N 2.011 120.649 118.600 0.063 0.000 3.359 220 c HA 0.325 5.071 4.570 0.063 -0.138 0.194 220 c C -1.509 172.612 174.090 0.053 0.000 1.659 220 c CA -0.816 55.548 56.329 0.058 0.000 1.338 220 c CB -1.343 41.197 42.510 0.049 0.000 2.109 220 c HN 0.345 8.608 8.230 0.055 0.000 0.518 221 Q N -1.811 118.021 119.800 0.054 0.000 2.852 221 Q HA 0.151 4.511 4.340 0.034 0.000 0.250 221 Q C -1.526 174.495 176.000 0.036 0.000 0.988 221 Q CA -0.759 55.068 55.803 0.041 0.000 0.905 221 Q CB 2.427 31.190 28.738 0.043 0.000 1.896 221 Q HN -0.020 8.289 8.270 0.064 0.000 0.464 222 K N 4.080 124.495 120.400 0.025 0.000 2.469 222 K HA -0.298 4.228 4.320 0.032 -0.186 0.274 222 K C 0.247 176.846 176.600 -0.002 0.000 0.983 222 K CA 0.820 57.119 56.287 0.019 0.000 0.974 222 K CB 0.052 32.559 32.500 0.013 0.000 0.913 222 K HN 0.260 8.524 8.250 0.022 0.000 0.493 223 N N 1.099 119.794 118.700 -0.009 0.000 2.690 223 N HA -0.489 4.224 4.740 -0.045 0.000 0.249 223 N C -1.574 173.864 175.510 -0.120 0.000 1.125 223 N CA 1.919 54.937 53.050 -0.054 0.000 0.794 223 N CB -0.407 38.042 38.487 -0.062 0.000 1.152 223 N HN 0.761 9.024 8.380 0.010 0.123 0.571 224 K N -2.069 118.287 120.400 -0.074 0.000 2.679 224 K HA 0.542 4.642 4.320 -0.366 0.000 0.188 224 K C -2.353 174.284 176.600 0.061 0.000 1.055 224 K CA -3.465 52.765 56.287 -0.095 0.000 1.006 224 K CB -0.029 32.476 32.500 0.008 0.000 1.317 224 K HN -0.742 7.434 8.250 -0.015 0.065 0.584 225 P HA -0.039 4.438 4.420 0.095 0.000 0.274 225 P C -0.638 176.704 177.300 0.069 0.000 1.260 225 P CA -0.442 62.718 63.100 0.099 0.000 0.793 225 P CB 1.207 32.955 31.700 0.080 0.000 1.048 226 G N -2.679 106.119 108.800 -0.003 0.000 2.507 226 G HA2 0.365 4.101 3.960 -0.374 0.000 0.271 226 G HA3 0.365 4.156 3.960 -0.281 0.000 0.271 226 G C -1.783 172.745 174.900 -0.621 0.000 1.189 226 G CA -0.852 44.057 45.100 -0.319 0.000 0.859 226 G HN -0.396 7.954 8.290 0.101 0.000 0.542 227 V N 1.467 120.680 119.914 -1.168 0.000 2.495 227 V HA 0.611 4.436 4.120 -0.764 -0.164 0.298 227 V C -1.018 174.283 176.094 -1.321 0.000 1.031 227 V CA -0.972 60.607 62.300 -1.201 0.000 0.871 227 V CB 2.400 33.050 31.823 -1.955 0.000 0.988 227 V HN 0.430 7.894 8.190 -1.210 0.000 0.432 228 Y N 4.956 124.840 120.300 -0.694 0.000 2.499 228 Y HA 0.591 5.061 4.550 -0.373 -0.144 0.347 228 Y C 0.277 175.903 175.900 -0.457 0.000 0.987 228 Y CA -2.234 55.480 58.100 -0.643 0.000 1.044 228 Y CB 3.777 41.587 38.460 -1.084 0.000 1.245 228 Y HN 0.918 8.785 8.280 -0.688 0.000 0.461 229 T N 4.634 119.168 114.554 -0.034 0.000 2.870 229 T HA -0.005 4.559 4.350 0.109 -0.148 0.300 229 T C -0.643 174.197 174.700 0.233 0.000 0.989 229 T CA 1.545 63.700 62.100 0.092 0.000 1.139 229 T CB 0.568 69.466 68.868 0.051 0.000 0.920 229 T HN 0.406 8.657 8.240 0.019 0.000 0.537 230 K N 8.165 128.785 120.400 0.367 0.000 2.127 230 K HA 0.082 4.823 4.320 0.702 0.000 0.261 230 K C 0.966 177.821 176.600 0.425 0.000 1.129 230 K CA -0.482 56.097 56.287 0.487 0.000 0.993 230 K CB -0.441 32.291 32.500 0.387 0.000 1.410 230 K HN 0.170 8.515 8.250 0.332 0.104 0.380 231 V N 5.917 126.059 119.914 0.380 0.000 2.380 231 V HA -0.557 3.841 4.120 0.464 0.000 0.251 231 V C 1.443 177.703 176.094 0.276 0.000 1.063 231 V CA 4.028 66.536 62.300 0.346 0.000 1.055 231 V CB -0.303 31.653 31.823 0.222 0.000 0.657 231 V HN 0.225 8.650 8.190 0.392 0.000 0.455 232 c N -3.060 115.638 118.600 0.164 0.000 2.410 232 c HA -0.246 4.371 4.570 0.078 0.000 0.281 232 c C 1.678 175.793 174.090 0.042 0.000 1.318 232 c CA 1.888 58.265 56.329 0.080 0.000 1.776 232 c CB -2.057 40.470 42.510 0.028 0.000 1.942 232 c HN 0.472 8.779 8.230 0.157 0.017 0.508 233 N N 0.698 119.391 118.700 -0.011 0.000 2.467 233 N HA -0.075 4.573 4.740 -0.152 0.000 0.184 233 N C 0.208 175.482 175.510 -0.394 0.000 1.106 233 N CA 0.996 53.898 53.050 -0.247 0.000 0.892 233 N CB -0.245 37.975 38.487 -0.445 0.000 0.969 233 N HN -0.252 8.140 8.380 0.076 0.034 0.454 234 Y N -4.514 115.854 120.300 0.112 0.000 2.531 234 Y HA 0.152 4.833 4.550 0.219 0.000 0.249 234 Y C 0.066 176.101 175.900 0.226 0.000 1.168 234 Y CA -0.441 57.779 58.100 0.200 0.000 1.226 234 Y CB -0.004 38.588 38.460 0.219 0.000 1.177 234 Y HN -0.110 8.084 8.280 0.190 0.201 0.527 235 V N 1.295 121.345 119.914 0.227 0.000 2.295 235 V HA -0.544 3.675 4.120 0.165 0.000 0.246 235 V C 1.433 177.603 176.094 0.126 0.000 1.049 235 V CA 5.167 67.560 62.300 0.154 0.000 1.024 235 V CB -0.499 31.376 31.823 0.086 0.000 0.648 235 V HN -0.917 7.367 8.190 0.157 0.000 0.447 236 S N -0.233 115.539 115.700 0.120 0.000 2.368 236 S HA -0.351 4.143 4.470 0.039 0.000 0.225 236 S C 2.021 176.696 174.600 0.125 0.000 1.030 236 S CA 3.943 62.196 58.200 0.089 0.000 0.999 236 S CB -0.358 62.891 63.200 0.081 0.000 0.844 236 S HN 0.200 8.577 8.310 0.112 0.000 0.459 237 W N 3.568 124.902 121.300 0.057 0.000 2.355 237 W HA -0.167 4.515 4.660 0.036 0.000 0.309 237 W C 1.761 178.292 176.519 0.020 0.000 1.206 237 W CA 3.352 60.740 57.345 0.071 0.000 1.284 237 W CB -0.201 29.381 29.460 0.203 0.000 1.145 237 W HN -0.274 8.141 8.180 0.391 0.000 0.502 238 I N -0.955 119.627 120.570 0.020 0.000 2.127 238 I HA -0.772 3.019 4.170 -0.632 0.000 0.241 238 I C 1.870 177.763 176.117 -0.373 0.000 1.075 238 I CA 4.606 65.740 61.300 -0.276 0.000 1.334 238 I CB -0.255 37.745 38.000 0.001 0.000 1.040 238 I HN 0.133 8.556 8.210 0.356 0.000 0.405 239 K N -0.903 119.377 120.400 -0.199 0.000 2.009 239 K HA -0.460 3.723 4.320 -0.227 0.000 0.210 239 K C 2.699 179.151 176.600 -0.246 0.000 1.049 239 K CA 3.899 60.067 56.287 -0.198 0.000 0.929 239 K CB -0.376 32.066 32.500 -0.096 0.000 0.714 239 K HN -0.149 8.051 8.250 -0.084 0.000 0.440 240 Q N -1.843 117.824 119.800 -0.220 0.000 2.084 240 Q HA -0.299 3.947 4.340 -0.157 0.000 0.202 240 Q C 2.784 178.591 176.000 -0.321 0.000 0.978 240 Q CA 3.159 58.837 55.803 -0.208 0.000 0.844 240 Q CB 0.036 28.698 28.738 -0.127 0.000 0.898 240 Q HN 0.246 8.414 8.270 -0.170 0.000 0.426 241 T N 2.690 116.923 114.554 -0.534 0.000 2.777 241 T HA -0.236 3.859 4.350 -0.425 0.000 0.266 241 T C 2.384 176.736 174.700 -0.581 0.000 1.040 241 T CA 4.927 66.662 62.100 -0.609 0.000 1.141 241 T CB -0.126 68.105 68.868 -1.062 0.000 0.868 241 T HN 0.156 7.899 8.240 -0.642 0.111 0.444 242 I N 1.283 121.418 120.570 -0.725 0.000 2.252 242 I HA -0.464 2.897 4.170 -1.348 0.000 0.245 242 I C 1.683 177.558 176.117 -0.403 0.000 1.102 242 I CA 3.760 64.516 61.300 -0.907 0.000 1.385 242 I CB -0.342 37.074 38.000 -0.973 0.000 1.064 242 I HN 0.315 8.111 8.210 -0.690 0.000 0.414 243 A N -0.115 122.530 122.820 -0.292 0.000 1.978 243 A HA -0.229 4.023 4.320 -0.113 0.000 0.220 243 A C 1.255 178.781 177.584 -0.096 0.000 1.170 243 A CA 3.048 54.995 52.037 -0.150 0.000 0.636 243 A CB -0.287 18.636 19.000 -0.128 0.000 0.810 243 A HN 0.111 8.062 8.150 -0.331 0.000 0.448 244 S N -5.003 110.629 115.700 -0.115 0.000 2.577 244 S HA 0.055 4.505 4.470 -0.034 0.000 0.219 244 S C -0.279 174.316 174.600 -0.010 0.000 0.962 244 S CA 0.221 58.388 58.200 -0.056 0.000 0.921 244 S CB 0.469 63.630 63.200 -0.064 0.000 0.789 244 S HN -0.404 7.687 8.310 -0.180 0.111 0.497 245 N N 0.000 118.716 118.700 0.027 0.000 1.763 245 N HA 0.000 4.805 4.740 0.109 0.000 0.220 245 N CA 0.000 53.143 53.050 0.155 0.000 0.885 245 N CB 0.000 38.649 38.487 0.270 0.000 1.341 245 N HN 0.000 8.202 8.380 -0.016 0.168 0.667