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 1o3g_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 4.187 4.170 0.028 0.000 0.288 16 I C 0.000 176.113 176.117 -0.007 0.000 1.063 16 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 16 I CB 0.000 37.962 38.000 -0.064 0.000 1.214 17 V N 5.732 125.651 119.914 0.008 0.000 2.435 17 V HA 0.252 4.494 4.120 -0.011 -0.129 0.290 17 V C 0.463 176.557 176.094 -0.001 0.000 1.030 17 V CA -1.562 60.738 62.300 0.000 0.000 0.881 17 V CB 1.335 33.164 31.823 0.010 0.000 0.983 17 V HN 0.913 9.120 8.190 0.028 0.000 0.445 18 G N 6.903 115.697 108.800 -0.011 0.000 2.143 18 G HA2 -0.379 3.571 3.960 -0.016 0.000 0.248 18 G HA3 -0.379 3.717 3.960 -0.036 -0.158 0.248 18 G C -0.631 174.270 174.900 0.002 0.000 0.991 18 G CA 0.415 45.505 45.100 -0.017 0.000 0.689 18 G HN 0.751 9.034 8.290 -0.012 0.000 0.522 19 G N -0.929 107.871 108.800 0.000 0.000 2.702 19 G HA2 0.498 4.475 3.960 0.073 0.000 0.254 19 G HA3 0.498 4.507 3.960 -0.104 -0.112 0.254 19 G C -1.690 173.247 174.900 0.063 0.000 1.380 19 G CA -1.016 44.083 45.100 -0.002 0.000 1.042 19 G HN -0.693 7.549 8.290 -0.016 0.039 0.557 20 Y N -6.174 114.107 120.300 -0.031 0.000 2.634 20 Y HA 0.398 4.932 4.550 -0.027 0.000 0.340 20 Y C -1.765 174.110 175.900 -0.041 0.000 1.058 20 Y CA -2.924 55.158 58.100 -0.031 0.000 1.081 20 Y CB 1.090 39.535 38.460 -0.026 0.000 1.295 20 Y HN 0.419 8.229 8.280 -0.606 0.106 0.487 21 T N 2.619 117.250 114.554 0.128 0.000 2.799 21 T HA 0.052 4.483 4.350 -0.070 -0.123 0.296 21 T C -0.090 174.653 174.700 0.073 0.000 0.947 21 T CA 1.426 63.544 62.100 0.030 0.000 1.141 21 T CB -0.259 68.647 68.868 0.062 0.000 0.891 21 T HN 0.118 8.485 8.240 0.212 0.000 0.533 22 c N 5.758 124.302 118.600 -0.093 0.000 2.429 22 c HA -0.158 4.434 4.570 0.038 0.000 0.277 22 c C 0.330 174.449 174.090 0.050 0.000 1.262 22 c CA 0.931 57.238 56.329 -0.037 0.000 1.733 22 c CB -0.067 42.349 42.510 -0.157 0.000 2.010 22 c HN 0.231 8.352 8.230 -0.182 0.000 0.483 23 G N -2.156 106.655 108.800 0.018 0.000 2.885 23 G HA2 -0.165 3.815 3.960 0.034 0.000 0.685 23 G HA3 -0.165 3.818 3.960 0.038 0.000 0.685 23 G C -1.924 172.982 174.900 0.009 0.000 1.216 23 G CA -0.811 44.306 45.100 0.029 0.000 0.790 23 G HN -0.351 7.934 8.290 -0.008 0.000 0.631 24 A N 4.063 126.895 122.820 0.020 0.000 2.566 24 A HA -0.229 4.338 4.320 0.031 -0.229 0.245 24 A C -0.179 177.411 177.584 0.011 0.000 1.056 24 A CA 1.117 53.168 52.037 0.023 0.000 0.757 24 A CB 0.044 19.062 19.000 0.031 0.000 0.979 24 A HN 0.334 8.499 8.150 0.025 0.000 0.508 25 N N -2.586 116.118 118.700 0.007 0.000 2.714 25 N HA -0.389 4.343 4.740 -0.014 0.000 0.250 25 N C 0.363 175.854 175.510 -0.030 0.000 1.117 25 N CA 1.612 54.657 53.050 -0.009 0.000 0.719 25 N CB -0.996 37.496 38.487 0.008 0.000 1.081 25 N HN 0.539 8.930 8.380 0.019 0.000 0.557 26 T N -3.664 110.864 114.554 -0.044 0.000 3.100 26 T HA 0.019 4.361 4.350 -0.014 0.000 0.253 26 T C -0.102 174.544 174.700 -0.090 0.000 1.118 26 T CA 1.965 64.043 62.100 -0.036 0.000 1.058 26 T CB 0.479 69.343 68.868 -0.008 0.000 0.953 26 T HN -0.519 7.662 8.240 -0.046 0.032 0.515 27 V N 2.308 122.107 119.914 -0.190 0.000 2.313 27 V HA 0.366 4.228 4.120 -0.430 0.000 0.262 27 V C -1.524 174.261 176.094 -0.514 0.000 1.011 27 V CA -3.395 58.636 62.300 -0.448 0.000 0.858 27 V CB 0.720 32.256 31.823 -0.478 0.000 1.104 27 V HN -0.539 7.487 8.190 -0.159 0.069 0.456 28 P HA 0.072 4.529 4.420 -0.089 -0.091 0.230 28 P C -0.017 177.237 177.300 -0.077 0.000 1.158 28 P CA 1.526 64.554 63.100 -0.121 0.000 0.769 28 P CB 0.141 31.844 31.700 0.005 0.000 0.807 29 Y N -5.921 114.404 120.300 0.041 0.000 2.466 29 Y HA 0.506 5.239 4.550 0.055 -0.150 0.272 29 Y C -0.677 175.259 175.900 0.060 0.000 1.169 29 Y CA -3.272 54.858 58.100 0.049 0.000 1.285 29 Y CB -1.276 37.209 38.460 0.042 0.000 1.078 29 Y HN -0.405 7.258 8.280 -0.934 0.056 0.523 30 Q N 2.726 122.412 119.800 -0.191 0.000 2.304 30 Q HA 0.249 4.785 4.340 0.086 -0.145 0.260 30 Q C -0.342 175.738 176.000 0.132 0.000 0.965 30 Q CA 0.017 55.804 55.803 -0.027 0.000 0.898 30 Q CB 1.087 29.699 28.738 -0.211 0.000 1.196 30 Q HN -0.683 7.241 8.270 -0.471 0.063 0.402 31 V N 1.805 121.832 119.914 0.189 0.000 3.074 31 V HA 0.828 5.182 4.120 0.191 -0.119 0.314 31 V C -2.078 174.162 176.094 0.244 0.000 1.117 31 V CA -2.908 59.502 62.300 0.183 0.000 1.014 31 V CB 3.992 35.873 31.823 0.096 0.000 1.057 31 V HN 0.179 8.477 8.190 0.179 0.000 0.438 32 S N 0.604 116.361 115.700 0.096 0.000 2.473 32 S HA 0.464 5.185 4.470 0.228 -0.115 0.307 32 S C -1.012 173.469 174.600 -0.198 0.000 1.094 32 S CA -2.051 56.154 58.200 0.008 0.000 1.070 32 S CB 1.745 64.749 63.200 -0.327 0.000 1.019 32 S HN 0.143 8.467 8.310 0.023 0.000 0.480 33 L N 7.142 128.111 121.223 -0.424 0.000 2.275 33 L HA 0.497 4.728 4.340 -0.383 -0.121 0.288 33 L C -1.531 174.841 176.870 -0.829 0.000 1.046 33 L CA -0.752 53.699 54.840 -0.648 0.000 0.805 33 L CB 0.717 42.209 42.059 -0.945 0.000 1.193 33 L HN 0.774 8.718 8.230 -0.476 0.000 0.426 38 G N -0.165 108.517 108.800 -0.195 0.000 2.179 38 G HA2 -0.263 3.673 3.960 -0.040 0.000 0.220 38 G HA3 -0.263 3.743 3.960 0.077 0.000 0.220 38 G C -1.600 173.369 174.900 0.114 0.000 0.990 38 G CA 0.260 45.353 45.100 -0.012 0.000 0.646 38 G HN 0.351 8.832 8.290 -0.229 -0.328 0.517 39 Y N -7.440 112.836 120.300 -0.039 0.000 2.732 39 Y HA 0.209 4.720 4.550 -0.066 0.000 0.342 39 Y C -2.554 173.340 175.900 -0.009 0.000 1.203 39 Y CA -3.443 54.633 58.100 -0.038 0.000 1.092 39 Y CB 0.791 39.230 38.460 -0.035 0.000 1.345 39 Y HN -1.248 6.795 8.280 -0.433 -0.023 0.458 40 H N 2.550 121.574 119.070 -0.077 0.000 2.690 40 H HA 0.140 4.648 4.556 -0.356 -0.166 0.314 40 H C -0.404 174.920 175.328 -0.007 0.000 1.069 40 H CA -0.760 55.166 56.048 -0.203 0.000 1.436 40 H CB 0.549 30.169 29.762 -0.236 0.000 1.462 40 H HN 0.267 8.646 8.280 0.165 0.000 0.511 41 F N 2.522 122.071 119.950 -0.668 0.000 2.834 41 F HA 0.347 4.792 4.527 -0.137 0.000 0.332 41 F C -1.387 174.167 175.800 -0.410 0.000 1.056 41 F CA -0.673 57.116 58.000 -0.353 0.000 1.178 41 F CB 1.528 40.415 39.000 -0.187 0.000 1.037 41 F HN -0.028 7.558 8.300 -1.189 0.000 0.580 42 c N -1.443 116.505 118.600 -1.088 0.000 3.306 42 c HA 0.361 4.859 4.570 -0.205 -0.051 0.335 42 c C -1.638 172.252 174.090 -0.333 0.000 1.382 42 c CA -0.227 55.800 56.329 -0.503 0.000 1.254 42 c CB 4.027 46.331 42.510 -0.342 0.000 1.555 42 c HN -0.816 6.452 8.230 -1.602 0.000 0.463 43 G N -0.990 107.809 108.800 -0.003 0.000 2.705 43 G HA2 0.824 5.086 3.960 0.260 0.000 0.299 43 G HA3 0.824 4.919 3.960 0.224 0.000 0.299 43 G C -2.515 172.415 174.900 0.051 0.000 1.315 43 G CA -1.649 43.546 45.100 0.158 0.000 1.045 43 G HN 0.712 9.008 8.290 0.009 0.000 0.517 44 G N -4.053 104.807 108.800 0.099 0.000 2.495 44 G HA2 0.507 4.808 3.960 0.073 0.000 0.294 44 G HA3 0.507 4.500 3.960 0.055 0.000 0.294 44 G C -2.870 172.113 174.900 0.138 0.000 1.397 44 G CA 0.369 45.519 45.100 0.084 0.000 0.790 44 G HN -0.615 7.765 8.290 0.150 0.000 0.486 45 S N -0.630 115.157 115.700 0.145 0.000 2.521 45 S HA 0.804 5.632 4.470 0.265 -0.199 0.295 45 S C -1.381 173.320 174.600 0.170 0.000 1.098 45 S CA -0.854 57.465 58.200 0.199 0.000 0.999 45 S CB 3.867 67.170 63.200 0.170 0.000 1.034 45 S HN 0.457 8.840 8.310 0.121 0.000 0.483 46 L N 6.164 127.504 121.223 0.195 0.000 2.315 46 L HA 0.187 4.724 4.340 0.147 -0.109 0.283 46 L C -0.759 176.196 176.870 0.141 0.000 1.089 46 L CA -0.175 54.761 54.840 0.160 0.000 0.833 46 L CB 0.934 43.087 42.059 0.157 0.000 1.170 46 L HN 0.612 8.890 8.230 0.258 0.107 0.442 47 I N 0.612 121.262 120.570 0.133 0.000 4.057 47 I HA 0.502 4.873 4.170 0.065 -0.161 0.334 47 I C -0.983 175.192 176.117 0.097 0.000 1.308 47 I CA -0.698 60.658 61.300 0.093 0.000 1.125 47 I CB 0.494 38.538 38.000 0.074 0.000 1.034 47 I HN 0.293 8.599 8.210 0.161 0.000 0.401 48 N N -1.978 116.801 118.700 0.131 0.000 3.339 48 N HA 0.143 4.939 4.740 0.093 0.000 0.275 48 N C -0.935 174.652 175.510 0.129 0.000 1.514 48 N CA -0.523 52.602 53.050 0.124 0.000 0.879 48 N CB 0.556 39.129 38.487 0.143 0.000 1.557 48 N HN -0.922 7.550 8.380 0.153 0.000 0.524 49 S N -4.046 111.719 115.700 0.108 0.000 2.555 49 S HA -0.261 4.252 4.470 0.071 0.000 0.230 49 S C 0.670 175.301 174.600 0.053 0.000 0.978 49 S CA 2.532 60.778 58.200 0.076 0.000 0.934 49 S CB -0.029 63.204 63.200 0.056 0.000 0.766 49 S HN 0.319 8.691 8.310 0.103 0.000 0.533 50 Q N -0.249 119.596 119.800 0.074 0.000 2.140 50 Q HA 0.342 4.625 4.340 -0.095 0.000 0.227 50 Q C -2.196 173.673 176.000 -0.218 0.000 0.798 50 Q CA -0.310 55.442 55.803 -0.086 0.000 0.987 50 Q CB 2.965 31.623 28.738 -0.132 0.000 1.161 50 Q HN 0.155 8.843 8.270 0.169 -0.316 0.480 51 W N -1.781 119.527 121.300 0.014 0.000 2.819 51 W HA 0.693 5.553 4.660 0.012 -0.193 0.337 51 W C -1.399 175.136 176.519 0.027 0.000 1.077 51 W CA -1.090 56.263 57.345 0.013 0.000 1.226 51 W CB 3.673 33.132 29.460 -0.002 0.000 1.419 51 W HN -0.060 8.462 8.180 0.263 -0.185 0.502 52 V N 1.292 121.368 119.914 0.270 0.000 2.769 52 V HA 0.790 5.193 4.120 0.172 -0.180 0.312 52 V C -1.418 174.794 176.094 0.196 0.000 1.061 52 V CA -1.726 60.684 62.300 0.182 0.000 0.931 52 V CB 3.692 35.579 31.823 0.106 0.000 1.010 52 V HN 0.884 9.247 8.190 0.288 0.000 0.433 53 V N 5.909 125.914 119.914 0.153 0.000 2.495 53 V HA 0.787 5.187 4.120 0.161 -0.183 0.298 53 V C -1.283 174.869 176.094 0.097 0.000 1.031 53 V CA -1.308 61.074 62.300 0.137 0.000 0.871 53 V CB 2.126 34.023 31.823 0.123 0.000 0.988 53 V HN 0.647 8.921 8.190 0.140 0.000 0.432 54 S N 4.534 120.279 115.700 0.074 0.000 2.998 54 S HA 0.579 5.272 4.470 0.032 -0.205 0.321 54 S C -2.041 172.547 174.600 -0.019 0.000 1.171 54 S CA -2.641 55.574 58.200 0.025 0.000 0.882 54 S CB 2.517 65.722 63.200 0.008 0.000 1.301 54 S HN 0.697 9.062 8.310 0.091 0.000 0.629 55 A N -0.655 122.112 122.820 -0.088 0.000 2.303 55 A HA 0.407 4.806 4.320 -0.121 -0.152 0.317 55 A C 0.844 178.298 177.584 -0.216 0.000 1.149 55 A CA -1.563 50.375 52.037 -0.166 0.000 0.822 55 A CB 1.534 20.372 19.000 -0.270 0.000 1.131 55 A HN 0.229 8.319 8.150 -0.100 0.000 0.493 56 A N 4.795 127.437 122.820 -0.297 0.000 1.933 56 A HA -0.266 3.895 4.320 -0.264 0.000 0.218 56 A C 1.452 178.787 177.584 -0.415 0.000 1.175 56 A CA 2.997 54.743 52.037 -0.486 0.000 0.628 56 A CB -0.420 17.893 19.000 -1.145 0.000 0.814 56 A HN 0.628 8.610 8.150 -0.274 0.003 0.444 57 H N -4.916 113.972 119.070 -0.304 0.000 2.563 57 H HA -0.091 4.473 4.556 0.012 0.000 0.272 57 H C 0.308 175.678 175.328 0.071 0.000 1.005 57 H CA 1.519 57.553 56.048 -0.023 0.000 1.171 57 H CB -0.994 28.836 29.762 0.113 0.000 1.351 57 H HN 0.098 8.552 8.280 -0.241 -0.319 0.602 58 c N -1.089 117.425 118.600 -0.144 0.000 2.697 58 c HA -0.055 4.593 4.570 0.128 0.000 0.267 58 c C -0.913 173.269 174.090 0.153 0.000 1.278 58 c CA 0.315 56.669 56.329 0.043 0.000 1.708 58 c CB -1.574 40.933 42.510 -0.006 0.000 1.860 58 c HN -0.646 7.253 8.230 -0.242 0.186 0.589 59 Y N 2.362 122.665 120.300 0.005 0.000 2.610 59 Y HA -0.210 4.363 4.550 0.038 0.000 0.332 59 Y C -1.315 174.568 175.900 -0.029 0.000 1.201 59 Y CA 1.551 59.656 58.100 0.008 0.000 1.465 59 Y CB 0.824 39.275 38.460 -0.014 0.000 1.283 59 Y HN -0.487 7.707 8.280 0.164 0.185 0.563 60 K N 6.437 126.162 120.400 -1.125 0.000 2.672 60 K HA 0.218 4.114 4.320 -0.707 0.000 0.295 60 K C -2.269 173.828 176.600 -0.838 0.000 1.042 60 K CA -1.027 54.755 56.287 -0.841 0.000 0.869 60 K CB 2.551 34.703 32.500 -0.580 0.000 1.541 60 K HN -0.156 7.386 8.250 -1.179 0.000 0.396 61 S N -0.723 114.699 115.700 -0.463 0.000 2.690 61 S HA 0.150 4.447 4.470 -0.289 0.000 0.291 61 S C 0.666 175.141 174.600 -0.209 0.000 1.138 61 S CA -0.472 57.563 58.200 -0.275 0.000 1.013 61 S CB 1.465 64.587 63.200 -0.130 0.000 1.053 61 S HN -0.184 7.915 8.310 -0.353 0.000 0.539 62 G N 0.019 108.736 108.800 -0.137 0.000 2.248 62 G HA2 -0.238 3.672 3.960 -0.083 0.000 0.263 62 G HA3 -0.238 3.653 3.960 -0.115 0.000 0.263 62 G C -1.566 173.271 174.900 -0.106 0.000 1.082 62 G CA 0.136 45.170 45.100 -0.110 0.000 0.863 62 G HN 0.304 8.527 8.290 -0.112 0.000 0.495 63 I N -1.005 119.513 120.570 -0.086 0.000 2.365 63 I HA 0.053 4.345 4.170 0.010 -0.115 0.291 63 I C -1.651 174.426 176.117 -0.066 0.000 1.004 63 I CA -0.635 60.644 61.300 -0.036 0.000 1.311 63 I CB 0.676 38.675 38.000 -0.002 0.000 1.401 63 I HN -0.470 7.684 8.210 -0.093 0.000 0.491 64 Q N 7.301 127.044 119.800 -0.095 0.000 3.184 64 Q HA 0.597 4.982 4.340 -0.090 -0.098 0.236 64 Q C -1.664 174.242 176.000 -0.158 0.000 1.038 64 Q CA -1.991 53.736 55.803 -0.126 0.000 0.857 64 Q CB 4.318 32.947 28.738 -0.182 0.000 1.957 64 Q HN 0.605 8.819 8.270 -0.093 0.000 0.453 65 R N -2.751 117.687 120.500 -0.104 0.000 3.262 65 R HA 0.416 5.021 4.340 0.139 -0.181 0.270 65 R C -1.323 175.012 176.300 0.059 0.000 1.147 65 R CA 0.010 56.096 56.100 -0.023 0.000 1.189 65 R CB 2.261 32.404 30.300 -0.260 0.000 1.271 65 R HN 0.669 8.859 8.270 -0.134 0.000 0.447 70 E N -0.330 119.962 120.200 0.153 0.000 2.283 70 E HA 0.116 4.538 4.350 0.121 0.000 0.271 70 E C -1.804 174.973 176.600 0.295 0.000 1.031 70 E CA 0.279 56.784 56.400 0.175 0.000 0.868 70 E CB 1.495 31.234 29.700 0.064 0.000 1.094 70 E HN -0.630 7.799 8.360 0.175 0.036 0.401 71 D N 1.210 121.757 120.400 0.247 0.000 2.957 71 D HA 0.063 4.920 4.640 0.363 0.000 0.175 71 D C -1.044 175.446 176.300 0.316 0.000 1.502 71 D CA 0.984 55.151 54.000 0.279 0.000 1.524 71 D CB 2.467 43.349 40.800 0.137 0.000 1.300 71 D HN 0.107 8.569 8.370 0.154 0.000 0.241 72 N N 1.115 119.909 118.700 0.156 0.000 2.401 72 N HA 0.149 5.109 4.740 0.154 -0.128 0.255 72 N C 2.100 177.598 175.510 -0.019 0.000 1.110 72 N CA -0.502 52.607 53.050 0.098 0.000 0.949 72 N CB 0.347 38.872 38.487 0.063 0.000 1.110 72 N HN -0.460 8.270 8.380 0.117 -0.280 0.490 73 I N 0.689 121.148 120.570 -0.185 0.000 3.444 73 I HA -0.086 4.048 4.170 -0.298 -0.143 0.287 73 I C -0.673 175.342 176.117 -0.170 0.000 1.302 73 I CA 1.212 62.307 61.300 -0.342 0.000 1.368 73 I CB -0.949 36.591 38.000 -0.767 0.000 1.048 73 I HN 0.378 8.479 8.210 -0.181 0.000 0.487 74 N N -2.234 116.418 118.700 -0.081 0.000 2.220 74 N HA 0.143 4.858 4.740 -0.041 0.000 0.195 74 N C -0.930 174.581 175.510 0.001 0.000 1.123 74 N CA 0.025 53.056 53.050 -0.033 0.000 0.874 74 N CB 2.325 40.804 38.487 -0.014 0.000 0.995 74 N HN -0.124 8.488 8.380 -0.058 -0.266 0.498 75 V N 0.437 120.356 119.914 0.009 0.000 2.588 75 V HA 0.055 4.188 4.120 0.022 0.000 0.304 75 V C -1.361 174.750 176.094 0.028 0.000 1.042 75 V CA -1.067 61.246 62.300 0.021 0.000 0.877 75 V CB 2.996 34.831 31.823 0.020 0.000 0.996 75 V HN -0.824 7.407 8.190 -0.002 -0.043 0.425 76 V N 7.734 127.662 119.914 0.023 0.000 2.387 76 V HA -0.184 4.169 4.120 0.008 -0.228 0.260 76 V C 0.187 176.274 176.094 -0.011 0.000 1.054 76 V CA 0.723 63.022 62.300 -0.002 0.000 0.967 76 V CB -0.337 31.465 31.823 -0.035 0.000 1.036 76 V HN 0.324 8.527 8.190 0.021 0.000 0.481 77 E N 8.023 128.219 120.200 -0.006 0.000 2.460 77 E HA 0.120 4.468 4.350 -0.002 0.000 0.200 77 E C -0.189 176.403 176.600 -0.014 0.000 1.011 77 E CA -0.389 56.009 56.400 -0.002 0.000 0.912 77 E CB 0.673 30.382 29.700 0.015 0.000 0.953 77 E HN 0.330 9.109 8.360 -0.001 -0.420 0.494 78 G N 0.066 108.847 108.800 -0.031 0.000 2.576 78 G HA2 -0.224 3.698 3.960 -0.064 0.000 0.686 78 G HA3 -0.224 3.719 3.960 -0.030 0.000 0.686 78 G C -1.690 173.191 174.900 -0.031 0.000 1.242 78 G CA -0.720 44.355 45.100 -0.041 0.000 0.819 78 G HN -0.479 8.122 8.290 -0.040 -0.335 0.655 79 N N -3.830 114.846 118.700 -0.040 0.000 2.994 79 N HA -0.277 4.448 4.740 -0.025 0.000 0.221 79 N C -1.030 174.463 175.510 -0.027 0.000 0.900 79 N CA 1.246 54.282 53.050 -0.023 0.000 1.008 79 N CB -0.224 38.265 38.487 0.002 0.000 1.053 79 N HN 0.165 8.512 8.380 -0.055 0.000 0.580 80 E N -1.146 119.014 120.200 -0.067 0.000 2.373 80 E HA 0.177 4.771 4.350 0.023 -0.230 0.263 80 E C -0.170 176.345 176.600 -0.141 0.000 1.073 80 E CA 0.497 56.852 56.400 -0.075 0.000 0.894 80 E CB 0.621 30.211 29.700 -0.183 0.000 1.008 80 E HN -0.224 7.995 8.360 -0.089 0.088 0.420 81 Q N 1.087 120.873 119.800 -0.024 0.000 2.263 81 Q HA 0.264 4.540 4.340 -0.106 0.000 0.266 81 Q C -1.598 174.539 176.000 0.230 0.000 1.002 81 Q CA -1.109 54.694 55.803 -0.001 0.000 0.790 81 Q CB 3.062 31.817 28.738 0.027 0.000 1.272 81 Q HN 0.150 8.482 8.270 0.104 0.000 0.435 82 F N 3.617 123.546 119.950 -0.035 0.000 2.388 82 F HA 0.431 5.102 4.527 -0.051 -0.174 0.358 82 F C -0.211 175.564 175.800 -0.042 0.000 1.122 82 F CA -2.952 55.021 58.000 -0.044 0.000 1.056 82 F CB 0.799 39.770 39.000 -0.047 0.000 1.155 82 F HN 0.386 8.712 8.300 0.043 0.000 0.461 83 I N 4.008 124.649 120.570 0.119 0.000 2.545 83 I HA 0.252 4.449 4.170 0.045 0.000 0.292 83 I C -1.274 174.840 176.117 -0.005 0.000 1.040 83 I CA -1.473 59.851 61.300 0.041 0.000 1.068 83 I CB 3.953 41.963 38.000 0.016 0.000 1.251 83 I HN 0.895 9.160 8.210 0.093 0.000 0.424 84 S N 4.965 120.654 115.700 -0.018 0.000 2.592 84 S HA 0.131 4.686 4.470 -0.048 -0.114 0.271 84 S C -0.490 174.075 174.600 -0.058 0.000 1.326 84 S CA 0.570 58.745 58.200 -0.040 0.000 1.024 84 S CB 1.083 64.262 63.200 -0.036 0.000 0.921 84 S HN 0.410 8.715 8.310 -0.009 0.000 0.527 85 A N 2.877 125.659 122.820 -0.063 0.000 2.363 85 A HA 0.204 4.572 4.320 -0.098 -0.107 0.270 85 A C -0.296 177.241 177.584 -0.078 0.000 1.121 85 A CA -0.367 51.624 52.037 -0.076 0.000 0.800 85 A CB 0.648 19.616 19.000 -0.053 0.000 1.052 85 A HN -0.181 7.934 8.150 -0.058 0.000 0.493 86 S N 3.352 118.984 115.700 -0.112 0.000 2.441 86 S HA 0.059 4.488 4.470 -0.068 0.000 0.224 86 S C 0.371 174.932 174.600 -0.065 0.000 1.043 86 S CA 1.391 59.535 58.200 -0.094 0.000 0.948 86 S CB 0.961 64.081 63.200 -0.133 0.000 0.810 86 S HN 0.892 8.984 8.310 -0.161 0.121 0.504 87 K N -0.212 120.143 120.400 -0.076 0.000 2.568 87 K HA 0.270 4.612 4.320 0.038 0.000 0.273 87 K C -2.398 174.230 176.600 0.047 0.000 0.951 87 K CA -0.498 55.792 56.287 0.004 0.000 0.854 87 K CB 3.374 35.883 32.500 0.016 0.000 1.424 87 K HN -0.750 7.418 8.250 -0.136 0.000 0.427 88 S N 1.061 116.848 115.700 0.145 0.000 2.500 88 S HA 0.729 5.476 4.470 0.182 -0.168 0.301 88 S C -0.832 173.895 174.600 0.211 0.000 1.092 88 S CA -0.475 57.854 58.200 0.215 0.000 1.030 88 S CB 2.778 66.180 63.200 0.337 0.000 1.031 88 S HN 0.182 8.593 8.310 0.168 0.000 0.483 89 I N 7.188 127.892 120.570 0.223 0.000 2.405 89 I HA 0.107 4.361 4.170 0.141 0.000 0.280 89 I C -1.472 174.779 176.117 0.224 0.000 1.027 89 I CA -0.856 60.567 61.300 0.204 0.000 1.161 89 I CB 1.204 39.342 38.000 0.231 0.000 1.300 89 I HN 1.061 9.315 8.210 0.256 0.110 0.463 90 V N 8.008 127.979 119.914 0.094 0.000 2.686 90 V HA -0.180 3.972 4.120 0.054 0.000 0.295 90 V C -0.239 175.930 176.094 0.125 0.000 1.055 90 V CA -0.347 61.979 62.300 0.042 0.000 1.050 90 V CB 0.831 32.580 31.823 -0.123 0.000 0.984 90 V HN 0.364 8.561 8.190 0.011 0.000 0.482 91 H N 8.926 127.970 119.070 -0.043 0.000 3.034 91 H HA -0.030 4.403 4.556 -0.205 0.000 0.324 91 H C -0.529 174.774 175.328 -0.042 0.000 1.015 91 H CA 0.376 56.290 56.048 -0.222 0.000 1.429 91 H CB 1.557 31.002 29.762 -0.529 0.000 1.429 91 H HN -0.232 8.081 8.280 0.056 0.000 0.585 92 P HA -0.087 4.350 4.420 0.029 0.000 0.219 92 P C -0.437 176.923 177.300 0.100 0.000 1.146 92 P CA 1.388 64.475 63.100 -0.022 0.000 0.808 92 P CB 0.379 32.041 31.700 -0.063 0.000 0.779 93 S N -3.363 112.499 115.700 0.271 0.000 2.583 93 S HA 0.036 4.567 4.470 0.102 0.000 0.239 93 S C -0.595 174.104 174.600 0.165 0.000 0.966 93 S CA 0.003 58.325 58.200 0.203 0.000 0.973 93 S CB 0.342 63.661 63.200 0.198 0.000 0.794 93 S HN -0.428 8.147 8.310 0.499 0.034 0.463 94 Y N 3.672 124.021 120.300 0.081 0.000 2.511 94 Y HA -0.290 4.409 4.550 -0.053 -0.181 0.332 94 Y C -1.046 174.846 175.900 -0.014 0.000 1.177 94 Y CA 0.698 58.796 58.100 -0.003 0.000 1.422 94 Y CB 0.902 39.365 38.460 0.005 0.000 1.271 94 Y HN -0.744 7.650 8.280 0.333 0.085 0.550 95 N N 7.025 125.356 118.700 -0.616 0.000 2.443 95 N HA 0.217 4.670 4.740 -0.480 0.000 0.269 95 N C -0.271 174.712 175.510 -0.877 0.000 0.985 95 N CA -1.248 51.458 53.050 -0.573 0.000 0.921 95 N CB 1.950 40.272 38.487 -0.276 0.000 1.195 95 N HN -0.105 8.044 8.380 -0.384 0.000 0.492 96 S N 6.559 121.753 115.700 -0.844 0.000 2.515 96 S HA -0.039 4.066 4.470 -0.608 0.000 0.231 96 S C 0.633 175.061 174.600 -0.287 0.000 0.987 96 S CA 2.153 60.026 58.200 -0.545 0.000 0.936 96 S CB -0.153 62.891 63.200 -0.260 0.000 0.766 96 S HN 0.619 8.537 8.310 -0.653 0.000 0.528 97 N N 2.040 120.574 118.700 -0.277 0.000 2.368 97 N HA 0.045 4.667 4.740 -0.197 0.000 0.176 97 N C 1.002 176.360 175.510 -0.255 0.000 1.021 97 N CA 2.252 55.171 53.050 -0.218 0.000 0.888 97 N CB 0.671 39.056 38.487 -0.170 0.000 0.995 97 N HN 0.339 8.758 8.380 -0.310 -0.225 0.437 98 T N -4.348 110.051 114.554 -0.258 0.000 2.990 98 T HA 0.102 4.259 4.350 -0.320 0.000 0.250 98 T C 0.090 174.616 174.700 -0.291 0.000 1.041 98 T CA 0.178 62.117 62.100 -0.268 0.000 1.010 98 T CB 1.853 70.616 68.868 -0.174 0.000 1.003 98 T HN -0.259 8.127 8.240 -0.259 -0.302 0.499 99 L N -3.287 117.802 121.223 -0.223 0.000 4.089 99 L HA -0.509 3.978 4.340 0.107 -0.083 0.408 99 L C -1.840 175.072 176.870 0.070 0.000 1.184 99 L CA 0.402 55.222 54.840 -0.033 0.000 0.947 99 L CB -2.666 39.326 42.059 -0.112 0.000 2.066 99 L HN -0.201 7.870 8.230 -0.265 0.000 0.851 100 N N -0.956 117.739 118.700 -0.009 0.000 2.530 100 N HA -0.142 4.645 4.740 0.079 0.000 0.273 100 N C -0.041 175.512 175.510 0.071 0.000 1.173 100 N CA 0.608 53.680 53.050 0.036 0.000 0.967 100 N CB 1.213 39.692 38.487 -0.012 0.000 1.109 100 N HN -0.705 7.572 8.380 -0.101 0.043 0.453 101 N N -0.975 117.758 118.700 0.053 0.000 2.756 101 N HA -0.469 4.189 4.740 -0.137 0.000 0.248 101 N C -1.397 174.076 175.510 -0.063 0.000 1.062 101 N CA 1.367 54.345 53.050 -0.120 0.000 0.696 101 N CB -1.557 36.733 38.487 -0.330 0.000 0.946 101 N HN 0.633 9.069 8.380 0.094 0.000 0.548 102 D N -1.046 119.359 120.400 0.008 0.000 2.619 102 D HA 0.080 4.688 4.640 -0.054 0.000 0.224 102 D C -1.707 174.492 176.300 -0.169 0.000 1.133 102 D CA -0.469 53.529 54.000 -0.004 0.000 1.017 102 D CB -0.636 40.267 40.800 0.172 0.000 1.077 102 D HN -0.097 8.297 8.370 0.039 0.000 0.503 103 I N 2.081 122.486 120.570 -0.275 0.000 2.802 103 I HA 0.627 4.884 4.170 -0.146 -0.174 0.298 103 I C -3.026 173.033 176.117 -0.096 0.000 1.176 103 I CA -1.564 59.601 61.300 -0.225 0.000 1.025 103 I CB 4.154 41.878 38.000 -0.460 0.000 1.243 103 I HN -0.240 7.753 8.210 -0.292 0.042 0.424 104 M N 6.135 125.755 119.600 0.033 0.000 2.470 104 M HA 0.686 5.474 4.480 0.221 -0.175 0.285 104 M C -2.775 173.655 176.300 0.216 0.000 1.213 104 M CA -1.005 54.382 55.300 0.145 0.000 0.901 104 M CB 4.819 37.462 32.600 0.071 0.000 1.718 104 M HN 0.396 8.702 8.290 0.028 0.000 0.469 105 L N 3.130 124.524 121.223 0.286 0.000 2.334 105 L HA 0.901 5.583 4.340 0.274 -0.177 0.276 105 L C -1.308 175.761 176.870 0.333 0.000 1.014 105 L CA -1.512 53.515 54.840 0.312 0.000 0.815 105 L CB 3.269 45.487 42.059 0.265 0.000 1.268 105 L HN 0.299 8.720 8.230 0.318 0.000 0.428 106 I N 0.871 121.620 120.570 0.299 0.000 2.465 106 I HA 0.556 4.957 4.170 0.113 -0.163 0.291 106 I C -1.658 174.410 176.117 -0.083 0.000 1.014 106 I CA -1.351 60.020 61.300 0.117 0.000 1.093 106 I CB 3.212 41.250 38.000 0.063 0.000 1.267 106 I HN 0.989 9.298 8.210 0.332 0.100 0.431 107 K N 6.523 126.681 120.400 -0.404 0.000 2.159 107 K HA 0.656 4.337 4.320 -1.319 -0.153 0.266 107 K C -1.116 175.202 176.600 -0.470 0.000 0.975 107 K CA -1.835 53.875 56.287 -0.962 0.000 0.865 107 K CB 3.057 34.820 32.500 -1.228 0.000 1.087 107 K HN 0.786 8.888 8.250 -0.247 0.000 0.446 108 L N 4.464 125.438 121.223 -0.415 0.000 2.375 108 L HA 0.264 4.622 4.340 -0.166 -0.117 0.271 108 L C 1.833 178.585 176.870 -0.197 0.000 1.107 108 L CA -0.187 54.522 54.840 -0.219 0.000 0.806 108 L CB 0.455 42.425 42.059 -0.148 0.000 1.146 108 L HN 0.858 8.659 8.230 -0.542 0.104 0.447 109 K N 3.357 123.681 120.400 -0.126 0.000 2.057 109 K HA -0.327 3.930 4.320 -0.105 0.000 0.207 109 K C -0.560 175.992 176.600 -0.080 0.000 1.049 109 K CA 2.673 58.903 56.287 -0.094 0.000 0.931 109 K CB 0.386 32.849 32.500 -0.061 0.000 0.714 109 K HN 0.693 8.881 8.250 -0.104 0.000 0.440 110 S N -3.981 111.679 115.700 -0.066 0.000 2.632 110 S HA 0.125 4.565 4.470 -0.050 0.000 0.289 110 S C -1.739 172.832 174.600 -0.048 0.000 1.115 110 S CA -1.041 57.130 58.200 -0.048 0.000 0.889 110 S CB 2.812 65.995 63.200 -0.029 0.000 1.116 110 S HN -0.333 7.940 8.310 -0.062 0.000 0.486 111 A N -0.526 122.274 122.820 -0.032 0.000 2.332 111 A HA 0.182 4.620 4.320 -0.032 -0.137 0.258 111 A C -0.406 177.174 177.584 -0.006 0.000 1.087 111 A CA -0.272 51.754 52.037 -0.019 0.000 0.802 111 A CB 0.649 19.648 19.000 -0.002 0.000 1.042 111 A HN 0.185 8.319 8.150 -0.026 0.000 0.489 112 A N -0.090 122.734 122.820 0.006 0.000 2.286 112 A HA 0.275 4.672 4.320 0.011 -0.071 0.286 112 A C -0.629 176.967 177.584 0.019 0.000 1.097 112 A CA -1.575 50.471 52.037 0.016 0.000 0.821 112 A CB 1.671 20.689 19.000 0.030 0.000 1.076 112 A HN 0.290 8.339 8.150 0.010 0.108 0.490 113 S N 0.548 116.257 115.700 0.016 0.000 2.430 113 S HA 0.073 4.552 4.470 0.015 0.000 0.289 113 S C -0.479 174.135 174.600 0.023 0.000 1.143 113 S CA -0.408 57.801 58.200 0.015 0.000 1.067 113 S CB 0.427 63.630 63.200 0.006 0.000 0.964 113 S HN -0.006 8.641 8.310 0.013 -0.328 0.485 114 L N 6.108 127.347 121.223 0.028 0.000 2.375 114 L HA 0.232 4.730 4.340 0.040 -0.134 0.271 114 L C -0.363 176.524 176.870 0.029 0.000 1.107 114 L CA -0.217 54.644 54.840 0.036 0.000 0.806 114 L CB 0.595 42.679 42.059 0.042 0.000 1.146 114 L HN 0.209 8.455 8.230 0.027 0.000 0.447 115 N N 2.644 121.363 118.700 0.031 0.000 3.575 115 N HA 0.147 4.901 4.740 0.024 0.000 0.343 115 N C -1.420 174.108 175.510 0.030 0.000 1.574 115 N CA -0.571 52.494 53.050 0.025 0.000 0.832 115 N CB 0.572 39.070 38.487 0.018 0.000 2.151 115 N HN 0.389 8.683 8.380 0.038 0.108 0.552 116 S N -3.207 112.508 115.700 0.025 0.000 2.470 116 S HA -0.121 4.370 4.470 0.034 0.000 0.225 116 S C 0.683 175.300 174.600 0.028 0.000 1.006 116 S CA 1.975 60.192 58.200 0.028 0.000 0.934 116 S CB 0.128 63.341 63.200 0.022 0.000 0.778 116 S HN 0.053 8.375 8.310 0.020 0.000 0.517 117 R N -1.022 119.492 120.500 0.024 0.000 2.254 117 R HA 0.162 4.511 4.340 0.016 0.000 0.195 117 R C -1.052 175.264 176.300 0.027 0.000 0.957 117 R CA -0.039 56.074 56.100 0.021 0.000 1.024 117 R CB 0.946 31.257 30.300 0.018 0.000 0.952 117 R HN -0.019 8.512 8.270 0.022 -0.248 0.484 118 V N -1.547 118.389 119.914 0.037 0.000 2.447 118 V HA 0.271 4.611 4.120 0.052 -0.189 0.292 118 V C -2.173 173.960 176.094 0.065 0.000 1.021 118 V CA -1.031 61.300 62.300 0.051 0.000 0.850 118 V CB 2.296 34.147 31.823 0.046 0.000 1.005 118 V HN -0.198 8.261 8.190 0.035 -0.249 0.426 119 A N 6.756 129.630 122.820 0.092 0.000 2.515 119 A HA 0.496 4.868 4.320 0.086 0.000 0.296 119 A C -2.662 175.013 177.584 0.152 0.000 1.094 119 A CA -1.254 50.849 52.037 0.109 0.000 0.718 119 A CB 3.354 22.421 19.000 0.112 0.000 1.307 119 A HN 0.179 8.273 8.150 0.099 0.116 0.408 120 S N -1.520 114.254 115.700 0.123 0.000 2.713 120 S HA 0.655 5.360 4.470 0.161 -0.138 0.283 120 S C -0.623 174.028 174.600 0.085 0.000 1.161 120 S CA -1.407 56.866 58.200 0.122 0.000 0.999 120 S CB 1.871 65.123 63.200 0.087 0.000 1.039 120 S HN -0.010 8.358 8.310 0.096 0.000 0.548 121 I N 0.325 120.900 120.570 0.009 0.000 2.603 121 I HA 0.222 4.321 4.170 -0.119 0.000 0.300 121 I C -1.162 174.906 176.117 -0.081 0.000 1.017 121 I CA -1.663 59.549 61.300 -0.147 0.000 1.098 121 I CB 4.160 41.847 38.000 -0.521 0.000 1.279 121 I HN 0.192 8.423 8.210 0.035 0.000 0.437 122 S N 6.366 122.016 115.700 -0.083 0.000 2.584 122 S HA 0.209 4.663 4.470 -0.026 0.000 0.273 122 S C -0.649 173.923 174.600 -0.046 0.000 1.311 122 S CA -0.106 58.066 58.200 -0.047 0.000 1.034 122 S CB 0.738 63.914 63.200 -0.038 0.000 0.939 122 S HN 0.282 8.530 8.310 -0.104 0.000 0.513 123 L N 2.792 124.003 121.223 -0.021 0.000 2.439 123 L HA 0.154 4.493 4.340 -0.001 0.000 0.261 123 L C -1.311 175.555 176.870 -0.007 0.000 1.153 123 L CA -2.020 52.819 54.840 -0.003 0.000 0.808 123 L CB 0.106 42.174 42.059 0.014 0.000 1.126 123 L HN 0.200 8.421 8.230 -0.015 0.000 0.460 124 P HA 0.150 4.559 4.420 -0.020 0.000 0.279 124 P C -1.270 176.028 177.300 -0.003 0.000 1.252 124 P CA -0.759 62.335 63.100 -0.009 0.000 0.811 124 P CB 0.661 32.353 31.700 -0.013 0.000 1.035 128 c N 0.642 119.215 118.600 -0.046 0.000 2.595 128 c HA 0.055 4.581 4.570 -0.073 0.000 0.384 128 c C 0.083 174.112 174.090 -0.102 0.000 1.289 128 c CA -0.619 55.667 56.329 -0.073 0.000 2.372 128 c CB 0.383 42.853 42.510 -0.066 0.000 2.593 128 c HN -0.035 8.171 8.230 -0.040 0.000 0.639 129 A N 0.863 123.587 122.820 -0.161 0.000 2.264 129 A HA 0.092 4.339 4.320 -0.121 0.000 0.304 129 A C -0.917 176.567 177.584 -0.166 0.000 1.100 129 A CA -0.370 51.566 52.037 -0.169 0.000 0.839 129 A CB 1.246 20.110 19.000 -0.227 0.000 1.121 129 A HN 0.221 8.247 8.150 -0.207 0.000 0.496 133 G N 1.492 110.255 108.800 -0.061 0.000 2.284 133 G HA2 -0.246 3.684 3.960 -0.050 0.000 0.230 133 G HA3 -0.246 3.688 3.960 -0.043 0.000 0.230 133 G C 0.365 175.230 174.900 -0.059 0.000 1.021 133 G CA -0.055 45.013 45.100 -0.053 0.000 0.619 133 G HN 0.715 8.860 8.290 -0.063 0.107 0.510 134 T N 3.914 118.422 114.554 -0.076 0.000 2.908 134 T HA -0.243 4.072 4.350 -0.059 0.000 0.301 134 T C -1.060 173.597 174.700 -0.071 0.000 1.019 134 T CA 2.630 64.684 62.100 -0.077 0.000 1.152 134 T CB 0.546 69.349 68.868 -0.108 0.000 0.966 134 T HN -0.609 7.489 8.240 -0.087 0.089 0.540 135 Q N 5.998 125.770 119.800 -0.047 0.000 2.256 135 Q HA 0.191 4.630 4.340 -0.037 -0.121 0.254 135 Q C -0.826 175.159 176.000 -0.026 0.000 0.916 135 Q CA 0.228 56.014 55.803 -0.028 0.000 0.932 135 Q CB 1.352 30.089 28.738 -0.002 0.000 1.207 135 Q HN 0.183 8.429 8.270 -0.040 0.000 0.426 136 c N 3.680 122.266 118.600 -0.024 0.000 2.913 136 c HA 0.647 5.324 4.570 -0.014 -0.116 0.322 136 c C -1.816 172.281 174.090 0.011 0.000 1.292 136 c CA -1.648 54.669 56.329 -0.019 0.000 1.649 136 c CB 4.250 46.730 42.510 -0.050 0.000 2.139 136 c HN 0.748 8.962 8.230 -0.026 0.000 0.475 137 L N 0.606 121.843 121.223 0.023 0.000 2.333 137 L HA 0.898 5.447 4.340 0.050 -0.179 0.280 137 L C -2.263 174.620 176.870 0.022 0.000 1.004 137 L CA -1.333 53.533 54.840 0.043 0.000 0.820 137 L CB 3.336 45.443 42.059 0.079 0.000 1.247 137 L HN 0.493 8.734 8.230 0.018 0.000 0.416 138 I N 6.858 127.425 120.570 -0.006 0.000 2.530 138 I HA 0.909 5.322 4.170 0.009 -0.238 0.297 138 I C -1.321 174.761 176.117 -0.058 0.000 1.011 138 I CA -1.632 59.660 61.300 -0.013 0.000 1.107 138 I CB 3.027 41.019 38.000 -0.014 0.000 1.285 138 I HN 0.834 9.040 8.210 -0.007 0.000 0.436 139 S N 1.707 117.367 115.700 -0.068 0.000 2.651 139 S HA 1.038 5.536 4.470 -0.226 -0.163 0.279 139 S C -1.141 173.336 174.600 -0.204 0.000 1.148 139 S CA -1.756 56.330 58.200 -0.190 0.000 0.837 139 S CB 3.760 66.807 63.200 -0.254 0.000 1.138 139 S HN -0.197 8.105 8.310 -0.015 0.000 0.478 140 G N -1.607 106.969 108.800 -0.373 0.000 2.336 140 G HA2 0.101 3.793 3.960 -0.446 0.000 0.300 140 G HA3 0.101 4.154 3.960 -0.078 -0.140 0.300 140 G C -2.335 172.325 174.900 -0.399 0.000 1.375 140 G CA 0.503 45.404 45.100 -0.332 0.000 0.885 140 G HN 0.260 8.265 8.290 -0.474 0.000 0.599 141 W N 1.257 122.512 121.300 -0.076 0.000 3.015 141 W HA 0.390 5.006 4.660 -0.072 0.000 0.429 141 W C -0.227 176.342 176.519 0.084 0.000 0.976 141 W CA -1.014 56.259 57.345 -0.120 0.000 2.086 141 W CB 0.034 29.212 29.460 -0.469 0.000 1.125 141 W HN 0.569 8.896 8.180 0.246 0.000 0.721 142 G N 0.784 109.763 108.800 0.299 0.000 2.588 142 G HA2 -0.010 4.321 3.960 0.589 0.000 0.281 142 G HA3 -0.010 4.286 3.960 0.301 -0.156 0.281 142 G C -1.001 174.043 174.900 0.240 0.000 1.236 142 G CA -0.881 44.446 45.100 0.379 0.000 0.969 142 G HN -0.458 8.091 8.290 0.178 -0.152 0.504 143 N N -0.368 118.394 118.700 0.104 0.000 2.356 143 N HA -0.300 4.279 4.740 -0.592 -0.194 0.252 143 N C 0.854 176.301 175.510 -0.105 0.000 1.241 143 N CA 1.135 54.018 53.050 -0.278 0.000 0.861 143 N CB 0.597 38.890 38.487 -0.323 0.000 1.075 143 N HN 0.140 8.684 8.380 0.273 0.000 0.461 144 T N 0.678 115.159 114.554 -0.122 0.000 3.054 144 T HA 0.190 4.645 4.350 -0.036 -0.127 0.255 144 T C 0.162 174.829 174.700 -0.056 0.000 1.035 144 T CA 0.363 62.428 62.100 -0.058 0.000 0.941 144 T CB 1.260 70.106 68.868 -0.037 0.000 1.026 144 T HN 0.300 8.430 8.240 -0.185 0.000 0.533 145 K N 2.551 122.902 120.400 -0.082 0.000 2.270 145 K HA 0.298 4.596 4.320 -0.037 0.000 0.255 145 K C -0.406 176.169 176.600 -0.041 0.000 0.936 145 K CA -1.105 55.149 56.287 -0.055 0.000 0.809 145 K CB 2.657 35.119 32.500 -0.064 0.000 1.131 145 K HN -0.627 7.779 8.250 -0.130 -0.234 0.427 146 S N 0.755 116.444 115.700 -0.018 0.000 2.446 146 S HA -0.090 4.382 4.470 0.004 0.000 0.225 146 S C -0.127 174.473 174.600 0.001 0.000 1.016 146 S CA 1.772 59.971 58.200 -0.001 0.000 0.943 146 S CB 0.861 64.066 63.200 0.009 0.000 0.786 146 S HN 0.132 8.432 8.310 -0.016 0.000 0.508 147 S N 1.712 117.408 115.700 -0.006 0.000 2.406 147 S HA 0.192 4.665 4.470 0.004 0.000 0.224 147 S C -0.854 173.739 174.600 -0.011 0.000 1.426 147 S CA -0.166 58.032 58.200 -0.002 0.000 1.179 147 S CB -0.354 62.846 63.200 0.001 0.000 1.042 147 S HN -0.486 7.791 8.310 -0.011 0.027 0.479 148 G N 1.591 110.382 108.800 -0.016 0.000 2.354 148 G HA2 -0.184 3.770 3.960 -0.011 0.000 0.582 148 G HA3 -0.184 3.762 3.960 -0.024 0.000 0.582 148 G C -2.775 172.088 174.900 -0.063 0.000 1.316 148 G CA -0.659 44.426 45.100 -0.025 0.000 0.995 148 G HN -0.363 7.920 8.290 -0.011 0.000 0.573 149 T N -3.872 110.635 114.554 -0.078 0.000 2.809 149 T HA 0.098 4.457 4.350 -0.306 -0.192 0.284 149 T C -1.464 173.107 174.700 -0.214 0.000 0.992 149 T CA -1.309 60.670 62.100 -0.201 0.000 0.957 149 T CB 2.020 70.841 68.868 -0.080 0.000 0.942 149 T HN -0.167 8.049 8.240 -0.042 0.000 0.439 150 S N 4.653 120.154 115.700 -0.332 0.000 2.779 150 S HA 0.251 4.683 4.470 -0.063 0.000 0.293 150 S C -2.123 172.327 174.600 -0.249 0.000 1.150 150 S CA -0.739 57.363 58.200 -0.163 0.000 1.057 150 S CB 1.255 64.403 63.200 -0.086 0.000 1.021 150 S HN 0.859 9.339 8.310 -0.460 -0.446 0.485 151 Y N 5.827 126.165 120.300 0.063 0.000 2.330 151 Y HA 0.211 4.816 4.550 0.092 0.000 0.336 151 Y C -0.879 175.070 175.900 0.081 0.000 1.036 151 Y CA -2.826 55.324 58.100 0.084 0.000 1.125 151 Y CB 1.197 39.715 38.460 0.098 0.000 1.194 151 Y HN 0.132 8.511 8.280 0.164 0.000 0.469 152 P HA 0.240 4.742 4.420 0.137 0.000 0.278 152 P C -1.561 175.871 177.300 0.219 0.000 1.266 152 P CA -1.009 62.201 63.100 0.183 0.000 0.807 152 P CB 1.761 33.544 31.700 0.137 0.000 1.094 153 D N -2.632 117.872 120.400 0.174 0.000 2.259 153 D HA -0.016 4.687 4.640 0.105 0.000 0.216 153 D C -0.688 175.763 176.300 0.251 0.000 0.961 153 D CA 1.680 55.769 54.000 0.148 0.000 0.878 153 D CB 0.844 41.699 40.800 0.092 0.000 1.009 153 D HN 0.406 8.860 8.370 0.140 0.000 0.490 154 V N -7.646 112.419 119.914 0.250 0.000 3.096 154 V HA 0.632 5.176 4.120 0.436 -0.162 0.319 154 V C -0.739 175.436 176.094 0.135 0.000 1.082 154 V CA -2.832 59.636 62.300 0.280 0.000 1.022 154 V CB 1.946 33.845 31.823 0.126 0.000 1.103 154 V HN -0.928 7.366 8.190 0.173 0.000 0.455 155 L N 1.151 122.320 121.223 -0.090 0.000 2.410 155 L HA -0.016 3.542 4.340 -1.303 0.000 0.273 155 L C -0.310 176.315 176.870 -0.409 0.000 1.152 155 L CA 0.667 55.105 54.840 -0.669 0.000 0.855 155 L CB 0.811 42.452 42.059 -0.696 0.000 1.129 155 L HN -0.184 8.288 8.230 0.092 -0.187 0.463 156 K N 5.411 125.540 120.400 -0.452 0.000 2.208 156 K HA 0.704 4.995 4.320 -0.320 -0.163 0.247 156 K C -1.204 175.144 176.600 -0.420 0.000 0.953 156 K CA -2.609 53.471 56.287 -0.346 0.000 0.837 156 K CB 2.539 34.902 32.500 -0.228 0.000 1.131 156 K HN -0.179 7.721 8.250 -0.584 0.000 0.431 157 c N -0.536 117.718 118.600 -0.577 0.000 2.707 157 c HA 0.980 5.496 4.570 -0.400 -0.186 0.313 157 c C -1.811 171.911 174.090 -0.613 0.000 1.209 157 c CA -0.785 55.149 56.329 -0.658 0.000 1.635 157 c CB 3.634 45.588 42.510 -0.927 0.000 2.206 157 c HN 0.809 8.531 8.230 -0.672 0.105 0.485 158 L N 0.249 121.318 121.223 -0.257 0.000 2.493 158 L HA 0.393 4.759 4.340 0.044 0.000 0.265 158 L C -2.446 174.483 176.870 0.098 0.000 0.954 158 L CA 0.012 54.843 54.840 -0.016 0.000 0.844 158 L CB 4.444 46.516 42.059 0.022 0.000 1.302 158 L HN 0.718 8.835 8.230 -0.189 0.000 0.405 159 K N 5.905 126.430 120.400 0.208 0.000 2.183 159 K HA 0.766 5.353 4.320 0.125 -0.192 0.274 159 K C -1.002 175.727 176.600 0.216 0.000 1.009 159 K CA -1.307 55.088 56.287 0.180 0.000 0.888 159 K CB 1.197 33.810 32.500 0.188 0.000 1.078 159 K HN 0.323 8.731 8.250 0.262 0.000 0.459 160 A N 4.102 126.986 122.820 0.107 0.000 2.549 160 A HA 0.660 4.982 4.320 0.003 0.000 0.297 160 A C -3.422 174.096 177.584 -0.110 0.000 1.061 160 A CA -2.621 49.413 52.037 -0.005 0.000 0.690 160 A CB 3.098 22.097 19.000 -0.001 0.000 1.287 160 A HN 0.902 9.084 8.150 0.054 0.000 0.402 161 P HA 0.814 5.395 4.420 -0.099 -0.220 0.285 161 P C -1.094 176.138 177.300 -0.113 0.000 1.269 161 P CA -1.586 61.426 63.100 -0.146 0.000 0.844 161 P CB 1.717 33.328 31.700 -0.148 0.000 1.094 162 I N -0.360 120.163 120.570 -0.078 0.000 2.474 162 I HA -0.008 4.326 4.170 0.089 -0.110 0.287 162 I C 0.056 176.164 176.117 -0.015 0.000 1.048 162 I CA 0.300 61.587 61.300 -0.022 0.000 1.383 162 I CB 0.435 38.341 38.000 -0.157 0.000 1.412 162 I HN -0.019 8.135 8.210 -0.093 0.000 0.531 163 L N 6.259 127.509 121.223 0.046 0.000 2.416 163 L HA 0.297 4.630 4.340 -0.010 0.000 0.262 163 L C -0.096 176.795 176.870 0.034 0.000 1.093 163 L CA -1.120 53.734 54.840 0.024 0.000 0.801 163 L CB 0.763 42.845 42.059 0.038 0.000 1.191 163 L HN 0.450 8.644 8.230 0.127 0.113 0.459 164 S N -1.602 114.110 115.700 0.020 0.000 2.600 164 S HA -0.099 4.378 4.470 0.012 0.000 0.265 164 S C 0.431 175.058 174.600 0.044 0.000 1.325 164 S CA -0.897 57.316 58.200 0.021 0.000 1.002 164 S CB 1.724 64.930 63.200 0.010 0.000 0.921 164 S HN -0.051 8.266 8.310 0.011 0.000 0.554 165 D N 1.209 121.635 120.400 0.043 0.000 2.144 165 D HA -0.246 4.443 4.640 0.082 0.000 0.199 165 D C 1.707 178.040 176.300 0.055 0.000 0.984 165 D CA 3.365 57.400 54.000 0.060 0.000 0.834 165 D CB -0.216 40.614 40.800 0.049 0.000 0.955 165 D HN 0.539 8.926 8.370 0.029 0.000 0.465 166 S N -1.256 114.468 115.700 0.039 0.000 2.368 166 S HA -0.305 4.187 4.470 0.037 0.000 0.224 166 S C 2.164 176.784 174.600 0.034 0.000 1.029 166 S CA 3.632 61.852 58.200 0.034 0.000 0.988 166 S CB -0.234 62.980 63.200 0.022 0.000 0.838 166 S HN 0.008 8.330 8.310 0.031 0.007 0.462 167 S N 3.481 119.200 115.700 0.031 0.000 2.383 167 S HA -0.233 4.245 4.470 0.014 0.000 0.227 167 S C 1.861 176.484 174.600 0.039 0.000 1.026 167 S CA 3.717 61.932 58.200 0.024 0.000 0.981 167 S CB -0.155 63.056 63.200 0.018 0.000 0.818 167 S HN -0.594 7.734 8.310 0.030 0.000 0.472 168 c N 3.291 121.933 118.600 0.070 0.000 2.432 168 c HA -0.305 4.344 4.570 0.131 0.000 0.277 168 c C 1.718 175.895 174.090 0.145 0.000 1.249 168 c CA 2.707 59.108 56.329 0.120 0.000 1.725 168 c CB -1.722 40.865 42.510 0.129 0.000 2.028 168 c HN -0.190 8.071 8.230 0.067 0.008 0.477 169 K N -1.077 119.390 120.400 0.112 0.000 2.148 169 K HA -0.338 4.076 4.320 0.157 0.000 0.204 169 K C 2.218 178.865 176.600 0.079 0.000 1.050 169 K CA 3.141 59.495 56.287 0.112 0.000 0.942 169 K CB -0.075 32.475 32.500 0.083 0.000 0.724 169 K HN 0.111 8.416 8.250 0.092 0.000 0.446 170 S N -1.078 114.648 115.700 0.044 0.000 2.428 170 S HA -0.212 4.269 4.470 0.020 0.000 0.230 170 S C 0.718 175.301 174.600 -0.030 0.000 1.014 170 S CA 2.876 61.083 58.200 0.012 0.000 0.957 170 S CB -0.040 63.161 63.200 0.002 0.000 0.784 170 S HN -0.106 8.027 8.310 0.044 0.203 0.499 171 A N -0.523 122.258 122.820 -0.065 0.000 1.930 171 A HA -0.029 4.152 4.320 -0.231 0.000 0.215 171 A C -0.518 176.817 177.584 -0.415 0.000 1.176 171 A CA 1.795 53.670 52.037 -0.269 0.000 0.632 171 A CB 0.778 19.564 19.000 -0.357 0.000 0.819 171 A HN -0.626 7.381 8.150 -0.011 0.136 0.445 172 Y N -5.368 114.970 120.300 0.064 0.000 2.553 172 Y HA 0.468 5.089 4.550 0.119 0.000 0.369 172 Y C -2.442 173.518 175.900 0.101 0.000 0.964 172 Y CA -3.443 54.727 58.100 0.116 0.000 1.156 172 Y CB -0.379 38.198 38.460 0.195 0.000 1.218 172 Y HN -0.525 7.820 8.280 0.109 0.000 0.630 173 P HA -0.164 4.434 4.420 0.109 -0.112 0.262 173 P C 0.904 178.275 177.300 0.118 0.000 1.182 173 P CA 1.283 64.450 63.100 0.113 0.000 0.761 173 P CB 0.032 31.770 31.700 0.063 0.000 0.795 174 G N 3.709 112.568 108.800 0.099 0.000 2.175 174 G HA2 -0.373 3.623 3.960 0.060 0.000 0.265 174 G HA3 -0.373 3.621 3.960 0.056 0.000 0.265 174 G C 0.051 174.999 174.900 0.080 0.000 0.979 174 G CA 0.728 45.872 45.100 0.073 0.000 0.663 174 G HN 0.528 8.874 8.290 0.094 0.000 0.533 175 Q N -2.757 117.126 119.800 0.138 0.000 2.164 175 Q HA 0.099 4.462 4.340 0.039 0.000 0.226 175 Q C -0.807 175.310 176.000 0.194 0.000 0.813 175 Q CA -0.548 55.331 55.803 0.126 0.000 0.978 175 Q CB 1.601 30.434 28.738 0.159 0.000 1.149 175 Q HN -0.304 8.021 8.270 0.185 0.056 0.489 176 I N 0.193 120.876 120.570 0.189 0.000 2.336 176 I HA 0.086 4.391 4.170 0.225 0.000 0.292 176 I C -0.192 175.997 176.117 0.120 0.000 0.991 176 I CA -2.269 59.139 61.300 0.179 0.000 1.227 176 I CB -0.434 37.666 38.000 0.167 0.000 1.366 176 I HN -0.384 7.928 8.210 0.169 0.000 0.466 177 T N 2.354 116.976 114.554 0.112 0.000 2.910 177 T HA 0.358 4.745 4.350 0.062 0.000 0.279 177 T C 0.765 175.512 174.700 0.078 0.000 0.989 177 T CA -2.133 60.013 62.100 0.076 0.000 0.968 177 T CB 2.429 71.334 68.868 0.061 0.000 1.135 177 T HN -0.372 7.950 8.240 0.137 0.000 0.562 178 S N -1.913 113.819 115.700 0.053 0.000 2.547 178 S HA -0.174 4.332 4.470 0.060 0.000 0.235 178 S C 0.201 174.839 174.600 0.062 0.000 0.980 178 S CA 1.932 60.160 58.200 0.048 0.000 0.941 178 S CB -0.215 62.994 63.200 0.016 0.000 0.763 178 S HN 0.256 8.589 8.310 0.037 0.000 0.532 179 N N -0.333 118.416 118.700 0.081 0.000 2.276 179 N HA 0.171 4.974 4.740 0.105 0.000 0.212 179 N C -1.740 173.886 175.510 0.192 0.000 1.127 179 N CA -0.061 53.068 53.050 0.132 0.000 0.834 179 N CB 0.684 39.269 38.487 0.164 0.000 1.014 179 N HN -0.650 7.702 8.380 0.076 0.074 0.491 180 M N -1.216 118.485 119.600 0.168 0.000 2.593 180 M HA 0.898 5.674 4.480 0.106 -0.232 0.290 180 M C -2.322 174.096 176.300 0.197 0.000 1.244 180 M CA -0.431 54.949 55.300 0.133 0.000 0.857 180 M CB 5.171 37.823 32.600 0.087 0.000 1.738 180 M HN -0.675 7.611 8.290 0.146 0.092 0.461 181 F N -5.642 114.348 119.950 0.067 0.000 2.645 181 F HA 0.619 5.174 4.527 0.047 0.000 0.310 181 F C -2.798 173.049 175.800 0.079 0.000 1.102 181 F CA -1.759 56.279 58.000 0.063 0.000 0.952 181 F CB 2.467 41.503 39.000 0.059 0.000 1.326 181 F HN 0.249 8.425 8.300 -0.206 0.000 0.456 182 c N -0.083 118.673 118.600 0.260 0.000 2.391 182 c HA 1.012 5.815 4.570 0.046 -0.205 0.339 182 c C -1.063 173.208 174.090 0.301 0.000 1.205 182 c CA -0.971 55.458 56.329 0.165 0.000 1.937 182 c CB 2.841 45.424 42.510 0.122 0.000 2.341 182 c HN 0.860 9.287 8.230 0.328 0.000 0.516 183 A N 3.036 126.012 122.820 0.260 0.000 2.476 183 A HA 0.686 5.211 4.320 0.086 -0.153 0.280 183 A C -2.227 175.402 177.584 0.075 0.000 1.081 183 A CA -0.422 51.695 52.037 0.133 0.000 0.753 183 A CB 2.659 21.658 19.000 -0.001 0.000 1.248 183 A HN 0.451 8.777 8.150 0.293 0.000 0.424 184 Y N 2.980 123.312 120.300 0.054 0.000 2.404 184 Y HA 0.044 4.614 4.550 0.034 0.000 0.344 184 Y C 1.012 176.929 175.900 0.029 0.000 0.995 184 Y CA -0.133 57.989 58.100 0.037 0.000 1.201 184 Y CB 0.348 38.828 38.460 0.033 0.000 1.151 184 Y HN 0.331 8.758 8.280 0.245 0.000 0.517 185 L N 4.153 125.449 121.223 0.122 0.000 2.275 185 L HA -0.319 4.053 4.340 0.054 0.000 0.215 185 L C 1.071 177.985 176.870 0.073 0.000 1.119 185 L CA 2.233 57.115 54.840 0.070 0.000 0.790 185 L CB -0.421 41.659 42.059 0.035 0.000 0.919 185 L HN 0.530 8.814 8.230 0.091 0.000 0.443 186 E N -2.334 117.928 120.200 0.103 0.000 2.427 186 E HA -0.117 4.261 4.350 0.047 0.000 0.196 186 E C 0.768 177.403 176.600 0.058 0.000 1.028 186 E CA 0.191 56.632 56.400 0.068 0.000 0.864 186 E CB -0.482 29.256 29.700 0.064 0.000 0.813 186 E HN 0.095 8.503 8.360 0.151 0.042 0.514 187 G N 0.769 109.620 108.800 0.085 0.000 3.405 187 G HA2 -0.374 3.674 3.960 0.079 0.000 0.676 187 G HA3 -0.374 3.611 3.960 0.041 0.000 0.676 187 G C -0.858 174.063 174.900 0.034 0.000 1.039 187 G CA -0.215 44.923 45.100 0.062 0.000 0.855 187 G HN -0.511 7.681 8.290 0.130 0.176 0.443 188 K N 1.368 121.760 120.400 -0.014 0.000 7.012 188 K HA -0.601 3.979 4.320 -0.003 -0.261 0.677 188 K C -1.303 175.387 176.600 0.150 0.000 2.516 188 K CA 0.517 56.810 56.287 0.009 0.000 1.841 188 K CB -0.076 32.318 32.500 -0.176 0.000 1.900 188 K HN 0.180 8.448 8.250 0.030 0.000 0.293 189 D N 0.449 120.923 120.400 0.123 0.000 2.764 189 D HA 0.313 5.073 4.640 0.200 0.000 0.293 189 D C -1.924 174.445 176.300 0.115 0.000 1.287 189 D CA -0.635 53.453 54.000 0.147 0.000 0.768 189 D CB 4.423 45.292 40.800 0.116 0.000 1.288 189 D HN 0.216 8.634 8.370 0.079 0.000 0.426 190 S N -1.658 114.123 115.700 0.136 0.000 2.707 190 S HA 0.401 4.990 4.470 0.094 -0.063 0.276 190 S C -1.368 173.284 174.600 0.086 0.000 1.179 190 S CA -0.656 57.615 58.200 0.119 0.000 0.992 190 S CB 1.838 65.150 63.200 0.188 0.000 1.030 190 S HN 0.281 8.688 8.310 0.161 0.000 0.554 191 c N -1.466 117.190 118.600 0.093 0.000 3.293 191 c HA 0.296 4.914 4.570 0.080 0.000 0.362 191 c C -1.544 172.632 174.090 0.143 0.000 1.539 191 c CA -0.709 55.676 56.329 0.093 0.000 1.201 191 c CB 2.961 45.509 42.510 0.063 0.000 1.770 191 c HN 0.367 8.974 8.230 0.109 -0.311 0.440 192 Q N 2.056 121.953 119.800 0.161 0.000 2.286 192 Q HA -0.243 4.228 4.340 0.218 0.000 0.290 192 Q C 0.527 176.729 176.000 0.337 0.000 1.049 192 Q CA 1.982 57.925 55.803 0.233 0.000 0.923 192 Q CB 0.268 29.142 28.738 0.228 0.000 1.183 192 Q HN 0.572 8.918 8.270 0.127 0.000 0.383 193 G N 6.632 115.626 108.800 0.324 0.000 2.259 193 G HA2 -0.395 3.753 3.960 0.313 0.000 0.217 193 G HA3 -0.395 3.875 3.960 0.517 0.000 0.217 193 G C 0.479 175.608 174.900 0.382 0.000 1.001 193 G CA 0.991 46.327 45.100 0.393 0.000 0.627 193 G HN 0.762 9.215 8.290 0.272 0.000 0.501 194 D N 1.439 122.003 120.400 0.273 0.000 2.346 194 D HA 0.103 4.888 4.640 0.241 0.000 0.206 194 D C 0.180 176.583 176.300 0.171 0.000 1.001 194 D CA 0.913 55.040 54.000 0.212 0.000 0.871 194 D CB 0.725 41.617 40.800 0.153 0.000 0.943 194 D HN 0.116 8.540 8.370 0.250 0.097 0.518 195 S N -0.479 115.322 115.700 0.168 0.000 2.599 195 S HA -0.581 4.112 4.470 0.133 -0.143 0.303 195 S C 0.945 175.566 174.600 0.035 0.000 1.267 195 S CA 2.691 60.968 58.200 0.128 0.000 1.055 195 S CB 0.138 63.462 63.200 0.205 0.000 0.790 195 S HN -0.427 8.001 8.310 0.198 0.000 0.500 196 G N 4.393 113.194 108.800 0.002 0.000 2.241 196 G HA2 -0.445 3.567 3.960 -0.043 0.000 0.244 196 G HA3 -0.445 3.590 3.960 -0.055 -0.108 0.244 196 G C -0.220 174.711 174.900 0.052 0.000 0.998 196 G CA 0.130 45.219 45.100 -0.018 0.000 0.621 196 G HN 0.726 9.032 8.290 0.027 0.000 0.519 197 G N 0.912 109.767 108.800 0.092 0.000 2.588 197 G HA2 0.396 4.496 3.960 0.116 0.000 0.281 197 G HA3 0.396 4.425 3.960 0.116 0.000 0.281 197 G C -2.660 172.319 174.900 0.132 0.000 1.236 197 G CA -2.021 43.148 45.100 0.116 0.000 0.969 197 G HN -0.300 7.957 8.290 0.099 0.093 0.504 198 P HA 0.343 4.969 4.420 0.128 -0.129 0.282 198 P C -1.622 175.741 177.300 0.106 0.000 1.249 198 P CA -0.864 62.325 63.100 0.148 0.000 0.806 198 P CB 1.675 33.525 31.700 0.249 0.000 0.984 199 V N 2.438 122.395 119.914 0.071 0.000 2.419 199 V HA 0.314 4.597 4.120 -0.015 -0.172 0.287 199 V C -1.268 174.836 176.094 0.017 0.000 1.017 199 V CA -0.487 61.818 62.300 0.010 0.000 0.844 199 V CB 1.755 33.565 31.823 -0.022 0.000 1.011 199 V HN -0.242 7.997 8.190 0.081 0.000 0.429 200 V N 7.955 127.872 119.914 0.005 0.000 2.417 200 V HA 0.585 4.851 4.120 -0.067 -0.186 0.291 200 V C -1.343 174.733 176.094 -0.030 0.000 1.024 200 V CA -1.203 61.073 62.300 -0.040 0.000 0.861 200 V CB 2.852 34.635 31.823 -0.067 0.000 0.985 200 V HN 0.526 8.732 8.190 0.028 0.000 0.436 201 c N 7.588 126.157 118.600 -0.051 0.000 2.431 201 c HA 0.567 5.117 4.570 -0.033 0.000 0.321 201 c C 0.155 174.216 174.090 -0.048 0.000 1.202 201 c CA -1.273 55.026 56.329 -0.050 0.000 1.398 201 c CB 1.757 44.219 42.510 -0.079 0.000 2.047 201 c HN 0.810 9.002 8.230 -0.063 0.000 0.465 202 S N 5.492 121.173 115.700 -0.032 0.000 3.614 202 S HA -0.340 4.120 4.470 -0.016 0.000 0.360 202 S C 0.323 174.904 174.600 -0.032 0.000 1.023 202 S CA 0.977 59.161 58.200 -0.027 0.000 1.114 202 S CB -1.230 61.950 63.200 -0.033 0.000 0.907 202 S HN 1.126 9.423 8.310 -0.022 0.000 0.470 203 G N -5.439 103.340 108.800 -0.035 0.000 2.155 203 G HA2 -0.365 3.562 3.960 -0.056 0.000 0.257 203 G HA3 -0.365 3.574 3.960 -0.035 0.000 0.257 203 G C -0.796 174.053 174.900 -0.085 0.000 0.983 203 G CA 0.467 45.536 45.100 -0.052 0.000 0.676 203 G HN 0.321 8.587 8.290 -0.026 0.009 0.528 210 Q N 1.165 120.978 119.800 0.022 0.000 2.391 210 Q HA 0.176 4.540 4.340 0.040 0.000 0.211 210 Q C -0.188 175.956 176.000 0.240 0.000 0.908 210 Q CA 0.232 56.064 55.803 0.047 0.000 0.920 210 Q CB 2.461 31.145 28.738 -0.090 0.000 1.056 210 Q HN 0.313 8.586 8.270 0.005 0.000 0.523 211 G N -3.263 105.702 108.800 0.276 0.000 2.695 211 G HA2 0.620 5.073 3.960 0.421 0.000 0.290 211 G HA3 0.620 4.870 3.960 0.483 0.000 0.290 211 G C -3.261 171.763 174.900 0.206 0.000 1.410 211 G CA -0.590 44.730 45.100 0.367 0.000 0.844 211 G HN -0.375 8.015 8.290 0.167 0.000 0.478 212 I N -1.506 119.182 120.570 0.196 0.000 2.533 212 I HA 0.606 5.099 4.170 0.155 -0.231 0.290 212 I C -0.436 175.809 176.117 0.214 0.000 1.056 212 I CA -1.470 59.926 61.300 0.159 0.000 1.057 212 I CB 4.447 42.499 38.000 0.087 0.000 1.240 212 I HN -0.363 7.961 8.210 0.190 0.000 0.423 213 V N 7.040 127.095 119.914 0.235 0.000 2.493 213 V HA -0.222 3.983 4.120 0.143 0.000 0.292 213 V C -1.078 175.027 176.094 0.019 0.000 1.016 213 V CA 2.162 64.557 62.300 0.159 0.000 1.097 213 V CB -1.100 30.835 31.823 0.185 0.000 0.947 213 V HN 0.391 8.701 8.190 0.199 0.000 0.479 214 S N 7.712 123.320 115.700 -0.154 0.000 3.142 214 S HA 0.308 4.940 4.470 0.270 0.000 0.223 214 S C -0.795 173.917 174.600 0.187 0.000 0.939 214 S CA 1.079 59.338 58.200 0.099 0.000 0.826 214 S CB 2.364 65.620 63.200 0.093 0.000 0.823 214 S HN -0.006 7.989 8.310 -0.524 0.000 0.612 215 W N -4.420 116.736 121.300 -0.240 0.000 2.940 215 W HA 0.271 4.845 4.660 -0.143 0.000 0.394 215 W C -2.857 173.504 176.519 -0.264 0.000 1.155 215 W CA -0.828 56.388 57.345 -0.214 0.000 1.165 215 W CB 0.664 29.994 29.460 -0.217 0.000 1.492 215 W HN -0.479 7.359 8.180 -0.572 0.000 0.593 216 G N -3.161 105.704 108.800 0.109 0.000 2.368 216 G HA2 0.126 3.827 3.960 -0.431 0.000 0.293 216 G HA3 0.126 4.022 3.960 -0.107 0.000 0.293 216 G C -2.322 172.723 174.900 0.241 0.000 1.467 216 G CA 0.251 45.313 45.100 -0.062 0.000 0.804 216 G HN -0.037 8.502 8.290 0.416 0.000 0.535 220 c N 2.060 120.697 118.600 0.061 0.000 3.370 220 c HA 0.340 5.109 4.570 0.062 -0.162 0.190 220 c C -1.571 172.549 174.090 0.050 0.000 1.647 220 c CA -0.743 55.619 56.329 0.056 0.000 1.277 220 c CB -1.127 41.410 42.510 0.045 0.000 2.037 220 c HN 0.326 8.588 8.230 0.053 0.000 0.537 221 Q N -1.632 118.199 119.800 0.053 0.000 2.939 221 Q HA 0.150 4.510 4.340 0.032 0.000 0.274 221 Q C -1.420 174.601 176.000 0.035 0.000 0.941 221 Q CA -0.632 55.195 55.803 0.039 0.000 0.824 221 Q CB 2.519 31.280 28.738 0.039 0.000 1.779 221 Q HN 0.163 8.470 8.270 0.062 0.000 0.470 222 K N 3.264 123.678 120.400 0.023 0.000 2.448 222 K HA -0.234 4.234 4.320 0.031 -0.129 0.278 222 K C 0.260 176.858 176.600 -0.004 0.000 1.009 222 K CA 0.617 56.914 56.287 0.017 0.000 0.995 222 K CB 0.016 32.523 32.500 0.011 0.000 0.917 222 K HN 0.228 8.490 8.250 0.020 0.000 0.481 223 N N 2.373 121.067 118.700 -0.009 0.000 2.713 223 N HA -0.475 4.241 4.740 -0.040 0.000 0.251 223 N C -1.626 173.812 175.510 -0.121 0.000 1.117 223 N CA 1.806 54.825 53.050 -0.053 0.000 0.770 223 N CB -0.450 38.000 38.487 -0.062 0.000 1.137 223 N HN 0.743 9.009 8.380 0.012 0.122 0.566 224 K N -2.419 117.939 120.400 -0.070 0.000 2.762 224 K HA 0.539 4.657 4.320 -0.336 0.000 0.180 224 K C -2.327 174.318 176.600 0.074 0.000 1.067 224 K CA -3.537 52.700 56.287 -0.083 0.000 0.973 224 K CB -0.252 32.250 32.500 0.004 0.000 1.290 224 K HN -0.778 7.406 8.250 -0.012 0.058 0.604 225 P HA -0.056 4.425 4.420 0.103 0.000 0.273 225 P C -0.519 176.825 177.300 0.074 0.000 1.250 225 P CA -0.395 62.772 63.100 0.111 0.000 0.793 225 P CB 1.122 32.879 31.700 0.094 0.000 1.011 226 G N -2.352 106.459 108.800 0.019 0.000 2.476 226 G HA2 0.321 4.070 3.960 -0.352 0.000 0.269 226 G HA3 0.321 4.159 3.960 -0.203 0.000 0.269 226 G C -1.824 172.748 174.900 -0.547 0.000 1.195 226 G CA -0.728 44.208 45.100 -0.273 0.000 0.843 226 G HN -0.379 7.981 8.290 0.118 0.000 0.545 227 V N 1.776 121.017 119.914 -1.122 0.000 2.555 227 V HA 0.686 4.557 4.120 -0.703 -0.174 0.302 227 V C -0.949 174.346 176.094 -1.331 0.000 1.038 227 V CA -1.031 60.574 62.300 -1.157 0.000 0.887 227 V CB 2.402 33.139 31.823 -1.810 0.000 0.991 227 V HN 0.335 7.809 8.190 -1.193 0.000 0.434 228 Y N 4.639 124.509 120.300 -0.717 0.000 2.536 228 Y HA 0.549 4.993 4.550 -0.399 -0.133 0.347 228 Y C 0.227 175.847 175.900 -0.468 0.000 1.000 228 Y CA -2.175 55.520 58.100 -0.675 0.000 1.051 228 Y CB 3.906 41.673 38.460 -1.154 0.000 1.259 228 Y HN 1.065 8.946 8.280 -0.665 0.000 0.468 229 T N 4.812 119.338 114.554 -0.047 0.000 2.851 229 T HA 0.050 4.626 4.350 0.113 -0.158 0.298 229 T C -0.721 174.129 174.700 0.249 0.000 0.977 229 T CA 1.385 63.542 62.100 0.096 0.000 1.126 229 T CB 0.534 69.438 68.868 0.060 0.000 0.916 229 T HN 0.492 8.732 8.240 -0.001 0.000 0.529 230 K N 8.243 128.867 120.400 0.373 0.000 2.171 230 K HA 0.076 4.810 4.320 0.690 0.000 0.274 230 K C 1.039 177.884 176.600 0.409 0.000 1.110 230 K CA -0.430 56.145 56.287 0.479 0.000 0.952 230 K CB -0.319 32.405 32.500 0.372 0.000 1.309 230 K HN 0.166 8.508 8.250 0.326 0.104 0.414 231 V N 6.435 126.568 119.914 0.366 0.000 2.392 231 V HA -0.516 3.888 4.120 0.472 0.000 0.249 231 V C 1.343 177.594 176.094 0.262 0.000 1.059 231 V CA 3.932 66.434 62.300 0.338 0.000 1.051 231 V CB -0.217 31.737 31.823 0.218 0.000 0.658 231 V HN 0.290 8.707 8.190 0.378 0.000 0.455 232 c N -3.807 114.884 118.600 0.150 0.000 2.401 232 c HA -0.208 4.405 4.570 0.071 0.000 0.286 232 c C 1.488 175.598 174.090 0.032 0.000 1.332 232 c CA 1.556 57.927 56.329 0.071 0.000 1.795 232 c CB -2.095 40.425 42.510 0.017 0.000 1.922 232 c HN 0.478 8.793 8.230 0.142 0.000 0.520 233 N N 0.710 119.404 118.700 -0.010 0.000 2.463 233 N HA -0.063 4.580 4.740 -0.162 0.000 0.181 233 N C 0.302 175.575 175.510 -0.395 0.000 1.078 233 N CA 1.161 54.062 53.050 -0.248 0.000 0.902 233 N CB 0.003 38.200 38.487 -0.484 0.000 0.970 233 N HN -0.422 7.948 8.380 0.077 0.056 0.451 234 Y N -4.130 116.236 120.300 0.109 0.000 2.557 234 Y HA 0.162 4.843 4.550 0.218 0.000 0.247 234 Y C 0.317 176.355 175.900 0.230 0.000 1.164 234 Y CA -0.348 57.873 58.100 0.201 0.000 1.218 234 Y CB 0.072 38.664 38.460 0.221 0.000 1.210 234 Y HN -0.080 8.144 8.280 0.214 0.185 0.529 235 V N 1.471 121.526 119.914 0.236 0.000 2.287 235 V HA -0.596 3.622 4.120 0.163 0.000 0.248 235 V C 1.366 177.534 176.094 0.124 0.000 1.053 235 V CA 5.082 67.475 62.300 0.155 0.000 1.027 235 V CB -0.838 31.035 31.823 0.084 0.000 0.646 235 V HN -0.410 7.880 8.190 0.168 0.000 0.447 236 S N -0.299 115.474 115.700 0.121 0.000 2.382 236 S HA -0.332 4.159 4.470 0.035 0.000 0.228 236 S C 1.782 176.451 174.600 0.115 0.000 1.027 236 S CA 3.105 61.356 58.200 0.084 0.000 0.991 236 S CB -0.441 62.806 63.200 0.077 0.000 0.823 236 S HN 0.126 8.505 8.310 0.116 0.000 0.469 237 W N 4.024 125.360 121.300 0.061 0.000 2.355 237 W HA -0.164 4.521 4.660 0.040 0.000 0.309 237 W C 1.566 178.099 176.519 0.024 0.000 1.206 237 W CA 3.034 60.425 57.345 0.077 0.000 1.284 237 W CB -0.001 29.590 29.460 0.218 0.000 1.145 237 W HN -0.403 7.993 8.180 0.376 0.009 0.502 238 I N -0.737 119.861 120.570 0.047 0.000 2.179 238 I HA -0.755 3.045 4.170 -0.618 0.000 0.242 238 I C 1.881 177.771 176.117 -0.379 0.000 1.088 238 I CA 4.542 65.682 61.300 -0.267 0.000 1.357 238 I CB -0.243 37.756 38.000 -0.002 0.000 1.051 238 I HN 0.400 8.816 8.210 0.344 0.000 0.409 239 K N -0.716 119.558 120.400 -0.209 0.000 2.032 239 K HA -0.432 3.745 4.320 -0.239 0.000 0.209 239 K C 2.765 179.214 176.600 -0.252 0.000 1.048 239 K CA 3.862 60.024 56.287 -0.207 0.000 0.927 239 K CB -0.336 32.101 32.500 -0.104 0.000 0.712 239 K HN -0.083 8.111 8.250 -0.093 0.000 0.441 240 Q N -2.333 117.327 119.800 -0.232 0.000 2.119 240 Q HA -0.272 3.969 4.340 -0.164 0.000 0.201 240 Q C 2.673 178.479 176.000 -0.324 0.000 0.972 240 Q CA 3.310 58.981 55.803 -0.219 0.000 0.847 240 Q CB 0.046 28.697 28.738 -0.145 0.000 0.903 240 Q HN 0.229 8.386 8.270 -0.188 0.000 0.433 241 T N 2.549 116.783 114.554 -0.534 0.000 2.777 241 T HA -0.254 3.839 4.350 -0.429 0.000 0.266 241 T C 2.264 176.634 174.700 -0.549 0.000 1.040 241 T CA 4.928 66.666 62.100 -0.603 0.000 1.141 241 T CB -0.144 68.093 68.868 -1.052 0.000 0.868 241 T HN -0.114 7.743 8.240 -0.637 0.000 0.444 242 I N 1.014 121.163 120.570 -0.702 0.000 2.252 242 I HA -0.410 3.037 4.170 -1.206 0.000 0.245 242 I C 1.700 177.600 176.117 -0.362 0.000 1.102 242 I CA 3.628 64.415 61.300 -0.854 0.000 1.385 242 I CB -0.382 37.022 38.000 -0.993 0.000 1.064 242 I HN 0.028 7.828 8.210 -0.683 0.000 0.414 243 A N -0.452 122.204 122.820 -0.274 0.000 2.019 243 A HA -0.195 4.064 4.320 -0.101 0.000 0.219 243 A C 1.197 178.729 177.584 -0.087 0.000 1.164 243 A CA 2.734 54.688 52.037 -0.138 0.000 0.644 243 A CB -0.467 18.460 19.000 -0.121 0.000 0.805 243 A HN 0.025 7.982 8.150 -0.321 0.000 0.449 244 S N -4.535 111.100 115.700 -0.108 0.000 2.572 244 S HA 0.122 4.575 4.470 -0.028 0.000 0.228 244 S C -0.873 173.729 174.600 0.003 0.000 0.963 244 S CA 0.547 58.717 58.200 -0.050 0.000 0.939 244 S CB 0.951 64.112 63.200 -0.065 0.000 0.804 244 S HN -0.390 7.683 8.310 -0.177 0.131 0.480 245 N N 0.000 118.730 118.700 0.050 0.000 1.763 245 N HA 0.000 4.814 4.740 0.123 0.000 0.220 245 N CA 0.000 53.160 53.050 0.183 0.000 0.885 245 N CB 0.000 38.672 38.487 0.308 0.000 1.341 245 N HN 0.000 8.218 8.380 0.012 0.169 0.667