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 1o3c_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 4.179 4.170 0.015 0.000 0.288 16 I C 0.000 176.105 176.117 -0.021 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.073 0.000 1.214 17 V N 5.179 125.093 119.914 0.000 0.000 2.435 17 V HA 0.251 4.488 4.120 -0.018 -0.129 0.290 17 V C 0.470 176.565 176.094 0.001 0.000 1.030 17 V CA -1.631 60.666 62.300 -0.004 0.000 0.881 17 V CB 1.532 33.359 31.823 0.006 0.000 0.983 17 V HN 0.868 9.071 8.190 0.022 0.000 0.445 18 G N 6.743 115.539 108.800 -0.008 0.000 2.179 18 G HA2 -0.394 3.560 3.960 -0.009 0.000 0.257 18 G HA3 -0.394 3.717 3.960 -0.025 -0.166 0.257 18 G C -0.667 174.240 174.900 0.012 0.000 1.010 18 G CA 0.539 45.634 45.100 -0.009 0.000 0.736 18 G HN 0.774 9.057 8.290 -0.011 0.000 0.513 19 G N -1.134 107.669 108.800 0.005 0.000 2.702 19 G HA2 0.507 4.491 3.960 0.079 0.000 0.254 19 G HA3 0.507 4.506 3.960 -0.105 -0.102 0.254 19 G C -1.721 173.217 174.900 0.063 0.000 1.380 19 G CA -1.057 44.042 45.100 -0.000 0.000 1.042 19 G HN -0.670 7.578 8.290 -0.015 0.032 0.557 20 Y N -6.222 114.059 120.300 -0.032 0.000 2.638 20 Y HA 0.389 4.923 4.550 -0.028 0.000 0.339 20 Y C -1.814 174.061 175.900 -0.042 0.000 1.084 20 Y CA -2.830 55.251 58.100 -0.031 0.000 1.068 20 Y CB 1.115 39.559 38.460 -0.026 0.000 1.294 20 Y HN 0.338 8.137 8.280 -0.628 0.103 0.480 21 T N 2.603 117.218 114.554 0.102 0.000 2.799 21 T HA 0.064 4.492 4.350 -0.093 -0.134 0.296 21 T C -0.069 174.656 174.700 0.041 0.000 0.947 21 T CA 1.370 63.474 62.100 0.007 0.000 1.141 21 T CB -0.233 68.665 68.868 0.050 0.000 0.891 21 T HN 0.113 8.468 8.240 0.191 0.000 0.533 22 c N 5.664 124.193 118.600 -0.119 0.000 2.413 22 c HA -0.165 4.405 4.570 0.000 0.000 0.276 22 c C 0.354 174.465 174.090 0.035 0.000 1.248 22 c CA 0.935 57.227 56.329 -0.062 0.000 1.742 22 c CB -0.104 42.301 42.510 -0.175 0.000 2.017 22 c HN 0.191 8.300 8.230 -0.201 0.000 0.481 23 G N -2.144 106.662 108.800 0.010 0.000 2.742 23 G HA2 -0.160 3.818 3.960 0.031 0.000 0.686 23 G HA3 -0.160 3.821 3.960 0.035 0.000 0.686 23 G C -2.016 172.887 174.900 0.006 0.000 1.220 23 G CA -0.829 44.286 45.100 0.025 0.000 0.783 23 G HN -0.369 7.911 8.290 -0.016 0.000 0.646 24 A N 3.500 126.330 122.820 0.017 0.000 2.548 24 A HA -0.201 4.357 4.320 0.028 -0.222 0.247 24 A C -0.145 177.444 177.584 0.010 0.000 1.067 24 A CA 0.986 53.035 52.037 0.021 0.000 0.757 24 A CB 0.093 19.111 19.000 0.030 0.000 0.996 24 A HN 0.309 8.473 8.150 0.023 0.000 0.504 25 N N -2.577 116.126 118.700 0.005 0.000 2.725 25 N HA -0.387 4.344 4.740 -0.015 0.000 0.249 25 N C 0.299 175.791 175.510 -0.031 0.000 1.103 25 N CA 1.562 54.606 53.050 -0.010 0.000 0.707 25 N CB -1.095 37.397 38.487 0.009 0.000 1.043 25 N HN 0.543 8.934 8.380 0.017 0.000 0.553 26 T N -3.890 110.637 114.554 -0.045 0.000 3.100 26 T HA 0.021 4.362 4.350 -0.015 0.000 0.253 26 T C -0.104 174.542 174.700 -0.091 0.000 1.118 26 T CA 1.931 64.008 62.100 -0.038 0.000 1.058 26 T CB 0.485 69.346 68.868 -0.012 0.000 0.953 26 T HN -0.557 7.627 8.240 -0.049 0.027 0.515 27 V N 2.260 122.059 119.914 -0.191 0.000 2.320 27 V HA 0.371 4.231 4.120 -0.434 0.000 0.257 27 V C -1.494 174.295 176.094 -0.508 0.000 0.996 27 V CA -3.436 58.592 62.300 -0.453 0.000 0.928 27 V CB 0.584 32.117 31.823 -0.483 0.000 1.169 27 V HN -0.545 7.478 8.190 -0.161 0.070 0.475 28 P HA 0.036 4.505 4.420 -0.081 -0.098 0.230 28 P C 0.052 177.314 177.300 -0.062 0.000 1.158 28 P CA 1.620 64.654 63.100 -0.109 0.000 0.769 28 P CB 0.079 31.786 31.700 0.012 0.000 0.807 29 Y N -6.148 114.176 120.300 0.039 0.000 2.457 29 Y HA 0.500 5.219 4.550 0.054 -0.137 0.263 29 Y C -0.566 175.368 175.900 0.057 0.000 1.164 29 Y CA -3.194 54.935 58.100 0.048 0.000 1.274 29 Y CB -1.196 37.288 38.460 0.040 0.000 1.097 29 Y HN -0.420 7.276 8.280 -0.874 0.060 0.523 30 Q N 2.615 122.292 119.800 -0.205 0.000 2.332 30 Q HA 0.199 4.730 4.340 0.083 -0.141 0.263 30 Q C -0.308 175.768 176.000 0.127 0.000 0.979 30 Q CA 0.250 56.034 55.803 -0.031 0.000 0.885 30 Q CB 1.232 29.848 28.738 -0.204 0.000 1.218 30 Q HN -0.649 7.270 8.270 -0.494 0.054 0.405 31 V N 0.998 121.023 119.914 0.186 0.000 3.074 31 V HA 0.847 5.196 4.120 0.181 -0.121 0.314 31 V C -2.049 174.188 176.094 0.238 0.000 1.117 31 V CA -2.938 59.468 62.300 0.176 0.000 1.014 31 V CB 3.955 35.834 31.823 0.093 0.000 1.057 31 V HN 0.059 8.356 8.190 0.178 0.000 0.438 32 S N 0.358 116.109 115.700 0.085 0.000 2.482 32 S HA 0.434 5.047 4.470 0.239 0.000 0.303 32 S C -1.096 173.390 174.600 -0.189 0.000 1.091 32 S CA -1.970 56.235 58.200 0.008 0.000 1.057 32 S CB 1.960 64.951 63.200 -0.348 0.000 1.031 32 S HN 0.199 8.515 8.310 0.011 0.000 0.485 33 L N 6.471 127.449 121.223 -0.408 0.000 2.289 33 L HA 0.527 4.759 4.340 -0.379 -0.120 0.285 33 L C -1.489 174.897 176.870 -0.807 0.000 1.049 33 L CA -0.793 53.662 54.840 -0.641 0.000 0.804 33 L CB 1.010 42.485 42.059 -0.973 0.000 1.195 33 L HN 0.662 8.622 8.230 -0.450 0.000 0.428 38 G N -0.051 108.654 108.800 -0.158 0.000 2.179 38 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.220 38 G HA3 -0.282 3.744 3.960 0.110 0.000 0.220 38 G C -1.513 173.475 174.900 0.145 0.000 0.990 38 G CA 0.334 45.447 45.100 0.021 0.000 0.646 38 G HN 0.220 8.694 8.290 -0.198 -0.302 0.517 39 Y N -7.258 113.022 120.300 -0.033 0.000 2.732 39 Y HA 0.210 4.723 4.550 -0.060 0.000 0.342 39 Y C -2.549 173.348 175.900 -0.005 0.000 1.203 39 Y CA -3.461 54.618 58.100 -0.034 0.000 1.092 39 Y CB 0.689 39.128 38.460 -0.035 0.000 1.345 39 Y HN -1.171 6.891 8.280 -0.398 -0.021 0.458 40 H N 1.951 120.967 119.070 -0.090 0.000 2.690 40 H HA 0.144 4.650 4.556 -0.371 -0.172 0.314 40 H C -0.448 174.867 175.328 -0.022 0.000 1.069 40 H CA -0.374 55.546 56.048 -0.213 0.000 1.436 40 H CB 0.593 30.221 29.762 -0.223 0.000 1.462 40 H HN 0.304 8.690 8.280 0.176 0.000 0.511 41 F N 2.395 121.919 119.950 -0.710 0.000 2.834 41 F HA 0.424 4.865 4.527 -0.143 0.000 0.332 41 F C -1.482 174.069 175.800 -0.415 0.000 1.056 41 F CA -0.493 57.280 58.000 -0.377 0.000 1.178 41 F CB 1.836 40.698 39.000 -0.230 0.000 1.037 41 F HN -0.333 7.236 8.300 -1.219 0.000 0.580 42 c N -1.433 116.513 118.600 -1.090 0.000 3.321 42 c HA 0.316 4.774 4.570 -0.186 0.000 0.329 42 c C -1.695 172.211 174.090 -0.307 0.000 1.394 42 c CA -0.186 55.855 56.329 -0.480 0.000 1.291 42 c CB 4.085 46.408 42.510 -0.311 0.000 1.606 42 c HN -0.840 6.429 8.230 -1.603 0.000 0.463 43 G N -1.001 107.803 108.800 0.007 0.000 2.705 43 G HA2 0.818 5.069 3.960 0.258 0.000 0.299 43 G HA3 0.818 4.914 3.960 0.226 0.000 0.299 43 G C -2.522 172.412 174.900 0.055 0.000 1.315 43 G CA -1.650 43.546 45.100 0.160 0.000 1.045 43 G HN 0.730 9.030 8.290 0.017 0.000 0.517 44 G N -4.030 104.830 108.800 0.101 0.000 2.495 44 G HA2 0.499 4.790 3.960 0.074 0.000 0.294 44 G HA3 0.499 4.493 3.960 0.056 0.000 0.294 44 G C -2.920 172.062 174.900 0.136 0.000 1.397 44 G CA 0.366 45.517 45.100 0.084 0.000 0.790 44 G HN -0.629 7.751 8.290 0.150 0.000 0.486 45 S N -0.694 115.091 115.700 0.142 0.000 2.521 45 S HA 0.771 5.582 4.470 0.257 -0.186 0.295 45 S C -1.427 173.273 174.600 0.167 0.000 1.098 45 S CA -0.851 57.465 58.200 0.193 0.000 0.999 45 S CB 3.895 67.195 63.200 0.166 0.000 1.034 45 S HN 0.465 8.846 8.310 0.119 0.000 0.483 46 L N 6.006 127.343 121.223 0.191 0.000 2.313 46 L HA 0.193 4.730 4.340 0.145 -0.110 0.282 46 L C -0.779 176.174 176.870 0.138 0.000 1.092 46 L CA -0.258 54.676 54.840 0.157 0.000 0.831 46 L CB 1.064 43.216 42.059 0.155 0.000 1.159 46 L HN 0.423 8.806 8.230 0.254 0.000 0.442 47 I N 0.265 120.913 120.570 0.131 0.000 4.057 47 I HA 0.499 4.855 4.170 0.062 -0.148 0.334 47 I C -0.950 175.222 176.117 0.092 0.000 1.308 47 I CA -0.654 60.700 61.300 0.090 0.000 1.125 47 I CB 0.675 38.718 38.000 0.070 0.000 1.034 47 I HN 0.399 8.704 8.210 0.160 0.000 0.401 48 N N -2.221 116.556 118.700 0.128 0.000 3.179 48 N HA 0.180 4.975 4.740 0.090 0.000 0.250 48 N C -0.684 174.904 175.510 0.129 0.000 1.507 48 N CA -0.597 52.526 53.050 0.122 0.000 0.883 48 N CB 0.778 39.349 38.487 0.139 0.000 1.435 48 N HN -0.915 7.557 8.380 0.153 0.000 0.532 49 S N -3.587 112.177 115.700 0.107 0.000 2.507 49 S HA -0.301 4.212 4.470 0.071 0.000 0.235 49 S C 0.761 175.395 174.600 0.057 0.000 0.988 49 S CA 2.671 60.917 58.200 0.077 0.000 0.944 49 S CB -0.145 63.089 63.200 0.057 0.000 0.762 49 S HN 0.374 8.744 8.310 0.100 0.000 0.526 50 Q N -0.423 119.427 119.800 0.082 0.000 2.140 50 Q HA 0.335 4.621 4.340 -0.089 0.000 0.227 50 Q C -2.168 173.715 176.000 -0.196 0.000 0.798 50 Q CA -0.333 55.426 55.803 -0.072 0.000 0.987 50 Q CB 2.839 31.510 28.738 -0.112 0.000 1.161 50 Q HN 0.172 8.870 8.270 0.177 -0.322 0.480 51 W N -2.050 119.257 121.300 0.012 0.000 2.915 51 W HA 0.752 5.629 4.660 0.009 -0.212 0.337 51 W C -1.359 175.175 176.519 0.024 0.000 1.102 51 W CA -1.166 56.185 57.345 0.010 0.000 1.224 51 W CB 3.735 33.191 29.460 -0.006 0.000 1.416 51 W HN -0.169 8.331 8.180 0.264 -0.161 0.503 52 V N 1.122 121.193 119.914 0.263 0.000 2.769 52 V HA 0.839 5.247 4.120 0.169 -0.186 0.312 52 V C -1.424 174.785 176.094 0.191 0.000 1.061 52 V CA -1.762 60.645 62.300 0.178 0.000 0.931 52 V CB 3.703 35.588 31.823 0.104 0.000 1.010 52 V HN 0.779 9.137 8.190 0.280 0.000 0.433 53 V N 5.690 125.693 119.914 0.149 0.000 2.555 53 V HA 0.769 5.157 4.120 0.159 -0.172 0.302 53 V C -1.302 174.851 176.094 0.098 0.000 1.038 53 V CA -1.292 61.089 62.300 0.135 0.000 0.887 53 V CB 2.468 34.363 31.823 0.120 0.000 0.991 53 V HN 0.686 8.958 8.190 0.137 0.000 0.434 54 S N 4.292 120.038 115.700 0.077 0.000 2.880 54 S HA 0.552 5.241 4.470 0.035 -0.198 0.308 54 S C -2.083 172.508 174.600 -0.014 0.000 1.195 54 S CA -2.480 55.738 58.200 0.029 0.000 0.866 54 S CB 2.486 65.695 63.200 0.014 0.000 1.254 54 S HN 0.705 9.072 8.310 0.095 0.000 0.571 55 A N -0.384 122.385 122.820 -0.084 0.000 2.306 55 A HA 0.410 4.812 4.320 -0.121 -0.154 0.314 55 A C 0.855 178.308 177.584 -0.217 0.000 1.164 55 A CA -1.529 50.408 52.037 -0.166 0.000 0.822 55 A CB 1.463 20.296 19.000 -0.278 0.000 1.130 55 A HN 0.234 8.328 8.150 -0.095 0.000 0.496 56 A N 5.376 128.019 122.820 -0.295 0.000 1.940 56 A HA -0.280 3.893 4.320 -0.244 0.000 0.219 56 A C 1.448 178.796 177.584 -0.393 0.000 1.176 56 A CA 2.993 54.748 52.037 -0.471 0.000 0.631 56 A CB -0.446 17.897 19.000 -1.095 0.000 0.814 56 A HN 0.640 8.624 8.150 -0.277 0.000 0.446 57 H N -4.913 113.984 119.070 -0.288 0.000 2.563 57 H HA -0.092 4.479 4.556 0.025 0.000 0.272 57 H C 0.301 175.677 175.328 0.080 0.000 1.005 57 H CA 1.532 57.574 56.048 -0.010 0.000 1.171 57 H CB -0.930 28.907 29.762 0.125 0.000 1.351 57 H HN 0.067 8.509 8.280 -0.254 -0.315 0.602 58 c N -1.681 116.843 118.600 -0.126 0.000 2.697 58 c HA 0.018 4.679 4.570 0.151 0.000 0.267 58 c C 0.335 174.514 174.090 0.149 0.000 1.278 58 c CA 0.037 56.401 56.329 0.059 0.000 1.708 58 c CB -1.641 40.876 42.510 0.012 0.000 1.860 58 c HN -0.191 7.715 8.230 -0.226 0.189 0.589 59 Y N 3.612 123.915 120.300 0.005 0.000 2.610 59 Y HA -0.240 4.330 4.550 0.033 0.000 0.332 59 Y C -0.760 175.118 175.900 -0.038 0.000 1.201 59 Y CA 2.127 60.230 58.100 0.004 0.000 1.465 59 Y CB 0.566 39.016 38.460 -0.016 0.000 1.283 59 Y HN -0.392 7.802 8.280 0.169 0.188 0.563 60 K N 6.071 125.763 120.400 -1.181 0.000 2.735 60 K HA 0.196 4.119 4.320 -0.661 0.000 0.295 60 K C -2.510 173.593 176.600 -0.829 0.000 1.052 60 K CA -1.117 54.673 56.287 -0.828 0.000 0.853 60 K CB 2.241 34.405 32.500 -0.560 0.000 1.535 60 K HN -0.068 7.352 8.250 -1.383 0.000 0.383 61 S N -0.378 115.051 115.700 -0.453 0.000 2.690 61 S HA 0.156 4.451 4.470 -0.291 0.000 0.291 61 S C 0.735 175.212 174.600 -0.205 0.000 1.138 61 S CA -0.357 57.680 58.200 -0.271 0.000 1.013 61 S CB 1.362 64.487 63.200 -0.126 0.000 1.053 61 S HN -0.167 7.941 8.310 -0.336 0.000 0.539 62 G N -0.036 108.682 108.800 -0.136 0.000 2.248 62 G HA2 -0.161 3.751 3.960 -0.081 0.000 0.252 62 G HA3 -0.161 3.733 3.960 -0.111 0.000 0.252 62 G C -1.442 173.398 174.900 -0.101 0.000 1.085 62 G CA 0.060 45.096 45.100 -0.107 0.000 0.845 62 G HN 0.316 8.537 8.290 -0.114 0.000 0.494 63 I N -1.137 119.382 120.570 -0.084 0.000 2.353 63 I HA 0.119 4.433 4.170 0.025 -0.129 0.293 63 I C -1.636 174.443 176.117 -0.063 0.000 0.992 63 I CA -0.820 60.462 61.300 -0.029 0.000 1.268 63 I CB 0.888 38.891 38.000 0.003 0.000 1.387 63 I HN -0.499 7.654 8.210 -0.095 0.000 0.478 64 Q N 7.036 126.781 119.800 -0.091 0.000 3.106 64 Q HA 0.609 4.991 4.340 -0.089 -0.096 0.247 64 Q C -1.678 174.226 176.000 -0.160 0.000 1.033 64 Q CA -2.029 53.700 55.803 -0.125 0.000 0.888 64 Q CB 4.381 33.014 28.738 -0.175 0.000 1.586 64 Q HN 0.456 8.673 8.270 -0.087 0.000 0.482 65 R N -2.452 117.977 120.500 -0.118 0.000 3.321 65 R HA 0.391 4.957 4.340 0.095 -0.169 0.285 65 R C -1.376 174.953 176.300 0.047 0.000 1.149 65 R CA 0.056 56.124 56.100 -0.054 0.000 1.191 65 R CB 2.277 32.398 30.300 -0.298 0.000 1.276 65 R HN 0.634 8.821 8.270 -0.139 0.000 0.429 70 E N -0.385 119.906 120.200 0.152 0.000 2.283 70 E HA 0.114 4.537 4.350 0.121 0.000 0.271 70 E C -1.824 174.947 176.600 0.286 0.000 1.031 70 E CA 0.297 56.800 56.400 0.172 0.000 0.868 70 E CB 1.522 31.261 29.700 0.064 0.000 1.094 70 E HN -0.629 7.801 8.360 0.173 0.034 0.401 71 D N 0.981 121.526 120.400 0.241 0.000 2.912 71 D HA 0.052 4.909 4.640 0.361 0.000 0.170 71 D C -1.086 175.397 176.300 0.304 0.000 1.484 71 D CA 0.934 55.098 54.000 0.274 0.000 1.542 71 D CB 2.442 43.322 40.800 0.134 0.000 1.344 71 D HN 0.100 8.562 8.370 0.152 0.000 0.222 72 N N 1.036 119.827 118.700 0.152 0.000 2.401 72 N HA 0.133 5.094 4.740 0.151 -0.131 0.255 72 N C 2.075 177.576 175.510 -0.016 0.000 1.110 72 N CA -0.400 52.708 53.050 0.096 0.000 0.949 72 N CB 0.451 38.975 38.487 0.062 0.000 1.110 72 N HN -0.551 8.158 8.380 0.114 -0.262 0.490 73 I N -0.140 120.325 120.570 -0.175 0.000 3.444 73 I HA -0.009 4.143 4.170 -0.292 -0.158 0.287 73 I C -0.481 175.538 176.117 -0.163 0.000 1.302 73 I CA 0.993 62.094 61.300 -0.331 0.000 1.368 73 I CB -0.766 36.780 38.000 -0.756 0.000 1.048 73 I HN 0.530 8.640 8.210 -0.166 0.000 0.487 74 N N -1.989 116.666 118.700 -0.076 0.000 2.205 74 N HA 0.140 4.859 4.740 -0.036 0.000 0.201 74 N C -0.863 174.649 175.510 0.004 0.000 1.128 74 N CA -0.070 52.963 53.050 -0.029 0.000 0.867 74 N CB 2.195 40.676 38.487 -0.011 0.000 0.996 74 N HN 0.015 8.650 8.380 -0.056 -0.288 0.503 75 V N -0.017 119.904 119.914 0.011 0.000 2.588 75 V HA 0.038 4.172 4.120 0.022 0.000 0.304 75 V C -1.349 174.762 176.094 0.029 0.000 1.042 75 V CA -1.140 61.174 62.300 0.022 0.000 0.877 75 V CB 3.293 35.128 31.823 0.021 0.000 0.996 75 V HN -0.783 7.457 8.190 0.001 -0.049 0.425 76 V N 7.630 127.557 119.914 0.022 0.000 2.389 76 V HA -0.173 4.178 4.120 0.010 -0.226 0.264 76 V C 0.139 176.226 176.094 -0.011 0.000 1.049 76 V CA 0.648 62.946 62.300 -0.003 0.000 0.932 76 V CB -0.247 31.554 31.823 -0.037 0.000 1.011 76 V HN 0.309 8.510 8.190 0.019 0.000 0.475 77 E N 7.996 128.193 120.200 -0.006 0.000 2.473 77 E HA 0.122 4.471 4.350 -0.003 0.000 0.204 77 E C -0.189 176.403 176.600 -0.014 0.000 0.994 77 E CA -0.354 56.045 56.400 -0.002 0.000 0.945 77 E CB 0.744 30.453 29.700 0.015 0.000 0.990 77 E HN 0.278 9.049 8.360 -0.000 -0.411 0.493 78 G N -0.104 108.677 108.800 -0.030 0.000 2.539 78 G HA2 -0.218 3.704 3.960 -0.063 0.000 0.686 78 G HA3 -0.218 3.725 3.960 -0.029 0.000 0.686 78 G C -1.740 173.143 174.900 -0.029 0.000 1.258 78 G CA -0.728 44.348 45.100 -0.040 0.000 0.846 78 G HN -0.464 8.069 8.290 -0.038 -0.265 0.647 79 N N -4.005 114.673 118.700 -0.037 0.000 2.980 79 N HA -0.270 4.458 4.740 -0.020 0.000 0.213 79 N C -0.907 174.590 175.510 -0.020 0.000 0.892 79 N CA 1.312 54.351 53.050 -0.019 0.000 1.025 79 N CB -0.278 38.212 38.487 0.005 0.000 1.030 79 N HN 0.156 8.505 8.380 -0.051 0.000 0.585 80 E N -0.918 119.249 120.200 -0.054 0.000 2.383 80 E HA 0.113 4.719 4.350 0.038 -0.233 0.264 80 E C -0.155 176.374 176.600 -0.118 0.000 1.050 80 E CA 0.776 57.142 56.400 -0.057 0.000 0.896 80 E CB 0.484 30.087 29.700 -0.162 0.000 0.982 80 E HN -0.189 8.023 8.360 -0.075 0.103 0.424 81 Q N 1.433 121.236 119.800 0.004 0.000 2.285 81 Q HA 0.272 4.562 4.340 -0.083 0.000 0.269 81 Q C -1.599 174.553 176.000 0.252 0.000 1.030 81 Q CA -1.148 54.666 55.803 0.019 0.000 0.788 81 Q CB 3.172 31.933 28.738 0.038 0.000 1.266 81 Q HN 0.214 8.559 8.270 0.124 0.000 0.438 82 F N 3.443 123.373 119.950 -0.033 0.000 2.375 82 F HA 0.477 5.158 4.527 -0.049 -0.184 0.361 82 F C -0.266 175.509 175.800 -0.041 0.000 1.117 82 F CA -2.903 55.071 58.000 -0.043 0.000 1.037 82 F CB 0.984 39.957 39.000 -0.045 0.000 1.192 82 F HN 0.377 8.724 8.300 0.078 0.000 0.452 83 I N 4.009 124.650 120.570 0.118 0.000 2.545 83 I HA 0.249 4.445 4.170 0.044 0.000 0.292 83 I C -1.373 174.741 176.117 -0.006 0.000 1.040 83 I CA -1.457 59.867 61.300 0.039 0.000 1.068 83 I CB 3.989 41.998 38.000 0.016 0.000 1.251 83 I HN 0.765 9.030 8.210 0.092 0.000 0.424 84 S N 5.085 120.774 115.700 -0.019 0.000 2.601 84 S HA 0.129 4.569 4.470 -0.049 0.000 0.271 84 S C -0.477 174.087 174.600 -0.060 0.000 1.305 84 S CA 0.472 58.648 58.200 -0.041 0.000 1.022 84 S CB 1.102 64.281 63.200 -0.035 0.000 0.940 84 S HN 0.394 8.698 8.310 -0.010 0.000 0.525 85 A N 3.496 126.277 122.820 -0.066 0.000 2.388 85 A HA 0.203 4.580 4.320 -0.102 -0.118 0.257 85 A C -0.212 177.322 177.584 -0.083 0.000 1.095 85 A CA -0.293 51.695 52.037 -0.081 0.000 0.791 85 A CB 0.621 19.585 19.000 -0.061 0.000 1.029 85 A HN -0.165 7.948 8.150 -0.061 0.000 0.489 86 S N 3.013 118.643 115.700 -0.117 0.000 2.441 86 S HA 0.055 4.482 4.470 -0.072 0.000 0.224 86 S C 0.310 174.867 174.600 -0.071 0.000 1.043 86 S CA 1.363 59.503 58.200 -0.100 0.000 0.948 86 S CB 0.934 64.050 63.200 -0.140 0.000 0.810 86 S HN 0.789 8.877 8.310 -0.166 0.122 0.504 87 K N -0.720 119.632 120.400 -0.081 0.000 2.568 87 K HA 0.291 4.630 4.320 0.032 0.000 0.273 87 K C -2.673 173.949 176.600 0.037 0.000 0.951 87 K CA -0.585 55.701 56.287 -0.001 0.000 0.854 87 K CB 2.555 35.063 32.500 0.013 0.000 1.424 87 K HN -0.803 7.363 8.250 -0.139 0.000 0.427 88 S N 1.158 116.940 115.700 0.138 0.000 2.502 88 S HA 0.700 5.437 4.470 0.173 -0.163 0.304 88 S C -0.771 173.964 174.600 0.225 0.000 1.097 88 S CA -0.451 57.876 58.200 0.211 0.000 1.045 88 S CB 2.640 66.030 63.200 0.316 0.000 1.019 88 S HN 0.198 8.607 8.310 0.165 0.000 0.481 89 I N 7.421 128.132 120.570 0.234 0.000 2.428 89 I HA 0.098 4.363 4.170 0.159 0.000 0.279 89 I C -1.426 174.836 176.117 0.241 0.000 1.040 89 I CA -0.863 60.566 61.300 0.216 0.000 1.171 89 I CB 1.069 39.208 38.000 0.232 0.000 1.312 89 I HN 1.035 9.293 8.210 0.260 0.109 0.470 90 V N 8.038 128.024 119.914 0.121 0.000 2.686 90 V HA -0.206 3.959 4.120 0.076 0.000 0.295 90 V C -0.259 175.922 176.094 0.145 0.000 1.055 90 V CA -0.225 62.113 62.300 0.063 0.000 1.050 90 V CB 0.807 32.565 31.823 -0.108 0.000 0.984 90 V HN 0.346 8.560 8.190 0.041 0.000 0.482 91 H N 8.837 127.896 119.070 -0.017 0.000 3.034 91 H HA -0.005 4.464 4.556 -0.144 0.000 0.324 91 H C -0.469 174.840 175.328 -0.031 0.000 1.015 91 H CA 0.236 56.165 56.048 -0.199 0.000 1.429 91 H CB 1.570 31.012 29.762 -0.532 0.000 1.429 91 H HN -0.250 8.074 8.280 0.072 0.000 0.585 92 P HA -0.079 4.361 4.420 0.033 0.000 0.220 92 P C -0.423 176.933 177.300 0.094 0.000 1.148 92 P CA 1.376 64.468 63.100 -0.012 0.000 0.803 92 P CB 0.367 32.037 31.700 -0.051 0.000 0.782 93 S N -3.478 112.371 115.700 0.248 0.000 2.582 93 S HA 0.034 4.564 4.470 0.100 0.000 0.234 93 S C -0.576 174.124 174.600 0.167 0.000 0.961 93 S CA 0.015 58.333 58.200 0.197 0.000 0.953 93 S CB 0.389 63.703 63.200 0.190 0.000 0.800 93 S HN -0.491 8.042 8.310 0.431 0.036 0.471 94 Y N 3.763 124.109 120.300 0.077 0.000 2.526 94 Y HA -0.302 4.405 4.550 -0.046 -0.186 0.330 94 Y C -0.927 174.966 175.900 -0.012 0.000 1.156 94 Y CA 0.775 58.875 58.100 -0.001 0.000 1.419 94 Y CB 0.822 39.286 38.460 0.007 0.000 1.250 94 Y HN -0.702 7.608 8.280 0.336 0.171 0.540 95 N N 7.258 125.595 118.700 -0.604 0.000 2.479 95 N HA 0.215 4.678 4.740 -0.461 0.000 0.261 95 N C -0.214 174.772 175.510 -0.874 0.000 0.979 95 N CA -1.322 51.390 53.050 -0.564 0.000 0.930 95 N CB 1.780 40.101 38.487 -0.276 0.000 1.172 95 N HN -0.104 8.036 8.380 -0.400 0.000 0.499 96 S N 6.570 121.766 115.700 -0.840 0.000 2.515 96 S HA -0.063 4.026 4.470 -0.635 0.000 0.231 96 S C 0.705 175.127 174.600 -0.296 0.000 0.987 96 S CA 2.274 60.144 58.200 -0.550 0.000 0.936 96 S CB -0.158 62.882 63.200 -0.266 0.000 0.766 96 S HN 0.623 8.544 8.310 -0.648 0.000 0.528 97 N N 1.879 120.411 118.700 -0.281 0.000 2.336 97 N HA 0.011 4.630 4.740 -0.201 0.000 0.177 97 N C 0.924 176.278 175.510 -0.259 0.000 1.018 97 N CA 2.181 55.098 53.050 -0.222 0.000 0.878 97 N CB 0.589 38.973 38.487 -0.172 0.000 0.997 97 N HN 0.395 8.822 8.380 -0.310 -0.233 0.433 98 T N -4.218 110.179 114.554 -0.262 0.000 3.014 98 T HA 0.086 4.245 4.350 -0.319 0.000 0.250 98 T C 0.103 174.630 174.700 -0.289 0.000 1.060 98 T CA 0.328 62.267 62.100 -0.269 0.000 1.040 98 T CB 1.809 70.573 68.868 -0.174 0.000 0.971 98 T HN -0.387 7.972 8.240 -0.264 -0.278 0.497 99 L N -3.433 117.654 121.223 -0.227 0.000 4.089 99 L HA -0.507 3.959 4.340 0.083 -0.075 0.408 99 L C -1.886 175.028 176.870 0.073 0.000 1.184 99 L CA 0.371 55.192 54.840 -0.033 0.000 0.947 99 L CB -2.693 39.312 42.059 -0.090 0.000 2.066 99 L HN -0.137 7.928 8.230 -0.276 0.000 0.851 100 N N -1.003 117.691 118.700 -0.011 0.000 2.530 100 N HA -0.123 4.667 4.740 0.083 0.000 0.273 100 N C -0.063 175.491 175.510 0.074 0.000 1.173 100 N CA 0.481 53.553 53.050 0.038 0.000 0.967 100 N CB 1.315 39.796 38.487 -0.010 0.000 1.109 100 N HN -0.740 7.536 8.380 -0.109 0.039 0.453 101 N N -0.799 117.934 118.700 0.055 0.000 2.756 101 N HA -0.468 4.186 4.740 -0.144 0.000 0.248 101 N C -1.459 174.018 175.510 -0.054 0.000 1.062 101 N CA 1.376 54.356 53.050 -0.117 0.000 0.696 101 N CB -1.482 36.818 38.487 -0.311 0.000 0.946 101 N HN 0.654 9.088 8.380 0.091 0.000 0.548 102 D N -1.015 119.397 120.400 0.020 0.000 2.551 102 D HA 0.072 4.686 4.640 -0.042 0.000 0.223 102 D C -1.687 174.514 176.300 -0.165 0.000 1.144 102 D CA -0.399 53.605 54.000 0.007 0.000 1.025 102 D CB -0.679 40.227 40.800 0.178 0.000 1.085 102 D HN -0.108 8.289 8.370 0.045 0.000 0.506 103 I N 2.427 122.838 120.570 -0.265 0.000 2.722 103 I HA 0.565 4.817 4.170 -0.138 -0.165 0.295 103 I C -3.083 172.989 176.117 -0.076 0.000 1.161 103 I CA -1.483 59.689 61.300 -0.212 0.000 1.032 103 I CB 4.077 41.807 38.000 -0.449 0.000 1.244 103 I HN -0.097 7.902 8.210 -0.279 0.043 0.421 104 M N 6.461 126.090 119.600 0.048 0.000 2.484 104 M HA 0.685 5.480 4.480 0.243 -0.169 0.289 104 M C -2.771 173.663 176.300 0.223 0.000 1.206 104 M CA -1.155 54.240 55.300 0.159 0.000 0.892 104 M CB 4.890 37.538 32.600 0.081 0.000 1.712 104 M HN 0.548 8.860 8.290 0.037 0.000 0.462 105 L N 2.760 124.153 121.223 0.283 0.000 2.346 105 L HA 0.869 5.540 4.340 0.268 -0.170 0.274 105 L C -1.367 175.700 176.870 0.329 0.000 1.007 105 L CA -1.499 53.523 54.840 0.304 0.000 0.818 105 L CB 3.456 45.674 42.059 0.264 0.000 1.284 105 L HN 0.185 8.603 8.230 0.313 0.000 0.424 106 I N 0.808 121.555 120.570 0.296 0.000 2.465 106 I HA 0.541 4.928 4.170 0.099 -0.158 0.291 106 I C -1.567 174.489 176.117 -0.101 0.000 1.014 106 I CA -1.364 60.001 61.300 0.109 0.000 1.093 106 I CB 3.075 41.109 38.000 0.057 0.000 1.267 106 I HN 0.959 9.366 8.210 0.329 0.000 0.431 107 K N 6.315 126.463 120.400 -0.420 0.000 2.130 107 K HA 0.661 4.327 4.320 -1.343 -0.152 0.268 107 K C -1.121 175.199 176.600 -0.467 0.000 0.983 107 K CA -1.848 53.863 56.287 -0.959 0.000 0.893 107 K CB 3.161 34.937 32.500 -1.208 0.000 1.066 107 K HN 0.730 8.825 8.250 -0.260 0.000 0.450 108 L N 3.886 124.859 121.223 -0.417 0.000 2.357 108 L HA 0.293 4.646 4.340 -0.167 -0.113 0.273 108 L C 1.807 178.561 176.870 -0.194 0.000 1.080 108 L CA -0.407 54.303 54.840 -0.217 0.000 0.803 108 L CB 0.557 42.530 42.059 -0.143 0.000 1.174 108 L HN 0.767 8.569 8.230 -0.550 0.098 0.443 109 K N 3.821 124.146 120.400 -0.125 0.000 2.032 109 K HA -0.349 3.908 4.320 -0.105 0.000 0.209 109 K C -0.592 175.959 176.600 -0.081 0.000 1.048 109 K CA 2.767 58.998 56.287 -0.094 0.000 0.927 109 K CB 0.362 32.825 32.500 -0.060 0.000 0.712 109 K HN 0.641 8.829 8.250 -0.104 0.000 0.441 110 S N -4.290 111.370 115.700 -0.067 0.000 2.632 110 S HA 0.117 4.557 4.470 -0.051 0.000 0.289 110 S C -1.729 172.843 174.600 -0.047 0.000 1.115 110 S CA -1.020 57.151 58.200 -0.048 0.000 0.889 110 S CB 2.729 65.912 63.200 -0.028 0.000 1.116 110 S HN -0.357 7.916 8.310 -0.062 0.000 0.486 111 A N -0.597 122.204 122.820 -0.031 0.000 2.386 111 A HA 0.153 4.602 4.320 -0.028 -0.145 0.248 111 A C -0.328 177.254 177.584 -0.003 0.000 1.082 111 A CA -0.182 51.846 52.037 -0.016 0.000 0.789 111 A CB 0.588 19.588 19.000 0.000 0.000 1.025 111 A HN 0.191 8.326 8.150 -0.025 0.000 0.490 112 A N 0.442 123.268 122.820 0.009 0.000 2.286 112 A HA 0.249 4.655 4.320 0.014 -0.078 0.286 112 A C -0.581 177.016 177.584 0.021 0.000 1.097 112 A CA -1.474 50.575 52.037 0.018 0.000 0.821 112 A CB 1.551 20.570 19.000 0.032 0.000 1.076 112 A HN 0.280 8.331 8.150 0.012 0.106 0.490 113 S N 0.554 116.265 115.700 0.018 0.000 2.430 113 S HA 0.079 4.559 4.470 0.017 0.000 0.289 113 S C -0.523 174.091 174.600 0.024 0.000 1.143 113 S CA -0.387 57.823 58.200 0.017 0.000 1.067 113 S CB 0.526 63.731 63.200 0.008 0.000 0.964 113 S HN 0.040 8.706 8.310 0.016 -0.347 0.485 114 L N 6.002 127.242 121.223 0.029 0.000 2.375 114 L HA 0.193 4.674 4.340 0.041 -0.116 0.271 114 L C -0.466 176.422 176.870 0.030 0.000 1.107 114 L CA -0.243 54.618 54.840 0.037 0.000 0.806 114 L CB 0.679 42.764 42.059 0.043 0.000 1.146 114 L HN 0.214 8.460 8.230 0.027 0.000 0.447 115 N N 2.547 121.266 118.700 0.032 0.000 3.622 115 N HA 0.153 4.908 4.740 0.024 0.000 0.352 115 N C -1.420 174.109 175.510 0.031 0.000 1.559 115 N CA -0.535 52.531 53.050 0.026 0.000 0.801 115 N CB 0.584 39.082 38.487 0.019 0.000 2.399 115 N HN 0.438 8.733 8.380 0.039 0.108 0.545 116 S N -3.017 112.698 115.700 0.026 0.000 2.461 116 S HA -0.133 4.358 4.470 0.034 0.000 0.228 116 S C 0.731 175.349 174.600 0.029 0.000 1.005 116 S CA 2.035 60.252 58.200 0.029 0.000 0.942 116 S CB 0.123 63.336 63.200 0.022 0.000 0.776 116 S HN 0.043 8.366 8.310 0.021 0.000 0.514 117 R N -1.005 119.510 120.500 0.025 0.000 2.254 117 R HA 0.131 4.481 4.340 0.016 0.000 0.195 117 R C -1.099 175.218 176.300 0.028 0.000 0.957 117 R CA 0.069 56.182 56.100 0.022 0.000 1.024 117 R CB 0.873 31.185 30.300 0.019 0.000 0.952 117 R HN -0.058 8.474 8.270 0.023 -0.249 0.484 118 V N -1.701 118.236 119.914 0.038 0.000 2.447 118 V HA 0.275 4.621 4.120 0.053 -0.195 0.292 118 V C -2.184 173.949 176.094 0.065 0.000 1.021 118 V CA -1.048 61.283 62.300 0.052 0.000 0.850 118 V CB 2.572 34.424 31.823 0.048 0.000 1.005 118 V HN -0.440 7.975 8.190 0.036 -0.203 0.426 119 A N 6.535 129.411 122.820 0.093 0.000 2.556 119 A HA 0.485 4.856 4.320 0.085 0.000 0.294 119 A C -2.731 174.943 177.584 0.151 0.000 1.091 119 A CA -1.078 51.024 52.037 0.108 0.000 0.704 119 A CB 3.354 22.420 19.000 0.111 0.000 1.300 119 A HN 0.235 8.331 8.150 0.102 0.115 0.406 120 S N -1.404 114.368 115.700 0.121 0.000 2.693 120 S HA 0.564 5.255 4.470 0.162 -0.124 0.276 120 S C -0.594 174.055 174.600 0.081 0.000 1.192 120 S CA -1.299 56.973 58.200 0.120 0.000 0.994 120 S CB 1.752 65.003 63.200 0.086 0.000 1.012 120 S HN -0.017 8.349 8.310 0.093 0.000 0.550 121 I N 0.069 120.641 120.570 0.002 0.000 2.693 121 I HA 0.221 4.317 4.170 -0.124 0.000 0.303 121 I C -1.163 174.902 176.117 -0.087 0.000 1.025 121 I CA -1.600 59.607 61.300 -0.155 0.000 1.086 121 I CB 4.111 41.798 38.000 -0.521 0.000 1.268 121 I HN 0.057 8.284 8.210 0.028 0.000 0.440 122 S N 5.486 121.134 115.700 -0.087 0.000 2.584 122 S HA 0.241 4.694 4.470 -0.029 0.000 0.273 122 S C -0.691 173.880 174.600 -0.047 0.000 1.311 122 S CA -0.352 57.819 58.200 -0.049 0.000 1.034 122 S CB 0.883 64.060 63.200 -0.038 0.000 0.939 122 S HN 0.193 8.437 8.310 -0.110 0.000 0.513 123 L N 2.780 123.990 121.223 -0.022 0.000 2.418 123 L HA 0.155 4.495 4.340 -0.001 0.000 0.265 123 L C -1.319 175.546 176.870 -0.007 0.000 1.143 123 L CA -1.942 52.896 54.840 -0.003 0.000 0.809 123 L CB 0.077 42.142 42.059 0.011 0.000 1.124 123 L HN 0.233 8.453 8.230 -0.017 0.000 0.456 124 P HA 0.126 4.535 4.420 -0.019 0.000 0.276 124 P C -1.168 176.130 177.300 -0.003 0.000 1.252 124 P CA -0.717 62.378 63.100 -0.008 0.000 0.802 124 P CB 0.749 32.442 31.700 -0.010 0.000 1.035 128 c N 0.532 119.106 118.600 -0.044 0.000 2.580 128 c HA 0.048 4.578 4.570 -0.067 0.000 0.371 128 c C 0.016 174.046 174.090 -0.100 0.000 1.308 128 c CA -0.621 55.666 56.329 -0.069 0.000 2.428 128 c CB 0.420 42.893 42.510 -0.062 0.000 2.529 128 c HN -0.032 8.175 8.230 -0.037 0.000 0.657 129 A N 0.540 123.264 122.820 -0.161 0.000 2.279 129 A HA 0.102 4.347 4.320 -0.124 0.000 0.303 129 A C -0.954 176.527 177.584 -0.171 0.000 1.108 129 A CA -0.406 51.527 52.037 -0.173 0.000 0.830 129 A CB 1.298 20.156 19.000 -0.237 0.000 1.106 129 A HN 0.214 8.240 8.150 -0.206 0.000 0.493 133 G N 0.654 109.415 108.800 -0.065 0.000 2.299 133 G HA2 -0.264 3.665 3.960 -0.053 0.000 0.237 133 G HA3 -0.264 3.669 3.960 -0.045 0.000 0.237 133 G C 0.051 174.913 174.900 -0.064 0.000 1.027 133 G CA 0.214 45.281 45.100 -0.056 0.000 0.619 133 G HN 0.688 8.831 8.290 -0.068 0.107 0.513 134 T N 3.573 118.078 114.554 -0.082 0.000 2.928 134 T HA -0.216 4.096 4.350 -0.063 0.000 0.305 134 T C -1.127 173.526 174.700 -0.078 0.000 1.035 134 T CA 2.513 64.563 62.100 -0.083 0.000 1.145 134 T CB 0.619 69.418 68.868 -0.114 0.000 0.963 134 T HN -0.550 7.546 8.240 -0.095 0.088 0.545 135 Q N 5.571 125.339 119.800 -0.053 0.000 2.256 135 Q HA 0.214 4.650 4.340 -0.046 -0.124 0.254 135 Q C -0.899 175.081 176.000 -0.032 0.000 0.916 135 Q CA 0.092 55.874 55.803 -0.034 0.000 0.932 135 Q CB 1.652 30.386 28.738 -0.007 0.000 1.207 135 Q HN 0.179 8.423 8.270 -0.045 0.000 0.426 136 c N 3.285 121.867 118.600 -0.029 0.000 3.044 136 c HA 0.599 5.262 4.570 -0.016 -0.103 0.315 136 c C -1.966 172.129 174.090 0.008 0.000 1.320 136 c CA -1.581 54.734 56.329 -0.022 0.000 1.582 136 c CB 4.370 46.848 42.510 -0.054 0.000 2.039 136 c HN 0.788 8.891 8.230 -0.031 0.109 0.466 137 L N 0.817 122.053 121.223 0.022 0.000 2.313 137 L HA 0.915 5.472 4.340 0.049 -0.187 0.283 137 L C -2.204 174.681 176.870 0.025 0.000 1.013 137 L CA -1.389 53.478 54.840 0.044 0.000 0.816 137 L CB 3.255 45.361 42.059 0.079 0.000 1.236 137 L HN 0.681 8.814 8.230 0.018 0.107 0.419 138 I N 7.300 127.869 120.570 -0.002 0.000 2.474 138 I HA 0.864 5.277 4.170 0.012 -0.236 0.294 138 I C -1.291 174.791 176.117 -0.058 0.000 1.005 138 I CA -1.527 59.767 61.300 -0.010 0.000 1.113 138 I CB 2.487 40.483 38.000 -0.007 0.000 1.289 138 I HN 0.898 9.108 8.210 -0.001 0.000 0.436 139 S N 2.677 118.334 115.700 -0.071 0.000 2.627 139 S HA 1.062 5.561 4.470 -0.233 -0.169 0.283 139 S C -1.058 173.414 174.600 -0.214 0.000 1.127 139 S CA -1.907 56.176 58.200 -0.196 0.000 0.863 139 S CB 3.760 66.805 63.200 -0.259 0.000 1.121 139 S HN -0.219 8.081 8.310 -0.017 0.000 0.479 140 G N -1.384 107.189 108.800 -0.378 0.000 2.321 140 G HA2 0.121 3.812 3.960 -0.449 0.000 0.298 140 G HA3 0.121 4.185 3.960 -0.088 -0.157 0.298 140 G C -2.285 172.370 174.900 -0.408 0.000 1.385 140 G CA 0.522 45.419 45.100 -0.338 0.000 0.856 140 G HN 0.314 8.321 8.290 -0.472 0.000 0.584 141 W N 1.190 122.445 121.300 -0.075 0.000 3.015 141 W HA 0.379 4.992 4.660 -0.078 0.000 0.429 141 W C -0.277 176.292 176.519 0.084 0.000 0.976 141 W CA -1.005 56.270 57.345 -0.116 0.000 2.086 141 W CB 0.046 29.236 29.460 -0.451 0.000 1.125 141 W HN 0.583 8.902 8.180 0.232 0.000 0.721 142 G N 0.665 109.635 108.800 0.284 0.000 2.588 142 G HA2 0.012 4.311 3.960 0.547 0.000 0.281 142 G HA3 0.012 4.291 3.960 0.258 -0.164 0.281 142 G C -0.960 173.995 174.900 0.092 0.000 1.236 142 G CA -0.918 44.371 45.100 0.316 0.000 0.969 142 G HN -0.563 7.959 8.290 0.166 -0.133 0.504 143 N N -0.255 118.377 118.700 -0.114 0.000 2.293 143 N HA -0.305 4.169 4.740 -0.774 -0.198 0.253 143 N C 0.853 176.261 175.510 -0.170 0.000 1.248 143 N CA 1.242 54.039 53.050 -0.421 0.000 0.845 143 N CB 0.601 38.848 38.487 -0.400 0.000 1.073 143 N HN 0.227 8.638 8.380 0.050 0.000 0.464 144 T N 0.486 114.941 114.554 -0.165 0.000 3.054 144 T HA 0.204 4.658 4.350 -0.058 -0.139 0.255 144 T C 0.157 174.818 174.700 -0.065 0.000 1.035 144 T CA 0.368 62.420 62.100 -0.080 0.000 0.941 144 T CB 1.370 70.205 68.868 -0.055 0.000 1.026 144 T HN 0.136 8.238 8.240 -0.230 0.000 0.533 145 K N 2.340 122.689 120.400 -0.085 0.000 2.259 145 K HA 0.300 4.600 4.320 -0.034 0.000 0.252 145 K C -0.409 176.169 176.600 -0.037 0.000 0.936 145 K CA -1.111 55.145 56.287 -0.051 0.000 0.810 145 K CB 2.774 35.244 32.500 -0.051 0.000 1.143 145 K HN -0.729 7.654 8.250 -0.134 -0.213 0.427 146 S N 0.350 116.042 115.700 -0.015 0.000 2.439 146 S HA -0.074 4.399 4.470 0.004 0.000 0.224 146 S C -0.075 174.529 174.600 0.005 0.000 1.029 146 S CA 1.701 59.901 58.200 0.001 0.000 0.946 146 S CB 0.916 64.122 63.200 0.010 0.000 0.797 146 S HN 0.115 8.417 8.310 -0.012 0.000 0.504 147 S N 1.944 117.645 115.700 0.001 0.000 2.328 147 S HA 0.196 4.672 4.470 0.011 0.000 0.204 147 S C -0.879 173.721 174.600 0.001 0.000 1.475 147 S CA -0.227 57.977 58.200 0.006 0.000 1.148 147 S CB -0.365 62.840 63.200 0.007 0.000 1.077 147 S HN -0.457 7.851 8.310 -0.004 0.000 0.479 148 G N 1.452 110.252 108.800 -0.001 0.000 2.353 148 G HA2 -0.181 3.786 3.960 0.011 0.000 0.424 148 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.424 148 G C -2.762 172.123 174.900 -0.025 0.000 1.320 148 G CA -0.605 44.493 45.100 -0.002 0.000 0.995 148 G HN -0.441 7.851 8.290 0.003 0.000 0.580 149 T N -3.605 110.938 114.554 -0.018 0.000 2.815 149 T HA 0.088 4.509 4.350 -0.190 -0.185 0.289 149 T C -1.310 173.337 174.700 -0.089 0.000 1.000 149 T CA -1.223 60.832 62.100 -0.075 0.000 0.958 149 T CB 1.793 70.714 68.868 0.089 0.000 0.944 149 T HN -0.130 8.115 8.240 0.010 0.000 0.442 150 S N 5.770 121.332 115.700 -0.230 0.000 2.756 150 S HA 0.330 4.809 4.470 0.015 0.000 0.303 150 S C -2.112 172.358 174.600 -0.217 0.000 1.135 150 S CA -1.015 57.124 58.200 -0.101 0.000 1.066 150 S CB 1.887 65.051 63.200 -0.060 0.000 1.008 150 S HN 0.917 9.443 8.310 -0.371 -0.439 0.482 151 Y N 6.967 127.307 120.300 0.067 0.000 2.331 151 Y HA 0.286 4.894 4.550 0.098 0.000 0.338 151 Y C -1.482 174.470 175.900 0.086 0.000 0.992 151 Y CA -2.594 55.560 58.100 0.089 0.000 1.121 151 Y CB 0.980 39.503 38.460 0.105 0.000 1.184 151 Y HN 0.239 8.683 8.280 0.272 0.000 0.469 152 P HA 0.343 4.842 4.420 0.131 0.000 0.276 152 P C -1.537 175.895 177.300 0.219 0.000 1.261 152 P CA -0.748 62.457 63.100 0.174 0.000 0.800 152 P CB 1.957 33.731 31.700 0.123 0.000 1.066 153 D N -2.721 117.784 120.400 0.175 0.000 2.323 153 D HA -0.068 4.637 4.640 0.108 0.000 0.218 153 D C -1.241 175.210 176.300 0.252 0.000 0.973 153 D CA 1.332 55.422 54.000 0.149 0.000 0.890 153 D CB 0.898 41.753 40.800 0.092 0.000 1.011 153 D HN 0.412 8.866 8.370 0.140 0.000 0.499 154 V N -7.437 112.627 119.914 0.249 0.000 3.096 154 V HA 0.610 5.146 4.120 0.433 -0.157 0.319 154 V C -0.738 175.437 176.094 0.134 0.000 1.082 154 V CA -2.782 59.685 62.300 0.279 0.000 1.022 154 V CB 1.995 33.892 31.823 0.125 0.000 1.103 154 V HN -0.914 7.379 8.190 0.172 0.000 0.455 155 L N 1.173 122.346 121.223 -0.082 0.000 2.453 155 L HA -0.038 3.507 4.340 -1.325 0.000 0.272 155 L C -0.246 176.378 176.870 -0.411 0.000 1.182 155 L CA 0.771 55.207 54.840 -0.674 0.000 0.858 155 L CB 0.765 42.416 42.059 -0.679 0.000 1.120 155 L HN -0.160 8.320 8.230 0.104 -0.188 0.474 156 K N 5.191 125.315 120.400 -0.459 0.000 2.208 156 K HA 0.686 4.969 4.320 -0.331 -0.160 0.247 156 K C -1.210 175.133 176.600 -0.428 0.000 0.953 156 K CA -2.564 53.510 56.287 -0.355 0.000 0.837 156 K CB 2.620 34.977 32.500 -0.239 0.000 1.131 156 K HN -0.205 7.687 8.250 -0.598 0.000 0.431 157 c N -0.533 117.717 118.600 -0.582 0.000 2.707 157 c HA 0.981 5.499 4.570 -0.392 -0.183 0.313 157 c C -1.834 171.902 174.090 -0.590 0.000 1.209 157 c CA -0.772 55.171 56.329 -0.643 0.000 1.635 157 c CB 3.727 45.706 42.510 -0.885 0.000 2.206 157 c HN 0.768 8.587 8.230 -0.685 0.000 0.485 158 L N 0.060 121.141 121.223 -0.238 0.000 2.482 158 L HA 0.382 4.767 4.340 0.075 0.000 0.263 158 L C -2.501 174.432 176.870 0.105 0.000 0.957 158 L CA 0.068 54.910 54.840 0.003 0.000 0.836 158 L CB 4.488 46.569 42.059 0.035 0.000 1.324 158 L HN 0.783 8.907 8.230 -0.177 0.000 0.406 159 K N 5.633 126.159 120.400 0.210 0.000 2.213 159 K HA 0.844 5.439 4.320 0.122 -0.202 0.270 159 K C -1.054 175.669 176.600 0.205 0.000 1.002 159 K CA -1.409 54.984 56.287 0.177 0.000 0.868 159 K CB 1.339 33.951 32.500 0.187 0.000 1.093 159 K HN 0.343 8.753 8.250 0.267 0.000 0.454 160 A N 4.137 127.012 122.820 0.091 0.000 2.549 160 A HA 0.661 4.958 4.320 -0.037 0.000 0.297 160 A C -3.412 174.098 177.584 -0.123 0.000 1.061 160 A CA -2.610 49.407 52.037 -0.033 0.000 0.690 160 A CB 3.138 22.120 19.000 -0.030 0.000 1.287 160 A HN 1.011 9.082 8.150 0.044 0.105 0.402 161 P HA 0.790 5.368 4.420 -0.107 -0.222 0.282 161 P C -1.087 176.139 177.300 -0.123 0.000 1.259 161 P CA -1.462 61.545 63.100 -0.154 0.000 0.826 161 P CB 1.635 33.244 31.700 -0.152 0.000 1.064 162 I N -0.096 120.420 120.570 -0.090 0.000 2.441 162 I HA 0.025 4.360 4.170 0.069 -0.123 0.287 162 I C 0.154 176.255 176.117 -0.026 0.000 1.049 162 I CA 0.252 61.529 61.300 -0.039 0.000 1.381 162 I CB 0.359 38.253 38.000 -0.178 0.000 1.409 162 I HN 0.084 8.232 8.210 -0.104 0.000 0.523 163 L N 6.326 127.569 121.223 0.035 0.000 2.431 163 L HA 0.269 4.600 4.340 -0.016 0.000 0.260 163 L C 0.036 176.922 176.870 0.027 0.000 1.098 163 L CA -0.952 53.898 54.840 0.017 0.000 0.800 163 L CB 0.519 42.597 42.059 0.033 0.000 1.210 163 L HN 0.325 8.511 8.230 0.111 0.110 0.465 164 S N -1.628 114.081 115.700 0.016 0.000 2.614 164 S HA -0.073 4.403 4.470 0.009 0.000 0.265 164 S C 0.422 175.047 174.600 0.040 0.000 1.303 164 S CA -0.872 57.338 58.200 0.017 0.000 1.000 164 S CB 1.726 64.931 63.200 0.008 0.000 0.935 164 S HN -0.057 8.258 8.310 0.008 0.000 0.551 165 D N 1.055 121.480 120.400 0.041 0.000 2.178 165 D HA -0.213 4.475 4.640 0.079 0.000 0.201 165 D C 1.723 178.054 176.300 0.052 0.000 0.980 165 D CA 3.131 57.165 54.000 0.057 0.000 0.842 165 D CB -0.252 40.578 40.800 0.049 0.000 0.948 165 D HN 0.545 8.932 8.370 0.028 0.000 0.472 166 S N -1.178 114.543 115.700 0.036 0.000 2.368 166 S HA -0.295 4.195 4.470 0.034 0.000 0.224 166 S C 2.088 176.706 174.600 0.029 0.000 1.029 166 S CA 3.678 61.896 58.200 0.030 0.000 0.988 166 S CB -0.180 63.032 63.200 0.019 0.000 0.838 166 S HN 0.011 8.326 8.310 0.028 0.013 0.462 167 S N 3.184 118.899 115.700 0.025 0.000 2.383 167 S HA -0.252 4.222 4.470 0.006 0.000 0.227 167 S C 1.858 176.473 174.600 0.026 0.000 1.026 167 S CA 3.759 61.969 58.200 0.016 0.000 0.981 167 S CB -0.159 63.048 63.200 0.012 0.000 0.818 167 S HN -0.601 7.723 8.310 0.025 0.000 0.472 168 c N 3.218 121.853 118.600 0.058 0.000 2.432 168 c HA -0.302 4.331 4.570 0.104 0.000 0.277 168 c C 1.665 175.831 174.090 0.127 0.000 1.249 168 c CA 2.675 59.067 56.329 0.105 0.000 1.725 168 c CB -1.729 40.856 42.510 0.125 0.000 2.028 168 c HN -0.256 8.001 8.230 0.059 0.008 0.477 169 K N -0.990 119.472 120.400 0.103 0.000 2.148 169 K HA -0.307 4.106 4.320 0.155 0.000 0.204 169 K C 2.353 178.995 176.600 0.071 0.000 1.050 169 K CA 2.932 59.283 56.287 0.107 0.000 0.942 169 K CB -0.259 32.290 32.500 0.082 0.000 0.724 169 K HN 0.122 8.423 8.250 0.086 0.000 0.446 170 S N -1.997 113.724 115.700 0.034 0.000 2.428 170 S HA -0.181 4.298 4.470 0.014 0.000 0.230 170 S C 0.846 175.422 174.600 -0.040 0.000 1.014 170 S CA 2.298 60.500 58.200 0.004 0.000 0.957 170 S CB -0.131 63.067 63.200 -0.003 0.000 0.784 170 S HN -0.089 8.141 8.310 0.035 0.102 0.499 171 A N -0.538 122.231 122.820 -0.085 0.000 1.935 171 A HA -0.053 4.121 4.320 -0.244 0.000 0.214 171 A C -0.205 177.120 177.584 -0.432 0.000 1.178 171 A CA 1.800 53.659 52.037 -0.296 0.000 0.640 171 A CB 0.749 19.499 19.000 -0.418 0.000 0.825 171 A HN -0.882 7.101 8.150 -0.033 0.147 0.447 172 Y N -5.203 115.138 120.300 0.068 0.000 2.553 172 Y HA 0.463 5.088 4.550 0.125 0.000 0.369 172 Y C -2.430 173.533 175.900 0.104 0.000 0.964 172 Y CA -3.602 54.571 58.100 0.123 0.000 1.156 172 Y CB -0.410 38.176 38.460 0.210 0.000 1.218 172 Y HN -0.442 7.879 8.280 0.069 0.000 0.630 173 P HA -0.146 4.455 4.420 0.106 -0.117 0.262 173 P C 0.863 178.234 177.300 0.118 0.000 1.182 173 P CA 1.246 64.412 63.100 0.111 0.000 0.761 173 P CB -0.003 31.735 31.700 0.063 0.000 0.795 174 G N 3.901 112.761 108.800 0.100 0.000 2.168 174 G HA2 -0.364 3.633 3.960 0.061 0.000 0.263 174 G HA3 -0.364 3.630 3.960 0.057 0.000 0.263 174 G C 0.064 175.014 174.900 0.083 0.000 0.977 174 G CA 0.639 45.783 45.100 0.075 0.000 0.659 174 G HN 0.522 8.869 8.290 0.095 0.000 0.533 175 Q N -2.564 117.322 119.800 0.144 0.000 2.164 175 Q HA 0.097 4.465 4.340 0.047 0.000 0.226 175 Q C -0.810 175.316 176.000 0.210 0.000 0.813 175 Q CA -0.576 55.309 55.803 0.137 0.000 0.978 175 Q CB 1.507 30.343 28.738 0.164 0.000 1.149 175 Q HN -0.239 8.091 8.270 0.192 0.055 0.489 176 I N 0.195 120.885 120.570 0.199 0.000 2.336 176 I HA 0.085 4.395 4.170 0.233 0.000 0.292 176 I C -0.205 175.987 176.117 0.125 0.000 0.991 176 I CA -2.179 59.234 61.300 0.187 0.000 1.227 176 I CB -0.457 37.649 38.000 0.176 0.000 1.366 176 I HN -0.356 7.959 8.210 0.175 0.000 0.466 177 T N 2.358 116.981 114.554 0.116 0.000 2.910 177 T HA 0.347 4.736 4.350 0.064 0.000 0.279 177 T C 0.721 175.470 174.700 0.081 0.000 0.989 177 T CA -2.088 60.059 62.100 0.079 0.000 0.968 177 T CB 2.357 71.264 68.868 0.064 0.000 1.135 177 T HN -0.384 7.940 8.240 0.140 0.000 0.562 178 S N -2.445 113.288 115.700 0.056 0.000 2.555 178 S HA -0.200 4.308 4.470 0.063 0.000 0.230 178 S C -0.017 174.623 174.600 0.067 0.000 0.978 178 S CA 1.830 60.061 58.200 0.052 0.000 0.934 178 S CB -0.164 63.047 63.200 0.018 0.000 0.766 178 S HN 0.241 8.575 8.310 0.040 0.000 0.533 179 N N -0.041 118.711 118.700 0.086 0.000 2.279 179 N HA 0.121 4.930 4.740 0.116 0.000 0.226 179 N C -1.727 173.899 175.510 0.193 0.000 1.126 179 N CA -0.320 52.814 53.050 0.140 0.000 0.846 179 N CB 0.721 39.314 38.487 0.176 0.000 1.050 179 N HN -0.662 7.688 8.380 0.081 0.078 0.502 180 M N -1.309 118.392 119.600 0.168 0.000 2.593 180 M HA 0.908 5.677 4.480 0.095 -0.231 0.290 180 M C -2.409 174.009 176.300 0.196 0.000 1.244 180 M CA -0.444 54.934 55.300 0.129 0.000 0.857 180 M CB 5.276 37.928 32.600 0.087 0.000 1.738 180 M HN -0.741 7.547 8.290 0.150 0.092 0.461 181 F N -6.127 113.867 119.950 0.074 0.000 2.668 181 F HA 0.612 5.170 4.527 0.053 0.000 0.309 181 F C -2.792 173.063 175.800 0.091 0.000 1.117 181 F CA -1.624 56.417 58.000 0.069 0.000 0.951 181 F CB 2.327 41.364 39.000 0.060 0.000 1.323 181 F HN 0.141 8.319 8.300 -0.203 0.000 0.451 182 c N 0.015 118.780 118.600 0.273 0.000 2.391 182 c HA 1.006 5.828 4.570 0.080 -0.204 0.339 182 c C -1.021 173.256 174.090 0.311 0.000 1.205 182 c CA -0.946 55.494 56.329 0.185 0.000 1.937 182 c CB 2.711 45.300 42.510 0.130 0.000 2.341 182 c HN 0.888 9.311 8.230 0.321 0.000 0.516 183 A N 3.088 126.074 122.820 0.275 0.000 2.476 183 A HA 0.713 5.241 4.320 0.081 -0.159 0.280 183 A C -2.288 175.342 177.584 0.077 0.000 1.081 183 A CA -0.452 51.663 52.037 0.130 0.000 0.753 183 A CB 2.643 21.626 19.000 -0.028 0.000 1.248 183 A HN 0.460 8.805 8.150 0.326 0.000 0.424 184 Y N 2.656 122.988 120.300 0.054 0.000 2.350 184 Y HA 0.104 4.674 4.550 0.033 0.000 0.340 184 Y C 0.930 176.846 175.900 0.027 0.000 1.006 184 Y CA -0.301 57.821 58.100 0.036 0.000 1.166 184 Y CB 1.053 39.532 38.460 0.032 0.000 1.168 184 Y HN 0.271 8.688 8.280 0.229 0.000 0.502 185 L N 3.717 125.016 121.223 0.127 0.000 2.376 185 L HA -0.256 4.115 4.340 0.053 0.000 0.219 185 L C 1.036 177.950 176.870 0.073 0.000 1.133 185 L CA 2.004 56.886 54.840 0.070 0.000 0.816 185 L CB -0.377 41.703 42.059 0.034 0.000 0.933 185 L HN 0.538 8.831 8.230 0.105 0.000 0.449 186 E N -2.978 117.285 120.200 0.103 0.000 2.427 186 E HA -0.160 4.217 4.350 0.045 0.000 0.196 186 E C 0.216 176.849 176.600 0.055 0.000 1.028 186 E CA 0.263 56.703 56.400 0.065 0.000 0.864 186 E CB -0.214 29.521 29.700 0.057 0.000 0.813 186 E HN 0.090 8.501 8.360 0.155 0.042 0.514 187 G N 0.687 109.536 108.800 0.082 0.000 3.391 187 G HA2 -0.363 3.683 3.960 0.079 0.000 0.683 187 G HA3 -0.363 3.622 3.960 0.041 0.000 0.683 187 G C -0.794 174.127 174.900 0.034 0.000 1.071 187 G CA -0.267 44.870 45.100 0.061 0.000 0.904 187 G HN -0.635 7.573 8.290 0.128 0.159 0.452 188 K N 1.466 121.869 120.400 0.004 0.000 7.247 188 K HA -0.602 3.977 4.320 0.017 -0.249 0.645 188 K C -1.256 175.440 176.600 0.160 0.000 2.569 188 K CA 0.584 56.894 56.287 0.038 0.000 1.924 188 K CB -0.019 32.422 32.500 -0.098 0.000 1.930 188 K HN 0.234 8.511 8.250 0.045 0.000 0.292 189 D N -0.051 120.427 120.400 0.130 0.000 2.808 189 D HA 0.274 5.031 4.640 0.196 0.000 0.294 189 D C -1.937 174.430 176.300 0.112 0.000 1.278 189 D CA -0.482 53.606 54.000 0.146 0.000 0.756 189 D CB 4.168 45.037 40.800 0.114 0.000 1.271 189 D HN 0.087 8.510 8.370 0.088 0.000 0.425 190 S N -1.640 114.137 115.700 0.129 0.000 2.707 190 S HA 0.381 4.964 4.470 0.085 -0.062 0.276 190 S C -1.377 173.267 174.600 0.073 0.000 1.179 190 S CA -0.587 57.678 58.200 0.109 0.000 0.992 190 S CB 1.779 65.082 63.200 0.172 0.000 1.030 190 S HN 0.282 8.685 8.310 0.156 0.000 0.554 191 c N -1.265 117.380 118.600 0.075 0.000 3.293 191 c HA 0.322 4.931 4.570 0.064 0.000 0.362 191 c C -1.323 172.837 174.090 0.116 0.000 1.539 191 c CA -0.887 55.484 56.329 0.072 0.000 1.201 191 c CB 2.931 45.464 42.510 0.038 0.000 1.770 191 c HN 0.340 8.926 8.230 0.090 -0.303 0.440 192 Q N 1.620 121.499 119.800 0.132 0.000 2.286 192 Q HA -0.213 4.250 4.340 0.205 0.000 0.290 192 Q C 0.553 176.737 176.000 0.308 0.000 1.049 192 Q CA 1.349 57.278 55.803 0.210 0.000 0.923 192 Q CB -0.239 28.627 28.738 0.213 0.000 1.183 192 Q HN 0.513 8.843 8.270 0.101 0.000 0.383 193 G N 5.111 114.108 108.800 0.327 0.000 2.238 193 G HA2 -0.402 3.770 3.960 0.354 0.000 0.217 193 G HA3 -0.402 3.896 3.960 0.564 0.000 0.217 193 G C 0.280 175.416 174.900 0.393 0.000 0.996 193 G CA 0.890 46.243 45.100 0.422 0.000 0.632 193 G HN 0.832 9.289 8.290 0.278 0.000 0.503 194 D N 1.261 121.824 120.400 0.271 0.000 2.327 194 D HA 0.115 4.899 4.640 0.240 0.000 0.205 194 D C 0.206 176.609 176.300 0.171 0.000 0.989 194 D CA 0.968 55.094 54.000 0.210 0.000 0.873 194 D CB 0.789 41.676 40.800 0.146 0.000 0.955 194 D HN -0.047 8.370 8.370 0.241 0.097 0.515 195 S N -0.569 115.233 115.700 0.170 0.000 2.599 195 S HA -0.579 4.114 4.470 0.136 -0.142 0.303 195 S C 1.008 175.632 174.600 0.040 0.000 1.267 195 S CA 2.559 60.839 58.200 0.133 0.000 1.055 195 S CB 0.092 63.425 63.200 0.222 0.000 0.790 195 S HN -0.346 8.084 8.310 0.199 0.000 0.500 196 G N 4.314 113.118 108.800 0.007 0.000 2.241 196 G HA2 -0.446 3.566 3.960 -0.036 0.000 0.244 196 G HA3 -0.446 3.599 3.960 -0.046 -0.113 0.244 196 G C -0.127 174.808 174.900 0.057 0.000 0.998 196 G CA 0.108 45.200 45.100 -0.012 0.000 0.621 196 G HN 0.856 9.058 8.290 0.030 0.106 0.519 197 G N 1.053 109.910 108.800 0.095 0.000 2.621 197 G HA2 0.351 4.450 3.960 0.117 0.000 0.271 197 G HA3 0.351 4.379 3.960 0.115 0.000 0.271 197 G C -2.661 172.317 174.900 0.131 0.000 1.236 197 G CA -1.911 43.258 45.100 0.116 0.000 0.958 197 G HN -0.288 7.967 8.290 0.101 0.095 0.512 198 P HA 0.366 4.988 4.420 0.127 -0.126 0.284 198 P C -1.604 175.761 177.300 0.108 0.000 1.258 198 P CA -0.946 62.243 63.100 0.148 0.000 0.824 198 P CB 1.689 33.539 31.700 0.250 0.000 1.038 199 V N 1.970 121.929 119.914 0.074 0.000 2.419 199 V HA 0.307 4.598 4.120 -0.006 -0.174 0.287 199 V C -1.072 175.034 176.094 0.020 0.000 1.017 199 V CA -0.383 61.927 62.300 0.016 0.000 0.844 199 V CB 1.806 33.616 31.823 -0.021 0.000 1.011 199 V HN -0.264 7.975 8.190 0.081 0.000 0.429 200 V N 8.341 128.259 119.914 0.007 0.000 2.459 200 V HA 0.633 4.909 4.120 -0.064 -0.194 0.295 200 V C -1.397 174.679 176.094 -0.030 0.000 1.029 200 V CA -1.244 61.032 62.300 -0.039 0.000 0.874 200 V CB 2.968 34.749 31.823 -0.070 0.000 0.985 200 V HN 0.570 8.778 8.190 0.030 0.000 0.438 201 c N 7.313 125.882 118.600 -0.051 0.000 2.431 201 c HA 0.563 5.111 4.570 -0.036 0.000 0.321 201 c C 0.187 174.247 174.090 -0.050 0.000 1.202 201 c CA -1.185 55.113 56.329 -0.052 0.000 1.398 201 c CB 2.098 44.558 42.510 -0.084 0.000 2.047 201 c HN 0.698 8.890 8.230 -0.063 0.000 0.465 202 S N 5.325 121.004 115.700 -0.034 0.000 3.549 202 S HA -0.349 4.111 4.470 -0.018 0.000 0.366 202 S C 0.306 174.886 174.600 -0.033 0.000 1.012 202 S CA 1.041 59.223 58.200 -0.029 0.000 1.141 202 S CB -1.151 62.028 63.200 -0.035 0.000 0.910 202 S HN 1.130 9.424 8.310 -0.026 0.000 0.471 203 G N -5.317 103.462 108.800 -0.036 0.000 2.168 203 G HA2 -0.359 3.566 3.960 -0.059 0.000 0.257 203 G HA3 -0.359 3.580 3.960 -0.036 0.000 0.257 203 G C -0.768 174.080 174.900 -0.085 0.000 0.997 203 G CA 0.492 45.559 45.100 -0.054 0.000 0.708 203 G HN 0.307 8.567 8.290 -0.027 0.013 0.520 210 Q N 1.190 121.006 119.800 0.026 0.000 2.373 210 Q HA 0.179 4.549 4.340 0.050 0.000 0.210 210 Q C -0.146 176.005 176.000 0.251 0.000 0.913 210 Q CA 0.307 56.145 55.803 0.058 0.000 0.911 210 Q CB 2.556 31.245 28.738 -0.081 0.000 1.040 210 Q HN 0.344 8.619 8.270 0.009 0.000 0.521 211 G N -3.270 105.700 108.800 0.285 0.000 2.694 211 G HA2 0.653 5.111 3.960 0.424 0.000 0.290 211 G HA3 0.653 4.895 3.960 0.470 0.000 0.290 211 G C -3.219 171.800 174.900 0.199 0.000 1.386 211 G CA -0.850 44.470 45.100 0.366 0.000 0.872 211 G HN -0.306 8.087 8.290 0.173 0.000 0.475 212 I N -1.587 119.093 120.570 0.183 0.000 2.533 212 I HA 0.590 5.076 4.170 0.150 -0.226 0.290 212 I C -0.543 175.698 176.117 0.206 0.000 1.056 212 I CA -1.429 59.962 61.300 0.151 0.000 1.057 212 I CB 4.581 42.630 38.000 0.081 0.000 1.240 212 I HN -0.369 8.018 8.210 0.168 -0.076 0.423 213 V N 6.894 126.943 119.914 0.224 0.000 2.493 213 V HA -0.181 4.030 4.120 0.152 0.000 0.292 213 V C -1.149 174.958 176.094 0.022 0.000 1.016 213 V CA 2.083 64.477 62.300 0.155 0.000 1.097 213 V CB -0.951 30.981 31.823 0.182 0.000 0.947 213 V HN 0.383 8.686 8.190 0.189 0.000 0.479 214 S N 7.688 123.302 115.700 -0.144 0.000 3.393 214 S HA 0.318 4.945 4.470 0.262 0.000 0.209 214 S C -0.914 173.786 174.600 0.167 0.000 0.897 214 S CA 0.880 59.136 58.200 0.093 0.000 0.825 214 S CB 2.614 65.867 63.200 0.088 0.000 0.898 214 S HN -0.013 8.000 8.310 -0.496 0.000 0.615 215 W N -4.097 117.058 121.300 -0.242 0.000 3.018 215 W HA 0.279 4.847 4.660 -0.153 0.000 0.382 215 W C -2.788 173.566 176.519 -0.275 0.000 1.161 215 W CA -0.936 56.276 57.345 -0.222 0.000 1.144 215 W CB 0.772 30.099 29.460 -0.221 0.000 1.499 215 W HN -0.430 7.426 8.180 -0.539 0.000 0.596 216 G N -3.203 105.676 108.800 0.133 0.000 2.356 216 G HA2 0.090 3.794 3.960 -0.427 0.000 0.294 216 G HA3 0.090 3.984 3.960 -0.110 0.000 0.294 216 G C -2.299 172.735 174.900 0.225 0.000 1.423 216 G CA 0.250 45.316 45.100 -0.056 0.000 0.806 216 G HN -0.044 8.500 8.290 0.424 0.000 0.527 220 c N 1.869 120.505 118.600 0.059 0.000 3.370 220 c HA 0.326 5.086 4.570 0.058 -0.156 0.190 220 c C -1.420 172.700 174.090 0.050 0.000 1.647 220 c CA -1.067 55.293 56.329 0.053 0.000 1.277 220 c CB -1.418 41.115 42.510 0.039 0.000 2.037 220 c HN 0.307 8.568 8.230 0.052 0.000 0.537 221 Q N -2.104 117.729 119.800 0.055 0.000 2.939 221 Q HA 0.125 4.486 4.340 0.035 0.000 0.274 221 Q C -1.491 174.532 176.000 0.039 0.000 0.941 221 Q CA -0.994 54.835 55.803 0.043 0.000 0.824 221 Q CB 1.917 30.681 28.738 0.044 0.000 1.779 221 Q HN -0.067 8.242 8.270 0.064 0.000 0.470 222 K N 3.439 123.855 120.400 0.026 0.000 2.401 222 K HA -0.236 4.225 4.320 0.032 -0.122 0.278 222 K C 0.176 176.776 176.600 -0.001 0.000 1.018 222 K CA 0.655 56.953 56.287 0.020 0.000 0.981 222 K CB -0.019 32.489 32.500 0.014 0.000 0.933 222 K HN 0.250 8.514 8.250 0.023 0.000 0.477 223 N N 2.485 121.181 118.700 -0.007 0.000 2.732 223 N HA -0.468 4.249 4.740 -0.039 0.000 0.250 223 N C -1.594 173.845 175.510 -0.119 0.000 1.097 223 N CA 1.848 54.867 53.050 -0.051 0.000 0.812 223 N CB -0.432 38.020 38.487 -0.059 0.000 1.148 223 N HN 0.753 9.018 8.380 0.014 0.124 0.572 224 K N -2.179 118.180 120.400 -0.069 0.000 2.762 224 K HA 0.532 4.651 4.320 -0.334 0.000 0.180 224 K C -2.273 174.375 176.600 0.080 0.000 1.067 224 K CA -3.467 52.775 56.287 -0.074 0.000 0.973 224 K CB -0.375 32.141 32.500 0.027 0.000 1.290 224 K HN -0.775 7.405 8.250 -0.011 0.064 0.604 225 P HA -0.084 4.397 4.420 0.102 0.000 0.272 225 P C -0.443 176.907 177.300 0.082 0.000 1.254 225 P CA -0.315 62.850 63.100 0.110 0.000 0.795 225 P CB 1.066 32.819 31.700 0.089 0.000 1.022 226 G N -2.495 106.321 108.800 0.027 0.000 2.476 226 G HA2 0.359 4.108 3.960 -0.351 0.000 0.269 226 G HA3 0.359 4.190 3.960 -0.215 0.000 0.269 226 G C -1.861 172.726 174.900 -0.521 0.000 1.195 226 G CA -0.827 44.112 45.100 -0.269 0.000 0.843 226 G HN -0.383 7.982 8.290 0.125 0.000 0.545 227 V N 1.669 120.922 119.914 -1.101 0.000 2.555 227 V HA 0.688 4.583 4.120 -0.668 -0.176 0.302 227 V C -0.925 174.387 176.094 -1.303 0.000 1.038 227 V CA -1.087 60.535 62.300 -1.129 0.000 0.887 227 V CB 2.271 33.028 31.823 -1.778 0.000 0.991 227 V HN 0.239 7.731 8.190 -1.164 0.000 0.434 228 Y N 4.780 124.663 120.300 -0.695 0.000 2.536 228 Y HA 0.573 5.016 4.550 -0.396 -0.131 0.347 228 Y C 0.214 175.825 175.900 -0.482 0.000 1.000 228 Y CA -2.235 55.464 58.100 -0.668 0.000 1.051 228 Y CB 3.865 41.641 38.460 -1.140 0.000 1.259 228 Y HN 1.029 8.940 8.280 -0.615 0.000 0.468 229 T N 4.565 119.080 114.554 -0.065 0.000 2.832 229 T HA 0.092 4.660 4.350 0.093 -0.161 0.296 229 T C -0.711 174.122 174.700 0.222 0.000 0.968 229 T CA 1.110 63.255 62.100 0.075 0.000 1.107 229 T CB 0.532 69.427 68.868 0.044 0.000 0.916 229 T HN 0.527 8.760 8.240 -0.011 0.000 0.517 230 K N 8.443 129.056 120.400 0.355 0.000 2.171 230 K HA 0.036 4.768 4.320 0.687 0.000 0.274 230 K C 1.045 177.893 176.600 0.414 0.000 1.110 230 K CA -0.252 56.320 56.287 0.475 0.000 0.952 230 K CB -0.406 32.320 32.500 0.376 0.000 1.309 230 K HN 0.145 8.473 8.250 0.310 0.108 0.414 231 V N 6.412 126.548 119.914 0.369 0.000 2.392 231 V HA -0.521 3.878 4.120 0.466 0.000 0.249 231 V C 1.334 177.588 176.094 0.267 0.000 1.059 231 V CA 3.959 66.463 62.300 0.340 0.000 1.051 231 V CB -0.229 31.725 31.823 0.219 0.000 0.658 231 V HN 0.381 8.802 8.190 0.386 0.000 0.455 232 c N -3.640 115.054 118.600 0.156 0.000 2.401 232 c HA -0.233 4.380 4.570 0.073 0.000 0.286 232 c C 1.536 175.648 174.090 0.037 0.000 1.332 232 c CA 1.730 58.104 56.329 0.074 0.000 1.795 232 c CB -2.096 40.428 42.510 0.022 0.000 1.922 232 c HN 0.488 8.808 8.230 0.149 0.000 0.520 233 N N 0.726 119.425 118.700 -0.001 0.000 2.463 233 N HA -0.072 4.573 4.740 -0.159 0.000 0.181 233 N C 0.307 175.575 175.510 -0.404 0.000 1.078 233 N CA 1.117 54.024 53.050 -0.239 0.000 0.902 233 N CB -0.033 38.181 38.487 -0.455 0.000 0.970 233 N HN -0.451 7.924 8.380 0.088 0.058 0.451 234 Y N -4.510 115.857 120.300 0.112 0.000 2.557 234 Y HA 0.172 4.856 4.550 0.224 0.000 0.247 234 Y C 0.024 176.066 175.900 0.237 0.000 1.164 234 Y CA -0.664 57.560 58.100 0.208 0.000 1.218 234 Y CB 0.051 38.654 38.460 0.237 0.000 1.210 234 Y HN 0.003 8.230 8.280 0.218 0.183 0.529 235 V N 0.886 120.941 119.914 0.235 0.000 2.332 235 V HA -0.554 3.663 4.120 0.161 0.000 0.248 235 V C 1.414 177.580 176.094 0.120 0.000 1.055 235 V CA 4.918 67.310 62.300 0.154 0.000 1.038 235 V CB -0.573 31.300 31.823 0.084 0.000 0.651 235 V HN -0.684 7.606 8.190 0.165 0.000 0.450 236 S N -0.154 115.618 115.700 0.120 0.000 2.383 236 S HA -0.313 4.179 4.470 0.036 0.000 0.227 236 S C 1.770 176.440 174.600 0.117 0.000 1.026 236 S CA 3.159 61.409 58.200 0.085 0.000 0.981 236 S CB -0.434 62.813 63.200 0.078 0.000 0.818 236 S HN 0.109 8.490 8.310 0.117 0.000 0.472 237 W N 4.112 125.447 121.300 0.059 0.000 2.355 237 W HA -0.179 4.506 4.660 0.041 0.000 0.309 237 W C 1.624 178.158 176.519 0.025 0.000 1.206 237 W CA 2.993 60.384 57.345 0.077 0.000 1.284 237 W CB -0.014 29.577 29.460 0.219 0.000 1.145 237 W HN -0.418 7.977 8.180 0.372 0.008 0.502 238 I N -0.809 119.779 120.570 0.029 0.000 2.142 238 I HA -0.757 3.023 4.170 -0.650 0.000 0.240 238 I C 1.807 177.703 176.117 -0.368 0.000 1.078 238 I CA 4.521 65.652 61.300 -0.282 0.000 1.343 238 I CB -0.248 37.742 38.000 -0.017 0.000 1.046 238 I HN 0.438 8.852 8.210 0.339 0.000 0.405 239 K N -0.864 119.417 120.400 -0.198 0.000 2.032 239 K HA -0.438 3.740 4.320 -0.236 0.000 0.209 239 K C 2.796 179.250 176.600 -0.243 0.000 1.048 239 K CA 3.808 59.974 56.287 -0.202 0.000 0.927 239 K CB -0.367 32.072 32.500 -0.102 0.000 0.712 239 K HN -0.021 8.178 8.250 -0.085 0.000 0.441 240 Q N -2.027 117.639 119.800 -0.223 0.000 2.079 240 Q HA -0.285 3.961 4.340 -0.156 0.000 0.200 240 Q C 2.615 178.428 176.000 -0.312 0.000 0.974 240 Q CA 3.378 59.056 55.803 -0.208 0.000 0.840 240 Q CB 0.072 28.731 28.738 -0.131 0.000 0.898 240 Q HN 0.240 8.295 8.270 -0.179 0.108 0.430 241 T N 2.783 117.026 114.554 -0.518 0.000 2.708 241 T HA -0.299 3.804 4.350 -0.413 0.000 0.266 241 T C 2.316 176.695 174.700 -0.536 0.000 1.037 241 T CA 5.029 66.776 62.100 -0.588 0.000 1.146 241 T CB -0.210 68.037 68.868 -1.035 0.000 0.865 241 T HN 0.089 7.848 8.240 -0.622 0.108 0.435 242 I N 0.785 120.937 120.570 -0.696 0.000 2.226 242 I HA -0.455 2.988 4.170 -1.212 0.000 0.245 242 I C 1.816 177.720 176.117 -0.354 0.000 1.100 242 I CA 3.788 64.586 61.300 -0.837 0.000 1.374 242 I CB -0.422 37.005 38.000 -0.955 0.000 1.057 242 I HN 0.039 7.837 8.210 -0.687 0.000 0.413 243 A N -0.667 121.992 122.820 -0.268 0.000 2.019 243 A HA -0.215 4.047 4.320 -0.097 0.000 0.219 243 A C 1.297 178.833 177.584 -0.080 0.000 1.164 243 A CA 2.736 54.693 52.037 -0.133 0.000 0.644 243 A CB -0.495 18.434 19.000 -0.118 0.000 0.805 243 A HN -0.108 7.853 8.150 -0.315 0.000 0.449 244 S N -4.684 110.956 115.700 -0.099 0.000 2.557 244 S HA 0.090 4.546 4.470 -0.023 0.000 0.223 244 S C -0.880 173.726 174.600 0.010 0.000 0.969 244 S CA 0.611 58.786 58.200 -0.042 0.000 0.927 244 S CB 1.119 64.285 63.200 -0.057 0.000 0.806 244 S HN -0.365 7.714 8.310 -0.166 0.132 0.489 245 N N 0.000 118.734 118.700 0.057 0.000 1.763 245 N HA 0.000 4.816 4.740 0.126 0.000 0.220 245 N CA 0.000 53.163 53.050 0.188 0.000 0.885 245 N CB 0.000 38.673 38.487 0.310 0.000 1.341 245 N HN 0.000 8.222 8.380 0.018 0.169 0.667