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 1o33_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 4.183 4.170 0.022 0.000 0.288 16 I C 0.000 176.108 176.117 -0.015 0.000 1.063 16 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 16 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 17 V N 5.669 125.585 119.914 0.003 0.000 2.435 17 V HA 0.278 4.525 4.120 -0.017 -0.137 0.290 17 V C 0.607 176.702 176.094 0.001 0.000 1.030 17 V CA -1.619 60.679 62.300 -0.003 0.000 0.881 17 V CB 1.283 33.110 31.823 0.007 0.000 0.983 17 V HN 0.788 8.993 8.190 0.025 0.000 0.445 18 G N 6.470 115.265 108.800 -0.008 0.000 2.153 18 G HA2 -0.392 3.559 3.960 -0.015 0.000 0.252 18 G HA3 -0.392 3.705 3.960 -0.030 -0.155 0.252 18 G C -0.592 174.315 174.900 0.012 0.000 0.994 18 G CA 0.478 45.571 45.100 -0.012 0.000 0.698 18 G HN 0.771 9.054 8.290 -0.011 0.000 0.521 19 G N -0.927 107.878 108.800 0.009 0.000 2.606 19 G HA2 0.498 4.500 3.960 0.087 0.000 0.262 19 G HA3 0.498 4.489 3.960 -0.090 -0.084 0.262 19 G C -1.653 173.295 174.900 0.080 0.000 1.394 19 G CA -1.031 44.076 45.100 0.012 0.000 1.044 19 G HN -0.682 7.559 8.290 -0.010 0.043 0.553 20 Y N -6.199 114.081 120.300 -0.033 0.000 2.634 20 Y HA 0.394 4.926 4.550 -0.030 0.000 0.340 20 Y C -1.761 174.113 175.900 -0.044 0.000 1.058 20 Y CA -2.905 55.175 58.100 -0.033 0.000 1.081 20 Y CB 1.109 39.553 38.460 -0.028 0.000 1.295 20 Y HN 0.365 8.324 8.280 -0.534 0.000 0.487 21 T N 2.754 117.378 114.554 0.116 0.000 2.769 21 T HA 0.078 4.505 4.350 -0.080 -0.126 0.293 21 T C -0.067 174.666 174.700 0.055 0.000 0.931 21 T CA 1.347 63.457 62.100 0.016 0.000 1.139 21 T CB -0.231 68.667 68.868 0.051 0.000 0.881 21 T HN 0.120 8.480 8.240 0.200 0.000 0.532 22 c N 5.863 124.398 118.600 -0.108 0.000 2.413 22 c HA -0.158 4.425 4.570 0.022 0.000 0.276 22 c C 0.346 174.460 174.090 0.041 0.000 1.236 22 c CA 0.820 57.117 56.329 -0.053 0.000 1.735 22 c CB -0.070 42.336 42.510 -0.173 0.000 2.031 22 c HN 0.125 8.234 8.230 -0.202 0.000 0.474 23 G N -2.205 106.600 108.800 0.009 0.000 2.841 23 G HA2 -0.156 3.821 3.960 0.029 0.000 0.684 23 G HA3 -0.156 3.824 3.960 0.034 0.000 0.684 23 G C -1.982 172.920 174.900 0.004 0.000 1.273 23 G CA -0.835 44.279 45.100 0.023 0.000 0.811 23 G HN -0.371 7.907 8.290 -0.021 0.000 0.631 24 A N 3.804 126.634 122.820 0.015 0.000 2.566 24 A HA -0.230 4.337 4.320 0.026 -0.231 0.245 24 A C -0.181 177.409 177.584 0.009 0.000 1.056 24 A CA 1.096 53.145 52.037 0.020 0.000 0.757 24 A CB 0.054 19.072 19.000 0.030 0.000 0.979 24 A HN 0.325 8.488 8.150 0.022 0.000 0.508 25 N N -2.345 116.357 118.700 0.004 0.000 2.708 25 N HA -0.371 4.359 4.740 -0.017 0.000 0.249 25 N C 0.309 175.801 175.510 -0.029 0.000 1.097 25 N CA 1.575 54.619 53.050 -0.010 0.000 0.710 25 N CB -1.149 37.344 38.487 0.010 0.000 1.032 25 N HN 0.568 8.957 8.380 0.015 0.000 0.551 26 T N -3.830 110.697 114.554 -0.045 0.000 3.100 26 T HA 0.040 4.384 4.350 -0.010 0.000 0.253 26 T C -0.086 174.563 174.700 -0.085 0.000 1.118 26 T CA 1.882 63.962 62.100 -0.034 0.000 1.058 26 T CB 0.544 69.406 68.868 -0.009 0.000 0.953 26 T HN -0.527 7.656 8.240 -0.052 0.026 0.515 27 V N 2.394 122.195 119.914 -0.189 0.000 2.313 27 V HA 0.377 4.252 4.120 -0.408 0.000 0.262 27 V C -1.516 174.270 176.094 -0.513 0.000 1.011 27 V CA -3.355 58.677 62.300 -0.447 0.000 0.858 27 V CB 0.701 32.232 31.823 -0.486 0.000 1.104 27 V HN -0.532 7.497 8.190 -0.162 0.064 0.456 28 P HA 0.057 4.526 4.420 -0.079 -0.097 0.226 28 P C 0.115 177.379 177.300 -0.061 0.000 1.153 28 P CA 1.596 64.633 63.100 -0.104 0.000 0.777 28 P CB 0.147 31.859 31.700 0.020 0.000 0.794 29 Y N -5.861 114.465 120.300 0.043 0.000 2.466 29 Y HA 0.479 5.202 4.550 0.057 -0.139 0.272 29 Y C -0.616 175.321 175.900 0.062 0.000 1.169 29 Y CA -3.248 54.883 58.100 0.051 0.000 1.285 29 Y CB -1.381 37.105 38.460 0.043 0.000 1.078 29 Y HN -0.411 7.328 8.280 -0.813 0.053 0.523 30 Q N 2.744 122.403 119.800 -0.236 0.000 2.304 30 Q HA 0.204 4.716 4.340 0.069 -0.131 0.260 30 Q C -0.314 175.767 176.000 0.134 0.000 0.965 30 Q CA 0.071 55.846 55.803 -0.047 0.000 0.898 30 Q CB 1.105 29.713 28.738 -0.216 0.000 1.196 30 Q HN -0.653 7.251 8.270 -0.507 0.062 0.402 31 V N 1.372 121.404 119.914 0.196 0.000 3.074 31 V HA 0.833 5.180 4.120 0.184 -0.116 0.314 31 V C -1.991 174.245 176.094 0.237 0.000 1.117 31 V CA -2.885 59.523 62.300 0.181 0.000 1.014 31 V CB 3.868 35.744 31.823 0.089 0.000 1.057 31 V HN 0.263 8.565 8.190 0.186 0.000 0.438 32 S N 0.471 116.209 115.700 0.063 0.000 2.473 32 S HA 0.459 5.140 4.470 0.169 -0.110 0.307 32 S C -1.010 173.443 174.600 -0.244 0.000 1.094 32 S CA -1.992 56.176 58.200 -0.052 0.000 1.070 32 S CB 1.790 64.743 63.200 -0.411 0.000 1.019 32 S HN 0.127 8.433 8.310 -0.006 0.000 0.480 33 L N 7.058 127.994 121.223 -0.478 0.000 2.275 33 L HA 0.544 4.761 4.340 -0.421 -0.129 0.288 33 L C -1.463 174.881 176.870 -0.878 0.000 1.046 33 L CA -0.811 53.611 54.840 -0.697 0.000 0.805 33 L CB 0.818 42.267 42.059 -1.016 0.000 1.193 33 L HN 0.735 8.640 8.230 -0.541 0.000 0.426 38 G N 0.065 108.768 108.800 -0.162 0.000 2.179 38 G HA2 -0.293 3.656 3.960 -0.019 0.000 0.220 38 G HA3 -0.293 3.728 3.960 0.101 0.000 0.220 38 G C -1.514 173.464 174.900 0.129 0.000 0.990 38 G CA 0.367 45.475 45.100 0.013 0.000 0.646 38 G HN 0.283 8.815 8.290 -0.198 -0.361 0.517 39 Y N -7.104 113.172 120.300 -0.040 0.000 2.732 39 Y HA 0.209 4.719 4.550 -0.066 0.000 0.342 39 Y C -2.509 173.381 175.900 -0.016 0.000 1.203 39 Y CA -3.481 54.595 58.100 -0.041 0.000 1.092 39 Y CB 0.675 39.112 38.460 -0.038 0.000 1.345 39 Y HN -1.173 6.875 8.280 -0.415 -0.017 0.458 40 H N 2.335 121.335 119.070 -0.116 0.000 2.767 40 H HA -0.008 4.481 4.556 -0.396 -0.171 0.316 40 H C -0.695 174.591 175.328 -0.070 0.000 1.059 40 H CA 0.294 56.197 56.048 -0.242 0.000 1.461 40 H CB 0.260 29.869 29.762 -0.255 0.000 1.475 40 H HN 0.227 8.594 8.280 0.145 0.000 0.531 41 F N 1.209 120.730 119.950 -0.715 0.000 2.789 41 F HA 0.356 4.799 4.527 -0.138 0.000 0.320 41 F C -1.572 173.978 175.800 -0.416 0.000 1.079 41 F CA -0.407 57.366 58.000 -0.378 0.000 1.205 41 F CB 1.731 40.581 39.000 -0.250 0.000 1.046 41 F HN -0.161 7.374 8.300 -1.276 0.000 0.586 42 c N -1.713 116.223 118.600 -1.106 0.000 3.321 42 c HA 0.326 4.782 4.570 -0.189 0.000 0.329 42 c C -1.690 172.188 174.090 -0.353 0.000 1.394 42 c CA -0.172 55.854 56.329 -0.505 0.000 1.291 42 c CB 4.037 46.341 42.510 -0.344 0.000 1.606 42 c HN -0.823 6.410 8.230 -1.661 0.000 0.463 43 G N -0.986 107.805 108.800 -0.015 0.000 2.705 43 G HA2 0.822 5.069 3.960 0.233 0.000 0.299 43 G HA3 0.822 4.919 3.960 0.228 0.000 0.299 43 G C -2.526 172.400 174.900 0.043 0.000 1.315 43 G CA -1.670 43.517 45.100 0.145 0.000 1.045 43 G HN 0.776 9.071 8.290 0.007 0.000 0.517 44 G N -4.057 104.801 108.800 0.097 0.000 2.506 44 G HA2 0.519 4.814 3.960 0.075 0.000 0.292 44 G HA3 0.519 4.511 3.960 0.054 0.000 0.292 44 G C -2.919 172.065 174.900 0.141 0.000 1.425 44 G CA 0.329 45.480 45.100 0.084 0.000 0.788 44 G HN -0.600 7.782 8.290 0.153 0.000 0.490 45 S N -0.444 115.345 115.700 0.149 0.000 2.532 45 S HA 0.805 5.638 4.470 0.274 -0.198 0.299 45 S C -1.290 173.414 174.600 0.173 0.000 1.105 45 S CA -0.905 57.418 58.200 0.204 0.000 1.018 45 S CB 3.720 67.026 63.200 0.178 0.000 1.021 45 S HN 0.394 8.778 8.310 0.123 0.000 0.483 46 L N 6.385 127.726 121.223 0.197 0.000 2.313 46 L HA 0.158 4.701 4.340 0.147 -0.115 0.282 46 L C -0.724 176.230 176.870 0.140 0.000 1.092 46 L CA -0.106 54.831 54.840 0.161 0.000 0.831 46 L CB 0.886 43.040 42.059 0.159 0.000 1.159 46 L HN 0.381 8.766 8.230 0.260 0.000 0.442 47 I N 0.359 121.008 120.570 0.132 0.000 4.070 47 I HA 0.492 4.859 4.170 0.063 -0.159 0.328 47 I C -0.871 175.303 176.117 0.095 0.000 1.298 47 I CA -0.520 60.835 61.300 0.091 0.000 1.173 47 I CB 0.822 38.866 38.000 0.073 0.000 1.051 47 I HN 0.254 8.561 8.210 0.161 0.000 0.409 48 N N -2.449 116.331 118.700 0.134 0.000 3.179 48 N HA 0.181 4.976 4.740 0.092 0.000 0.250 48 N C -0.585 175.005 175.510 0.132 0.000 1.507 48 N CA -0.676 52.449 53.050 0.125 0.000 0.883 48 N CB 0.848 39.420 38.487 0.142 0.000 1.435 48 N HN -0.933 7.544 8.380 0.161 0.000 0.532 49 S N -3.502 112.263 115.700 0.108 0.000 2.547 49 S HA -0.300 4.213 4.470 0.072 0.000 0.235 49 S C 0.708 175.342 174.600 0.058 0.000 0.980 49 S CA 2.655 60.901 58.200 0.077 0.000 0.941 49 S CB -0.143 63.090 63.200 0.055 0.000 0.763 49 S HN 0.386 8.756 8.310 0.100 0.000 0.532 50 Q N -0.335 119.514 119.800 0.081 0.000 2.127 50 Q HA 0.354 4.639 4.340 -0.093 0.000 0.222 50 Q C -2.205 173.668 176.000 -0.211 0.000 0.794 50 Q CA -0.459 55.295 55.803 -0.082 0.000 1.010 50 Q CB 2.748 31.402 28.738 -0.140 0.000 1.170 50 Q HN 0.147 8.847 8.270 0.181 -0.321 0.479 51 W N -1.868 119.437 121.300 0.010 0.000 2.915 51 W HA 0.678 5.531 4.660 0.005 -0.190 0.337 51 W C -1.567 174.964 176.519 0.020 0.000 1.102 51 W CA -1.046 56.303 57.345 0.007 0.000 1.224 51 W CB 3.819 33.273 29.460 -0.009 0.000 1.416 51 W HN -0.201 8.273 8.180 0.258 -0.140 0.503 52 V N 1.497 121.567 119.914 0.261 0.000 2.769 52 V HA 0.782 5.183 4.120 0.169 -0.179 0.312 52 V C -1.451 174.757 176.094 0.189 0.000 1.061 52 V CA -1.755 60.651 62.300 0.177 0.000 0.931 52 V CB 3.707 35.589 31.823 0.098 0.000 1.010 52 V HN 0.848 9.199 8.190 0.269 0.000 0.433 53 V N 5.963 125.966 119.914 0.149 0.000 2.513 53 V HA 0.731 5.109 4.120 0.157 -0.163 0.299 53 V C -1.257 174.895 176.094 0.098 0.000 1.035 53 V CA -1.204 61.176 62.300 0.134 0.000 0.889 53 V CB 1.994 33.889 31.823 0.120 0.000 0.988 53 V HN 0.620 8.893 8.190 0.138 0.000 0.440 54 S N 4.418 120.163 115.700 0.075 0.000 2.973 54 S HA 0.563 5.262 4.470 0.034 -0.208 0.317 54 S C -2.032 172.559 174.600 -0.015 0.000 1.196 54 S CA -2.545 55.671 58.200 0.026 0.000 0.894 54 S CB 2.484 65.688 63.200 0.006 0.000 1.292 54 S HN 0.703 9.068 8.310 0.092 0.000 0.614 55 A N -0.654 122.113 122.820 -0.087 0.000 2.312 55 A HA 0.438 4.834 4.320 -0.114 -0.145 0.328 55 A C 0.614 178.071 177.584 -0.213 0.000 1.158 55 A CA -1.685 50.255 52.037 -0.163 0.000 0.821 55 A CB 1.659 20.494 19.000 -0.275 0.000 1.170 55 A HN 0.256 8.344 8.150 -0.104 0.000 0.490 56 A N 4.633 127.273 122.820 -0.300 0.000 1.978 56 A HA -0.263 3.899 4.320 -0.263 0.000 0.220 56 A C 1.388 178.737 177.584 -0.391 0.000 1.170 56 A CA 2.959 54.700 52.037 -0.495 0.000 0.636 56 A CB -0.428 17.852 19.000 -1.201 0.000 0.810 56 A HN 0.631 8.625 8.150 -0.282 -0.014 0.448 57 H N -5.092 113.823 119.070 -0.258 0.000 2.563 57 H HA -0.063 4.525 4.556 0.055 0.000 0.272 57 H C 0.184 175.561 175.328 0.081 0.000 1.005 57 H CA 1.330 57.383 56.048 0.009 0.000 1.171 57 H CB -1.181 28.656 29.762 0.125 0.000 1.351 57 H HN -0.001 8.447 8.280 -0.200 -0.288 0.602 58 c N -1.718 116.809 118.600 -0.121 0.000 2.697 58 c HA 0.028 4.675 4.570 0.130 0.000 0.267 58 c C 0.347 174.511 174.090 0.123 0.000 1.278 58 c CA 0.094 56.449 56.329 0.045 0.000 1.708 58 c CB -1.494 41.015 42.510 -0.002 0.000 1.860 58 c HN -0.226 7.691 8.230 -0.211 0.186 0.589 59 Y N 3.111 123.409 120.300 -0.003 0.000 2.717 59 Y HA -0.271 4.294 4.550 0.024 0.000 0.330 59 Y C -1.126 174.750 175.900 -0.039 0.000 1.217 59 Y CA 2.049 60.148 58.100 -0.002 0.000 1.506 59 Y CB 0.605 39.053 38.460 -0.019 0.000 1.268 59 Y HN -0.567 7.628 8.280 0.156 0.178 0.561 60 K N 6.294 125.961 120.400 -1.223 0.000 2.658 60 K HA 0.200 4.068 4.320 -0.754 0.000 0.293 60 K C -2.251 173.852 176.600 -0.829 0.000 1.026 60 K CA -1.006 54.757 56.287 -0.874 0.000 0.871 60 K CB 2.527 34.669 32.500 -0.598 0.000 1.524 60 K HN -0.146 7.343 8.250 -1.269 0.000 0.400 61 S N -0.550 114.873 115.700 -0.461 0.000 2.722 61 S HA 0.144 4.452 4.470 -0.270 0.000 0.292 61 S C 0.800 175.277 174.600 -0.205 0.000 1.135 61 S CA -0.420 57.622 58.200 -0.263 0.000 1.003 61 S CB 1.323 64.454 63.200 -0.116 0.000 1.067 61 S HN -0.170 7.929 8.310 -0.351 0.000 0.546 62 G N -0.182 108.538 108.800 -0.134 0.000 2.182 62 G HA2 -0.238 3.672 3.960 -0.083 0.000 0.248 62 G HA3 -0.238 3.652 3.960 -0.116 0.000 0.248 62 G C -1.436 173.400 174.900 -0.105 0.000 1.042 62 G CA 0.117 45.151 45.100 -0.109 0.000 0.775 62 G HN 0.313 8.539 8.290 -0.107 0.000 0.501 63 I N -0.814 119.703 120.570 -0.088 0.000 2.365 63 I HA 0.053 4.348 4.170 0.010 -0.119 0.291 63 I C -1.557 174.518 176.117 -0.070 0.000 1.004 63 I CA -0.521 60.756 61.300 -0.038 0.000 1.311 63 I CB 0.482 38.480 38.000 -0.004 0.000 1.401 63 I HN -0.439 7.713 8.210 -0.097 0.000 0.491 64 Q N 7.544 127.283 119.800 -0.102 0.000 3.018 64 Q HA 0.476 4.758 4.340 -0.097 0.000 0.209 64 Q C -1.619 174.278 176.000 -0.171 0.000 1.036 64 Q CA -1.855 53.868 55.803 -0.134 0.000 0.886 64 Q CB 4.193 32.818 28.738 -0.187 0.000 2.058 64 Q HN 0.515 8.725 8.270 -0.100 0.000 0.452 65 R N -2.685 117.736 120.500 -0.130 0.000 2.937 65 R HA 0.436 5.005 4.340 0.094 -0.173 0.273 65 R C -1.370 174.955 176.300 0.041 0.000 1.176 65 R CA -0.005 56.059 56.100 -0.059 0.000 1.132 65 R CB 2.484 32.605 30.300 -0.298 0.000 1.270 65 R HN 0.565 8.740 8.270 -0.159 0.000 0.425 70 E N -0.307 119.988 120.200 0.158 0.000 2.318 70 E HA 0.094 4.520 4.350 0.127 0.000 0.265 70 E C -1.828 174.948 176.600 0.294 0.000 1.069 70 E CA 0.375 56.882 56.400 0.178 0.000 0.893 70 E CB 1.421 31.161 29.700 0.066 0.000 1.076 70 E HN -0.611 7.819 8.360 0.178 0.036 0.414 71 D N 0.618 121.173 120.400 0.258 0.000 2.912 71 D HA 0.044 4.893 4.640 0.349 0.000 0.170 71 D C -1.061 175.429 176.300 0.316 0.000 1.484 71 D CA 1.020 55.185 54.000 0.276 0.000 1.542 71 D CB 2.428 43.309 40.800 0.135 0.000 1.344 71 D HN 0.083 8.556 8.370 0.171 0.000 0.222 72 N N 1.354 120.153 118.700 0.164 0.000 2.401 72 N HA 0.153 5.125 4.740 0.166 -0.132 0.255 72 N C 2.144 177.660 175.510 0.011 0.000 1.110 72 N CA -0.432 52.685 53.050 0.113 0.000 0.949 72 N CB 0.344 38.874 38.487 0.072 0.000 1.110 72 N HN -0.495 8.237 8.380 0.122 -0.278 0.490 73 I N 0.321 120.810 120.570 -0.135 0.000 3.334 73 I HA -0.094 4.072 4.170 -0.265 -0.155 0.282 73 I C -0.376 175.657 176.117 -0.140 0.000 1.313 73 I CA 1.388 62.511 61.300 -0.296 0.000 1.396 73 I CB -0.716 36.858 38.000 -0.709 0.000 1.054 73 I HN 0.243 8.384 8.210 -0.116 0.000 0.495 74 N N -2.239 116.426 118.700 -0.059 0.000 2.205 74 N HA 0.134 4.858 4.740 -0.026 0.000 0.201 74 N C -0.910 174.607 175.510 0.012 0.000 1.128 74 N CA 0.084 53.123 53.050 -0.018 0.000 0.867 74 N CB 2.142 40.628 38.487 -0.002 0.000 0.996 74 N HN -0.034 8.608 8.380 -0.037 -0.284 0.503 75 V N 0.480 120.406 119.914 0.020 0.000 2.588 75 V HA 0.050 4.187 4.120 0.027 0.000 0.304 75 V C -1.376 174.739 176.094 0.035 0.000 1.042 75 V CA -1.076 61.241 62.300 0.029 0.000 0.877 75 V CB 3.054 34.893 31.823 0.026 0.000 0.996 75 V HN -0.808 7.433 8.190 0.012 -0.044 0.425 76 V N 7.808 127.739 119.914 0.027 0.000 2.387 76 V HA -0.182 4.166 4.120 0.014 -0.219 0.260 76 V C 0.163 176.252 176.094 -0.009 0.000 1.054 76 V CA 0.728 63.029 62.300 0.001 0.000 0.967 76 V CB -0.290 31.511 31.823 -0.037 0.000 1.036 76 V HN 0.326 8.530 8.190 0.023 0.000 0.481 77 E N 8.071 128.269 120.200 -0.003 0.000 2.489 77 E HA 0.126 4.476 4.350 -0.000 0.000 0.204 77 E C -0.141 176.452 176.600 -0.012 0.000 1.006 77 E CA -0.398 56.003 56.400 0.000 0.000 0.936 77 E CB 0.682 30.393 29.700 0.018 0.000 1.002 77 E HN 0.320 9.112 8.360 0.004 -0.429 0.488 78 G N 0.124 108.907 108.800 -0.029 0.000 2.576 78 G HA2 -0.222 3.703 3.960 -0.059 0.000 0.686 78 G HA3 -0.222 3.723 3.960 -0.026 0.000 0.686 78 G C -1.720 173.163 174.900 -0.027 0.000 1.242 78 G CA -0.707 44.371 45.100 -0.037 0.000 0.819 78 G HN -0.420 8.127 8.290 -0.040 -0.282 0.655 79 N N -3.628 115.052 118.700 -0.034 0.000 2.962 79 N HA -0.277 4.452 4.740 -0.018 0.000 0.206 79 N C -0.833 174.665 175.510 -0.020 0.000 0.907 79 N CA 1.339 54.379 53.050 -0.017 0.000 1.029 79 N CB -0.331 38.160 38.487 0.007 0.000 1.009 79 N HN 0.165 8.516 8.380 -0.048 0.000 0.587 80 E N -0.898 119.271 120.200 -0.052 0.000 2.383 80 E HA 0.082 4.689 4.350 0.044 -0.231 0.264 80 E C -0.149 176.383 176.600 -0.114 0.000 1.050 80 E CA 0.854 57.223 56.400 -0.051 0.000 0.896 80 E CB 0.432 30.047 29.700 -0.142 0.000 0.982 80 E HN -0.186 8.033 8.360 -0.071 0.098 0.424 81 Q N 1.491 121.297 119.800 0.010 0.000 2.274 81 Q HA 0.268 4.558 4.340 -0.083 0.000 0.268 81 Q C -1.519 174.634 176.000 0.255 0.000 1.015 81 Q CA -1.161 54.655 55.803 0.022 0.000 0.775 81 Q CB 3.036 31.797 28.738 0.038 0.000 1.256 81 Q HN 0.183 8.531 8.270 0.130 0.000 0.442 82 F N 3.653 123.581 119.950 -0.036 0.000 2.388 82 F HA 0.432 5.099 4.527 -0.054 -0.172 0.358 82 F C -0.198 175.576 175.800 -0.045 0.000 1.122 82 F CA -2.921 55.050 58.000 -0.047 0.000 1.056 82 F CB 0.915 39.886 39.000 -0.049 0.000 1.155 82 F HN 0.381 8.730 8.300 0.082 0.000 0.461 83 I N 4.225 124.862 120.570 0.112 0.000 2.582 83 I HA 0.242 4.437 4.170 0.042 0.000 0.292 83 I C -1.222 174.888 176.117 -0.011 0.000 1.066 83 I CA -1.378 59.943 61.300 0.036 0.000 1.053 83 I CB 3.993 42.001 38.000 0.012 0.000 1.241 83 I HN 0.760 9.018 8.210 0.080 0.000 0.421 84 S N 5.667 121.354 115.700 -0.022 0.000 2.592 84 S HA 0.050 4.487 4.470 -0.054 0.000 0.271 84 S C -0.434 174.128 174.600 -0.064 0.000 1.326 84 S CA 0.781 58.953 58.200 -0.045 0.000 1.024 84 S CB 0.927 64.103 63.200 -0.039 0.000 0.921 84 S HN 0.437 8.740 8.310 -0.011 0.000 0.527 85 A N 3.133 125.911 122.820 -0.070 0.000 2.363 85 A HA 0.147 4.505 4.320 -0.106 -0.102 0.270 85 A C -0.252 177.281 177.584 -0.084 0.000 1.121 85 A CA -0.216 51.771 52.037 -0.084 0.000 0.800 85 A CB 0.535 19.498 19.000 -0.062 0.000 1.052 85 A HN -0.104 8.006 8.150 -0.065 0.000 0.493 86 S N 3.526 119.156 115.700 -0.117 0.000 2.441 86 S HA 0.043 4.471 4.470 -0.070 0.000 0.224 86 S C 0.384 174.941 174.600 -0.070 0.000 1.043 86 S CA 1.407 59.549 58.200 -0.096 0.000 0.948 86 S CB 0.925 64.047 63.200 -0.129 0.000 0.810 86 S HN 0.741 8.841 8.310 -0.166 0.110 0.504 87 K N -0.306 120.044 120.400 -0.083 0.000 2.587 87 K HA 0.262 4.598 4.320 0.027 0.000 0.276 87 K C -2.395 174.224 176.600 0.032 0.000 0.956 87 K CA -0.363 55.920 56.287 -0.006 0.000 0.857 87 K CB 3.282 35.785 32.500 0.006 0.000 1.431 87 K HN -0.775 7.390 8.250 -0.141 0.000 0.420 88 S N 1.202 116.979 115.700 0.128 0.000 2.502 88 S HA 0.747 5.486 4.470 0.163 -0.171 0.304 88 S C -0.810 173.914 174.600 0.207 0.000 1.097 88 S CA -0.495 57.823 58.200 0.197 0.000 1.045 88 S CB 2.617 65.999 63.200 0.304 0.000 1.019 88 S HN 0.167 8.570 8.310 0.154 0.000 0.481 89 I N 7.188 127.890 120.570 0.220 0.000 2.405 89 I HA 0.116 4.374 4.170 0.148 0.000 0.280 89 I C -1.496 174.762 176.117 0.234 0.000 1.027 89 I CA -0.835 60.589 61.300 0.206 0.000 1.161 89 I CB 1.384 39.520 38.000 0.226 0.000 1.300 89 I HN 1.035 9.284 8.210 0.247 0.110 0.463 90 V N 7.953 127.939 119.914 0.120 0.000 2.686 90 V HA -0.170 3.994 4.120 0.074 0.000 0.295 90 V C -0.229 175.948 176.094 0.138 0.000 1.055 90 V CA -0.424 61.914 62.300 0.064 0.000 1.050 90 V CB 0.863 32.628 31.823 -0.098 0.000 0.984 90 V HN 0.366 8.582 8.190 0.042 0.000 0.482 91 H N 8.759 127.812 119.070 -0.028 0.000 3.034 91 H HA -0.037 4.360 4.556 -0.266 0.000 0.324 91 H C -0.415 174.884 175.328 -0.049 0.000 1.015 91 H CA 0.449 56.357 56.048 -0.234 0.000 1.429 91 H CB 1.493 30.948 29.762 -0.511 0.000 1.429 91 H HN -0.240 8.081 8.280 0.068 0.000 0.585 92 P HA -0.102 4.333 4.420 0.025 0.000 0.218 92 P C -0.351 177.005 177.300 0.094 0.000 1.148 92 P CA 1.501 64.587 63.100 -0.024 0.000 0.822 92 P CB 0.347 32.008 31.700 -0.065 0.000 0.784 93 S N -3.703 112.157 115.700 0.266 0.000 2.614 93 S HA 0.022 4.551 4.470 0.099 0.000 0.230 93 S C -0.530 174.169 174.600 0.164 0.000 0.952 93 S CA 0.083 58.403 58.200 0.200 0.000 0.949 93 S CB 0.376 63.687 63.200 0.186 0.000 0.786 93 S HN -0.424 8.153 8.310 0.493 0.028 0.478 94 Y N 3.643 123.987 120.300 0.072 0.000 2.620 94 Y HA -0.317 4.387 4.550 -0.057 -0.189 0.330 94 Y C -0.886 175.003 175.900 -0.018 0.000 1.186 94 Y CA 0.782 58.877 58.100 -0.009 0.000 1.467 94 Y CB 0.753 39.215 38.460 0.004 0.000 1.262 94 Y HN -0.742 7.572 8.280 0.343 0.172 0.550 95 N N 7.548 125.891 118.700 -0.596 0.000 2.476 95 N HA 0.201 4.669 4.740 -0.453 0.000 0.257 95 N C -0.215 174.771 175.510 -0.873 0.000 0.970 95 N CA -1.298 51.418 53.050 -0.557 0.000 0.938 95 N CB 1.687 40.006 38.487 -0.280 0.000 1.144 95 N HN -0.182 7.961 8.380 -0.396 0.000 0.500 96 S N 6.613 121.802 115.700 -0.852 0.000 2.515 96 S HA -0.079 3.990 4.470 -0.669 0.000 0.231 96 S C 0.687 175.101 174.600 -0.310 0.000 0.987 96 S CA 2.317 60.177 58.200 -0.566 0.000 0.936 96 S CB -0.190 62.859 63.200 -0.251 0.000 0.766 96 S HN 0.630 8.543 8.310 -0.661 0.000 0.528 97 N N 2.047 120.573 118.700 -0.291 0.000 2.387 97 N HA 0.066 4.682 4.740 -0.207 0.000 0.176 97 N C 1.044 176.391 175.510 -0.272 0.000 1.022 97 N CA 2.210 55.123 53.050 -0.229 0.000 0.883 97 N CB 0.712 39.094 38.487 -0.176 0.000 1.019 97 N HN 0.319 8.769 8.380 -0.318 -0.261 0.435 98 T N -3.780 110.609 114.554 -0.274 0.000 3.022 98 T HA 0.063 4.210 4.350 -0.338 0.000 0.250 98 T C 0.199 174.707 174.700 -0.321 0.000 1.060 98 T CA 0.354 62.282 62.100 -0.287 0.000 1.013 98 T CB 1.563 70.319 68.868 -0.187 0.000 0.982 98 T HN -0.422 7.927 8.240 -0.270 -0.271 0.508 99 L N -3.304 117.762 121.223 -0.263 0.000 4.089 99 L HA -0.513 3.925 4.340 0.028 -0.081 0.408 99 L C -1.867 175.027 176.870 0.041 0.000 1.184 99 L CA 0.405 55.199 54.840 -0.078 0.000 0.947 99 L CB -2.561 39.402 42.059 -0.161 0.000 2.066 99 L HN -0.202 7.798 8.230 -0.302 0.049 0.851 100 N N -1.133 117.548 118.700 -0.033 0.000 2.518 100 N HA -0.167 4.618 4.740 0.075 0.000 0.266 100 N C 0.055 175.605 175.510 0.067 0.000 1.196 100 N CA 0.684 53.751 53.050 0.028 0.000 0.947 100 N CB 1.211 39.688 38.487 -0.017 0.000 1.098 100 N HN -0.694 7.567 8.380 -0.127 0.042 0.450 101 N N -1.045 117.686 118.700 0.052 0.000 2.756 101 N HA -0.470 4.173 4.740 -0.162 0.000 0.248 101 N C -1.512 173.965 175.510 -0.055 0.000 1.062 101 N CA 1.357 54.331 53.050 -0.127 0.000 0.696 101 N CB -1.566 36.727 38.487 -0.323 0.000 0.946 101 N HN 0.628 9.065 8.380 0.095 0.000 0.548 102 D N -1.110 119.305 120.400 0.024 0.000 2.551 102 D HA 0.048 4.672 4.640 -0.027 0.000 0.223 102 D C -1.648 174.555 176.300 -0.162 0.000 1.144 102 D CA -0.341 53.668 54.000 0.015 0.000 1.025 102 D CB -0.670 40.243 40.800 0.187 0.000 1.085 102 D HN -0.130 8.269 8.370 0.049 0.000 0.506 103 I N 2.439 122.854 120.570 -0.258 0.000 2.827 103 I HA 0.549 4.805 4.170 -0.128 -0.163 0.298 103 I C -3.123 172.959 176.117 -0.059 0.000 1.235 103 I CA -1.399 59.784 61.300 -0.195 0.000 1.021 103 I CB 4.133 41.899 38.000 -0.389 0.000 1.259 103 I HN -0.198 7.813 8.210 -0.273 0.035 0.427 104 M N 6.314 125.948 119.600 0.055 0.000 2.470 104 M HA 0.698 5.488 4.480 0.242 -0.165 0.285 104 M C -2.811 173.619 176.300 0.215 0.000 1.213 104 M CA -1.082 54.312 55.300 0.156 0.000 0.901 104 M CB 4.849 37.495 32.600 0.076 0.000 1.718 104 M HN 0.472 8.788 8.290 0.043 0.000 0.469 105 L N 2.924 124.310 121.223 0.273 0.000 2.334 105 L HA 0.853 5.515 4.340 0.261 -0.165 0.276 105 L C -1.320 175.739 176.870 0.314 0.000 1.014 105 L CA -1.476 53.541 54.840 0.296 0.000 0.815 105 L CB 3.386 45.597 42.059 0.253 0.000 1.268 105 L HN 0.399 8.812 8.230 0.305 0.000 0.428 106 I N 0.828 121.566 120.570 0.279 0.000 2.465 106 I HA 0.561 4.951 4.170 0.088 -0.166 0.291 106 I C -1.657 174.394 176.117 -0.111 0.000 1.014 106 I CA -1.373 59.984 61.300 0.095 0.000 1.093 106 I CB 3.165 41.192 38.000 0.046 0.000 1.267 106 I HN 0.927 9.325 8.210 0.314 0.000 0.431 107 K N 6.457 126.595 120.400 -0.437 0.000 2.159 107 K HA 0.658 4.284 4.320 -1.411 -0.153 0.266 107 K C -1.169 175.129 176.600 -0.503 0.000 0.975 107 K CA -1.933 53.745 56.287 -1.015 0.000 0.865 107 K CB 3.155 34.889 32.500 -1.277 0.000 1.087 107 K HN 0.699 8.785 8.250 -0.274 0.000 0.446 108 L N 4.380 125.342 121.223 -0.435 0.000 2.375 108 L HA 0.229 4.572 4.340 -0.178 -0.110 0.271 108 L C 1.836 178.586 176.870 -0.200 0.000 1.107 108 L CA -0.146 54.557 54.840 -0.229 0.000 0.806 108 L CB 0.416 42.385 42.059 -0.151 0.000 1.146 108 L HN 0.821 8.610 8.230 -0.556 0.107 0.447 109 K N 3.488 123.810 120.400 -0.129 0.000 2.057 109 K HA -0.324 3.933 4.320 -0.106 0.000 0.207 109 K C -0.566 175.985 176.600 -0.081 0.000 1.049 109 K CA 2.672 58.902 56.287 -0.095 0.000 0.931 109 K CB 0.390 32.852 32.500 -0.063 0.000 0.714 109 K HN 0.482 8.667 8.250 -0.108 0.000 0.440 110 S N -3.892 111.768 115.700 -0.068 0.000 2.599 110 S HA 0.130 4.571 4.470 -0.049 0.000 0.294 110 S C -1.745 172.826 174.600 -0.048 0.000 1.094 110 S CA -1.095 57.076 58.200 -0.049 0.000 0.931 110 S CB 2.942 66.125 63.200 -0.028 0.000 1.093 110 S HN -0.296 7.975 8.310 -0.065 0.000 0.488 111 A N -0.480 122.321 122.820 -0.032 0.000 2.351 111 A HA 0.136 4.564 4.320 -0.032 -0.127 0.257 111 A C -0.496 177.085 177.584 -0.005 0.000 1.087 111 A CA -0.280 51.746 52.037 -0.018 0.000 0.798 111 A CB 0.659 19.658 19.000 -0.001 0.000 1.033 111 A HN 0.206 8.341 8.150 -0.025 0.000 0.488 112 A N 0.135 122.960 122.820 0.008 0.000 2.286 112 A HA 0.231 4.625 4.320 0.012 -0.067 0.286 112 A C -0.511 177.085 177.584 0.020 0.000 1.097 112 A CA -1.447 50.600 52.037 0.017 0.000 0.821 112 A CB 1.486 20.505 19.000 0.031 0.000 1.076 112 A HN 0.379 8.427 8.150 0.011 0.109 0.490 113 S N 0.670 116.381 115.700 0.017 0.000 2.416 113 S HA 0.052 4.531 4.470 0.016 0.000 0.287 113 S C -0.473 174.142 174.600 0.024 0.000 1.139 113 S CA -0.346 57.864 58.200 0.016 0.000 1.058 113 S CB 0.255 63.459 63.200 0.007 0.000 0.967 113 S HN 0.078 8.749 8.310 0.015 -0.351 0.495 114 L N 6.264 127.505 121.223 0.029 0.000 2.350 114 L HA 0.137 4.606 4.340 0.042 -0.104 0.275 114 L C -0.429 176.459 176.870 0.031 0.000 1.099 114 L CA -0.170 54.692 54.840 0.037 0.000 0.808 114 L CB 0.525 42.610 42.059 0.043 0.000 1.149 114 L HN 0.193 8.440 8.230 0.027 0.000 0.442 115 N N 3.289 122.008 118.700 0.033 0.000 3.633 115 N HA 0.216 4.970 4.740 0.024 0.000 0.344 115 N C -1.313 174.216 175.510 0.032 0.000 1.627 115 N CA -0.655 52.411 53.050 0.027 0.000 0.754 115 N CB 0.664 39.163 38.487 0.020 0.000 2.450 115 N HN 0.315 8.719 8.380 0.039 0.000 0.592 116 S N -2.972 112.745 115.700 0.027 0.000 2.470 116 S HA -0.090 4.402 4.470 0.037 0.000 0.225 116 S C 0.733 175.351 174.600 0.031 0.000 1.006 116 S CA 1.912 60.130 58.200 0.031 0.000 0.934 116 S CB 0.245 63.459 63.200 0.024 0.000 0.778 116 S HN 0.023 8.346 8.310 0.022 0.000 0.517 117 R N -0.821 119.695 120.500 0.027 0.000 2.210 117 R HA 0.075 4.427 4.340 0.019 0.000 0.203 117 R C -1.101 175.217 176.300 0.030 0.000 1.010 117 R CA 0.392 56.506 56.100 0.024 0.000 1.008 117 R CB 0.777 31.089 30.300 0.020 0.000 0.923 117 R HN -0.094 8.409 8.270 0.024 -0.218 0.469 118 V N -1.925 118.013 119.914 0.040 0.000 2.443 118 V HA 0.263 4.608 4.120 0.054 -0.192 0.293 118 V C -2.121 174.014 176.094 0.068 0.000 1.021 118 V CA -1.096 61.236 62.300 0.054 0.000 0.848 118 V CB 2.602 34.455 31.823 0.049 0.000 0.998 118 V HN -0.322 8.118 8.190 0.038 -0.227 0.424 119 A N 6.527 129.405 122.820 0.097 0.000 2.587 119 A HA 0.466 4.839 4.320 0.088 0.000 0.293 119 A C -2.731 174.946 177.584 0.155 0.000 1.087 119 A CA -1.023 51.081 52.037 0.113 0.000 0.692 119 A CB 3.343 22.412 19.000 0.115 0.000 1.291 119 A HN 0.192 8.292 8.150 0.108 0.115 0.407 120 S N -1.392 114.382 115.700 0.123 0.000 2.693 120 S HA 0.571 5.272 4.470 0.160 -0.135 0.276 120 S C -0.544 174.103 174.600 0.079 0.000 1.192 120 S CA -1.276 56.996 58.200 0.120 0.000 0.994 120 S CB 1.707 64.958 63.200 0.085 0.000 1.012 120 S HN -0.006 8.361 8.310 0.095 0.000 0.550 121 I N 0.465 121.035 120.570 0.001 0.000 2.562 121 I HA 0.222 4.309 4.170 -0.139 0.000 0.301 121 I C -1.093 174.969 176.117 -0.090 0.000 1.003 121 I CA -1.607 59.596 61.300 -0.162 0.000 1.127 121 I CB 4.039 41.723 38.000 -0.527 0.000 1.304 121 I HN 0.253 8.481 8.210 0.030 0.000 0.446 122 S N 6.283 121.929 115.700 -0.090 0.000 2.584 122 S HA 0.210 4.662 4.470 -0.029 0.000 0.273 122 S C -0.615 173.957 174.600 -0.047 0.000 1.311 122 S CA -0.144 58.026 58.200 -0.050 0.000 1.034 122 S CB 0.768 63.944 63.200 -0.041 0.000 0.939 122 S HN 0.226 8.469 8.310 -0.112 0.000 0.513 123 L N 2.905 124.116 121.223 -0.021 0.000 2.418 123 L HA 0.141 4.481 4.340 0.001 0.000 0.265 123 L C -1.417 175.450 176.870 -0.005 0.000 1.143 123 L CA -2.018 52.820 54.840 -0.003 0.000 0.809 123 L CB 0.101 42.167 42.059 0.011 0.000 1.124 123 L HN 0.207 8.426 8.230 -0.017 0.000 0.456 124 P HA 0.151 4.560 4.420 -0.017 0.000 0.279 124 P C -1.221 176.078 177.300 -0.001 0.000 1.252 124 P CA -0.805 62.292 63.100 -0.006 0.000 0.811 124 P CB 0.790 32.486 31.700 -0.006 0.000 1.035 128 c N 1.052 119.627 118.600 -0.042 0.000 2.534 128 c HA 0.072 4.605 4.570 -0.062 0.000 0.385 128 c C 0.132 174.163 174.090 -0.100 0.000 1.264 128 c CA -0.590 55.699 56.329 -0.066 0.000 2.342 128 c CB 0.367 42.842 42.510 -0.058 0.000 2.564 128 c HN -0.019 8.189 8.230 -0.036 0.000 0.603 129 A N 1.837 124.561 122.820 -0.160 0.000 2.286 129 A HA 0.046 4.292 4.320 -0.124 0.000 0.286 129 A C -0.787 176.691 177.584 -0.177 0.000 1.097 129 A CA -0.194 51.738 52.037 -0.174 0.000 0.821 129 A CB 1.003 19.862 19.000 -0.235 0.000 1.076 129 A HN 0.217 8.247 8.150 -0.201 0.000 0.490 133 G N 2.442 111.202 108.800 -0.066 0.000 2.268 133 G HA2 -0.301 3.625 3.960 -0.056 0.000 0.240 133 G HA3 -0.301 3.631 3.960 -0.047 0.000 0.240 133 G C 0.280 175.140 174.900 -0.065 0.000 1.010 133 G CA -0.070 44.996 45.100 -0.058 0.000 0.618 133 G HN 0.857 8.993 8.290 -0.069 0.112 0.516 134 T N 3.700 118.204 114.554 -0.084 0.000 2.928 134 T HA -0.190 4.122 4.350 -0.064 0.000 0.305 134 T C -0.937 173.717 174.700 -0.077 0.000 1.035 134 T CA 2.428 64.478 62.100 -0.083 0.000 1.145 134 T CB 0.766 69.566 68.868 -0.115 0.000 0.963 134 T HN -0.467 7.633 8.240 -0.098 0.082 0.545 135 Q N 5.449 125.218 119.800 -0.052 0.000 2.256 135 Q HA 0.181 4.605 4.340 -0.044 -0.111 0.254 135 Q C -0.907 175.075 176.000 -0.031 0.000 0.916 135 Q CA 0.194 55.977 55.803 -0.033 0.000 0.932 135 Q CB 1.449 30.183 28.738 -0.007 0.000 1.207 135 Q HN 0.198 8.442 8.270 -0.044 0.000 0.426 136 c N 3.345 121.929 118.600 -0.028 0.000 3.044 136 c HA 0.618 5.286 4.570 -0.017 -0.108 0.315 136 c C -1.866 172.230 174.090 0.010 0.000 1.320 136 c CA -1.576 54.739 56.329 -0.022 0.000 1.582 136 c CB 4.322 46.799 42.510 -0.055 0.000 2.039 136 c HN 0.823 8.926 8.230 -0.030 0.109 0.466 137 L N 0.694 121.932 121.223 0.024 0.000 2.333 137 L HA 0.863 5.411 4.340 0.052 -0.177 0.280 137 L C -2.254 174.632 176.870 0.026 0.000 1.004 137 L CA -1.328 53.539 54.840 0.045 0.000 0.820 137 L CB 3.343 45.450 42.059 0.080 0.000 1.247 137 L HN 0.641 8.775 8.230 0.019 0.107 0.416 138 I N 7.148 127.718 120.570 -0.001 0.000 2.530 138 I HA 0.874 5.283 4.170 0.017 -0.229 0.297 138 I C -1.323 174.762 176.117 -0.054 0.000 1.011 138 I CA -1.567 59.729 61.300 -0.006 0.000 1.107 138 I CB 2.784 40.784 38.000 -0.000 0.000 1.285 138 I HN 0.788 8.998 8.210 -0.001 0.000 0.436 139 S N 2.013 117.673 115.700 -0.066 0.000 2.588 139 S HA 1.017 5.511 4.470 -0.232 -0.163 0.275 139 S C -1.197 173.279 174.600 -0.206 0.000 1.130 139 S CA -1.680 56.404 58.200 -0.193 0.000 0.855 139 S CB 3.720 66.767 63.200 -0.255 0.000 1.116 139 S HN -0.187 8.116 8.310 -0.011 0.000 0.472 140 G N -1.164 107.419 108.800 -0.361 0.000 2.321 140 G HA2 0.144 3.849 3.960 -0.424 0.000 0.298 140 G HA3 0.144 4.201 3.960 -0.061 -0.134 0.298 140 G C -2.309 172.362 174.900 -0.383 0.000 1.385 140 G CA 0.552 45.464 45.100 -0.313 0.000 0.856 140 G HN 0.291 8.308 8.290 -0.454 0.000 0.584 141 W N 1.140 122.390 121.300 -0.084 0.000 3.015 141 W HA 0.394 5.001 4.660 -0.088 0.000 0.429 141 W C -0.182 176.374 176.519 0.062 0.000 0.976 141 W CA -0.940 56.319 57.345 -0.143 0.000 2.086 141 W CB 0.071 29.218 29.460 -0.522 0.000 1.125 141 W HN 0.587 8.936 8.180 0.281 0.000 0.721 142 G N 0.730 109.710 108.800 0.300 0.000 2.621 142 G HA2 -0.036 4.276 3.960 0.579 0.000 0.271 142 G HA3 -0.036 4.274 3.960 0.294 -0.173 0.271 142 G C -1.082 173.937 174.900 0.197 0.000 1.236 142 G CA -0.813 44.508 45.100 0.368 0.000 0.958 142 G HN -0.449 8.128 8.290 0.188 -0.174 0.512 143 N N -0.580 118.142 118.700 0.037 0.000 2.356 143 N HA -0.309 4.095 4.740 -0.848 -0.173 0.252 143 N C 0.868 176.280 175.510 -0.165 0.000 1.241 143 N CA 1.114 53.932 53.050 -0.386 0.000 0.861 143 N CB 0.642 38.911 38.487 -0.362 0.000 1.075 143 N HN 0.203 8.725 8.380 0.236 0.000 0.461 144 T N 0.477 114.925 114.554 -0.176 0.000 3.054 144 T HA 0.187 4.632 4.350 -0.056 -0.129 0.255 144 T C 0.071 174.727 174.700 -0.073 0.000 1.035 144 T CA 0.378 62.428 62.100 -0.085 0.000 0.941 144 T CB 1.321 70.153 68.868 -0.060 0.000 1.026 144 T HN 0.297 8.382 8.240 -0.259 0.000 0.533 145 K N 2.273 122.616 120.400 -0.095 0.000 2.270 145 K HA 0.273 4.569 4.320 -0.040 0.000 0.255 145 K C -0.512 176.064 176.600 -0.040 0.000 0.936 145 K CA -1.123 55.129 56.287 -0.058 0.000 0.809 145 K CB 2.549 35.012 32.500 -0.061 0.000 1.131 145 K HN -0.772 7.603 8.250 -0.148 -0.214 0.427 146 S N 1.145 116.835 115.700 -0.017 0.000 2.446 146 S HA -0.131 4.342 4.470 0.005 0.000 0.225 146 S C -0.052 174.550 174.600 0.003 0.000 1.016 146 S CA 1.993 60.193 58.200 0.001 0.000 0.943 146 S CB 0.683 63.889 63.200 0.009 0.000 0.786 146 S HN 0.138 8.438 8.310 -0.015 0.000 0.508 147 S N 1.612 117.310 115.700 -0.003 0.000 2.328 147 S HA 0.182 4.657 4.470 0.008 0.000 0.204 147 S C -0.783 173.814 174.600 -0.005 0.000 1.475 147 S CA -0.115 58.086 58.200 0.002 0.000 1.148 147 S CB -0.441 62.762 63.200 0.004 0.000 1.077 147 S HN -0.492 7.791 8.310 -0.009 0.022 0.479 148 G N 1.605 110.401 108.800 -0.007 0.000 2.371 148 G HA2 -0.187 3.775 3.960 0.004 0.000 0.663 148 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.663 148 G C -2.746 172.129 174.900 -0.041 0.000 1.311 148 G CA -0.736 44.357 45.100 -0.010 0.000 0.985 148 G HN -0.323 7.965 8.290 -0.002 0.000 0.566 149 T N -3.386 111.141 114.554 -0.045 0.000 2.791 149 T HA 0.187 4.601 4.350 -0.258 -0.218 0.288 149 T C -1.139 173.457 174.700 -0.175 0.000 0.999 149 T CA -1.686 60.326 62.100 -0.147 0.000 0.952 149 T CB 2.058 70.933 68.868 0.011 0.000 0.938 149 T HN -0.165 8.070 8.240 -0.009 0.000 0.444 150 S N 5.041 120.559 115.700 -0.303 0.000 2.707 150 S HA 0.264 4.712 4.470 -0.037 0.000 0.303 150 S C -2.129 172.303 174.600 -0.280 0.000 1.132 150 S CA -1.104 57.006 58.200 -0.149 0.000 1.046 150 S CB 1.423 64.572 63.200 -0.085 0.000 1.004 150 S HN 0.866 9.329 8.310 -0.422 -0.406 0.483 151 Y N 5.890 126.228 120.300 0.062 0.000 2.331 151 Y HA 0.253 4.856 4.550 0.090 0.000 0.338 151 Y C -0.912 175.036 175.900 0.080 0.000 0.992 151 Y CA -2.864 55.286 58.100 0.083 0.000 1.121 151 Y CB 1.437 39.956 38.460 0.098 0.000 1.184 151 Y HN 0.197 8.596 8.280 0.198 0.000 0.469 152 P HA 0.263 4.759 4.420 0.125 0.000 0.278 152 P C -1.562 175.864 177.300 0.210 0.000 1.266 152 P CA -1.059 62.142 63.100 0.168 0.000 0.807 152 P CB 1.884 33.654 31.700 0.116 0.000 1.094 153 D N -2.649 117.851 120.400 0.168 0.000 2.323 153 D HA -0.016 4.693 4.640 0.115 0.000 0.218 153 D C -0.663 175.786 176.300 0.249 0.000 0.973 153 D CA 1.728 55.818 54.000 0.150 0.000 0.890 153 D CB 0.906 41.764 40.800 0.095 0.000 1.011 153 D HN 0.394 8.843 8.370 0.132 0.000 0.499 154 V N -7.768 112.284 119.914 0.231 0.000 3.096 154 V HA 0.591 5.192 4.120 0.393 -0.245 0.319 154 V C -0.783 175.366 176.094 0.092 0.000 1.082 154 V CA -2.792 59.656 62.300 0.246 0.000 1.022 154 V CB 1.912 33.801 31.823 0.109 0.000 1.103 154 V HN -0.936 7.349 8.190 0.158 0.000 0.455 155 L N 1.259 122.413 121.223 -0.115 0.000 2.455 155 L HA -0.027 3.500 4.340 -1.354 0.000 0.272 155 L C -0.323 176.289 176.870 -0.430 0.000 1.174 155 L CA 0.672 55.095 54.840 -0.695 0.000 0.869 155 L CB 0.599 42.233 42.059 -0.709 0.000 1.130 155 L HN -0.168 8.289 8.230 0.072 -0.184 0.474 156 K N 5.772 125.895 120.400 -0.463 0.000 2.156 156 K HA 0.682 4.969 4.320 -0.323 -0.161 0.254 156 K C -1.130 175.213 176.600 -0.429 0.000 0.950 156 K CA -2.548 53.528 56.287 -0.352 0.000 0.849 156 K CB 2.324 34.684 32.500 -0.232 0.000 1.100 156 K HN -0.179 7.717 8.250 -0.590 0.000 0.434 157 c N -0.274 117.973 118.600 -0.589 0.000 2.707 157 c HA 0.953 5.449 4.570 -0.415 -0.175 0.313 157 c C -1.807 171.897 174.090 -0.644 0.000 1.209 157 c CA -0.768 55.152 56.329 -0.682 0.000 1.635 157 c CB 3.572 45.503 42.510 -0.965 0.000 2.206 157 c HN 0.782 8.601 8.230 -0.686 0.000 0.485 158 L N 0.438 121.498 121.223 -0.271 0.000 2.493 158 L HA 0.391 4.769 4.340 0.063 0.000 0.265 158 L C -2.402 174.534 176.870 0.110 0.000 0.954 158 L CA 0.052 54.886 54.840 -0.010 0.000 0.844 158 L CB 4.402 46.479 42.059 0.030 0.000 1.302 158 L HN 0.714 8.823 8.230 -0.203 0.000 0.405 159 K N 6.307 126.841 120.400 0.223 0.000 2.183 159 K HA 0.794 5.392 4.320 0.127 -0.201 0.274 159 K C -0.933 175.795 176.600 0.213 0.000 1.009 159 K CA -1.334 55.063 56.287 0.184 0.000 0.888 159 K CB 1.138 33.753 32.500 0.190 0.000 1.078 159 K HN 0.321 8.746 8.250 0.292 0.000 0.459 160 A N 3.996 126.876 122.820 0.100 0.000 2.549 160 A HA 0.641 4.939 4.320 -0.037 0.000 0.297 160 A C -3.412 174.099 177.584 -0.123 0.000 1.061 160 A CA -2.620 49.402 52.037 -0.025 0.000 0.690 160 A CB 3.073 22.060 19.000 -0.020 0.000 1.287 160 A HN 0.822 9.001 8.150 0.048 0.000 0.402 161 P HA 0.789 5.356 4.420 -0.108 -0.212 0.282 161 P C -1.148 176.078 177.300 -0.124 0.000 1.259 161 P CA -1.523 61.484 63.100 -0.156 0.000 0.826 161 P CB 1.672 33.278 31.700 -0.157 0.000 1.064 162 I N -0.004 120.511 120.570 -0.093 0.000 2.441 162 I HA -0.009 4.313 4.170 0.062 -0.115 0.287 162 I C 0.084 176.185 176.117 -0.028 0.000 1.049 162 I CA 0.316 61.588 61.300 -0.046 0.000 1.381 162 I CB 0.465 38.352 38.000 -0.188 0.000 1.409 162 I HN 0.133 8.279 8.210 -0.107 0.000 0.523 163 L N 6.509 127.752 121.223 0.034 0.000 2.416 163 L HA 0.275 4.606 4.340 -0.016 0.000 0.262 163 L C 0.012 176.899 176.870 0.029 0.000 1.093 163 L CA -0.971 53.880 54.840 0.018 0.000 0.801 163 L CB 0.652 42.733 42.059 0.036 0.000 1.191 163 L HN 0.315 8.505 8.230 0.114 0.109 0.459 164 S N -1.392 114.318 115.700 0.017 0.000 2.593 164 S HA -0.105 4.370 4.470 0.009 0.000 0.269 164 S C 0.435 175.060 174.600 0.043 0.000 1.334 164 S CA -0.718 57.494 58.200 0.019 0.000 1.015 164 S CB 1.699 64.904 63.200 0.009 0.000 0.912 164 S HN -0.101 8.214 8.310 0.009 0.000 0.541 165 D N 1.452 121.878 120.400 0.044 0.000 2.144 165 D HA -0.221 4.469 4.640 0.085 0.000 0.199 165 D C 1.746 178.078 176.300 0.055 0.000 0.984 165 D CA 3.231 57.268 54.000 0.062 0.000 0.834 165 D CB -0.185 40.647 40.800 0.052 0.000 0.955 165 D HN 0.554 8.942 8.370 0.030 0.000 0.465 166 S N -1.096 114.627 115.700 0.038 0.000 2.368 166 S HA -0.320 4.172 4.470 0.036 0.000 0.225 166 S C 2.132 176.752 174.600 0.033 0.000 1.030 166 S CA 3.667 61.886 58.200 0.033 0.000 0.999 166 S CB -0.241 62.972 63.200 0.021 0.000 0.844 166 S HN 0.006 8.327 8.310 0.030 0.007 0.459 167 S N 3.064 118.781 115.700 0.029 0.000 2.383 167 S HA -0.230 4.247 4.470 0.012 0.000 0.227 167 S C 1.832 176.453 174.600 0.035 0.000 1.026 167 S CA 3.841 62.054 58.200 0.022 0.000 0.981 167 S CB -0.143 63.066 63.200 0.016 0.000 0.818 167 S HN -0.551 7.776 8.310 0.028 0.000 0.472 168 c N 3.439 122.079 118.600 0.067 0.000 2.436 168 c HA -0.305 4.339 4.570 0.124 0.000 0.277 168 c C 1.665 175.838 174.090 0.139 0.000 1.241 168 c CA 2.686 59.086 56.329 0.117 0.000 1.721 168 c CB -1.723 40.866 42.510 0.132 0.000 2.043 168 c HN -0.217 8.052 8.230 0.065 0.000 0.472 169 K N -1.027 119.439 120.400 0.110 0.000 2.148 169 K HA -0.319 4.097 4.320 0.160 0.000 0.204 169 K C 2.435 179.081 176.600 0.076 0.000 1.050 169 K CA 2.970 59.324 56.287 0.112 0.000 0.942 169 K CB -0.267 32.284 32.500 0.085 0.000 0.724 169 K HN 0.136 8.440 8.250 0.091 0.000 0.446 170 S N -1.261 114.463 115.700 0.040 0.000 2.402 170 S HA -0.196 4.283 4.470 0.016 0.000 0.229 170 S C 1.324 175.903 174.600 -0.035 0.000 1.021 170 S CA 2.616 60.821 58.200 0.008 0.000 0.974 170 S CB -0.117 63.084 63.200 0.000 0.000 0.800 170 S HN -0.218 8.022 8.310 0.041 0.095 0.484 171 A N -0.543 122.231 122.820 -0.078 0.000 1.970 171 A HA -0.081 4.093 4.320 -0.244 0.000 0.216 171 A C -0.318 176.995 177.584 -0.451 0.000 1.170 171 A CA 1.816 53.679 52.037 -0.289 0.000 0.645 171 A CB 0.927 19.687 19.000 -0.400 0.000 0.816 171 A HN -0.531 7.485 8.150 -0.026 0.119 0.447 172 Y N -5.423 114.916 120.300 0.065 0.000 2.495 172 Y HA 0.465 5.089 4.550 0.123 0.000 0.362 172 Y C -2.502 173.462 175.900 0.105 0.000 0.956 172 Y CA -3.587 54.585 58.100 0.120 0.000 1.127 172 Y CB -0.247 38.332 38.460 0.199 0.000 1.173 172 Y HN -0.493 7.844 8.280 0.096 0.000 0.639 173 P HA -0.120 4.482 4.420 0.109 -0.116 0.264 173 P C 0.901 178.272 177.300 0.118 0.000 1.183 173 P CA 1.199 64.367 63.100 0.113 0.000 0.763 173 P CB 0.155 31.893 31.700 0.064 0.000 0.807 174 G N 3.343 112.202 108.800 0.098 0.000 2.175 174 G HA2 -0.368 3.628 3.960 0.060 0.000 0.265 174 G HA3 -0.368 3.625 3.960 0.056 0.000 0.265 174 G C 0.081 175.031 174.900 0.083 0.000 0.979 174 G CA 0.827 45.971 45.100 0.073 0.000 0.663 174 G HN 0.499 8.844 8.290 0.092 0.000 0.533 175 Q N -2.724 117.162 119.800 0.144 0.000 2.189 175 Q HA 0.094 4.461 4.340 0.044 0.000 0.223 175 Q C -0.655 175.469 176.000 0.206 0.000 0.828 175 Q CA -0.523 55.362 55.803 0.137 0.000 0.967 175 Q CB 1.530 30.381 28.738 0.188 0.000 1.139 175 Q HN -0.256 8.069 8.270 0.191 0.060 0.497 176 I N 0.601 121.291 120.570 0.201 0.000 2.321 176 I HA 0.059 4.372 4.170 0.239 0.000 0.291 176 I C -0.411 175.782 176.117 0.127 0.000 0.998 176 I CA -2.223 59.190 61.300 0.189 0.000 1.227 176 I CB -0.790 37.314 38.000 0.174 0.000 1.368 176 I HN -0.378 7.938 8.210 0.178 0.000 0.466 177 T N 2.604 117.230 114.554 0.119 0.000 2.910 177 T HA 0.369 4.758 4.350 0.065 0.000 0.279 177 T C 0.791 175.541 174.700 0.084 0.000 0.989 177 T CA -2.091 60.058 62.100 0.081 0.000 0.968 177 T CB 2.129 71.036 68.868 0.065 0.000 1.135 177 T HN -0.399 7.928 8.240 0.145 0.000 0.562 178 S N -2.168 113.567 115.700 0.058 0.000 2.603 178 S HA -0.155 4.355 4.470 0.068 0.000 0.229 178 S C 0.159 174.800 174.600 0.069 0.000 0.972 178 S CA 1.751 59.984 58.200 0.055 0.000 0.935 178 S CB -0.188 63.025 63.200 0.021 0.000 0.769 178 S HN 0.242 8.577 8.310 0.041 0.000 0.536 179 N N 0.176 118.931 118.700 0.090 0.000 2.279 179 N HA 0.179 4.989 4.740 0.116 0.000 0.226 179 N C -1.792 173.838 175.510 0.201 0.000 1.126 179 N CA -0.226 52.911 53.050 0.145 0.000 0.846 179 N CB 0.757 39.356 38.487 0.187 0.000 1.050 179 N HN -0.608 7.747 8.380 0.086 0.077 0.502 180 M N -1.062 118.642 119.600 0.174 0.000 2.550 180 M HA 0.864 5.623 4.480 0.091 -0.224 0.292 180 M C -2.356 174.061 176.300 0.195 0.000 1.221 180 M CA -0.399 54.980 55.300 0.132 0.000 0.873 180 M CB 5.176 37.834 32.600 0.097 0.000 1.727 180 M HN -0.784 7.506 8.290 0.155 0.093 0.459 181 F N -5.779 114.219 119.950 0.079 0.000 2.645 181 F HA 0.611 5.170 4.527 0.054 0.000 0.310 181 F C -2.818 173.037 175.800 0.091 0.000 1.102 181 F CA -1.754 56.289 58.000 0.071 0.000 0.952 181 F CB 2.359 41.397 39.000 0.064 0.000 1.326 181 F HN 0.175 8.321 8.300 -0.257 0.000 0.456 182 c N -0.102 118.669 118.600 0.285 0.000 2.391 182 c HA 0.999 5.823 4.570 0.083 -0.205 0.339 182 c C -1.063 173.222 174.090 0.324 0.000 1.205 182 c CA -0.988 55.457 56.329 0.194 0.000 1.937 182 c CB 2.613 45.205 42.510 0.136 0.000 2.341 182 c HN 0.912 9.346 8.230 0.341 0.000 0.516 183 A N 3.211 126.204 122.820 0.287 0.000 2.530 183 A HA 0.655 5.165 4.320 0.088 -0.137 0.279 183 A C -2.281 175.355 177.584 0.088 0.000 1.109 183 A CA -0.353 51.769 52.037 0.142 0.000 0.763 183 A CB 2.598 21.594 19.000 -0.007 0.000 1.257 183 A HN 0.429 8.781 8.150 0.336 0.000 0.424 184 Y N 2.863 123.198 120.300 0.057 0.000 2.365 184 Y HA 0.061 4.632 4.550 0.036 0.000 0.340 184 Y C 0.964 176.882 175.900 0.030 0.000 1.016 184 Y CA -0.155 57.969 58.100 0.039 0.000 1.196 184 Y CB 0.633 39.114 38.460 0.034 0.000 1.167 184 Y HN 0.325 8.753 8.280 0.248 0.000 0.509 185 L N 4.126 125.425 121.223 0.127 0.000 2.275 185 L HA -0.316 4.058 4.340 0.055 0.000 0.215 185 L C 1.151 178.067 176.870 0.077 0.000 1.119 185 L CA 2.230 57.113 54.840 0.072 0.000 0.790 185 L CB -0.396 41.686 42.059 0.038 0.000 0.919 185 L HN 0.526 8.816 8.230 0.099 0.000 0.443 186 E N -2.039 118.225 120.200 0.106 0.000 2.418 186 E HA -0.147 4.231 4.350 0.047 0.000 0.197 186 E C 0.803 177.438 176.600 0.057 0.000 1.026 186 E CA 0.368 56.809 56.400 0.068 0.000 0.862 186 E CB -0.488 29.249 29.700 0.062 0.000 0.799 186 E HN 0.104 8.522 8.360 0.155 0.035 0.518 187 G N 0.814 109.663 108.800 0.083 0.000 3.292 187 G HA2 -0.370 3.636 3.960 0.077 0.000 0.636 187 G HA3 -0.370 3.614 3.960 0.040 0.000 0.636 187 G C -0.909 174.010 174.900 0.032 0.000 1.069 187 G CA -0.169 44.967 45.100 0.060 0.000 0.890 187 G HN -0.576 7.630 8.290 0.129 0.161 0.427 188 K N 1.061 121.457 120.400 -0.006 0.000 7.323 188 K HA -0.601 3.967 4.320 0.003 -0.246 0.689 188 K C -1.410 175.278 176.600 0.147 0.000 2.565 188 K CA 0.397 56.692 56.287 0.015 0.000 1.883 188 K CB -0.054 32.352 32.500 -0.157 0.000 1.982 188 K HN 0.203 8.474 8.250 0.036 0.000 0.295 189 D N 0.464 120.938 120.400 0.124 0.000 2.764 189 D HA 0.290 5.051 4.640 0.203 0.000 0.293 189 D C -1.901 174.469 176.300 0.117 0.000 1.287 189 D CA -0.576 53.513 54.000 0.149 0.000 0.768 189 D CB 4.305 45.176 40.800 0.118 0.000 1.288 189 D HN 0.263 8.682 8.370 0.082 0.000 0.426 190 S N -1.610 114.173 115.700 0.138 0.000 2.707 190 S HA 0.352 4.942 4.470 0.095 -0.063 0.276 190 S C -1.359 173.290 174.600 0.082 0.000 1.179 190 S CA -0.561 57.710 58.200 0.119 0.000 0.992 190 S CB 1.774 65.085 63.200 0.184 0.000 1.030 190 S HN 0.251 8.661 8.310 0.167 0.000 0.554 191 c N -1.684 116.969 118.600 0.089 0.000 3.293 191 c HA 0.256 4.871 4.570 0.075 0.000 0.362 191 c C -1.594 172.581 174.090 0.141 0.000 1.539 191 c CA -0.575 55.807 56.329 0.089 0.000 1.201 191 c CB 2.865 45.410 42.510 0.058 0.000 1.770 191 c HN 0.273 8.850 8.230 0.106 -0.283 0.440 192 Q N 2.122 122.018 119.800 0.160 0.000 2.304 192 Q HA -0.324 4.149 4.340 0.221 0.000 0.301 192 Q C 0.782 176.977 176.000 0.325 0.000 1.063 192 Q CA 2.213 58.154 55.803 0.231 0.000 0.947 192 Q CB 0.528 29.403 28.738 0.228 0.000 1.201 192 Q HN 0.587 8.933 8.270 0.127 0.000 0.389 193 G N 6.568 115.564 108.800 0.326 0.000 2.254 193 G HA2 -0.419 3.735 3.960 0.324 0.000 0.225 193 G HA3 -0.419 3.858 3.960 0.528 0.000 0.225 193 G C 0.683 175.816 174.900 0.388 0.000 1.003 193 G CA 1.184 46.523 45.100 0.399 0.000 0.622 193 G HN 0.782 9.243 8.290 0.284 0.000 0.507 194 D N 1.551 122.120 120.400 0.281 0.000 2.346 194 D HA 0.111 4.902 4.640 0.251 0.000 0.206 194 D C 0.119 176.526 176.300 0.179 0.000 1.001 194 D CA 0.945 55.077 54.000 0.220 0.000 0.871 194 D CB 0.328 41.223 40.800 0.158 0.000 0.943 194 D HN 0.104 8.523 8.370 0.255 0.104 0.518 195 S N -0.699 115.108 115.700 0.178 0.000 2.599 195 S HA -0.493 4.216 4.470 0.151 -0.148 0.303 195 S C 1.155 175.772 174.600 0.028 0.000 1.267 195 S CA 2.567 60.847 58.200 0.134 0.000 1.055 195 S CB -0.299 63.026 63.200 0.209 0.000 0.790 195 S HN -0.495 7.904 8.310 0.211 0.038 0.500 196 G N 4.420 113.218 108.800 -0.003 0.000 2.225 196 G HA2 -0.458 3.545 3.960 -0.036 0.000 0.254 196 G HA3 -0.458 3.569 3.960 -0.059 -0.103 0.254 196 G C -0.307 174.626 174.900 0.055 0.000 0.988 196 G CA 0.431 45.520 45.100 -0.018 0.000 0.625 196 G HN 0.771 9.077 8.290 0.027 0.000 0.527 197 G N 0.826 109.684 108.800 0.097 0.000 2.616 197 G HA2 0.365 4.469 3.960 0.123 0.000 0.268 197 G HA3 0.365 4.399 3.960 0.123 0.000 0.268 197 G C -2.652 172.331 174.900 0.138 0.000 1.213 197 G CA -2.020 43.154 45.100 0.122 0.000 0.926 197 G HN -0.328 7.933 8.290 0.104 0.091 0.523 198 P HA 0.318 4.941 4.420 0.137 -0.121 0.281 198 P C -1.598 175.771 177.300 0.116 0.000 1.249 198 P CA -0.854 62.340 63.100 0.157 0.000 0.810 198 P CB 1.557 33.414 31.700 0.262 0.000 1.008 199 V N 2.429 122.392 119.914 0.081 0.000 2.419 199 V HA 0.267 4.543 4.120 -0.007 -0.160 0.287 199 V C -1.328 174.781 176.094 0.025 0.000 1.017 199 V CA -0.437 61.873 62.300 0.016 0.000 0.844 199 V CB 1.739 33.542 31.823 -0.033 0.000 1.011 199 V HN -0.233 8.010 8.190 0.089 0.000 0.429 200 V N 7.962 127.883 119.914 0.012 0.000 2.459 200 V HA 0.614 4.887 4.120 -0.057 -0.187 0.295 200 V C -1.324 174.754 176.094 -0.027 0.000 1.029 200 V CA -1.271 61.010 62.300 -0.033 0.000 0.874 200 V CB 2.835 34.621 31.823 -0.060 0.000 0.985 200 V HN 0.631 8.841 8.190 0.034 0.000 0.438 201 c N 7.491 126.063 118.600 -0.048 0.000 2.431 201 c HA 0.578 5.127 4.570 -0.035 0.000 0.321 201 c C 0.212 174.273 174.090 -0.048 0.000 1.202 201 c CA -1.214 55.085 56.329 -0.050 0.000 1.398 201 c CB 1.937 44.398 42.510 -0.082 0.000 2.047 201 c HN 0.609 8.803 8.230 -0.059 0.000 0.465 202 S N 5.466 121.146 115.700 -0.033 0.000 3.549 202 S HA -0.345 4.114 4.470 -0.018 0.000 0.366 202 S C 0.315 174.895 174.600 -0.033 0.000 1.012 202 S CA 1.009 59.191 58.200 -0.029 0.000 1.141 202 S CB -1.191 61.988 63.200 -0.035 0.000 0.910 202 S HN 1.142 9.437 8.310 -0.025 0.000 0.471 203 G N -5.499 103.279 108.800 -0.037 0.000 2.168 203 G HA2 -0.366 3.558 3.960 -0.060 0.000 0.263 203 G HA3 -0.366 3.571 3.960 -0.037 0.000 0.263 203 G C -0.767 174.081 174.900 -0.086 0.000 0.977 203 G CA 0.463 45.530 45.100 -0.055 0.000 0.659 203 G HN 0.311 8.575 8.290 -0.028 0.010 0.533 210 Q N 1.032 120.855 119.800 0.037 0.000 2.392 210 Q HA 0.191 4.571 4.340 0.067 0.000 0.219 210 Q C -0.202 175.961 176.000 0.272 0.000 0.895 210 Q CA 0.237 56.085 55.803 0.076 0.000 0.929 210 Q CB 2.595 31.296 28.738 -0.062 0.000 1.077 210 Q HN 0.299 8.581 8.270 0.020 0.000 0.532 211 G N -3.199 105.776 108.800 0.293 0.000 2.694 211 G HA2 0.619 5.064 3.960 0.402 0.000 0.290 211 G HA3 0.619 4.839 3.960 0.433 0.000 0.290 211 G C -3.250 171.771 174.900 0.202 0.000 1.386 211 G CA -0.728 44.584 45.100 0.353 0.000 0.872 211 G HN -0.408 7.991 8.290 0.181 0.000 0.475 212 I N -1.268 119.415 120.570 0.188 0.000 2.498 212 I HA 0.543 5.018 4.170 0.156 -0.211 0.290 212 I C -0.439 175.804 176.117 0.211 0.000 1.032 212 I CA -1.417 59.978 61.300 0.157 0.000 1.073 212 I CB 4.246 42.298 38.000 0.088 0.000 1.251 212 I HN -0.383 7.930 8.210 0.171 0.000 0.426 213 V N 7.248 127.302 119.914 0.233 0.000 2.493 213 V HA -0.227 3.975 4.120 0.137 0.000 0.292 213 V C -1.134 174.983 176.094 0.039 0.000 1.016 213 V CA 2.157 64.552 62.300 0.158 0.000 1.097 213 V CB -1.121 30.813 31.823 0.185 0.000 0.947 213 V HN 0.370 8.681 8.190 0.202 0.000 0.479 214 S N 7.774 123.403 115.700 -0.118 0.000 3.142 214 S HA 0.306 4.975 4.470 0.333 0.000 0.223 214 S C -0.836 173.868 174.600 0.173 0.000 0.939 214 S CA 0.996 59.272 58.200 0.126 0.000 0.826 214 S CB 2.368 65.635 63.200 0.111 0.000 0.823 214 S HN -0.071 7.959 8.310 -0.468 0.000 0.612 215 W N -4.273 116.877 121.300 -0.251 0.000 2.940 215 W HA 0.262 4.820 4.660 -0.171 0.000 0.394 215 W C -2.939 173.411 176.519 -0.281 0.000 1.155 215 W CA -0.721 56.483 57.345 -0.235 0.000 1.165 215 W CB 0.654 29.971 29.460 -0.238 0.000 1.492 215 W HN -0.333 7.526 8.180 -0.535 0.000 0.593 216 G N -3.269 105.560 108.800 0.048 0.000 2.368 216 G HA2 0.030 3.679 3.960 -0.519 0.000 0.293 216 G HA3 0.030 3.906 3.960 -0.141 0.000 0.293 216 G C -2.219 172.807 174.900 0.210 0.000 1.467 216 G CA 0.320 45.351 45.100 -0.114 0.000 0.804 216 G HN -0.066 8.440 8.290 0.359 0.000 0.535 220 c N 2.052 120.688 118.600 0.060 0.000 3.359 220 c HA 0.310 5.057 4.570 0.060 -0.141 0.194 220 c C -1.514 172.605 174.090 0.050 0.000 1.659 220 c CA -0.777 55.584 56.329 0.054 0.000 1.338 220 c CB -1.373 41.163 42.510 0.043 0.000 2.109 220 c HN 0.338 8.599 8.230 0.052 0.000 0.518 221 Q N -2.116 117.716 119.800 0.053 0.000 2.889 221 Q HA 0.078 4.438 4.340 0.033 0.000 0.262 221 Q C -1.898 174.123 176.000 0.036 0.000 0.966 221 Q CA -0.544 55.283 55.803 0.040 0.000 0.858 221 Q CB 2.109 30.872 28.738 0.042 0.000 1.845 221 Q HN -0.027 8.281 8.270 0.063 0.000 0.464 222 K N 2.597 123.011 120.400 0.024 0.000 2.436 222 K HA -0.338 4.203 4.320 0.033 -0.201 0.275 222 K C 0.491 177.090 176.600 -0.001 0.000 0.999 222 K CA 1.551 57.849 56.287 0.019 0.000 0.980 222 K CB 0.151 32.658 32.500 0.013 0.000 0.919 222 K HN 0.193 8.455 8.250 0.021 0.000 0.484 223 N N 1.903 120.600 118.700 -0.006 0.000 2.681 223 N HA -0.484 4.235 4.740 -0.036 0.000 0.250 223 N C -1.639 173.803 175.510 -0.113 0.000 1.133 223 N CA 1.731 54.752 53.050 -0.049 0.000 0.732 223 N CB -0.492 37.961 38.487 -0.057 0.000 1.107 223 N HN 0.814 9.077 8.380 0.015 0.126 0.559 224 K N -2.451 117.910 120.400 -0.065 0.000 2.753 224 K HA 0.545 4.665 4.320 -0.334 0.000 0.185 224 K C -2.377 174.271 176.600 0.081 0.000 1.071 224 K CA -3.559 52.683 56.287 -0.076 0.000 0.999 224 K CB -0.108 32.403 32.500 0.020 0.000 1.244 224 K HN -0.773 7.425 8.250 -0.007 0.048 0.594 225 P HA -0.035 4.451 4.420 0.109 0.000 0.274 225 P C -0.510 176.841 177.300 0.086 0.000 1.260 225 P CA -0.481 62.691 63.100 0.119 0.000 0.793 225 P CB 1.156 32.916 31.700 0.102 0.000 1.048 226 G N -2.312 106.506 108.800 0.030 0.000 2.503 226 G HA2 0.301 4.058 3.960 -0.339 0.000 0.257 226 G HA3 0.301 4.139 3.960 -0.203 0.000 0.257 226 G C -1.775 172.806 174.900 -0.530 0.000 1.214 226 G CA -0.652 44.291 45.100 -0.261 0.000 0.839 226 G HN -0.380 7.988 8.290 0.131 0.000 0.559 227 V N 2.062 121.324 119.914 -1.087 0.000 2.555 227 V HA 0.611 4.493 4.120 -0.674 -0.166 0.302 227 V C -0.983 174.347 176.094 -1.273 0.000 1.038 227 V CA -0.970 60.653 62.300 -1.127 0.000 0.887 227 V CB 2.205 32.926 31.823 -1.836 0.000 0.991 227 V HN 0.443 7.942 8.190 -1.152 0.000 0.434 228 Y N 5.113 125.003 120.300 -0.684 0.000 2.485 228 Y HA 0.555 5.010 4.550 -0.385 -0.136 0.345 228 Y C 0.275 175.883 175.900 -0.487 0.000 0.998 228 Y CA -2.208 55.498 58.100 -0.657 0.000 1.059 228 Y CB 3.730 41.522 38.460 -1.114 0.000 1.234 228 Y HN 1.023 8.931 8.280 -0.620 0.000 0.461 229 T N 5.118 119.634 114.554 -0.064 0.000 2.870 229 T HA 0.011 4.571 4.350 0.095 -0.152 0.300 229 T C -0.658 174.166 174.700 0.207 0.000 0.989 229 T CA 1.439 63.583 62.100 0.074 0.000 1.139 229 T CB 0.454 69.350 68.868 0.047 0.000 0.920 229 T HN 0.450 8.683 8.240 -0.011 0.000 0.537 230 K N 8.409 129.017 120.400 0.346 0.000 2.171 230 K HA 0.049 4.790 4.320 0.701 0.000 0.274 230 K C 0.987 177.845 176.600 0.429 0.000 1.110 230 K CA -0.354 56.222 56.287 0.482 0.000 0.952 230 K CB -0.361 32.377 32.500 0.397 0.000 1.309 230 K HN 0.190 8.519 8.250 0.312 0.108 0.414 231 V N 6.243 126.386 119.914 0.383 0.000 2.392 231 V HA -0.524 3.882 4.120 0.477 0.000 0.249 231 V C 1.406 177.665 176.094 0.275 0.000 1.059 231 V CA 3.928 66.438 62.300 0.350 0.000 1.051 231 V CB -0.270 31.688 31.823 0.226 0.000 0.658 231 V HN 0.257 8.683 8.190 0.394 0.000 0.455 232 c N -3.323 115.375 118.600 0.164 0.000 2.410 232 c HA -0.238 4.380 4.570 0.079 0.000 0.281 232 c C 1.751 175.866 174.090 0.042 0.000 1.318 232 c CA 1.795 58.173 56.329 0.081 0.000 1.776 232 c CB -2.088 40.439 42.510 0.029 0.000 1.942 232 c HN 0.484 8.811 8.230 0.160 0.000 0.508 233 N N 0.952 119.649 118.700 -0.005 0.000 2.494 233 N HA -0.116 4.529 4.740 -0.158 0.000 0.182 233 N C 0.373 175.649 175.510 -0.389 0.000 1.076 233 N CA 1.352 54.254 53.050 -0.246 0.000 0.908 233 N CB -0.170 38.033 38.487 -0.473 0.000 0.967 233 N HN -0.398 7.993 8.380 0.079 0.036 0.449 234 Y N -4.737 115.634 120.300 0.118 0.000 2.584 234 Y HA 0.172 4.861 4.550 0.231 0.000 0.254 234 Y C -0.030 176.007 175.900 0.227 0.000 1.177 234 Y CA -0.700 57.527 58.100 0.211 0.000 1.216 234 Y CB -0.230 38.379 38.460 0.249 0.000 1.172 234 Y HN -0.151 8.076 8.280 0.213 0.181 0.529 235 V N 1.085 121.135 119.914 0.228 0.000 2.343 235 V HA -0.561 3.653 4.120 0.157 0.000 0.247 235 V C 1.324 177.489 176.094 0.118 0.000 1.051 235 V CA 4.924 67.314 62.300 0.149 0.000 1.036 235 V CB -0.578 31.295 31.823 0.083 0.000 0.654 235 V HN -0.829 7.458 8.190 0.161 0.000 0.451 236 S N -0.119 115.651 115.700 0.117 0.000 2.368 236 S HA -0.325 4.165 4.470 0.033 0.000 0.224 236 S C 1.752 176.422 174.600 0.117 0.000 1.029 236 S CA 3.170 61.419 58.200 0.083 0.000 0.988 236 S CB -0.451 62.795 63.200 0.077 0.000 0.838 236 S HN 0.101 8.479 8.310 0.114 0.000 0.462 237 W N 4.122 125.458 121.300 0.060 0.000 2.355 237 W HA -0.195 4.489 4.660 0.039 0.000 0.309 237 W C 1.655 178.188 176.519 0.024 0.000 1.206 237 W CA 3.063 60.453 57.345 0.076 0.000 1.284 237 W CB -0.078 29.511 29.460 0.215 0.000 1.145 237 W HN -0.392 8.015 8.180 0.378 0.000 0.502 238 I N -0.862 119.709 120.570 0.003 0.000 2.142 238 I HA -0.762 3.010 4.170 -0.662 0.000 0.240 238 I C 1.835 177.720 176.117 -0.386 0.000 1.078 238 I CA 4.511 65.629 61.300 -0.304 0.000 1.343 238 I CB -0.269 37.711 38.000 -0.034 0.000 1.046 238 I HN 0.324 8.724 8.210 0.317 0.000 0.405 239 K N -0.810 119.461 120.400 -0.215 0.000 2.032 239 K HA -0.438 3.733 4.320 -0.248 0.000 0.209 239 K C 2.815 179.264 176.600 -0.252 0.000 1.048 239 K CA 3.844 60.003 56.287 -0.213 0.000 0.927 239 K CB -0.346 32.088 32.500 -0.110 0.000 0.712 239 K HN -0.132 8.057 8.250 -0.101 0.000 0.441 240 Q N -2.109 117.554 119.800 -0.228 0.000 2.079 240 Q HA -0.277 3.967 4.340 -0.159 0.000 0.200 240 Q C 2.626 178.436 176.000 -0.317 0.000 0.974 240 Q CA 3.408 59.085 55.803 -0.210 0.000 0.840 240 Q CB 0.066 28.727 28.738 -0.128 0.000 0.898 240 Q HN 0.266 8.425 8.270 -0.185 0.000 0.430 241 T N 2.766 117.004 114.554 -0.527 0.000 2.746 241 T HA -0.259 3.847 4.350 -0.406 0.000 0.267 241 T C 2.288 176.657 174.700 -0.552 0.000 1.039 241 T CA 4.979 66.725 62.100 -0.590 0.000 1.142 241 T CB -0.159 68.082 68.868 -1.045 0.000 0.866 241 T HN 0.003 7.859 8.240 -0.640 0.000 0.444 242 I N 0.882 121.022 120.570 -0.715 0.000 2.252 242 I HA -0.426 2.994 4.170 -1.249 0.000 0.245 242 I C 1.732 177.618 176.117 -0.384 0.000 1.102 242 I CA 3.660 64.429 61.300 -0.885 0.000 1.385 242 I CB -0.396 36.983 38.000 -1.036 0.000 1.064 242 I HN 0.128 7.919 8.210 -0.697 0.000 0.414 243 A N -0.366 122.285 122.820 -0.282 0.000 2.019 243 A HA -0.206 4.050 4.320 -0.106 0.000 0.219 243 A C 1.312 178.844 177.584 -0.086 0.000 1.164 243 A CA 2.775 54.728 52.037 -0.141 0.000 0.644 243 A CB -0.462 18.466 19.000 -0.121 0.000 0.805 243 A HN 0.068 8.023 8.150 -0.325 0.000 0.449 244 S N -4.664 110.975 115.700 -0.102 0.000 2.577 244 S HA 0.101 4.557 4.470 -0.023 0.000 0.219 244 S C -0.647 173.958 174.600 0.009 0.000 0.962 244 S CA 0.662 58.837 58.200 -0.042 0.000 0.921 244 S CB 0.978 64.146 63.200 -0.053 0.000 0.789 244 S HN -0.371 7.719 8.310 -0.167 0.119 0.497 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.815 4.740 0.125 0.000 0.220 245 N CA 0.000 53.162 53.050 0.187 0.000 0.885 245 N CB 0.000 38.676 38.487 0.315 0.000 1.341 245 N HN 0.000 8.226 8.380 0.014 0.162 0.667