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 1xug_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 -0.020 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.016 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.071 0.000 1.214 17 V N 5.319 125.233 119.914 0.002 0.000 2.435 17 V HA 0.214 4.453 4.120 -0.016 -0.128 0.290 17 V C 0.726 176.822 176.094 0.004 0.000 1.030 17 V CA -1.807 60.492 62.300 -0.002 0.000 0.881 17 V CB 0.733 32.561 31.823 0.009 0.000 0.983 17 V HN 0.871 9.074 8.190 0.023 0.000 0.445 18 G N 7.256 116.052 108.800 -0.006 0.000 2.160 18 G HA2 -0.387 3.568 3.960 -0.009 0.000 0.251 18 G HA3 -0.387 3.730 3.960 -0.023 -0.171 0.251 18 G C -0.811 174.097 174.900 0.014 0.000 1.008 18 G CA 0.538 45.633 45.100 -0.008 0.000 0.724 18 G HN 0.834 9.118 8.290 -0.010 0.000 0.514 19 G N -1.036 107.769 108.800 0.009 0.000 2.606 19 G HA2 0.509 4.512 3.960 0.091 0.000 0.262 19 G HA3 0.509 4.497 3.960 -0.088 -0.080 0.262 19 G C -1.692 173.254 174.900 0.077 0.000 1.394 19 G CA -1.029 44.079 45.100 0.014 0.000 1.044 19 G HN -0.668 7.587 8.290 -0.011 0.029 0.553 20 Y N -6.099 114.182 120.300 -0.031 0.000 2.634 20 Y HA 0.402 4.935 4.550 -0.028 0.000 0.340 20 Y C -1.819 174.055 175.900 -0.043 0.000 1.058 20 Y CA -2.894 55.187 58.100 -0.031 0.000 1.081 20 Y CB 1.119 39.564 38.460 -0.026 0.000 1.295 20 Y HN 0.449 8.313 8.280 -0.512 0.109 0.487 21 T N 2.356 116.975 114.554 0.108 0.000 2.779 21 T HA 0.140 4.568 4.350 -0.097 -0.136 0.296 21 T C 0.244 174.975 174.700 0.051 0.000 0.938 21 T CA 0.739 62.842 62.100 0.006 0.000 1.119 21 T CB -0.051 68.845 68.868 0.047 0.000 0.891 21 T HN -0.008 8.352 8.240 0.201 0.000 0.526 22 c N 6.113 124.641 118.600 -0.119 0.000 2.413 22 c HA -0.091 4.487 4.570 0.014 0.000 0.276 22 c C 0.591 174.707 174.090 0.043 0.000 1.236 22 c CA 1.211 57.505 56.329 -0.057 0.000 1.735 22 c CB 0.030 42.431 42.510 -0.181 0.000 2.031 22 c HN 0.129 8.231 8.230 -0.212 0.000 0.474 23 G N -2.517 106.288 108.800 0.008 0.000 2.697 23 G HA2 -0.215 3.763 3.960 0.029 0.000 0.684 23 G HA3 -0.215 3.766 3.960 0.034 0.000 0.684 23 G C -1.947 172.955 174.900 0.003 0.000 1.274 23 G CA -0.825 44.289 45.100 0.023 0.000 0.806 23 G HN -0.506 7.769 8.290 -0.024 0.000 0.644 24 A N 2.382 125.211 122.820 0.016 0.000 2.524 24 A HA -0.193 4.355 4.320 0.025 -0.213 0.250 24 A C -0.224 177.366 177.584 0.010 0.000 1.078 24 A CA 0.840 52.889 52.037 0.020 0.000 0.761 24 A CB 0.136 19.155 19.000 0.031 0.000 1.012 24 A HN 0.263 8.426 8.150 0.023 0.000 0.500 25 N N -2.442 116.261 118.700 0.004 0.000 2.714 25 N HA -0.383 4.348 4.740 -0.015 0.000 0.250 25 N C 0.307 175.798 175.510 -0.031 0.000 1.117 25 N CA 1.584 54.629 53.050 -0.010 0.000 0.719 25 N CB -1.058 37.435 38.487 0.009 0.000 1.081 25 N HN 0.555 8.943 8.380 0.014 0.000 0.557 26 T N -3.942 110.585 114.554 -0.045 0.000 3.129 26 T HA 0.004 4.346 4.350 -0.013 0.000 0.251 26 T C -0.122 174.525 174.700 -0.088 0.000 1.117 26 T CA 1.828 63.906 62.100 -0.036 0.000 1.034 26 T CB 0.457 69.319 68.868 -0.009 0.000 0.968 26 T HN -0.518 7.663 8.240 -0.048 0.031 0.526 27 V N 2.301 122.099 119.914 -0.193 0.000 2.320 27 V HA 0.389 4.243 4.120 -0.444 0.000 0.257 27 V C -1.455 174.328 176.094 -0.518 0.000 0.996 27 V CA -3.556 58.468 62.300 -0.460 0.000 0.928 27 V CB 0.130 31.664 31.823 -0.481 0.000 1.169 27 V HN -0.426 7.596 8.190 -0.164 0.069 0.475 28 P HA 0.086 4.543 4.420 -0.086 -0.088 0.230 28 P C 0.225 177.483 177.300 -0.071 0.000 1.158 28 P CA 1.552 64.584 63.100 -0.114 0.000 0.769 28 P CB -0.104 31.600 31.700 0.007 0.000 0.807 29 Y N -5.981 114.345 120.300 0.043 0.000 2.482 29 Y HA 0.524 5.265 4.550 0.058 -0.156 0.270 29 Y C -0.534 175.404 175.900 0.063 0.000 1.152 29 Y CA -3.443 54.689 58.100 0.052 0.000 1.292 29 Y CB -1.216 37.271 38.460 0.045 0.000 1.070 29 Y HN -0.399 7.290 8.280 -0.876 0.065 0.528 30 Q N 2.781 122.449 119.800 -0.219 0.000 2.304 30 Q HA 0.250 4.783 4.340 0.085 -0.142 0.260 30 Q C -0.308 175.773 176.000 0.135 0.000 0.965 30 Q CA 0.018 55.802 55.803 -0.033 0.000 0.898 30 Q CB 1.170 29.778 28.738 -0.216 0.000 1.196 30 Q HN -0.581 7.224 8.270 -0.502 0.164 0.402 31 V N 1.286 121.317 119.914 0.195 0.000 3.001 31 V HA 0.865 5.227 4.120 0.188 -0.129 0.314 31 V C -2.020 174.223 176.094 0.248 0.000 1.099 31 V CA -3.479 58.932 62.300 0.185 0.000 0.989 31 V CB 3.793 35.675 31.823 0.097 0.000 1.040 31 V HN 0.376 8.676 8.190 0.185 0.000 0.434 32 S N 0.625 116.377 115.700 0.087 0.000 2.473 32 S HA 0.475 5.195 4.470 0.220 -0.118 0.307 32 S C -1.204 173.275 174.600 -0.201 0.000 1.094 32 S CA -2.086 56.106 58.200 -0.013 0.000 1.070 32 S CB 1.810 64.772 63.200 -0.396 0.000 1.019 32 S HN 0.221 8.539 8.310 0.014 0.000 0.480 33 L N 6.983 127.952 121.223 -0.424 0.000 2.272 33 L HA 0.549 4.790 4.340 -0.376 -0.127 0.289 33 L C -1.608 174.791 176.870 -0.785 0.000 1.032 33 L CA -0.849 53.601 54.840 -0.649 0.000 0.810 33 L CB 0.827 42.268 42.059 -1.030 0.000 1.205 33 L HN 0.738 8.681 8.230 -0.479 0.000 0.422 38 G N -0.022 108.666 108.800 -0.187 0.000 2.195 38 G HA2 -0.291 3.650 3.960 -0.031 0.000 0.224 38 G HA3 -0.291 3.723 3.960 0.090 0.000 0.224 38 G C -1.418 173.551 174.900 0.114 0.000 0.990 38 G CA 0.353 45.451 45.100 -0.003 0.000 0.639 38 G HN 0.268 8.731 8.290 -0.212 -0.300 0.514 39 Y N -6.897 113.376 120.300 -0.044 0.000 2.713 39 Y HA 0.256 4.767 4.550 -0.066 0.000 0.335 39 Y C -2.509 173.387 175.900 -0.007 0.000 1.222 39 Y CA -3.501 54.574 58.100 -0.042 0.000 1.061 39 Y CB 0.832 39.262 38.460 -0.050 0.000 1.314 39 Y HN -1.155 6.868 8.280 -0.439 -0.007 0.453 40 H N 1.800 120.828 119.070 -0.069 0.000 2.742 40 H HA 0.042 4.561 4.556 -0.326 -0.159 0.302 40 H C -0.691 174.634 175.328 -0.005 0.000 1.069 40 H CA -0.108 55.829 56.048 -0.185 0.000 1.446 40 H CB 0.375 30.006 29.762 -0.219 0.000 1.462 40 H HN 0.158 8.545 8.280 0.178 0.000 0.499 41 F N 1.552 121.072 119.950 -0.718 0.000 2.789 41 F HA 0.363 4.807 4.527 -0.139 0.000 0.320 41 F C -1.558 174.003 175.800 -0.399 0.000 1.079 41 F CA -0.471 57.301 58.000 -0.381 0.000 1.205 41 F CB 1.703 40.559 39.000 -0.241 0.000 1.046 41 F HN -0.073 7.556 8.300 -1.119 0.000 0.586 42 c N -2.076 115.855 118.600 -1.114 0.000 3.321 42 c HA 0.298 4.873 4.570 -0.190 -0.119 0.329 42 c C -1.587 172.307 174.090 -0.326 0.000 1.394 42 c CA -0.153 55.863 56.329 -0.522 0.000 1.291 42 c CB 4.015 46.283 42.510 -0.404 0.000 1.606 42 c HN -0.821 6.424 8.230 -1.641 0.000 0.463 43 G N -1.014 107.784 108.800 -0.003 0.000 2.705 43 G HA2 0.818 5.087 3.960 0.256 0.000 0.299 43 G HA3 0.818 4.912 3.960 0.222 0.000 0.299 43 G C -2.528 172.400 174.900 0.047 0.000 1.315 43 G CA -1.649 43.543 45.100 0.154 0.000 1.045 43 G HN 0.804 9.097 8.290 0.006 0.000 0.517 44 G N -4.074 104.786 108.800 0.099 0.000 2.506 44 G HA2 0.498 4.810 3.960 0.075 0.000 0.292 44 G HA3 0.498 4.490 3.960 0.054 0.000 0.292 44 G C -2.934 172.051 174.900 0.141 0.000 1.425 44 G CA 0.333 45.484 45.100 0.085 0.000 0.788 44 G HN -0.598 7.784 8.290 0.154 0.000 0.490 45 S N -0.487 115.302 115.700 0.149 0.000 2.521 45 S HA 0.835 5.672 4.470 0.270 -0.205 0.295 45 S C -1.358 173.346 174.600 0.174 0.000 1.098 45 S CA -0.928 57.395 58.200 0.204 0.000 0.999 45 S CB 3.811 67.119 63.200 0.179 0.000 1.034 45 S HN 0.326 8.711 8.310 0.125 0.000 0.483 46 L N 6.056 127.398 121.223 0.198 0.000 2.313 46 L HA 0.210 4.753 4.340 0.150 -0.114 0.282 46 L C -0.755 176.202 176.870 0.145 0.000 1.092 46 L CA -0.257 54.680 54.840 0.162 0.000 0.831 46 L CB 1.201 43.354 42.059 0.156 0.000 1.159 46 L HN 0.468 8.748 8.230 0.259 0.105 0.442 47 I N 0.424 121.076 120.570 0.137 0.000 4.057 47 I HA 0.514 4.884 4.170 0.072 -0.157 0.334 47 I C -0.942 175.234 176.117 0.098 0.000 1.308 47 I CA -0.636 60.722 61.300 0.097 0.000 1.125 47 I CB 0.765 38.811 38.000 0.077 0.000 1.034 47 I HN 0.244 8.553 8.210 0.165 0.000 0.401 48 N N -1.957 116.823 118.700 0.134 0.000 3.339 48 N HA 0.154 4.951 4.740 0.094 0.000 0.275 48 N C -0.930 174.660 175.510 0.135 0.000 1.514 48 N CA -0.539 52.587 53.050 0.126 0.000 0.879 48 N CB 0.588 39.158 38.487 0.138 0.000 1.557 48 N HN -0.919 7.556 8.380 0.159 0.000 0.524 49 S N -3.983 111.786 115.700 0.115 0.000 2.515 49 S HA -0.247 4.269 4.470 0.076 0.000 0.231 49 S C 0.739 175.378 174.600 0.065 0.000 0.987 49 S CA 2.603 60.853 58.200 0.083 0.000 0.936 49 S CB 0.031 63.267 63.200 0.061 0.000 0.766 49 S HN 0.311 8.687 8.310 0.109 0.000 0.528 50 Q N -0.374 119.483 119.800 0.095 0.000 2.164 50 Q HA 0.347 4.634 4.340 -0.089 0.000 0.226 50 Q C -2.099 173.784 176.000 -0.195 0.000 0.813 50 Q CA -0.282 55.479 55.803 -0.069 0.000 0.978 50 Q CB 2.821 31.486 28.738 -0.121 0.000 1.149 50 Q HN 0.100 8.793 8.270 0.196 -0.305 0.489 51 W N -2.096 119.213 121.300 0.015 0.000 2.844 51 W HA 0.753 5.624 4.660 0.013 -0.203 0.340 51 W C -1.348 175.188 176.519 0.028 0.000 1.093 51 W CA -1.133 56.221 57.345 0.014 0.000 1.212 51 W CB 3.695 33.155 29.460 0.000 0.000 1.422 51 W HN -0.279 8.236 8.180 0.293 -0.159 0.515 52 V N 0.484 120.564 119.914 0.276 0.000 2.823 52 V HA 0.836 5.243 4.120 0.176 -0.182 0.312 52 V C -1.486 174.726 176.094 0.196 0.000 1.072 52 V CA -1.787 60.623 62.300 0.185 0.000 0.937 52 V CB 3.976 35.865 31.823 0.110 0.000 1.013 52 V HN 0.879 9.248 8.190 0.299 0.000 0.430 53 V N 5.183 125.189 119.914 0.153 0.000 2.555 53 V HA 0.807 5.202 4.120 0.161 -0.179 0.302 53 V C -1.334 174.819 176.094 0.099 0.000 1.038 53 V CA -1.322 61.060 62.300 0.138 0.000 0.887 53 V CB 2.500 34.398 31.823 0.126 0.000 0.991 53 V HN 0.493 8.768 8.190 0.142 0.000 0.434 54 S N 4.208 119.953 115.700 0.074 0.000 2.973 54 S HA 0.568 5.287 4.470 0.034 -0.229 0.317 54 S C -2.056 172.533 174.600 -0.018 0.000 1.196 54 S CA -2.538 55.676 58.200 0.024 0.000 0.894 54 S CB 2.439 65.640 63.200 0.003 0.000 1.292 54 S HN 0.793 9.157 8.310 0.090 0.000 0.614 55 A N -0.559 122.207 122.820 -0.090 0.000 2.306 55 A HA 0.447 4.851 4.320 -0.111 -0.151 0.314 55 A C 0.401 177.848 177.584 -0.229 0.000 1.164 55 A CA -1.624 50.312 52.037 -0.167 0.000 0.822 55 A CB 1.616 20.444 19.000 -0.287 0.000 1.130 55 A HN 0.289 8.376 8.150 -0.106 0.000 0.496 56 A N 4.554 127.194 122.820 -0.300 0.000 2.019 56 A HA -0.231 3.920 4.320 -0.281 0.000 0.219 56 A C 1.129 178.451 177.584 -0.436 0.000 1.164 56 A CA 2.780 54.511 52.037 -0.509 0.000 0.644 56 A CB -0.327 17.955 19.000 -1.196 0.000 0.805 56 A HN 0.602 8.619 8.150 -0.266 -0.027 0.449 57 H N -5.559 113.353 119.070 -0.263 0.000 2.553 57 H HA -0.004 4.562 4.556 0.017 0.000 0.269 57 H C -0.107 175.265 175.328 0.073 0.000 1.011 57 H CA 0.865 56.905 56.048 -0.013 0.000 1.150 57 H CB -1.393 28.435 29.762 0.109 0.000 1.339 57 H HN -0.055 8.359 8.280 -0.197 -0.252 0.604 58 c N -1.765 116.729 118.600 -0.177 0.000 2.791 58 c HA 0.046 4.676 4.570 0.099 0.000 0.270 58 c C 0.297 174.466 174.090 0.132 0.000 1.257 58 c CA 0.073 56.407 56.329 0.009 0.000 1.699 58 c CB -1.253 41.225 42.510 -0.054 0.000 1.904 58 c HN -0.100 7.778 8.230 -0.244 0.206 0.603 59 Y N 3.088 123.380 120.300 -0.013 0.000 2.712 59 Y HA -0.255 4.310 4.550 0.024 0.000 0.333 59 Y C -1.007 174.872 175.900 -0.036 0.000 1.225 59 Y CA 2.100 60.197 58.100 -0.004 0.000 1.499 59 Y CB 0.739 39.184 38.460 -0.026 0.000 1.288 59 Y HN -0.617 7.568 8.280 0.127 0.171 0.575 60 K N 5.829 125.545 120.400 -1.141 0.000 2.711 60 K HA 0.198 4.100 4.320 -0.697 0.000 0.294 60 K C -2.397 173.686 176.600 -0.861 0.000 1.037 60 K CA -0.819 54.959 56.287 -0.848 0.000 0.858 60 K CB 2.211 34.370 32.500 -0.569 0.000 1.521 60 K HN -0.122 7.314 8.250 -1.356 0.000 0.386 61 S N -0.692 114.717 115.700 -0.485 0.000 2.713 61 S HA 0.179 4.465 4.470 -0.308 0.000 0.283 61 S C 0.568 175.032 174.600 -0.227 0.000 1.161 61 S CA -0.612 57.413 58.200 -0.291 0.000 0.999 61 S CB 1.247 64.365 63.200 -0.136 0.000 1.039 61 S HN -0.195 7.898 8.310 -0.361 0.000 0.548 62 G N -0.062 108.647 108.800 -0.151 0.000 2.289 62 G HA2 -0.248 3.657 3.960 -0.092 0.000 0.280 62 G HA3 -0.248 3.636 3.960 -0.127 0.000 0.280 62 G C -1.630 173.197 174.900 -0.122 0.000 1.089 62 G CA 0.153 45.179 45.100 -0.123 0.000 0.939 62 G HN 0.309 8.525 8.290 -0.123 0.000 0.499 63 I N -1.189 119.323 120.570 -0.097 0.000 2.353 63 I HA 0.086 4.379 4.170 0.002 -0.122 0.293 63 I C -1.964 174.115 176.117 -0.063 0.000 0.992 63 I CA -1.081 60.196 61.300 -0.039 0.000 1.268 63 I CB 1.222 39.222 38.000 0.001 0.000 1.387 63 I HN -0.525 7.624 8.210 -0.102 0.000 0.478 64 Q N 7.207 126.956 119.800 -0.085 0.000 2.333 64 Q HA 0.468 4.856 4.340 -0.085 -0.100 0.267 64 Q C -1.680 174.232 176.000 -0.147 0.000 1.012 64 Q CA -1.428 54.305 55.803 -0.118 0.000 0.824 64 Q CB 3.600 32.235 28.738 -0.172 0.000 1.290 64 Q HN 0.433 8.658 8.270 -0.075 0.000 0.449 65 V N 7.359 127.209 119.914 -0.106 0.000 2.407 65 V HA 0.296 4.463 4.120 -0.132 -0.126 0.278 65 V C -1.171 174.877 176.094 -0.076 0.000 1.037 65 V CA -0.794 61.449 62.300 -0.094 0.000 0.900 65 V CB 0.475 32.272 31.823 -0.043 0.000 0.983 65 V HN 1.058 9.102 8.190 -0.073 0.102 0.459 66 R N 6.646 127.078 120.500 -0.112 0.000 2.288 66 R HA 0.557 5.119 4.340 0.110 -0.157 0.326 66 R C -0.849 175.482 176.300 0.053 0.000 0.959 66 R CA -1.191 54.882 56.100 -0.046 0.000 0.834 66 R CB 1.516 31.641 30.300 -0.292 0.000 1.157 66 R HN 0.877 9.062 8.270 -0.142 0.000 0.470 70 E N -0.217 120.079 120.200 0.160 0.000 2.319 70 E HA 0.190 4.620 4.350 0.134 0.000 0.268 70 E C -1.711 175.073 176.600 0.306 0.000 1.050 70 E CA 0.074 56.587 56.400 0.189 0.000 0.878 70 E CB 1.416 31.165 29.700 0.081 0.000 1.066 70 E HN -0.562 7.865 8.360 0.179 0.040 0.406 71 D N 0.967 121.525 120.400 0.264 0.000 2.957 71 D HA 0.055 4.912 4.640 0.361 0.000 0.175 71 D C -1.189 175.305 176.300 0.323 0.000 1.502 71 D CA 1.053 55.223 54.000 0.284 0.000 1.524 71 D CB 2.369 43.252 40.800 0.137 0.000 1.300 71 D HN 0.129 8.603 8.370 0.174 0.000 0.241 72 N N 1.094 119.894 118.700 0.167 0.000 2.406 72 N HA 0.204 5.174 4.740 0.167 -0.130 0.251 72 N C 2.204 177.720 175.510 0.009 0.000 1.069 72 N CA -0.728 52.389 53.050 0.112 0.000 0.947 72 N CB 0.479 39.009 38.487 0.072 0.000 1.111 72 N HN -0.639 8.060 8.380 0.124 -0.245 0.497 73 I N 1.349 121.837 120.570 -0.138 0.000 3.176 73 I HA -0.180 3.964 4.170 -0.288 -0.147 0.275 73 I C -0.423 175.608 176.117 -0.144 0.000 1.298 73 I CA 1.607 62.723 61.300 -0.307 0.000 1.445 73 I CB -0.706 36.874 38.000 -0.700 0.000 1.075 73 I HN 0.362 8.501 8.210 -0.117 0.000 0.482 74 N N -2.446 116.217 118.700 -0.063 0.000 2.236 74 N HA 0.115 4.838 4.740 -0.029 0.000 0.196 74 N C -0.975 174.541 175.510 0.010 0.000 1.114 74 N CA 0.104 53.142 53.050 -0.020 0.000 0.859 74 N CB 1.999 40.484 38.487 -0.004 0.000 0.982 74 N HN -0.116 8.518 8.380 -0.042 -0.278 0.493 75 V N 0.308 120.234 119.914 0.019 0.000 2.638 75 V HA 0.051 4.188 4.120 0.028 0.000 0.306 75 V C -1.430 174.687 176.094 0.038 0.000 1.052 75 V CA -1.087 61.230 62.300 0.029 0.000 0.885 75 V CB 3.252 35.092 31.823 0.027 0.000 0.999 75 V HN -0.816 7.402 8.190 0.011 -0.021 0.424 76 V N 7.476 127.409 119.914 0.032 0.000 2.389 76 V HA -0.152 4.204 4.120 0.025 -0.221 0.264 76 V C 0.132 176.224 176.094 -0.003 0.000 1.049 76 V CA 0.549 62.855 62.300 0.010 0.000 0.932 76 V CB -0.185 31.625 31.823 -0.022 0.000 1.011 76 V HN 0.307 8.513 8.190 0.027 0.000 0.475 77 E N 8.053 128.253 120.200 0.001 0.000 2.431 77 E HA 0.120 4.472 4.350 0.003 0.000 0.200 77 E C -0.114 176.480 176.600 -0.009 0.000 0.995 77 E CA -0.291 56.111 56.400 0.003 0.000 0.915 77 E CB 0.774 30.487 29.700 0.021 0.000 0.930 77 E HN 0.310 9.098 8.360 0.008 -0.424 0.496 78 G N -0.111 108.673 108.800 -0.026 0.000 2.576 78 G HA2 -0.212 3.712 3.960 -0.060 0.000 0.686 78 G HA3 -0.212 3.733 3.960 -0.026 0.000 0.686 78 G C -1.757 173.127 174.900 -0.027 0.000 1.242 78 G CA -0.732 44.346 45.100 -0.037 0.000 0.819 78 G HN -0.482 8.056 8.290 -0.032 -0.268 0.655 79 N N -3.913 114.765 118.700 -0.036 0.000 2.980 79 N HA -0.268 4.460 4.740 -0.020 0.000 0.213 79 N C -1.038 174.459 175.510 -0.021 0.000 0.892 79 N CA 1.283 54.322 53.050 -0.019 0.000 1.025 79 N CB -0.229 38.262 38.487 0.006 0.000 1.030 79 N HN 0.153 8.502 8.380 -0.050 0.000 0.585 80 E N -1.015 119.151 120.200 -0.058 0.000 2.366 80 E HA 0.192 4.808 4.350 0.037 -0.244 0.266 80 E C -0.186 176.333 176.600 -0.135 0.000 1.051 80 E CA 0.446 56.809 56.400 -0.061 0.000 0.884 80 E CB 0.562 30.171 29.700 -0.152 0.000 1.006 80 E HN -0.205 8.016 8.360 -0.080 0.090 0.417 81 Q N 1.417 121.210 119.800 -0.012 0.000 2.274 81 Q HA 0.269 4.545 4.340 -0.107 0.000 0.268 81 Q C -1.557 174.581 176.000 0.231 0.000 1.015 81 Q CA -1.146 54.657 55.803 0.000 0.000 0.775 81 Q CB 3.095 31.851 28.738 0.030 0.000 1.256 81 Q HN 0.111 8.448 8.270 0.112 0.000 0.442 82 F N 3.398 123.329 119.950 -0.032 0.000 2.402 82 F HA 0.852 5.520 4.527 -0.047 -0.169 0.355 82 F C -0.003 175.773 175.800 -0.039 0.000 1.123 82 F CA -3.018 54.958 58.000 -0.041 0.000 1.021 82 F CB 1.222 40.196 39.000 -0.044 0.000 1.160 82 F HN 0.297 8.625 8.300 0.046 0.000 0.451 83 I N 3.706 124.349 120.570 0.123 0.000 2.545 83 I HA 0.287 4.485 4.170 0.046 0.000 0.292 83 I C -1.063 175.053 176.117 -0.003 0.000 1.040 83 I CA -1.381 59.944 61.300 0.042 0.000 1.068 83 I CB 4.080 42.090 38.000 0.018 0.000 1.251 83 I HN 0.900 9.169 8.210 0.099 0.000 0.424 84 S N 5.598 121.287 115.700 -0.017 0.000 2.603 84 S HA 0.170 4.717 4.470 -0.047 -0.105 0.268 84 S C -0.589 173.976 174.600 -0.058 0.000 1.317 84 S CA 0.559 58.735 58.200 -0.040 0.000 1.012 84 S CB 1.069 64.247 63.200 -0.037 0.000 0.926 84 S HN 0.473 8.777 8.310 -0.009 0.000 0.539 85 A N 2.741 125.523 122.820 -0.064 0.000 2.363 85 A HA 0.153 4.509 4.320 -0.096 -0.094 0.270 85 A C -0.384 177.151 177.584 -0.081 0.000 1.121 85 A CA -0.254 51.737 52.037 -0.077 0.000 0.800 85 A CB 0.590 19.556 19.000 -0.057 0.000 1.052 85 A HN 0.054 8.168 8.150 -0.060 0.000 0.493 86 S N 3.456 119.088 115.700 -0.114 0.000 2.427 86 S HA 0.075 4.503 4.470 -0.069 0.000 0.224 86 S C 0.428 174.986 174.600 -0.069 0.000 1.047 86 S CA 1.192 59.335 58.200 -0.095 0.000 0.953 86 S CB 0.964 64.087 63.200 -0.128 0.000 0.824 86 S HN 0.850 8.948 8.310 -0.161 0.116 0.502 87 K N 0.178 120.528 120.400 -0.083 0.000 2.551 87 K HA 0.286 4.621 4.320 0.025 0.000 0.269 87 K C -2.331 174.288 176.600 0.033 0.000 0.949 87 K CA -0.594 55.689 56.287 -0.007 0.000 0.849 87 K CB 3.475 35.978 32.500 0.004 0.000 1.411 87 K HN -0.773 7.391 8.250 -0.144 0.000 0.432 88 S N 1.750 117.526 115.700 0.126 0.000 2.502 88 S HA 0.647 5.368 4.470 0.163 -0.153 0.304 88 S C -0.814 173.914 174.600 0.213 0.000 1.097 88 S CA -0.437 57.882 58.200 0.198 0.000 1.045 88 S CB 2.382 65.761 63.200 0.298 0.000 1.019 88 S HN 0.201 8.601 8.310 0.150 0.000 0.481 89 I N 7.710 128.413 120.570 0.222 0.000 2.405 89 I HA 0.112 4.373 4.170 0.152 0.000 0.280 89 I C -1.585 174.666 176.117 0.223 0.000 1.027 89 I CA -0.834 60.591 61.300 0.208 0.000 1.161 89 I CB 1.316 39.457 38.000 0.235 0.000 1.300 89 I HN 1.082 9.329 8.210 0.244 0.109 0.463 90 V N 7.862 127.841 119.914 0.109 0.000 2.649 90 V HA -0.139 4.018 4.120 0.061 0.000 0.292 90 V C -0.315 175.852 176.094 0.122 0.000 1.055 90 V CA -0.633 61.697 62.300 0.050 0.000 1.023 90 V CB 0.899 32.658 31.823 -0.107 0.000 0.992 90 V HN 0.363 8.575 8.190 0.038 0.000 0.480 91 H N 8.921 127.978 119.070 -0.023 0.000 3.070 91 H HA -0.056 4.389 4.556 -0.185 0.000 0.313 91 H C -0.321 174.985 175.328 -0.038 0.000 0.997 91 H CA 0.172 56.098 56.048 -0.204 0.000 1.438 91 H CB 1.489 30.947 29.762 -0.508 0.000 1.455 91 H HN -0.223 8.097 8.280 0.067 0.000 0.575 92 P HA -0.136 4.297 4.420 0.021 0.000 0.217 92 P C -0.410 176.946 177.300 0.093 0.000 1.148 92 P CA 1.620 64.701 63.100 -0.033 0.000 0.828 92 P CB 0.282 31.940 31.700 -0.069 0.000 0.783 93 S N -3.889 111.976 115.700 0.275 0.000 2.614 93 S HA 0.004 4.534 4.470 0.101 0.000 0.230 93 S C -0.487 174.205 174.600 0.153 0.000 0.952 93 S CA 0.013 58.335 58.200 0.203 0.000 0.949 93 S CB 0.373 63.689 63.200 0.194 0.000 0.786 93 S HN -0.387 8.191 8.310 0.493 0.028 0.478 94 Y N 3.830 124.177 120.300 0.077 0.000 2.620 94 Y HA -0.252 4.456 4.550 -0.055 -0.191 0.330 94 Y C -0.790 175.098 175.900 -0.021 0.000 1.186 94 Y CA 1.006 59.102 58.100 -0.008 0.000 1.467 94 Y CB 0.464 38.925 38.460 0.002 0.000 1.262 94 Y HN -0.679 7.623 8.280 0.337 0.180 0.550 95 N N 7.512 125.827 118.700 -0.641 0.000 2.479 95 N HA 0.201 4.649 4.740 -0.486 0.000 0.261 95 N C -0.243 174.744 175.510 -0.872 0.000 0.979 95 N CA -1.182 51.518 53.050 -0.585 0.000 0.930 95 N CB 1.970 40.281 38.487 -0.293 0.000 1.172 95 N HN -0.235 7.877 8.380 -0.446 0.000 0.499 96 S N 6.662 121.851 115.700 -0.853 0.000 2.515 96 S HA -0.056 4.050 4.470 -0.608 0.000 0.231 96 S C 0.583 175.005 174.600 -0.298 0.000 0.987 96 S CA 2.212 60.085 58.200 -0.544 0.000 0.936 96 S CB -0.133 62.922 63.200 -0.241 0.000 0.766 96 S HN 0.627 8.537 8.310 -0.666 0.000 0.528 97 N N 1.906 120.434 118.700 -0.287 0.000 2.336 97 N HA 0.065 4.685 4.740 -0.201 0.000 0.177 97 N C 1.096 176.439 175.510 -0.278 0.000 1.018 97 N CA 2.211 55.124 53.050 -0.227 0.000 0.878 97 N CB 0.674 39.057 38.487 -0.175 0.000 0.997 97 N HN 0.223 8.639 8.380 -0.315 -0.225 0.433 98 T N -4.437 109.944 114.554 -0.288 0.000 3.014 98 T HA 0.073 4.206 4.350 -0.361 0.000 0.250 98 T C 0.072 174.550 174.700 -0.370 0.000 1.060 98 T CA 0.492 62.405 62.100 -0.312 0.000 1.040 98 T CB 2.031 70.775 68.868 -0.207 0.000 0.971 98 T HN -0.153 8.220 8.240 -0.283 -0.303 0.497 99 L N -2.531 118.510 121.223 -0.303 0.000 4.089 99 L HA -0.448 3.963 4.340 -0.019 -0.082 0.408 99 L C -1.601 175.271 176.870 0.003 0.000 1.184 99 L CA 0.430 55.189 54.840 -0.135 0.000 0.947 99 L CB -3.282 38.609 42.059 -0.280 0.000 2.066 99 L HN -0.010 7.982 8.230 -0.325 0.044 0.851 100 N N -0.635 118.031 118.700 -0.057 0.000 2.530 100 N HA -0.169 4.606 4.740 0.059 0.000 0.273 100 N C 0.030 175.569 175.510 0.048 0.000 1.173 100 N CA 0.501 53.556 53.050 0.010 0.000 0.967 100 N CB 1.234 39.702 38.487 -0.032 0.000 1.109 100 N HN -0.692 7.556 8.380 -0.150 0.042 0.453 101 N N -0.946 117.780 118.700 0.043 0.000 2.756 101 N HA -0.468 4.187 4.740 -0.143 0.000 0.248 101 N C -1.453 174.019 175.510 -0.063 0.000 1.062 101 N CA 1.367 54.342 53.050 -0.124 0.000 0.696 101 N CB -1.554 36.734 38.487 -0.332 0.000 0.946 101 N HN 0.624 9.056 8.380 0.088 0.000 0.548 102 D N -1.038 119.374 120.400 0.019 0.000 2.551 102 D HA 0.060 4.709 4.640 0.014 0.000 0.223 102 D C -1.681 174.530 176.300 -0.148 0.000 1.144 102 D CA -0.415 53.601 54.000 0.027 0.000 1.025 102 D CB -0.660 40.252 40.800 0.187 0.000 1.085 102 D HN -0.107 8.290 8.370 0.045 0.000 0.506 103 I N 2.656 123.071 120.570 -0.257 0.000 2.802 103 I HA 0.554 4.805 4.170 -0.138 -0.164 0.298 103 I C -3.085 172.979 176.117 -0.089 0.000 1.176 103 I CA -1.370 59.800 61.300 -0.216 0.000 1.025 103 I CB 4.252 41.987 38.000 -0.441 0.000 1.243 103 I HN -0.076 7.933 8.210 -0.267 0.041 0.424 104 M N 6.721 126.338 119.600 0.029 0.000 2.433 104 M HA 0.694 5.464 4.480 0.206 -0.166 0.290 104 M C -2.725 173.699 176.300 0.207 0.000 1.173 104 M CA -1.084 54.297 55.300 0.134 0.000 0.905 104 M CB 4.775 37.410 32.600 0.059 0.000 1.692 104 M HN 0.673 8.891 8.290 0.023 0.086 0.462 105 L N 3.888 125.277 121.223 0.278 0.000 2.317 105 L HA 0.832 5.500 4.340 0.267 -0.168 0.281 105 L C -1.290 175.768 176.870 0.312 0.000 1.024 105 L CA -1.380 53.641 54.840 0.301 0.000 0.810 105 L CB 2.742 44.969 42.059 0.281 0.000 1.240 105 L HN 0.510 8.929 8.230 0.315 0.000 0.427 106 I N 1.309 122.047 120.570 0.280 0.000 2.436 106 I HA 0.535 4.923 4.170 0.094 -0.161 0.289 106 I C -1.650 174.424 176.117 -0.072 0.000 1.010 106 I CA -1.321 60.043 61.300 0.106 0.000 1.098 106 I CB 3.135 41.169 38.000 0.057 0.000 1.266 106 I HN 1.031 9.326 8.210 0.314 0.103 0.434 107 K N 6.758 126.928 120.400 -0.384 0.000 2.159 107 K HA 0.682 4.393 4.320 -1.284 -0.162 0.266 107 K C -1.146 175.172 176.600 -0.470 0.000 0.975 107 K CA -1.878 53.844 56.287 -0.942 0.000 0.865 107 K CB 3.062 34.831 32.500 -1.220 0.000 1.087 107 K HN 0.673 8.777 8.250 -0.243 0.000 0.446 108 L N 4.754 125.728 121.223 -0.415 0.000 2.375 108 L HA 0.226 4.584 4.340 -0.165 -0.117 0.271 108 L C 1.612 178.365 176.870 -0.195 0.000 1.107 108 L CA -0.106 54.603 54.840 -0.218 0.000 0.806 108 L CB 0.455 42.429 42.059 -0.142 0.000 1.146 108 L HN 0.860 8.661 8.230 -0.539 0.106 0.447 109 K N 3.037 123.363 120.400 -0.124 0.000 2.057 109 K HA -0.325 3.929 4.320 -0.109 0.000 0.207 109 K C -0.528 176.023 176.600 -0.082 0.000 1.049 109 K CA 2.614 58.844 56.287 -0.095 0.000 0.931 109 K CB 0.410 32.873 32.500 -0.061 0.000 0.714 109 K HN 0.432 8.621 8.250 -0.101 0.000 0.440 110 S N -3.316 112.343 115.700 -0.067 0.000 2.632 110 S HA 0.091 4.530 4.470 -0.051 0.000 0.289 110 S C -1.930 172.642 174.600 -0.047 0.000 1.115 110 S CA -0.938 57.233 58.200 -0.049 0.000 0.889 110 S CB 2.817 66.000 63.200 -0.028 0.000 1.116 110 S HN -0.414 7.858 8.310 -0.063 0.000 0.486 111 A N -0.230 122.573 122.820 -0.030 0.000 2.351 111 A HA 0.045 4.492 4.320 -0.026 -0.143 0.257 111 A C -0.533 177.050 177.584 -0.001 0.000 1.087 111 A CA -0.046 51.982 52.037 -0.015 0.000 0.798 111 A CB 0.821 19.822 19.000 0.003 0.000 1.033 111 A HN 0.113 8.249 8.150 -0.024 0.000 0.488 112 A N 0.640 123.467 122.820 0.011 0.000 2.304 112 A HA 0.224 4.617 4.320 0.014 -0.064 0.271 112 A C -0.492 177.105 177.584 0.022 0.000 1.091 112 A CA -1.344 50.705 52.037 0.020 0.000 0.812 112 A CB 1.405 20.425 19.000 0.034 0.000 1.056 112 A HN 0.363 8.415 8.150 0.014 0.107 0.489 113 S N 0.597 116.309 115.700 0.019 0.000 2.411 113 S HA 0.083 4.563 4.470 0.017 0.000 0.294 113 S C -0.504 174.110 174.600 0.025 0.000 1.115 113 S CA -0.524 57.686 58.200 0.017 0.000 1.071 113 S CB 0.318 63.522 63.200 0.007 0.000 0.967 113 S HN 0.038 8.697 8.310 0.016 -0.339 0.488 114 L N 6.478 127.719 121.223 0.030 0.000 2.371 114 L HA 0.143 4.645 4.340 0.042 -0.137 0.272 114 L C -0.288 176.601 176.870 0.031 0.000 1.124 114 L CA 0.021 54.884 54.840 0.037 0.000 0.816 114 L CB 0.275 42.361 42.059 0.044 0.000 1.129 114 L HN 0.182 8.430 8.230 0.029 0.000 0.448 115 N N 3.459 122.179 118.700 0.033 0.000 3.588 115 N HA 0.151 4.906 4.740 0.025 0.000 0.340 115 N C -1.395 174.134 175.510 0.031 0.000 1.609 115 N CA -0.661 52.405 53.050 0.027 0.000 0.811 115 N CB 1.197 39.696 38.487 0.019 0.000 2.184 115 N HN 0.443 8.732 8.380 0.039 0.114 0.577 116 S N -3.387 112.329 115.700 0.027 0.000 2.522 116 S HA -0.105 4.387 4.470 0.036 0.000 0.227 116 S C 0.452 175.070 174.600 0.029 0.000 0.986 116 S CA 2.218 60.436 58.200 0.029 0.000 0.929 116 S CB 0.156 63.370 63.200 0.024 0.000 0.769 116 S HN 0.009 8.332 8.310 0.022 0.000 0.529 117 R N -1.260 119.256 120.500 0.026 0.000 2.237 117 R HA 0.189 4.539 4.340 0.017 0.000 0.195 117 R C -1.136 175.182 176.300 0.030 0.000 0.956 117 R CA -0.230 55.883 56.100 0.023 0.000 1.029 117 R CB 1.126 31.438 30.300 0.020 0.000 0.972 117 R HN 0.053 8.630 8.270 0.024 -0.293 0.493 118 V N -1.241 118.696 119.914 0.039 0.000 2.380 118 V HA 0.262 4.596 4.120 0.054 -0.182 0.286 118 V C -2.090 174.044 176.094 0.066 0.000 1.015 118 V CA -1.018 61.313 62.300 0.052 0.000 0.834 118 V CB 1.853 33.705 31.823 0.048 0.000 1.009 118 V HN -0.249 8.111 8.190 0.036 -0.148 0.428 119 A N 7.257 130.131 122.820 0.091 0.000 2.515 119 A HA 0.620 4.992 4.320 0.087 0.000 0.296 119 A C -2.873 174.803 177.584 0.153 0.000 1.094 119 A CA -1.704 50.398 52.037 0.109 0.000 0.718 119 A CB 2.966 22.032 19.000 0.110 0.000 1.307 119 A HN 0.167 8.255 8.150 0.095 0.119 0.408 120 S N -0.821 114.955 115.700 0.127 0.000 2.672 120 S HA 0.719 5.427 4.470 0.168 -0.138 0.276 120 S C -0.723 173.934 174.600 0.096 0.000 1.207 120 S CA -2.324 55.953 58.200 0.129 0.000 1.002 120 S CB 1.514 64.769 63.200 0.093 0.000 0.998 120 S HN -0.034 8.336 8.310 0.099 0.000 0.542 121 I N 0.603 121.190 120.570 0.027 0.000 2.648 121 I HA 0.242 4.341 4.170 -0.118 0.000 0.304 121 I C -1.453 174.620 176.117 -0.074 0.000 1.009 121 I CA -2.070 59.149 61.300 -0.135 0.000 1.114 121 I CB 3.109 40.822 38.000 -0.478 0.000 1.293 121 I HN 0.260 8.503 8.210 0.055 0.000 0.449 122 S N 5.627 121.277 115.700 -0.082 0.000 2.586 122 S HA 0.256 4.712 4.470 -0.023 0.000 0.274 122 S C -0.511 174.063 174.600 -0.043 0.000 1.281 122 S CA -0.683 57.490 58.200 -0.044 0.000 1.035 122 S CB 0.607 63.785 63.200 -0.036 0.000 0.962 122 S HN 0.266 8.510 8.310 -0.110 0.000 0.512 123 L N 3.019 124.232 121.223 -0.017 0.000 2.418 123 L HA 0.208 4.551 4.340 0.005 0.000 0.265 123 L C -1.121 175.748 176.870 -0.002 0.000 1.143 123 L CA -2.127 52.714 54.840 0.002 0.000 0.809 123 L CB 0.211 42.280 42.059 0.017 0.000 1.124 123 L HN 0.286 8.508 8.230 -0.013 0.000 0.456 124 P HA 0.125 4.536 4.420 -0.015 0.000 0.276 124 P C -1.227 176.074 177.300 0.002 0.000 1.252 124 P CA -0.703 62.395 63.100 -0.003 0.000 0.802 124 P CB 0.791 32.489 31.700 -0.003 0.000 1.035 128 c N 0.380 118.957 118.600 -0.038 0.000 2.639 128 c HA 0.019 4.555 4.570 -0.057 0.000 0.360 128 c C -0.027 174.007 174.090 -0.094 0.000 1.351 128 c CA -0.608 55.683 56.329 -0.062 0.000 2.408 128 c CB 0.229 42.706 42.510 -0.054 0.000 2.517 128 c HN -0.026 8.185 8.230 -0.032 0.000 0.696 129 A N 0.569 123.296 122.820 -0.155 0.000 2.295 129 A HA 0.121 4.366 4.320 -0.125 0.000 0.318 129 A C -0.943 176.535 177.584 -0.177 0.000 1.134 129 A CA -0.467 51.466 52.037 -0.173 0.000 0.827 129 A CB 1.364 20.220 19.000 -0.240 0.000 1.136 129 A HN 0.231 8.264 8.150 -0.195 0.000 0.493 133 G N 1.420 110.175 108.800 -0.074 0.000 2.268 133 G HA2 -0.267 3.658 3.960 -0.060 0.000 0.240 133 G HA3 -0.267 3.663 3.960 -0.051 0.000 0.240 133 G C 0.360 175.218 174.900 -0.071 0.000 1.010 133 G CA 0.009 45.071 45.100 -0.063 0.000 0.618 133 G HN 0.757 8.890 8.290 -0.079 0.110 0.516 134 T N 3.462 117.962 114.554 -0.091 0.000 2.928 134 T HA -0.197 4.111 4.350 -0.070 0.000 0.305 134 T C -1.082 173.565 174.700 -0.089 0.000 1.035 134 T CA 2.531 64.576 62.100 -0.091 0.000 1.145 134 T CB 0.493 69.287 68.868 -0.123 0.000 0.963 134 T HN -0.608 7.482 8.240 -0.105 0.087 0.545 135 Q N 6.048 125.812 119.800 -0.060 0.000 2.256 135 Q HA 0.138 4.566 4.340 -0.053 -0.120 0.254 135 Q C -1.371 174.606 176.000 -0.039 0.000 0.916 135 Q CA -0.002 55.776 55.803 -0.041 0.000 0.932 135 Q CB 1.580 30.312 28.738 -0.010 0.000 1.207 135 Q HN 0.222 8.462 8.270 -0.051 0.000 0.426 136 c N 4.168 122.745 118.600 -0.038 0.000 2.913 136 c HA 0.680 5.356 4.570 -0.024 -0.120 0.322 136 c C -1.714 172.380 174.090 0.007 0.000 1.292 136 c CA -1.520 54.790 56.329 -0.030 0.000 1.649 136 c CB 4.022 46.491 42.510 -0.069 0.000 2.139 136 c HN 0.956 9.046 8.230 -0.043 0.115 0.475 137 L N 0.964 122.201 121.223 0.022 0.000 2.313 137 L HA 0.860 5.406 4.340 0.058 -0.172 0.283 137 L C -2.216 174.674 176.870 0.033 0.000 1.013 137 L CA -1.296 53.573 54.840 0.050 0.000 0.816 137 L CB 3.091 45.201 42.059 0.086 0.000 1.236 137 L HN 0.669 8.799 8.230 0.015 0.110 0.419 138 I N 7.444 128.020 120.570 0.010 0.000 2.530 138 I HA 0.867 5.283 4.170 0.033 -0.227 0.297 138 I C -1.337 174.753 176.117 -0.045 0.000 1.011 138 I CA -1.533 59.772 61.300 0.008 0.000 1.107 138 I CB 2.855 40.866 38.000 0.018 0.000 1.285 138 I HN 0.943 9.160 8.210 0.011 0.000 0.436 139 S N 2.027 117.691 115.700 -0.059 0.000 2.651 139 S HA 1.057 5.556 4.470 -0.226 -0.164 0.279 139 S C -1.159 173.321 174.600 -0.200 0.000 1.148 139 S CA -1.750 56.336 58.200 -0.190 0.000 0.837 139 S CB 3.783 66.826 63.200 -0.261 0.000 1.138 139 S HN -0.198 8.110 8.310 -0.003 0.000 0.478 140 G N -1.650 106.931 108.800 -0.366 0.000 2.336 140 G HA2 0.095 3.794 3.960 -0.435 0.000 0.300 140 G HA3 0.095 4.142 3.960 -0.065 -0.126 0.300 140 G C -2.274 172.398 174.900 -0.380 0.000 1.375 140 G CA 0.467 45.377 45.100 -0.316 0.000 0.885 140 G HN 0.173 8.180 8.290 -0.471 0.000 0.599 141 W N 1.090 122.333 121.300 -0.095 0.000 3.015 141 W HA 0.338 4.940 4.660 -0.096 0.000 0.429 141 W C -0.290 176.265 176.519 0.060 0.000 0.976 141 W CA -0.988 56.267 57.345 -0.150 0.000 2.086 141 W CB -0.003 29.144 29.460 -0.521 0.000 1.125 141 W HN 0.584 8.927 8.180 0.272 0.000 0.721 142 G N 0.766 109.732 108.800 0.277 0.000 2.588 142 G HA2 -0.011 4.256 3.960 0.513 0.000 0.278 142 G HA3 -0.011 4.278 3.960 0.247 -0.180 0.278 142 G C -1.045 173.915 174.900 0.100 0.000 1.307 142 G CA -0.824 44.459 45.100 0.306 0.000 1.016 142 G HN -0.406 8.156 8.290 0.168 -0.171 0.503 143 N N -1.210 117.443 118.700 -0.079 0.000 2.345 143 N HA -0.266 4.227 4.740 -0.774 -0.217 0.243 143 N C 0.527 175.936 175.510 -0.169 0.000 1.246 143 N CA 0.889 53.701 53.050 -0.396 0.000 0.863 143 N CB 0.753 39.020 38.487 -0.366 0.000 1.096 143 N HN 0.080 8.501 8.380 0.067 0.000 0.446 144 T N -1.644 112.806 114.554 -0.173 0.000 3.085 144 T HA 0.270 4.680 4.350 -0.058 -0.094 0.264 144 T C 0.143 174.802 174.700 -0.067 0.000 1.019 144 T CA -0.014 62.037 62.100 -0.083 0.000 0.910 144 T CB 1.160 69.994 68.868 -0.057 0.000 1.059 144 T HN 0.102 8.191 8.240 -0.251 0.000 0.542 145 K N 2.549 122.896 120.400 -0.088 0.000 2.270 145 K HA 0.301 4.600 4.320 -0.035 0.000 0.255 145 K C -0.374 176.204 176.600 -0.037 0.000 0.936 145 K CA -1.125 55.130 56.287 -0.053 0.000 0.809 145 K CB 2.795 35.263 32.500 -0.054 0.000 1.131 145 K HN -0.400 8.045 8.250 -0.139 -0.278 0.427 146 S N 1.308 116.999 115.700 -0.015 0.000 2.406 146 S HA -0.078 4.395 4.470 0.004 0.000 0.224 146 S C -0.168 174.434 174.600 0.004 0.000 1.030 146 S CA 1.883 60.083 58.200 0.001 0.000 0.958 146 S CB 0.871 64.077 63.200 0.010 0.000 0.811 146 S HN 0.136 8.439 8.310 -0.012 0.000 0.489 147 S N 2.178 117.877 115.700 -0.000 0.000 2.577 147 S HA 0.192 4.667 4.470 0.009 0.000 0.294 147 S C -0.847 173.752 174.600 -0.002 0.000 1.161 147 S CA -0.222 57.980 58.200 0.004 0.000 1.143 147 S CB 0.175 63.379 63.200 0.006 0.000 0.991 147 S HN -0.504 7.786 8.310 -0.005 0.017 0.475 148 G N 2.934 111.733 108.800 -0.001 0.000 2.408 148 G HA2 -0.227 3.740 3.960 0.010 0.000 0.682 148 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.682 148 G C -2.767 172.119 174.900 -0.024 0.000 1.303 148 G CA -0.756 44.343 45.100 -0.002 0.000 0.966 148 G HN -0.125 8.167 8.290 0.004 0.000 0.560 149 T N -4.075 110.466 114.554 -0.021 0.000 2.881 149 T HA 0.173 4.616 4.350 -0.189 -0.206 0.291 149 T C -1.459 173.185 174.700 -0.094 0.000 0.990 149 T CA -1.439 60.608 62.100 -0.088 0.000 0.976 149 T CB 2.435 71.334 68.868 0.052 0.000 0.970 149 T HN -0.149 8.095 8.240 0.006 0.000 0.438 150 S N 3.887 119.445 115.700 -0.237 0.000 2.571 150 S HA 0.282 4.774 4.470 0.037 0.000 0.284 150 S C -2.217 172.239 174.600 -0.240 0.000 1.128 150 S CA -0.948 57.196 58.200 -0.092 0.000 0.970 150 S CB 1.799 64.971 63.200 -0.048 0.000 1.039 150 S HN 0.572 9.018 8.310 -0.382 -0.365 0.485 151 Y N 4.352 124.693 120.300 0.069 0.000 2.364 151 Y HA 0.277 4.888 4.550 0.101 0.000 0.340 151 Y C -1.050 174.902 175.900 0.087 0.000 0.975 151 Y CA -2.937 55.218 58.100 0.093 0.000 1.089 151 Y CB 1.669 40.195 38.460 0.109 0.000 1.192 151 Y HN 0.168 8.618 8.280 0.283 0.000 0.454 152 P HA 0.372 4.871 4.420 0.133 0.000 0.278 152 P C -1.612 175.820 177.300 0.220 0.000 1.266 152 P CA -0.782 62.423 63.100 0.176 0.000 0.807 152 P CB 2.048 33.824 31.700 0.126 0.000 1.094 153 D N -2.344 118.161 120.400 0.175 0.000 2.323 153 D HA -0.061 4.648 4.640 0.114 0.000 0.218 153 D C -1.344 175.109 176.300 0.254 0.000 0.973 153 D CA 1.253 55.344 54.000 0.152 0.000 0.890 153 D CB 1.163 42.020 40.800 0.095 0.000 1.011 153 D HN 0.333 8.786 8.370 0.139 0.000 0.499 154 V N -6.976 113.082 119.914 0.241 0.000 2.975 154 V HA 0.715 5.256 4.120 0.416 -0.172 0.318 154 V C -0.560 175.593 176.094 0.098 0.000 1.077 154 V CA -2.849 59.606 62.300 0.258 0.000 1.000 154 V CB 2.297 34.189 31.823 0.116 0.000 1.066 154 V HN -0.908 7.381 8.190 0.166 0.000 0.452 155 L N 1.905 123.054 121.223 -0.124 0.000 2.499 155 L HA -0.103 3.414 4.340 -1.372 0.000 0.273 155 L C -0.751 175.861 176.870 -0.430 0.000 1.195 155 L CA 0.823 55.233 54.840 -0.717 0.000 0.882 155 L CB 0.411 42.031 42.059 -0.732 0.000 1.133 155 L HN -0.227 8.232 8.230 0.095 -0.172 0.483 156 K N 5.627 125.747 120.400 -0.467 0.000 2.203 156 K HA 0.711 4.997 4.320 -0.334 -0.167 0.251 156 K C -1.169 175.169 176.600 -0.436 0.000 0.944 156 K CA -2.524 53.547 56.287 -0.359 0.000 0.829 156 K CB 2.465 34.821 32.500 -0.240 0.000 1.125 156 K HN -0.260 7.633 8.250 -0.596 0.000 0.430 157 c N -0.265 117.969 118.600 -0.611 0.000 2.707 157 c HA 0.969 5.477 4.570 -0.412 -0.185 0.313 157 c C -1.797 171.908 174.090 -0.642 0.000 1.209 157 c CA -0.771 55.142 56.329 -0.693 0.000 1.635 157 c CB 3.562 45.500 42.510 -0.953 0.000 2.206 157 c HN 0.847 8.538 8.230 -0.718 0.107 0.485 158 L N 0.447 121.522 121.223 -0.246 0.000 2.482 158 L HA 0.402 4.805 4.340 0.104 0.000 0.263 158 L C -2.399 174.545 176.870 0.123 0.000 0.957 158 L CA -0.039 54.812 54.840 0.018 0.000 0.836 158 L CB 4.516 46.602 42.059 0.044 0.000 1.324 158 L HN 0.841 8.960 8.230 -0.185 0.000 0.406 159 K N 5.181 125.717 120.400 0.227 0.000 2.185 159 K HA 0.948 5.557 4.320 0.128 -0.212 0.269 159 K C -0.982 175.742 176.600 0.208 0.000 0.987 159 K CA -1.512 54.885 56.287 0.184 0.000 0.865 159 K CB 1.369 33.982 32.500 0.189 0.000 1.090 159 K HN 0.257 8.677 8.250 0.284 0.000 0.450 160 A N 3.733 126.608 122.820 0.091 0.000 2.549 160 A HA 0.669 4.970 4.320 -0.032 0.000 0.297 160 A C -3.437 174.073 177.584 -0.124 0.000 1.061 160 A CA -2.631 49.386 52.037 -0.033 0.000 0.690 160 A CB 3.157 22.138 19.000 -0.031 0.000 1.287 160 A HN 0.949 9.019 8.150 0.044 0.106 0.402 161 P HA 0.762 5.322 4.420 -0.117 -0.211 0.287 161 P C -1.095 176.121 177.300 -0.140 0.000 1.270 161 P CA -1.530 61.472 63.100 -0.162 0.000 0.844 161 P CB 1.669 33.274 31.700 -0.159 0.000 1.068 162 I N 0.324 120.824 120.570 -0.117 0.000 2.496 162 I HA -0.024 4.269 4.170 0.010 -0.117 0.285 162 I C 0.109 176.194 176.117 -0.052 0.000 1.080 162 I CA 0.449 61.698 61.300 -0.085 0.000 1.404 162 I CB 0.208 38.070 38.000 -0.230 0.000 1.403 162 I HN 0.158 8.291 8.210 -0.127 0.000 0.539 163 L N 6.445 127.675 121.223 0.012 0.000 2.448 163 L HA 0.274 4.597 4.340 -0.027 0.000 0.258 163 L C -0.006 176.874 176.870 0.016 0.000 1.104 163 L CA -0.997 53.846 54.840 0.003 0.000 0.800 163 L CB 0.664 42.737 42.059 0.024 0.000 1.241 163 L HN 0.438 8.605 8.230 0.085 0.114 0.472 164 S N -2.104 113.601 115.700 0.010 0.000 2.592 164 S HA -0.071 4.401 4.470 0.004 0.000 0.271 164 S C 0.687 175.309 174.600 0.037 0.000 1.326 164 S CA -0.776 57.431 58.200 0.013 0.000 1.024 164 S CB 1.880 65.083 63.200 0.005 0.000 0.921 164 S HN 0.043 8.356 8.310 0.004 0.000 0.527 165 D N 2.498 122.921 120.400 0.039 0.000 2.178 165 D HA -0.264 4.423 4.640 0.078 0.000 0.201 165 D C 1.811 178.142 176.300 0.051 0.000 0.980 165 D CA 3.267 57.301 54.000 0.056 0.000 0.842 165 D CB -0.255 40.574 40.800 0.049 0.000 0.948 165 D HN 0.661 9.046 8.370 0.026 0.000 0.472 166 S N -1.341 114.380 115.700 0.035 0.000 2.383 166 S HA -0.292 4.199 4.470 0.035 0.000 0.227 166 S C 2.034 176.652 174.600 0.030 0.000 1.026 166 S CA 3.694 61.912 58.200 0.031 0.000 0.981 166 S CB -0.201 63.011 63.200 0.019 0.000 0.818 166 S HN 0.001 8.319 8.310 0.027 0.009 0.472 167 S N 3.038 118.754 115.700 0.027 0.000 2.383 167 S HA -0.212 4.264 4.470 0.010 0.000 0.227 167 S C 1.812 176.432 174.600 0.033 0.000 1.026 167 S CA 3.980 62.192 58.200 0.020 0.000 0.981 167 S CB -0.198 63.011 63.200 0.014 0.000 0.818 167 S HN -0.573 7.753 8.310 0.026 0.000 0.472 168 c N 3.478 122.116 118.600 0.064 0.000 2.436 168 c HA -0.313 4.330 4.570 0.122 0.000 0.277 168 c C 1.670 175.842 174.090 0.137 0.000 1.241 168 c CA 2.601 58.998 56.329 0.112 0.000 1.721 168 c CB -1.701 40.882 42.510 0.122 0.000 2.043 168 c HN -0.070 8.188 8.230 0.061 0.008 0.472 169 K N -1.192 119.272 120.400 0.107 0.000 2.211 169 K HA -0.296 4.119 4.320 0.158 0.000 0.203 169 K C 2.357 179.002 176.600 0.075 0.000 1.050 169 K CA 2.892 59.245 56.287 0.110 0.000 0.945 169 K CB -0.289 32.260 32.500 0.083 0.000 0.732 169 K HN 0.152 8.454 8.250 0.088 0.000 0.451 170 S N -2.033 113.690 115.700 0.038 0.000 2.428 170 S HA -0.176 4.303 4.470 0.014 0.000 0.230 170 S C 0.851 175.427 174.600 -0.040 0.000 1.014 170 S CA 2.312 60.515 58.200 0.006 0.000 0.957 170 S CB -0.112 63.086 63.200 -0.004 0.000 0.784 170 S HN -0.216 8.008 8.310 0.039 0.109 0.499 171 A N -0.594 122.177 122.820 -0.081 0.000 1.930 171 A HA -0.062 4.105 4.320 -0.254 0.000 0.215 171 A C -0.369 176.942 177.584 -0.455 0.000 1.176 171 A CA 1.776 53.633 52.037 -0.299 0.000 0.632 171 A CB 0.833 19.587 19.000 -0.411 0.000 0.819 171 A HN -0.868 7.129 8.150 -0.023 0.139 0.445 172 Y N -5.454 114.879 120.300 0.055 0.000 2.562 172 Y HA 0.479 5.098 4.550 0.115 0.000 0.363 172 Y C -2.398 173.562 175.900 0.100 0.000 0.991 172 Y CA -3.543 54.622 58.100 0.109 0.000 1.121 172 Y CB -0.167 38.397 38.460 0.174 0.000 1.159 172 Y HN -0.486 7.847 8.280 0.089 0.000 0.651 173 P HA -0.114 4.480 4.420 0.109 -0.109 0.262 173 P C 0.880 178.253 177.300 0.121 0.000 1.182 173 P CA 1.182 64.350 63.100 0.113 0.000 0.761 173 P CB 0.103 31.840 31.700 0.063 0.000 0.795 174 G N 3.718 112.579 108.800 0.101 0.000 2.175 174 G HA2 -0.367 3.631 3.960 0.063 0.000 0.265 174 G HA3 -0.367 3.628 3.960 0.058 0.000 0.265 174 G C 0.107 175.059 174.900 0.086 0.000 0.979 174 G CA 0.747 45.893 45.100 0.077 0.000 0.663 174 G HN 0.523 8.870 8.290 0.095 0.000 0.533 175 Q N -2.438 117.452 119.800 0.150 0.000 2.189 175 Q HA 0.089 4.458 4.340 0.049 0.000 0.223 175 Q C -0.791 175.345 176.000 0.226 0.000 0.828 175 Q CA -0.562 55.329 55.803 0.148 0.000 0.967 175 Q CB 1.424 30.283 28.738 0.202 0.000 1.139 175 Q HN -0.388 7.932 8.270 0.197 0.069 0.497 176 I N 0.025 120.719 120.570 0.206 0.000 2.336 176 I HA 0.075 4.392 4.170 0.246 0.000 0.292 176 I C -0.264 175.929 176.117 0.126 0.000 0.991 176 I CA -2.272 59.143 61.300 0.191 0.000 1.227 176 I CB -0.403 37.699 38.000 0.170 0.000 1.366 176 I HN -0.429 7.887 8.210 0.177 0.000 0.466 177 T N 2.324 116.948 114.554 0.118 0.000 2.922 177 T HA 0.369 4.758 4.350 0.064 0.000 0.281 177 T C 0.743 175.491 174.700 0.080 0.000 1.005 177 T CA -2.145 60.002 62.100 0.078 0.000 0.982 177 T CB 2.544 71.448 68.868 0.061 0.000 1.158 177 T HN -0.381 7.946 8.240 0.145 0.000 0.566 178 S N -2.192 113.541 115.700 0.055 0.000 2.507 178 S HA -0.234 4.272 4.470 0.061 0.000 0.235 178 S C 0.168 174.804 174.600 0.060 0.000 0.988 178 S CA 2.169 60.398 58.200 0.048 0.000 0.944 178 S CB -0.132 63.078 63.200 0.016 0.000 0.762 178 S HN 0.267 8.600 8.310 0.039 0.000 0.526 179 N N 0.312 119.057 118.700 0.075 0.000 2.276 179 N HA 0.075 4.867 4.740 0.087 0.000 0.212 179 N C -1.787 173.831 175.510 0.179 0.000 1.127 179 N CA -0.214 52.908 53.050 0.120 0.000 0.834 179 N CB 0.717 39.292 38.487 0.147 0.000 1.014 179 N HN -0.658 7.692 8.380 0.072 0.073 0.491 180 M N -1.716 117.977 119.600 0.155 0.000 2.619 180 M HA 0.874 5.605 4.480 0.061 -0.214 0.297 180 M C -2.375 174.028 176.300 0.171 0.000 1.229 180 M CA -0.470 54.895 55.300 0.109 0.000 0.860 180 M CB 5.238 37.889 32.600 0.084 0.000 1.741 180 M HN -0.632 7.649 8.290 0.139 0.092 0.462 181 F N -5.880 114.113 119.950 0.071 0.000 2.668 181 F HA 0.606 5.159 4.527 0.043 0.000 0.309 181 F C -2.849 172.999 175.800 0.080 0.000 1.117 181 F CA -1.808 56.228 58.000 0.061 0.000 0.951 181 F CB 2.267 41.299 39.000 0.053 0.000 1.323 181 F HN 0.083 8.210 8.300 -0.288 0.000 0.451 182 c N -0.177 118.603 118.600 0.300 0.000 2.391 182 c HA 0.994 5.827 4.570 0.109 -0.198 0.339 182 c C -1.134 173.150 174.090 0.324 0.000 1.205 182 c CA -1.104 55.349 56.329 0.206 0.000 1.937 182 c CB 2.833 45.422 42.510 0.132 0.000 2.341 182 c HN 0.937 9.365 8.230 0.330 0.000 0.516 183 A N 2.887 125.874 122.820 0.279 0.000 2.476 183 A HA 0.716 5.226 4.320 0.058 -0.155 0.280 183 A C -2.245 175.380 177.584 0.069 0.000 1.081 183 A CA -0.506 51.600 52.037 0.116 0.000 0.753 183 A CB 2.782 21.757 19.000 -0.041 0.000 1.248 183 A HN 0.511 8.863 8.150 0.336 0.000 0.424 184 Y N 2.728 123.061 120.300 0.055 0.000 2.365 184 Y HA 0.014 4.583 4.550 0.033 0.000 0.340 184 Y C 1.012 176.929 175.900 0.030 0.000 1.016 184 Y CA 0.018 58.140 58.100 0.037 0.000 1.196 184 Y CB 0.629 39.109 38.460 0.033 0.000 1.167 184 Y HN 0.327 8.733 8.280 0.209 0.000 0.509 185 L N 3.626 124.927 121.223 0.131 0.000 2.465 185 L HA -0.231 4.143 4.340 0.057 0.000 0.224 185 L C 0.935 177.850 176.870 0.075 0.000 1.145 185 L CA 1.861 56.745 54.840 0.073 0.000 0.834 185 L CB -0.384 41.696 42.059 0.036 0.000 0.944 185 L HN 0.532 8.826 8.230 0.108 0.000 0.451 186 E N -2.018 118.247 120.200 0.108 0.000 2.435 186 E HA -0.089 4.289 4.350 0.046 0.000 0.195 186 E C 0.681 177.315 176.600 0.056 0.000 1.029 186 E CA 0.057 56.497 56.400 0.067 0.000 0.865 186 E CB -0.456 29.279 29.700 0.059 0.000 0.833 186 E HN 0.091 8.495 8.360 0.164 0.054 0.510 187 G N 0.830 109.681 108.800 0.084 0.000 3.405 187 G HA2 -0.389 3.655 3.960 0.082 0.000 0.676 187 G HA3 -0.389 3.597 3.960 0.042 0.000 0.676 187 G C -0.919 174.002 174.900 0.035 0.000 1.039 187 G CA -0.086 45.052 45.100 0.063 0.000 0.855 187 G HN -0.641 7.562 8.290 0.131 0.165 0.443 188 K N 1.022 121.430 120.400 0.013 0.000 7.314 188 K HA -0.588 4.005 4.320 0.018 -0.263 0.694 188 K C -1.443 175.255 176.600 0.164 0.000 2.568 188 K CA 0.274 56.584 56.287 0.038 0.000 1.889 188 K CB -0.027 32.410 32.500 -0.106 0.000 2.060 188 K HN 0.205 8.490 8.250 0.059 0.000 0.284 189 D N 0.503 120.982 120.400 0.132 0.000 2.769 189 D HA 0.292 5.056 4.640 0.206 0.000 0.309 189 D C -1.941 174.429 176.300 0.116 0.000 1.315 189 D CA -0.552 53.539 54.000 0.152 0.000 0.780 189 D CB 4.173 45.044 40.800 0.119 0.000 1.312 189 D HN 0.246 8.669 8.370 0.088 0.000 0.437 190 S N -1.793 113.988 115.700 0.135 0.000 2.707 190 S HA 0.368 4.952 4.470 0.088 -0.061 0.276 190 S C -1.389 173.254 174.600 0.072 0.000 1.179 190 S CA -0.657 57.611 58.200 0.113 0.000 0.992 190 S CB 1.858 65.166 63.200 0.180 0.000 1.030 190 S HN 0.262 8.670 8.310 0.164 0.000 0.554 191 c N -1.385 117.259 118.600 0.072 0.000 3.293 191 c HA 0.283 4.886 4.570 0.056 0.000 0.362 191 c C -1.262 172.894 174.090 0.110 0.000 1.539 191 c CA -0.479 55.890 56.329 0.066 0.000 1.201 191 c CB 2.798 45.330 42.510 0.035 0.000 1.770 191 c HN 0.362 8.946 8.230 0.088 -0.301 0.440 192 Q N 1.314 121.188 119.800 0.124 0.000 2.304 192 Q HA -0.278 4.180 4.340 0.197 0.000 0.315 192 Q C 1.447 177.609 176.000 0.270 0.000 1.075 192 Q CA 2.652 58.571 55.803 0.194 0.000 0.988 192 Q CB -0.489 28.372 28.738 0.205 0.000 1.146 192 Q HN 0.517 8.842 8.270 0.093 0.000 0.383 193 G N 5.144 114.123 108.800 0.298 0.000 2.279 193 G HA2 -0.473 3.682 3.960 0.325 0.000 0.223 193 G HA3 -0.473 3.787 3.960 0.500 0.000 0.223 193 G C 0.598 175.718 174.900 0.366 0.000 1.015 193 G CA 0.977 46.306 45.100 0.380 0.000 0.621 193 G HN 0.305 8.757 8.290 0.271 0.000 0.506 194 D N 2.670 123.226 120.400 0.260 0.000 2.333 194 D HA 0.056 4.836 4.640 0.233 0.000 0.208 194 D C 0.011 176.414 176.300 0.172 0.000 0.984 194 D CA 1.243 55.366 54.000 0.204 0.000 0.873 194 D CB 0.447 41.332 40.800 0.142 0.000 0.935 194 D HN 0.062 8.472 8.370 0.228 0.097 0.521 195 S N -0.634 115.171 115.700 0.175 0.000 2.642 195 S HA -0.364 4.356 4.470 0.175 -0.145 0.308 195 S C 1.204 175.828 174.600 0.040 0.000 1.255 195 S CA 1.826 60.115 58.200 0.149 0.000 1.057 195 S CB -0.908 62.427 63.200 0.225 0.000 0.785 195 S HN -0.423 7.954 8.310 0.204 0.055 0.500 196 G N 5.140 113.947 108.800 0.012 0.000 2.253 196 G HA2 -0.452 3.566 3.960 -0.033 0.000 0.251 196 G HA3 -0.452 3.575 3.960 -0.061 -0.103 0.251 196 G C -0.119 174.817 174.900 0.059 0.000 0.998 196 G CA 0.462 45.553 45.100 -0.014 0.000 0.621 196 G HN 0.753 8.970 8.290 0.053 0.105 0.524 197 G N 0.824 109.684 108.800 0.100 0.000 2.588 197 G HA2 0.407 4.510 3.960 0.126 0.000 0.281 197 G HA3 0.407 4.442 3.960 0.125 0.000 0.281 197 G C -2.702 172.285 174.900 0.145 0.000 1.236 197 G CA -2.099 43.076 45.100 0.126 0.000 0.969 197 G HN -0.118 8.144 8.290 0.107 0.092 0.504 198 P HA 0.346 4.972 4.420 0.142 -0.121 0.281 198 P C -1.581 175.796 177.300 0.128 0.000 1.249 198 P CA -0.813 62.385 63.100 0.164 0.000 0.810 198 P CB 1.595 33.454 31.700 0.266 0.000 1.008 199 V N 2.271 122.241 119.914 0.092 0.000 2.419 199 V HA 0.276 4.565 4.120 0.007 -0.165 0.287 199 V C -1.348 174.760 176.094 0.024 0.000 1.017 199 V CA -0.420 61.898 62.300 0.029 0.000 0.844 199 V CB 1.766 33.585 31.823 -0.006 0.000 1.011 199 V HN -0.231 8.016 8.190 0.095 0.000 0.429 200 V N 7.951 127.869 119.914 0.006 0.000 2.417 200 V HA 0.630 4.898 4.120 -0.067 -0.188 0.291 200 V C -1.329 174.744 176.094 -0.035 0.000 1.024 200 V CA -1.249 61.025 62.300 -0.043 0.000 0.861 200 V CB 2.823 34.599 31.823 -0.078 0.000 0.985 200 V HN 0.607 8.815 8.190 0.030 0.000 0.436 201 c N 7.400 125.966 118.600 -0.056 0.000 2.396 201 c HA 0.565 5.110 4.570 -0.043 0.000 0.321 201 c C 0.216 174.273 174.090 -0.054 0.000 1.233 201 c CA -1.322 54.972 56.329 -0.058 0.000 1.440 201 c CB 1.915 44.370 42.510 -0.092 0.000 2.110 201 c HN 0.798 8.988 8.230 -0.067 0.000 0.473 202 S N 5.605 121.282 115.700 -0.038 0.000 3.559 202 S HA -0.352 4.106 4.470 -0.020 0.000 0.369 202 S C 0.276 174.855 174.600 -0.036 0.000 0.987 202 S CA 1.104 59.285 58.200 -0.031 0.000 1.187 202 S CB -1.109 62.069 63.200 -0.036 0.000 0.914 202 S HN 1.127 9.419 8.310 -0.030 0.000 0.480 203 G N -5.012 103.764 108.800 -0.039 0.000 2.166 203 G HA2 -0.366 3.556 3.960 -0.064 0.000 0.260 203 G HA3 -0.366 3.571 3.960 -0.039 0.000 0.260 203 G C -0.662 174.184 174.900 -0.091 0.000 0.986 203 G CA 0.541 45.606 45.100 -0.058 0.000 0.683 203 G HN 0.315 8.583 8.290 -0.030 0.004 0.527 210 Q N 1.158 120.981 119.800 0.038 0.000 2.392 210 Q HA 0.196 4.580 4.340 0.074 0.000 0.219 210 Q C -0.262 175.905 176.000 0.278 0.000 0.895 210 Q CA 0.164 56.016 55.803 0.081 0.000 0.929 210 Q CB 2.720 31.424 28.738 -0.058 0.000 1.077 210 Q HN 0.405 8.686 8.270 0.019 0.000 0.532 211 G N -3.125 105.848 108.800 0.289 0.000 2.695 211 G HA2 0.596 5.034 3.960 0.390 0.000 0.290 211 G HA3 0.596 4.839 3.960 0.472 0.000 0.290 211 G C -3.323 171.706 174.900 0.214 0.000 1.410 211 G CA -0.624 44.691 45.100 0.358 0.000 0.844 211 G HN -0.313 8.085 8.290 0.179 0.000 0.478 212 I N -1.397 119.291 120.570 0.197 0.000 2.545 212 I HA 0.567 5.051 4.170 0.168 -0.214 0.292 212 I C -0.406 175.842 176.117 0.219 0.000 1.040 212 I CA -1.522 59.878 61.300 0.167 0.000 1.068 212 I CB 4.336 42.391 38.000 0.093 0.000 1.251 212 I HN -0.392 7.998 8.210 0.169 -0.079 0.424 213 V N 6.773 126.824 119.914 0.228 0.000 2.493 213 V HA -0.189 3.959 4.120 0.047 0.000 0.292 213 V C -1.105 175.014 176.094 0.041 0.000 1.016 213 V CA 2.069 64.446 62.300 0.129 0.000 1.097 213 V CB -1.022 30.902 31.823 0.168 0.000 0.947 213 V HN 0.303 8.613 8.190 0.201 0.000 0.479 214 S N 7.829 123.451 115.700 -0.130 0.000 3.142 214 S HA 0.346 5.029 4.470 0.356 0.000 0.223 214 S C -0.840 173.828 174.600 0.112 0.000 0.939 214 S CA 0.877 59.139 58.200 0.104 0.000 0.826 214 S CB 2.485 65.733 63.200 0.080 0.000 0.823 214 S HN -0.110 7.900 8.310 -0.501 0.000 0.612 215 W N -3.656 117.460 121.300 -0.306 0.000 2.962 215 W HA 0.266 4.790 4.660 -0.227 0.000 0.405 215 W C -3.012 173.323 176.519 -0.307 0.000 1.121 215 W CA -0.817 56.359 57.345 -0.281 0.000 1.164 215 W CB 0.669 29.964 29.460 -0.274 0.000 1.489 215 W HN -0.237 7.628 8.180 -0.524 0.000 0.599 216 G N -3.246 105.599 108.800 0.075 0.000 2.325 216 G HA2 0.003 3.650 3.960 -0.521 0.000 0.297 216 G HA3 0.003 3.872 3.960 -0.151 0.000 0.297 216 G C -2.368 172.653 174.900 0.201 0.000 1.448 216 G CA 0.134 45.170 45.100 -0.107 0.000 0.838 216 G HN -0.045 8.503 8.290 0.430 0.000 0.579 220 c N 1.988 120.622 118.600 0.056 0.000 3.370 220 c HA 0.306 5.055 4.570 0.055 -0.146 0.190 220 c C -1.546 172.573 174.090 0.048 0.000 1.647 220 c CA -0.814 55.544 56.329 0.050 0.000 1.277 220 c CB -1.276 41.256 42.510 0.036 0.000 2.037 220 c HN 0.324 8.584 8.230 0.050 0.000 0.537 221 Q N -1.893 117.939 119.800 0.054 0.000 2.852 221 Q HA 0.149 4.509 4.340 0.033 0.000 0.250 221 Q C -1.561 174.461 176.000 0.036 0.000 0.988 221 Q CA -0.702 55.125 55.803 0.040 0.000 0.905 221 Q CB 2.435 31.198 28.738 0.042 0.000 1.896 221 Q HN 0.101 8.409 8.270 0.063 0.000 0.464 222 K N 3.894 124.309 120.400 0.024 0.000 2.485 222 K HA -0.293 4.157 4.320 0.032 -0.111 0.277 222 K C 0.253 176.851 176.600 -0.003 0.000 0.990 222 K CA 0.799 57.097 56.287 0.018 0.000 0.994 222 K CB 0.063 32.569 32.500 0.011 0.000 0.906 222 K HN 0.266 8.528 8.250 0.021 0.000 0.488 223 N N 1.310 120.004 118.700 -0.009 0.000 2.678 223 N HA -0.487 4.229 4.740 -0.041 0.000 0.250 223 N C -1.563 173.874 175.510 -0.122 0.000 1.136 223 N CA 1.793 54.811 53.050 -0.053 0.000 0.757 223 N CB -0.447 38.001 38.487 -0.065 0.000 1.135 223 N HN 0.683 8.950 8.380 0.012 0.121 0.565 224 K N -2.410 117.948 120.400 -0.070 0.000 2.753 224 K HA 0.544 4.656 4.320 -0.347 0.000 0.185 224 K C -2.399 174.255 176.600 0.090 0.000 1.071 224 K CA -3.517 52.724 56.287 -0.077 0.000 0.999 224 K CB -0.139 32.371 32.500 0.017 0.000 1.244 224 K HN -0.738 7.438 8.250 -0.011 0.067 0.594 225 P HA -0.074 4.412 4.420 0.111 0.000 0.274 225 P C -0.462 176.892 177.300 0.090 0.000 1.260 225 P CA -0.375 62.798 63.100 0.122 0.000 0.793 225 P CB 1.120 32.881 31.700 0.102 0.000 1.048 226 G N -2.447 106.382 108.800 0.048 0.000 2.476 226 G HA2 0.347 4.125 3.960 -0.305 0.000 0.269 226 G HA3 0.347 4.292 3.960 -0.150 -0.074 0.269 226 G C -1.879 172.749 174.900 -0.453 0.000 1.195 226 G CA -0.784 44.187 45.100 -0.215 0.000 0.843 226 G HN -0.373 8.001 8.290 0.139 0.000 0.545 227 V N 1.944 121.248 119.914 -1.017 0.000 2.513 227 V HA 0.695 4.620 4.120 -0.612 -0.172 0.299 227 V C -0.874 174.467 176.094 -1.255 0.000 1.035 227 V CA -1.093 60.563 62.300 -1.074 0.000 0.889 227 V CB 2.418 33.156 31.823 -1.807 0.000 0.988 227 V HN 0.530 8.066 8.190 -1.089 0.000 0.440 228 Y N 4.273 124.155 120.300 -0.695 0.000 2.536 228 Y HA 0.570 5.018 4.550 -0.381 -0.126 0.347 228 Y C 0.183 175.767 175.900 -0.526 0.000 1.000 228 Y CA -2.125 55.574 58.100 -0.668 0.000 1.051 228 Y CB 3.922 41.725 38.460 -1.095 0.000 1.259 228 Y HN 1.026 8.947 8.280 -0.598 0.000 0.468 229 T N 4.326 118.827 114.554 -0.088 0.000 2.851 229 T HA 0.064 4.609 4.350 0.079 -0.148 0.298 229 T C -0.723 174.086 174.700 0.182 0.000 0.977 229 T CA 1.289 63.423 62.100 0.058 0.000 1.126 229 T CB 0.605 69.502 68.868 0.049 0.000 0.916 229 T HN 0.443 8.671 8.240 -0.020 0.000 0.529 230 K N 8.096 128.689 120.400 0.322 0.000 2.127 230 K HA 0.096 4.837 4.320 0.702 0.000 0.261 230 K C 0.894 177.741 176.600 0.411 0.000 1.129 230 K CA -0.645 55.922 56.287 0.466 0.000 0.993 230 K CB -0.345 32.383 32.500 0.381 0.000 1.410 230 K HN 0.273 8.602 8.250 0.293 0.097 0.380 231 V N 5.108 125.251 119.914 0.381 0.000 2.453 231 V HA -0.491 3.923 4.120 0.489 0.000 0.252 231 V C 1.663 177.919 176.094 0.269 0.000 1.068 231 V CA 3.568 66.079 62.300 0.351 0.000 1.070 231 V CB -0.961 31.001 31.823 0.232 0.000 0.664 231 V HN 0.257 8.685 8.190 0.396 0.000 0.461 232 c N -3.605 115.092 118.600 0.163 0.000 2.409 232 c HA -0.240 4.378 4.570 0.080 0.000 0.284 232 c C 1.970 176.081 174.090 0.035 0.000 1.354 232 c CA 1.576 57.952 56.329 0.080 0.000 1.787 232 c CB -2.096 40.432 42.510 0.031 0.000 1.900 232 c HN 0.552 8.864 8.230 0.163 0.016 0.520 233 N N 0.986 119.674 118.700 -0.020 0.000 2.494 233 N HA -0.105 4.535 4.740 -0.166 0.000 0.182 233 N C 0.389 175.652 175.510 -0.412 0.000 1.076 233 N CA 1.299 54.191 53.050 -0.264 0.000 0.908 233 N CB -0.148 38.039 38.487 -0.500 0.000 0.967 233 N HN -0.280 8.093 8.380 0.062 0.044 0.449 234 Y N -4.554 115.815 120.300 0.114 0.000 2.584 234 Y HA 0.166 4.855 4.550 0.231 0.000 0.254 234 Y C -0.017 176.024 175.900 0.236 0.000 1.177 234 Y CA -0.720 57.505 58.100 0.208 0.000 1.216 234 Y CB -0.266 38.332 38.460 0.231 0.000 1.172 234 Y HN -0.110 8.093 8.280 0.185 0.188 0.529 235 V N 1.083 121.138 119.914 0.236 0.000 2.343 235 V HA -0.562 3.656 4.120 0.163 0.000 0.247 235 V C 1.307 177.475 176.094 0.123 0.000 1.051 235 V CA 4.908 67.302 62.300 0.155 0.000 1.036 235 V CB -0.518 31.358 31.823 0.087 0.000 0.654 235 V HN -0.835 7.454 8.190 0.164 0.000 0.451 236 S N 0.015 115.788 115.700 0.122 0.000 2.368 236 S HA -0.318 4.173 4.470 0.035 0.000 0.224 236 S C 1.645 176.316 174.600 0.117 0.000 1.029 236 S CA 3.544 61.795 58.200 0.086 0.000 0.988 236 S CB -0.454 62.794 63.200 0.080 0.000 0.838 236 S HN 0.116 8.498 8.310 0.119 0.000 0.462 237 W N 3.928 125.268 121.300 0.067 0.000 2.355 237 W HA -0.191 4.499 4.660 0.050 0.000 0.309 237 W C 1.717 178.256 176.519 0.032 0.000 1.206 237 W CA 3.064 60.461 57.345 0.086 0.000 1.284 237 W CB -0.019 29.579 29.460 0.231 0.000 1.145 237 W HN -0.405 8.008 8.180 0.388 0.000 0.502 238 I N -0.896 119.695 120.570 0.035 0.000 2.127 238 I HA -0.765 3.029 4.170 -0.627 0.000 0.241 238 I C 1.796 177.688 176.117 -0.375 0.000 1.075 238 I CA 4.481 65.620 61.300 -0.268 0.000 1.334 238 I CB -0.266 37.736 38.000 0.003 0.000 1.040 238 I HN 0.322 8.746 8.210 0.356 0.000 0.405 239 K N -0.969 119.306 120.400 -0.208 0.000 2.063 239 K HA -0.423 3.745 4.320 -0.254 0.000 0.208 239 K C 2.884 179.331 176.600 -0.255 0.000 1.048 239 K CA 3.719 59.877 56.287 -0.215 0.000 0.928 239 K CB -0.351 32.082 32.500 -0.111 0.000 0.713 239 K HN -0.090 8.104 8.250 -0.092 0.000 0.442 240 Q N -1.948 117.710 119.800 -0.238 0.000 2.079 240 Q HA -0.285 3.957 4.340 -0.162 0.000 0.200 240 Q C 2.603 178.413 176.000 -0.316 0.000 0.974 240 Q CA 3.378 59.050 55.803 -0.218 0.000 0.840 240 Q CB 0.045 28.696 28.738 -0.146 0.000 0.898 240 Q HN 0.186 8.337 8.270 -0.200 0.000 0.430 241 T N 3.024 117.265 114.554 -0.521 0.000 2.674 241 T HA -0.289 3.820 4.350 -0.403 0.000 0.265 241 T C 2.273 176.663 174.700 -0.516 0.000 1.039 241 T CA 4.987 66.743 62.100 -0.573 0.000 1.150 241 T CB -0.179 68.088 68.868 -1.000 0.000 0.864 241 T HN -0.062 7.796 8.240 -0.637 0.000 0.427 242 I N 0.525 120.668 120.570 -0.711 0.000 2.286 242 I HA -0.455 2.931 4.170 -1.306 0.000 0.248 242 I C 1.923 177.814 176.117 -0.377 0.000 1.115 242 I CA 3.721 64.478 61.300 -0.904 0.000 1.392 242 I CB -0.447 36.914 38.000 -1.065 0.000 1.065 242 I HN -0.027 7.753 8.210 -0.716 0.000 0.418 243 A N -0.899 121.752 122.820 -0.283 0.000 2.015 243 A HA -0.151 4.107 4.320 -0.105 0.000 0.219 243 A C 0.824 178.360 177.584 -0.081 0.000 1.163 243 A CA 2.642 54.595 52.037 -0.140 0.000 0.646 243 A CB -0.526 18.399 19.000 -0.124 0.000 0.806 243 A HN -0.119 7.745 8.150 -0.331 0.087 0.448 244 S N -3.988 111.653 115.700 -0.098 0.000 2.577 244 S HA 0.097 4.553 4.470 -0.022 0.000 0.219 244 S C -1.006 173.603 174.600 0.015 0.000 0.962 244 S CA 0.455 58.631 58.200 -0.041 0.000 0.921 244 S CB 0.810 63.977 63.200 -0.056 0.000 0.789 244 S HN -0.434 7.646 8.310 -0.165 0.131 0.497 245 N N 0.000 118.741 118.700 0.068 0.000 1.763 245 N HA 0.000 4.820 4.740 0.133 0.000 0.220 245 N CA 0.000 53.171 53.050 0.202 0.000 0.885 245 N CB 0.000 38.691 38.487 0.339 0.000 1.341 245 N HN 0.000 8.226 8.380 0.030 0.172 0.667