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 2j2i_1_B DATA FIRST_RESID 33 DATA SEQUENCE PLESQYQVGP LLGSGGFGSV YSGIRVSDNL PVAIKHVEKD RISDWGELPN DATA SEQUENCE GTRVPMEVVL LKKVSSGFSG VIRLLDWFER PDSFVLILER PEPVQDLFDF DATA SEQUENCE ITERGALQEE LARSFFWQVL EAVRHCHNCG VLHRDIKDEN ILIDLNRGEL DATA SEQUENCE KLIDFGSGAL LKDTVYTDFD GTRVYSPPEW IRYHRYHGRS AAVWSLGILL DATA SEQUENCE YDMVCGDIPF EHDEEIIGGQ VFFRQRVSSE CQHLIRWCLA LRPSDRPTFE DATA SEQUENCE EIQNHPWMQD VLLPQETAEI HLH 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 33 P HA 0.000 4.420 4.420 0.000 0.000 0.216 33 P C 0.000 177.174 177.300 -0.211 0.000 1.155 33 P CA 0.000 63.064 63.100 -0.060 0.000 0.800 33 P CB 0.000 31.662 31.700 -0.063 0.000 0.726 34 L N 0.643 121.514 121.223 -0.586 0.000 2.079 34 L HA -0.161 4.182 4.340 0.005 0.000 0.210 34 L C 2.226 178.983 176.870 -0.187 0.000 1.081 34 L CA 3.116 57.538 54.840 -0.696 0.000 0.752 34 L CB -1.773 39.683 42.059 -1.005 0.000 0.896 34 L HN 0.695 8.925 8.230 0.000 0.000 0.433 35 E N 0.419 120.523 120.200 -0.159 0.000 2.107 35 E HA -0.119 4.234 4.350 0.005 0.000 0.191 35 E C 2.509 179.078 176.600 -0.052 0.000 0.982 35 E CA 1.486 57.839 56.400 -0.079 0.000 0.809 35 E CB -0.239 29.416 29.700 -0.075 0.000 0.756 35 E HN 0.910 9.270 8.360 0.000 0.000 0.459 36 S N -0.246 115.414 115.700 -0.067 0.000 2.478 36 S HA -0.062 4.412 4.470 0.005 0.000 0.222 36 S C 1.967 176.508 174.600 -0.098 0.000 1.008 36 S CA 0.375 58.537 58.200 -0.064 0.000 0.928 36 S CB 0.077 63.244 63.200 -0.056 0.000 0.781 36 S HN 0.141 8.451 8.310 0.000 0.000 0.518 37 Q N -0.547 119.171 119.800 -0.136 0.000 2.389 37 Q HA 0.181 4.524 4.340 0.005 0.000 0.204 37 Q C -0.889 174.750 176.000 -0.603 0.000 0.944 37 Q CA 0.558 56.170 55.803 -0.318 0.000 0.908 37 Q CB 0.247 28.814 28.738 -0.284 0.000 1.002 37 Q HN 0.692 8.962 8.270 0.000 0.000 0.493 38 Y N -1.222 119.054 120.300 -0.039 0.000 2.421 38 Y HA 0.214 4.767 4.550 0.005 0.000 0.339 38 Y C -0.653 175.233 175.900 -0.023 0.000 0.996 38 Y CA -0.812 57.276 58.100 -0.019 0.000 1.046 38 Y CB 1.936 40.386 38.460 -0.016 0.000 1.226 38 Y HN -0.337 7.943 8.280 0.000 0.000 0.445 39 Q N 2.859 122.735 119.800 0.126 0.000 2.314 39 Q HA 0.496 4.839 4.340 0.005 0.000 0.257 39 Q C -0.890 175.168 176.000 0.097 0.000 0.975 39 Q CA -0.645 55.205 55.803 0.078 0.000 0.933 39 Q CB 0.673 29.443 28.738 0.053 0.000 1.195 39 Q HN 0.591 8.861 8.270 0.000 0.000 0.426 40 V N 4.904 124.853 119.914 0.058 0.000 2.498 40 V HA 0.687 4.810 4.120 0.005 0.000 0.279 40 V C 1.133 177.264 176.094 0.061 0.000 1.048 40 V CA 0.351 62.677 62.300 0.043 0.000 0.967 40 V CB 1.200 32.990 31.823 -0.056 0.000 0.988 40 V HN 0.949 9.139 8.190 0.000 0.000 0.473 41 G N 5.270 114.138 108.800 0.114 0.000 2.890 41 G HA2 0.646 4.609 3.960 0.005 0.000 0.189 41 G HA3 0.646 4.609 3.960 0.005 0.000 0.189 41 G C -2.645 172.374 174.900 0.197 0.000 1.342 41 G CA -1.051 44.123 45.100 0.124 0.000 1.026 41 G HN 0.595 8.885 8.290 0.000 0.000 0.579 42 P HA 0.217 4.637 4.420 0.000 0.000 0.274 42 P C -0.468 176.935 177.300 0.172 0.000 1.237 42 P CA -0.546 62.656 63.100 0.168 0.000 0.793 42 P CB 1.114 32.868 31.700 0.090 0.000 0.977 43 L N 2.017 123.270 121.223 0.050 0.000 2.513 43 L HA -0.023 4.320 4.340 0.005 0.000 0.272 43 L C 1.240 178.036 176.870 -0.123 0.000 1.187 43 L CA 0.591 55.261 54.840 -0.283 0.000 0.895 43 L CB -0.480 41.386 42.059 -0.322 0.000 1.147 43 L HN 0.319 8.549 8.230 0.000 0.000 0.483 44 L N 4.597 125.749 121.223 -0.120 0.000 2.249 44 L HA 0.371 4.714 4.340 0.005 0.000 0.207 44 L C 1.069 177.922 176.870 -0.027 0.000 1.090 44 L CA 0.583 55.398 54.840 -0.042 0.000 0.802 44 L CB -0.424 41.621 42.059 -0.023 0.000 0.947 44 L HN 0.850 9.080 8.230 0.000 0.000 0.453 45 G N -1.200 107.588 108.800 -0.020 0.000 2.368 45 G HA2 0.440 4.403 3.960 0.005 0.000 0.293 45 G HA3 0.440 4.403 3.960 0.005 0.000 0.293 45 G C -1.628 173.376 174.900 0.173 0.000 1.467 45 G CA 0.113 45.268 45.100 0.091 0.000 0.804 45 G HN 0.008 8.298 8.290 0.000 0.000 0.535 46 S N -1.372 114.402 115.700 0.123 0.000 2.607 46 S HA 1.001 5.474 4.470 0.005 0.000 0.273 46 S C 0.090 174.373 174.600 -0.528 0.000 1.148 46 S CA 0.457 58.554 58.200 -0.172 0.000 0.833 46 S CB 1.902 65.001 63.200 -0.168 0.000 1.130 46 S HN 2.662 10.972 8.310 0.000 0.000 0.470 47 G N 0.244 108.418 108.800 -1.043 0.000 2.441 47 G HA2 0.464 4.427 3.960 0.005 0.000 0.225 47 G HA3 0.464 4.427 3.960 0.005 0.000 0.225 47 G C 0.646 175.074 174.900 -0.786 0.000 1.200 47 G CA 0.158 44.762 45.100 -0.827 0.000 0.947 47 G HN 1.510 9.800 8.290 0.000 0.000 0.484 48 G N 0.056 108.544 108.800 -0.522 0.000 2.462 48 G HA2 0.049 4.012 3.960 0.005 0.000 0.220 48 G HA3 0.049 4.012 3.960 0.005 0.000 0.220 48 G C 1.517 176.266 174.900 -0.252 0.000 1.121 48 G CA 1.949 46.873 45.100 -0.294 0.000 0.758 48 G HN 0.963 9.253 8.290 0.000 0.000 0.559 49 F N 0.211 120.115 119.950 -0.076 0.000 2.811 49 F HA 0.465 4.995 4.527 0.006 0.000 0.301 49 F C 1.320 177.098 175.800 -0.037 0.000 1.151 49 F CA -0.515 57.443 58.000 -0.070 0.000 1.412 49 F CB -0.485 38.473 39.000 -0.071 0.000 1.113 49 F HN 0.399 8.699 8.300 0.000 0.000 0.579 50 G N 0.352 108.985 108.800 -0.278 0.000 2.475 50 G HA2 -0.058 3.905 3.960 0.005 0.000 0.223 50 G HA3 -0.058 3.905 3.960 0.005 0.000 0.223 50 G C -0.751 174.093 174.900 -0.094 0.000 1.201 50 G CA -0.394 44.651 45.100 -0.092 0.000 0.962 50 G HN 0.461 8.751 8.290 0.000 0.000 0.586 51 S N -0.611 115.160 115.700 0.118 0.000 2.519 51 S HA 0.678 5.151 4.470 0.005 0.000 0.309 51 S C -0.319 174.410 174.600 0.215 0.000 1.100 51 S CA -0.369 57.892 58.200 0.101 0.000 1.059 51 S CB 1.988 65.212 63.200 0.041 0.000 1.008 51 S HN 1.226 9.536 8.310 0.000 0.000 0.478 52 V N 3.908 123.885 119.914 0.105 0.000 2.448 52 V HA 0.491 4.614 4.120 0.005 0.000 0.295 52 V C -1.352 174.690 176.094 -0.087 0.000 1.025 52 V CA -0.681 61.687 62.300 0.113 0.000 0.859 52 V CB 0.791 32.665 31.823 0.084 0.000 0.988 52 V HN 0.857 9.047 8.190 0.000 0.000 0.431 53 Y N 1.492 121.872 120.300 0.132 0.000 2.446 53 Y HA 0.520 5.073 4.550 0.005 0.000 0.338 53 Y C 0.868 176.807 175.900 0.065 0.000 1.055 53 Y CA -0.452 57.706 58.100 0.096 0.000 1.101 53 Y CB 1.998 40.524 38.460 0.110 0.000 1.221 53 Y HN 0.598 8.878 8.280 0.000 0.000 0.460 54 S N 0.968 116.788 115.700 0.199 0.000 2.572 54 S HA 0.656 5.129 4.470 0.005 0.000 0.279 54 S C 0.088 174.780 174.600 0.152 0.000 1.341 54 S CA 0.135 58.417 58.200 0.137 0.000 1.043 54 S CB 0.058 63.320 63.200 0.104 0.000 0.887 54 S HN 0.952 9.262 8.310 0.000 0.000 0.516 55 G N 1.373 110.245 108.800 0.121 0.000 2.682 55 G HA2 0.649 4.613 3.960 0.005 0.000 0.290 55 G HA3 0.649 4.613 3.960 0.005 0.000 0.290 55 G C -1.678 173.306 174.900 0.139 0.000 1.425 55 G CA -0.408 44.770 45.100 0.131 0.000 0.807 55 G HN 0.766 9.056 8.290 0.000 0.000 0.482 56 I N 0.267 120.940 120.570 0.171 0.000 2.534 56 I HA 0.515 4.688 4.170 0.005 0.000 0.288 56 I C 0.245 176.481 176.117 0.199 0.000 1.077 56 I CA -0.995 60.397 61.300 0.154 0.000 1.051 56 I CB 1.534 39.589 38.000 0.092 0.000 1.234 56 I HN 0.763 8.973 8.210 0.000 0.000 0.425 57 R N 3.587 124.201 120.500 0.190 0.000 2.351 57 R HA 0.314 4.657 4.340 0.005 0.000 0.318 57 R C 0.843 177.103 176.300 -0.067 0.000 1.055 57 R CA -0.042 56.072 56.100 0.024 0.000 0.968 57 R CB 0.937 31.276 30.300 0.066 0.000 0.974 57 R HN 0.696 8.966 8.270 0.000 0.000 0.439 58 V N 3.301 123.120 119.914 -0.157 0.000 2.392 58 V HA -0.306 3.817 4.120 0.005 0.000 0.249 58 V C 2.216 178.263 176.094 -0.077 0.000 1.059 58 V CA 2.308 64.550 62.300 -0.098 0.000 1.051 58 V CB -0.463 31.290 31.823 -0.117 0.000 0.658 58 V HN 0.979 9.169 8.190 0.000 0.000 0.455 59 S N 1.650 117.289 115.700 -0.102 0.000 2.368 59 S HA -0.201 4.272 4.470 0.005 0.000 0.225 59 S C 1.353 175.933 174.600 -0.033 0.000 1.030 59 S CA 1.590 59.751 58.200 -0.065 0.000 0.999 59 S CB -0.319 62.839 63.200 -0.070 0.000 0.844 59 S HN 0.816 9.126 8.310 0.000 0.000 0.459 60 D N -0.435 119.952 120.400 -0.022 0.000 2.582 60 D HA 0.145 4.788 4.640 0.005 0.000 0.246 60 D C -0.156 176.151 176.300 0.012 0.000 1.334 60 D CA -0.448 53.552 54.000 -0.001 0.000 0.805 60 D CB -1.428 39.377 40.800 0.008 0.000 1.087 60 D HN 0.331 8.701 8.370 0.000 0.000 0.499 61 N N 0.361 119.068 118.700 0.011 0.000 2.708 61 N HA -0.204 4.539 4.740 0.005 0.000 0.249 61 N C -0.447 175.091 175.510 0.046 0.000 1.097 61 N CA 0.219 53.286 53.050 0.028 0.000 0.710 61 N CB -1.026 37.475 38.487 0.023 0.000 1.032 61 N HN 0.331 8.711 8.380 0.000 0.000 0.551 62 L N 1.809 123.067 121.223 0.058 0.000 2.462 62 L HA 0.216 4.559 4.340 0.005 0.000 0.272 62 L C -1.850 175.078 176.870 0.095 0.000 1.166 62 L CA -0.706 54.179 54.840 0.075 0.000 0.880 62 L CB 0.383 42.495 42.059 0.088 0.000 1.142 62 L HN -0.087 8.143 8.230 0.000 0.000 0.473 63 P HA 0.188 4.608 4.420 0.000 0.000 0.271 63 P C -1.171 176.184 177.300 0.090 0.000 1.220 63 P CA -0.049 63.100 63.100 0.082 0.000 0.768 63 P CB 0.907 32.644 31.700 0.062 0.000 0.848 64 V N -0.178 119.795 119.914 0.098 0.000 3.160 64 V HA 0.966 5.089 4.120 0.005 0.000 0.310 64 V C -0.968 175.159 176.094 0.055 0.000 1.181 64 V CA -1.615 60.732 62.300 0.077 0.000 1.047 64 V CB 1.781 33.657 31.823 0.088 0.000 1.068 64 V HN 0.556 8.746 8.190 0.000 0.000 0.441 65 A N 1.848 124.686 122.820 0.029 0.000 2.342 65 A HA 0.925 5.248 4.320 0.005 0.000 0.323 65 A C -0.757 176.833 177.584 0.011 0.000 1.125 65 A CA -0.716 51.342 52.037 0.035 0.000 0.785 65 A CB 1.065 20.077 19.000 0.019 0.000 1.221 65 A HN 0.937 9.087 8.150 0.000 0.000 0.463 66 I N 2.802 123.408 120.570 0.061 0.000 2.420 66 I HA 0.311 4.484 4.170 0.005 0.000 0.282 66 I C -0.092 176.098 176.117 0.122 0.000 1.019 66 I CA -0.572 60.741 61.300 0.022 0.000 1.130 66 I CB 1.492 39.505 38.000 0.022 0.000 1.262 66 I HN 0.516 8.726 8.210 0.000 0.000 0.454 67 K N 7.043 127.461 120.400 0.031 0.000 2.265 67 K HA 0.417 4.740 4.320 0.005 0.000 0.267 67 K C -1.085 175.534 176.600 0.031 0.000 0.994 67 K CA -0.391 55.963 56.287 0.113 0.000 0.860 67 K CB 0.919 33.477 32.500 0.096 0.000 1.099 67 K HN 0.583 8.833 8.250 0.000 0.000 0.448 68 H N 2.702 121.887 119.070 0.192 0.000 2.466 68 H HA 0.397 4.956 4.556 0.005 0.000 0.338 68 H C -0.400 175.010 175.328 0.137 0.000 1.091 68 H CA -0.871 55.279 56.048 0.172 0.000 1.207 68 H CB 1.956 31.827 29.762 0.182 0.000 1.466 68 H HN 0.402 8.682 8.280 0.000 0.000 0.493 69 V N 0.384 120.439 119.914 0.234 0.000 2.686 69 V HA 0.340 4.463 4.120 0.005 0.000 0.306 69 V C -0.057 176.137 176.094 0.167 0.000 1.065 69 V CA -1.167 61.225 62.300 0.153 0.000 0.894 69 V CB 2.255 34.125 31.823 0.078 0.000 1.004 69 V HN 0.700 8.890 8.190 0.000 0.000 0.424 70 E N 2.437 122.709 120.200 0.120 0.000 2.384 70 E HA 0.188 4.541 4.350 0.005 0.000 0.266 70 E C 0.411 177.102 176.600 0.153 0.000 1.012 70 E CA -0.229 56.244 56.400 0.122 0.000 0.901 70 E CB 1.445 31.194 29.700 0.081 0.000 0.967 70 E HN 0.665 9.025 8.360 0.000 0.000 0.435 71 K N 2.061 122.590 120.400 0.215 0.000 2.103 71 K HA -0.223 4.100 4.320 0.005 0.000 0.207 71 K C 1.901 178.680 176.600 0.298 0.000 1.048 71 K CA 1.770 58.261 56.287 0.340 0.000 0.930 71 K CB -0.188 32.548 32.500 0.393 0.000 0.716 71 K HN 0.723 8.973 8.250 0.000 0.000 0.444 72 D N 0.976 121.490 120.400 0.190 0.000 2.264 72 D HA -0.115 4.528 4.640 0.005 0.000 0.208 72 D C 1.733 178.102 176.300 0.115 0.000 0.966 72 D CA 0.837 54.926 54.000 0.150 0.000 0.864 72 D CB -0.311 40.547 40.800 0.097 0.000 0.933 72 D HN 0.299 8.669 8.370 0.000 0.000 0.499 73 R N -1.044 119.505 120.500 0.082 0.000 2.334 73 R HA 0.328 4.671 4.340 0.005 0.000 0.216 73 R C 0.189 176.480 176.300 -0.015 0.000 0.905 73 R CA -0.230 55.886 56.100 0.027 0.000 1.064 73 R CB 0.537 30.837 30.300 0.001 0.000 1.046 73 R HN 0.378 8.648 8.270 0.000 0.000 0.508 74 I N 1.878 122.438 120.570 -0.018 0.000 2.308 74 I HA -0.032 4.141 4.170 0.005 0.000 0.293 74 I C 1.466 177.504 176.117 -0.132 0.000 1.078 74 I CA -0.055 61.110 61.300 -0.224 0.000 1.292 74 I CB 1.489 39.134 38.000 -0.591 0.000 1.423 74 I HN 0.110 8.320 8.210 0.000 0.000 0.493 75 S N 3.541 119.170 115.700 -0.119 0.000 2.406 75 S HA -0.035 4.438 4.470 0.005 0.000 0.224 75 S C 0.707 175.306 174.600 -0.001 0.000 1.030 75 S CA 0.348 58.550 58.200 0.004 0.000 0.958 75 S CB 0.106 63.302 63.200 -0.007 0.000 0.811 75 S HN 0.601 8.911 8.310 0.000 0.000 0.489 76 D N 0.591 120.880 120.400 -0.185 0.000 2.329 76 D HA 0.434 5.077 4.640 0.005 0.000 0.232 76 D C -1.704 174.416 176.300 -0.301 0.000 1.088 76 D CA -0.447 53.472 54.000 -0.135 0.000 0.835 76 D CB 0.602 41.327 40.800 -0.125 0.000 1.078 76 D HN 0.373 8.743 8.370 0.000 0.000 0.495 77 W N 2.204 123.459 121.300 -0.075 0.000 2.639 77 W HA 0.689 5.352 4.660 0.003 0.000 0.347 77 W C 0.725 177.184 176.519 -0.100 0.000 1.067 77 W CA -0.573 56.710 57.345 -0.103 0.000 1.218 77 W CB 2.110 31.527 29.460 -0.071 0.000 1.393 77 W HN 0.398 8.578 8.180 0.000 0.000 0.557 78 G N 0.088 108.956 108.800 0.113 0.000 3.086 78 G HA2 0.694 4.657 3.960 0.005 0.000 0.282 78 G HA3 0.694 4.657 3.960 0.005 0.000 0.282 78 G C -1.419 173.503 174.900 0.037 0.000 1.343 78 G CA -0.663 44.458 45.100 0.034 0.000 0.895 78 G HN 0.396 8.686 8.290 0.000 0.000 0.557 79 E N -3.174 117.024 120.200 -0.003 0.000 2.366 79 E HA 0.739 5.092 4.350 0.005 0.000 0.278 79 E C -0.362 176.229 176.600 -0.015 0.000 0.923 79 E CA -0.370 56.032 56.400 0.002 0.000 0.761 79 E CB 0.459 30.172 29.700 0.022 0.000 1.231 79 E HN 1.914 10.274 8.360 0.000 0.000 0.443 80 L N 0.871 122.095 121.223 0.002 0.000 2.466 80 L HA 0.682 5.025 4.340 0.005 0.000 0.257 80 L C -0.884 176.001 176.870 0.025 0.000 1.189 80 L CA -1.300 53.550 54.840 0.016 0.000 0.813 80 L CB -0.889 41.213 42.059 0.073 0.000 1.118 80 L HN 0.738 8.968 8.230 0.000 0.000 0.471 81 P HA -0.207 4.213 4.420 0.000 0.000 0.218 81 P C 0.961 178.277 177.300 0.026 0.000 1.154 81 P CA 1.964 65.075 63.100 0.018 0.000 0.872 81 P CB 0.024 31.734 31.700 0.017 0.000 0.790 82 N N -1.730 116.993 118.700 0.040 0.000 2.461 82 N HA 0.024 4.767 4.740 0.005 0.000 0.188 82 N C 1.163 176.701 175.510 0.046 0.000 1.134 82 N CA 1.092 54.167 53.050 0.042 0.000 0.878 82 N CB -0.540 37.977 38.487 0.050 0.000 0.972 82 N HN 0.235 8.615 8.380 0.000 0.000 0.456 83 G N -0.954 107.873 108.800 0.046 0.000 2.141 83 G HA2 -0.231 3.732 3.960 0.005 0.000 0.231 83 G HA3 -0.231 3.732 3.960 0.005 0.000 0.231 83 G C 0.350 175.289 174.900 0.064 0.000 0.984 83 G CA 0.346 45.472 45.100 0.043 0.000 0.660 83 G HN 0.837 9.127 8.290 0.000 0.000 0.525 84 T N 0.193 114.805 114.554 0.096 0.000 2.870 84 T HA 0.565 4.918 4.350 0.005 0.000 0.300 84 T C 0.585 175.356 174.700 0.118 0.000 0.989 84 T CA 0.561 62.748 62.100 0.145 0.000 1.139 84 T CB 0.310 69.327 68.868 0.247 0.000 0.920 84 T HN 0.528 8.768 8.240 0.000 0.000 0.537 85 R N 3.166 123.750 120.500 0.139 0.000 2.242 85 R HA 0.477 4.820 4.340 0.005 0.000 0.334 85 R C -0.328 176.123 176.300 0.251 0.000 1.071 85 R CA -0.220 55.969 56.100 0.149 0.000 0.922 85 R CB -0.131 30.205 30.300 0.061 0.000 1.023 85 R HN 0.650 8.920 8.270 0.000 0.000 0.458 86 V N 2.135 122.107 119.914 0.097 0.000 3.102 86 V HA 0.654 4.777 4.120 0.005 0.000 0.312 86 V C -2.691 173.153 176.094 -0.416 0.000 1.135 86 V CA -3.102 58.998 62.300 -0.332 0.000 1.022 86 V CB 1.894 33.323 31.823 -0.657 0.000 1.056 86 V HN 0.598 8.788 8.190 0.000 0.000 0.436 87 P HA 0.145 4.565 4.420 0.000 0.000 0.267 87 P C 0.587 177.566 177.300 -0.535 0.000 1.200 87 P CA -0.058 62.496 63.100 -0.909 0.000 0.772 87 P CB 0.395 31.545 31.700 -0.918 0.000 0.855 88 M N 3.161 122.522 119.600 -0.399 0.000 2.202 88 M HA -0.213 4.271 4.480 0.005 0.000 0.262 88 M C 1.766 177.917 176.300 -0.250 0.000 1.063 88 M CA 1.794 56.946 55.300 -0.247 0.000 1.097 88 M CB -1.105 31.393 32.600 -0.170 0.000 1.382 88 M HN 0.471 8.761 8.290 0.000 0.000 0.413 89 E N -0.894 119.136 120.200 -0.284 0.000 2.097 89 E HA -0.201 4.152 4.350 0.005 0.000 0.196 89 E C 1.721 178.165 176.600 -0.261 0.000 1.000 89 E CA 1.893 58.161 56.400 -0.220 0.000 0.804 89 E CB -0.097 29.480 29.700 -0.205 0.000 0.740 89 E HN 0.441 8.801 8.360 0.000 0.000 0.454 90 V N 0.267 119.955 119.914 -0.377 0.000 2.358 90 V HA -0.220 3.903 4.120 0.005 0.000 0.246 90 V C 2.389 178.282 176.094 -0.336 0.000 1.047 90 V CA 1.315 63.355 62.300 -0.433 0.000 1.035 90 V CB -0.144 31.228 31.823 -0.752 0.000 0.658 90 V HN 0.206 8.396 8.190 0.000 0.000 0.452 91 V N -0.044 119.695 119.914 -0.292 0.000 2.295 91 V HA -0.269 3.854 4.120 0.005 0.000 0.246 91 V C 2.312 178.300 176.094 -0.177 0.000 1.049 91 V CA 2.059 64.240 62.300 -0.199 0.000 1.024 91 V CB -0.566 31.165 31.823 -0.154 0.000 0.648 91 V HN 0.435 8.625 8.190 0.000 0.000 0.447 92 L N -0.880 120.233 121.223 -0.184 0.000 2.017 92 L HA -0.189 4.154 4.340 0.005 0.000 0.208 92 L C 2.465 179.133 176.870 -0.337 0.000 1.073 92 L CA 1.538 56.260 54.840 -0.197 0.000 0.745 92 L CB -0.609 41.377 42.059 -0.120 0.000 0.894 92 L HN 0.293 8.523 8.230 0.000 0.000 0.432 93 L N -0.235 120.771 121.223 -0.360 0.000 2.046 93 L HA -0.235 4.108 4.340 0.005 0.000 0.208 93 L C 2.715 179.435 176.870 -0.250 0.000 1.077 93 L CA 1.455 56.062 54.840 -0.388 0.000 0.747 93 L CB -0.422 41.476 42.059 -0.268 0.000 0.896 93 L HN 0.218 8.448 8.230 0.000 0.000 0.432 94 K N 0.083 120.374 120.400 -0.182 0.000 2.063 94 K HA -0.214 4.109 4.320 0.005 0.000 0.208 94 K C 2.123 178.656 176.600 -0.112 0.000 1.048 94 K CA 1.456 57.675 56.287 -0.112 0.000 0.928 94 K CB -0.114 32.339 32.500 -0.079 0.000 0.713 94 K HN 0.247 8.497 8.250 0.000 0.000 0.442 95 K N 0.545 120.863 120.400 -0.136 0.000 2.147 95 K HA -0.118 4.205 4.320 0.005 0.000 0.205 95 K C 1.955 178.473 176.600 -0.136 0.000 1.049 95 K CA 1.581 57.795 56.287 -0.121 0.000 0.936 95 K CB 0.009 32.439 32.500 -0.116 0.000 0.722 95 K HN 0.154 8.404 8.250 0.000 0.000 0.446 96 V N -3.262 116.547 119.914 -0.176 0.000 3.650 96 V HA 0.123 4.246 4.120 0.005 0.000 0.271 96 V C 1.209 177.339 176.094 0.059 0.000 1.281 96 V CA 0.583 62.825 62.300 -0.096 0.000 1.120 96 V CB 0.855 32.563 31.823 -0.190 0.000 0.856 96 V HN -0.018 8.172 8.190 0.000 0.000 0.443 97 S N 1.500 117.170 115.700 -0.051 0.000 2.575 97 S HA 0.185 4.658 4.470 0.005 0.000 0.215 97 S C 1.017 175.581 174.600 -0.061 0.000 0.966 97 S CA 0.545 58.711 58.200 -0.056 0.000 0.911 97 S CB -0.206 62.944 63.200 -0.083 0.000 0.780 97 S HN 0.883 9.193 8.310 0.000 0.000 0.514 98 S N 1.426 117.109 115.700 -0.027 0.000 2.513 98 S HA 0.679 5.152 4.470 0.005 0.000 0.276 98 S C 0.647 175.212 174.600 -0.058 0.000 1.254 98 S CA -0.045 58.122 58.200 -0.056 0.000 1.053 98 S CB 0.835 64.015 63.200 -0.034 0.000 0.958 98 S HN 0.656 8.966 8.310 0.000 0.000 0.491 99 G N 1.888 110.579 108.800 -0.181 0.000 2.782 99 G HA2 -0.131 3.832 3.960 0.005 0.000 0.228 99 G HA3 -0.131 3.832 3.960 0.005 0.000 0.228 99 G C -0.740 173.940 174.900 -0.366 0.000 1.372 99 G CA -0.570 44.383 45.100 -0.245 0.000 0.862 99 G HN 0.795 9.085 8.290 0.000 0.000 0.547 100 F N 1.484 121.404 119.950 -0.051 0.000 2.384 100 F HA 0.702 5.233 4.527 0.005 0.000 0.338 100 F C 1.153 176.842 175.800 -0.184 0.000 1.103 100 F CA 0.565 58.513 58.000 -0.088 0.000 1.157 100 F CB 2.050 41.017 39.000 -0.056 0.000 1.167 100 F HN 1.094 9.394 8.300 0.000 0.000 0.529 101 S N 0.047 115.720 115.700 -0.046 0.000 2.636 101 S HA 0.543 5.016 4.470 0.005 0.000 0.268 101 S C -0.093 174.424 174.600 -0.138 0.000 1.159 101 S CA -0.515 57.531 58.200 -0.258 0.000 0.815 101 S CB 1.043 63.779 63.200 -0.773 0.000 1.130 101 S HN 0.868 9.178 8.310 0.000 0.000 0.471 102 G N 0.101 108.809 108.800 -0.154 0.000 3.424 102 G HA2 0.477 4.440 3.960 0.005 0.000 0.263 102 G HA3 0.477 4.440 3.960 0.005 0.000 0.263 102 G C -0.349 174.517 174.900 -0.056 0.000 1.310 102 G CA -0.087 44.957 45.100 -0.093 0.000 1.089 102 G HN 0.742 9.032 8.290 0.000 0.000 0.534 103 V N 1.523 121.417 119.914 -0.034 0.000 2.555 103 V HA 0.301 4.424 4.120 0.005 0.000 0.302 103 V C 0.066 176.184 176.094 0.039 0.000 1.038 103 V CA -1.270 61.069 62.300 0.065 0.000 0.887 103 V CB 2.060 33.971 31.823 0.147 0.000 0.991 103 V HN 0.085 8.275 8.190 0.000 0.000 0.434 104 I N 4.414 125.024 120.570 0.067 0.000 2.662 104 I HA 0.131 4.305 4.170 0.005 0.000 0.285 104 I C 0.854 176.984 176.117 0.021 0.000 1.161 104 I CA 0.582 61.906 61.300 0.039 0.000 1.415 104 I CB -0.006 38.017 38.000 0.039 0.000 1.385 104 I HN 0.599 8.809 8.210 0.000 0.000 0.552 105 R N 4.968 125.468 120.500 -0.001 0.000 2.404 105 R HA 0.388 4.731 4.340 0.005 0.000 0.291 105 R C -0.438 175.850 176.300 -0.020 0.000 1.025 105 R CA -1.019 55.064 56.100 -0.029 0.000 0.991 105 R CB 1.093 31.369 30.300 -0.041 0.000 1.053 105 R HN 0.336 8.606 8.270 0.000 0.000 0.479 106 L N 4.002 125.203 121.223 -0.037 0.000 2.315 106 L HA 0.108 4.451 4.340 0.005 0.000 0.283 106 L C 0.314 177.192 176.870 0.012 0.000 1.089 106 L CA 0.556 55.390 54.840 -0.009 0.000 0.833 106 L CB 0.512 42.558 42.059 -0.022 0.000 1.170 106 L HN 0.711 8.941 8.230 0.000 0.000 0.442 107 L N 2.973 124.214 121.223 0.031 0.000 2.298 107 L HA 0.325 4.668 4.340 0.005 0.000 0.209 107 L C 0.163 177.057 176.870 0.040 0.000 1.084 107 L CA 0.293 55.158 54.840 0.042 0.000 0.816 107 L CB -0.054 42.049 42.059 0.073 0.000 0.967 107 L HN 0.650 8.880 8.230 0.000 0.000 0.460 108 D N -1.892 118.532 120.400 0.041 0.000 2.710 108 D HA 0.281 4.924 4.640 0.005 0.000 0.276 108 D C -2.021 174.280 176.300 0.001 0.000 1.267 108 D CA -0.416 53.542 54.000 -0.069 0.000 0.772 108 D CB 1.660 42.396 40.800 -0.106 0.000 1.299 108 D HN -0.006 8.364 8.370 0.000 0.000 0.421 109 W N 0.888 121.976 121.300 -0.353 0.000 3.137 109 W HA 0.720 5.384 4.660 0.006 0.000 0.324 109 W C -2.034 174.172 176.519 -0.522 0.000 1.253 109 W CA -1.017 56.178 57.345 -0.248 0.000 1.183 109 W CB 0.303 29.723 29.460 -0.068 0.000 1.424 109 W HN 0.282 8.462 8.180 0.000 0.000 0.566 110 F N 1.304 121.452 119.950 0.331 0.000 2.578 110 F HA 0.340 4.870 4.527 0.005 0.000 0.311 110 F C -0.097 175.898 175.800 0.325 0.000 1.094 110 F CA -0.976 57.106 58.000 0.137 0.000 0.923 110 F CB 2.580 41.602 39.000 0.037 0.000 1.230 110 F HN 0.367 8.667 8.300 0.000 0.000 0.450 111 E N 3.252 123.653 120.200 0.335 0.000 2.166 111 E HA 0.538 4.891 4.350 0.005 0.000 0.275 111 E C -0.829 175.741 176.600 -0.049 0.000 0.941 111 E CA -0.583 55.791 56.400 -0.044 0.000 0.784 111 E CB 1.148 30.820 29.700 -0.046 0.000 1.115 111 E HN 0.627 8.987 8.360 0.000 0.000 0.399 112 R N 3.563 123.978 120.500 -0.141 0.000 2.856 112 R HA 0.294 4.637 4.340 0.005 0.000 0.258 112 R C -1.797 174.450 176.300 -0.087 0.000 1.066 112 R CA -1.969 54.095 56.100 -0.059 0.000 1.045 112 R CB 0.801 31.098 30.300 -0.006 0.000 1.178 112 R HN 0.387 8.657 8.270 0.000 0.000 0.499 113 P HA -0.166 4.254 4.420 0.000 0.000 0.216 113 P C -0.088 177.204 177.300 -0.013 0.000 1.153 113 P CA 1.513 64.600 63.100 -0.022 0.000 0.858 113 P CB 0.267 31.964 31.700 -0.004 0.000 0.789 114 D N -2.068 118.333 120.400 0.001 0.000 2.469 114 D HA 0.134 4.777 4.640 0.005 0.000 0.215 114 D C 0.320 176.656 176.300 0.060 0.000 1.154 114 D CA 0.377 54.398 54.000 0.036 0.000 0.832 114 D CB 0.510 41.334 40.800 0.039 0.000 1.008 114 D HN 0.224 8.594 8.370 0.000 0.000 0.506 115 S N -0.989 114.721 115.700 0.017 0.000 2.588 115 S HA 0.622 5.095 4.470 0.005 0.000 0.269 115 S C -1.093 173.471 174.600 -0.060 0.000 1.157 115 S CA -0.902 57.345 58.200 0.078 0.000 0.824 115 S CB 1.384 64.671 63.200 0.145 0.000 1.126 115 S HN -0.114 8.196 8.310 0.000 0.000 0.464 116 F N 0.394 120.424 119.950 0.133 0.000 2.458 116 F HA 0.741 5.270 4.527 0.004 0.000 0.330 116 F C -0.242 175.624 175.800 0.111 0.000 1.082 116 F CA -0.718 57.370 58.000 0.146 0.000 0.995 116 F CB 2.172 41.212 39.000 0.068 0.000 1.170 116 F HN 0.477 8.777 8.300 0.000 0.000 0.478 117 V N 4.086 124.190 119.914 0.317 0.000 2.531 117 V HA 0.454 4.577 4.120 0.005 0.000 0.301 117 V C -0.890 175.345 176.094 0.236 0.000 1.034 117 V CA -0.704 61.658 62.300 0.104 0.000 0.865 117 V CB 1.667 33.463 31.823 -0.044 0.000 0.995 117 V HN 0.401 8.591 8.190 0.000 0.000 0.424 118 L N 5.686 126.972 121.223 0.105 0.000 2.322 118 L HA 0.584 4.927 4.340 0.005 0.000 0.281 118 L C -0.376 176.514 176.870 0.034 0.000 1.014 118 L CA -0.325 54.587 54.840 0.119 0.000 0.815 118 L CB 1.759 43.855 42.059 0.061 0.000 1.247 118 L HN 0.380 8.610 8.230 0.000 0.000 0.421 119 I N 4.871 125.461 120.570 0.032 0.000 2.312 119 I HA 0.427 4.600 4.170 0.005 0.000 0.290 119 I C -0.133 175.978 176.117 -0.010 0.000 1.008 119 I CA -0.362 60.898 61.300 -0.067 0.000 1.226 119 I CB 0.901 38.808 38.000 -0.155 0.000 1.371 119 I HN 0.413 8.623 8.210 0.000 0.000 0.468 120 L N 4.980 126.197 121.223 -0.011 0.000 2.319 120 L HA 0.468 4.811 4.340 0.005 0.000 0.267 120 L C 0.627 177.509 176.870 0.021 0.000 1.011 120 L CA -0.861 53.985 54.840 0.009 0.000 0.818 120 L CB 1.471 43.534 42.059 0.007 0.000 1.316 120 L HN 0.463 8.693 8.230 0.000 0.000 0.432 121 E N 1.209 121.425 120.200 0.026 0.000 2.436 121 E HA 0.129 4.482 4.350 0.005 0.000 0.262 121 E C -0.430 176.188 176.600 0.029 0.000 1.063 121 E CA 0.163 56.584 56.400 0.036 0.000 0.944 121 E CB 0.707 30.428 29.700 0.034 0.000 0.950 121 E HN 0.283 8.643 8.360 0.000 0.000 0.444 122 R N 3.099 123.621 120.500 0.036 0.000 2.500 122 R HA 0.290 4.633 4.340 0.005 0.000 0.299 122 R C -2.710 173.608 176.300 0.030 0.000 1.038 122 R CA -1.897 54.221 56.100 0.029 0.000 0.903 122 R CB 1.044 31.366 30.300 0.038 0.000 1.177 122 R HN 0.251 8.521 8.270 0.000 0.000 0.455 123 P HA 0.173 4.593 4.420 0.000 0.000 0.274 123 P C -1.338 175.977 177.300 0.025 0.000 1.237 123 P CA -0.302 62.810 63.100 0.020 0.000 0.793 123 P CB 0.875 32.578 31.700 0.005 0.000 0.977 124 E N 0.970 121.187 120.200 0.029 0.000 2.291 124 E HA 0.318 4.671 4.350 0.005 0.000 0.276 124 E C -2.512 174.108 176.600 0.034 0.000 0.896 124 E CA -1.944 54.475 56.400 0.033 0.000 0.774 124 E CB 1.406 31.127 29.700 0.035 0.000 1.227 124 E HN 0.360 8.720 8.360 0.000 0.000 0.413 125 P HA 0.220 4.640 4.420 0.000 0.000 0.274 125 P C -1.083 176.243 177.300 0.044 0.000 1.231 125 P CA -0.475 62.652 63.100 0.045 0.000 0.790 125 P CB 1.309 33.041 31.700 0.055 0.000 0.951 126 V N 1.069 121.008 119.914 0.042 0.000 3.049 126 V HA 0.499 4.622 4.120 0.005 0.000 0.309 126 V C -1.303 174.820 176.094 0.047 0.000 1.148 126 V CA -0.497 61.820 62.300 0.029 0.000 0.990 126 V CB 2.204 34.033 31.823 0.009 0.000 1.039 126 V HN 0.767 8.957 8.190 0.000 0.000 0.430 127 Q N 2.326 122.152 119.800 0.044 0.000 2.309 127 Q HA 0.427 4.770 4.340 0.005 0.000 0.273 127 Q C -1.609 174.418 176.000 0.044 0.000 1.040 127 Q CA -0.737 55.115 55.803 0.082 0.000 0.834 127 Q CB 2.214 31.057 28.738 0.175 0.000 1.345 127 Q HN 1.009 9.279 8.270 0.000 0.000 0.414 128 D N 1.522 121.961 120.400 0.065 0.000 2.358 128 D HA 0.025 4.668 4.640 0.005 0.000 0.244 128 D C 0.742 177.108 176.300 0.111 0.000 1.163 128 D CA -0.528 53.500 54.000 0.046 0.000 0.945 128 D CB 0.819 41.645 40.800 0.045 0.000 1.152 128 D HN 0.466 8.836 8.370 0.000 0.000 0.451 129 L N 1.091 122.355 121.223 0.069 0.000 2.217 129 L HA 0.069 4.412 4.340 0.005 0.000 0.211 129 L C 1.693 178.708 176.870 0.242 0.000 1.107 129 L CA 1.241 56.152 54.840 0.119 0.000 0.783 129 L CB -0.885 41.192 42.059 0.030 0.000 0.919 129 L HN 0.647 8.877 8.230 0.000 0.000 0.442 130 F N 0.455 120.462 119.950 0.095 0.000 2.069 130 F HA -0.253 4.278 4.527 0.006 0.000 0.298 130 F C 2.083 177.955 175.800 0.119 0.000 1.113 130 F CA 2.073 60.136 58.000 0.104 0.000 1.214 130 F CB -0.254 38.786 39.000 0.067 0.000 0.978 130 F HN 0.167 8.467 8.300 0.000 0.000 0.474 131 D N -0.049 120.543 120.400 0.320 0.000 2.144 131 D HA -0.214 4.429 4.640 0.005 0.000 0.199 131 D C 2.031 178.403 176.300 0.119 0.000 0.984 131 D CA 1.371 55.486 54.000 0.192 0.000 0.834 131 D CB -0.730 40.204 40.800 0.222 0.000 0.955 131 D HN 0.372 8.742 8.370 0.000 0.000 0.465 132 F N 1.026 120.999 119.950 0.039 0.000 2.102 132 F HA -0.113 4.417 4.527 0.005 0.000 0.298 132 F C 2.166 177.973 175.800 0.012 0.000 1.105 132 F CA 1.201 59.232 58.000 0.052 0.000 1.239 132 F CB -0.122 38.944 39.000 0.110 0.000 0.991 132 F HN -0.123 8.177 8.300 0.000 0.000 0.474 133 I N -0.765 119.902 120.570 0.160 0.000 2.353 133 I HA -0.270 3.903 4.170 0.005 0.000 0.248 133 I C 2.195 178.226 176.117 -0.143 0.000 1.119 133 I CA 1.483 62.790 61.300 0.011 0.000 1.417 133 I CB -0.794 37.229 38.000 0.037 0.000 1.078 133 I HN 0.112 8.322 8.210 0.000 0.000 0.421 134 T N 0.346 114.757 114.554 -0.238 0.000 2.684 134 T HA -0.214 4.139 4.350 0.005 0.000 0.267 134 T C 1.752 176.361 174.700 -0.151 0.000 1.036 134 T CA 1.571 63.521 62.100 -0.249 0.000 1.148 134 T CB -0.268 68.407 68.868 -0.323 0.000 0.863 134 T HN 0.424 8.664 8.240 0.000 0.000 0.436 135 E N 0.504 120.620 120.200 -0.140 0.000 2.072 135 E HA -0.036 4.317 4.350 0.005 0.000 0.191 135 E C 2.402 178.897 176.600 -0.175 0.000 0.985 135 E CA 0.796 57.114 56.400 -0.136 0.000 0.801 135 E CB -0.019 29.602 29.700 -0.132 0.000 0.750 135 E HN 0.376 8.736 8.360 0.000 0.000 0.452 136 R N -0.220 120.127 120.500 -0.255 0.000 2.308 136 R HA 0.175 4.518 4.340 0.005 0.000 0.202 136 R C 0.800 177.003 176.300 -0.161 0.000 0.898 136 R CA 0.337 56.282 56.100 -0.258 0.000 1.046 136 R CB 1.014 31.029 30.300 -0.474 0.000 1.026 136 R HN 0.144 8.414 8.270 0.000 0.000 0.512 137 G N 1.207 109.927 108.800 -0.133 0.000 2.693 137 G HA2 -0.260 3.703 3.960 0.005 0.000 0.226 137 G HA3 -0.260 3.703 3.960 0.005 0.000 0.226 137 G C -0.335 174.523 174.900 -0.070 0.000 1.354 137 G CA -0.561 44.484 45.100 -0.092 0.000 0.873 137 G HN 0.400 8.690 8.290 0.000 0.000 0.562 138 A N -0.460 122.323 122.820 -0.060 0.000 2.565 138 A HA 0.477 4.800 4.320 0.005 0.000 0.237 138 A C 0.954 178.516 177.584 -0.037 0.000 1.053 138 A CA 0.658 52.663 52.037 -0.054 0.000 0.755 138 A CB -0.233 18.724 19.000 -0.070 0.000 0.980 138 A HN 1.278 9.428 8.150 0.000 0.000 0.506 139 L N 2.701 123.913 121.223 -0.018 0.000 2.350 139 L HA 0.185 4.528 4.340 0.005 0.000 0.275 139 L C 0.819 177.668 176.870 -0.035 0.000 1.099 139 L CA -0.410 54.419 54.840 -0.019 0.000 0.808 139 L CB 0.629 42.682 42.059 -0.009 0.000 1.149 139 L HN 0.776 9.006 8.230 0.000 0.000 0.442 140 Q N 1.707 121.480 119.800 -0.045 0.000 2.304 140 Q HA -0.078 4.265 4.340 0.005 0.000 0.301 140 Q C 0.761 176.743 176.000 -0.029 0.000 1.063 140 Q CA 0.250 56.038 55.803 -0.024 0.000 0.947 140 Q CB 0.785 29.529 28.738 0.010 0.000 1.201 140 Q HN 0.548 8.818 8.270 0.000 0.000 0.389 141 E N 1.920 122.153 120.200 0.054 0.000 2.153 141 E HA -0.266 4.087 4.350 0.005 0.000 0.194 141 E C 1.564 178.194 176.600 0.050 0.000 0.988 141 E CA 1.019 57.533 56.400 0.190 0.000 0.811 141 E CB 0.116 30.020 29.700 0.340 0.000 0.746 141 E HN 0.645 9.005 8.360 0.000 0.000 0.466 142 E N 0.719 120.886 120.200 -0.054 0.000 2.085 142 E HA -0.230 4.123 4.350 0.005 0.000 0.194 142 E C 2.113 178.550 176.600 -0.272 0.000 0.994 142 E CA 0.812 57.131 56.400 -0.135 0.000 0.801 142 E CB 0.036 29.730 29.700 -0.010 0.000 0.743 142 E HN 0.118 8.478 8.360 0.000 0.000 0.453 143 L N 0.700 121.630 121.223 -0.488 0.000 2.072 143 L HA -0.004 4.339 4.340 0.005 0.000 0.205 143 L C 2.271 178.812 176.870 -0.548 0.000 1.079 143 L CA 2.090 56.459 54.840 -0.785 0.000 0.752 143 L CB -0.793 40.656 42.059 -1.018 0.000 0.906 143 L HN 0.160 8.390 8.230 0.000 0.000 0.436 144 A N -0.206 122.479 122.820 -0.224 0.000 1.908 144 A HA -0.276 4.047 4.320 0.005 0.000 0.218 144 A C 2.546 180.292 177.584 0.270 0.000 1.181 144 A CA 1.937 54.020 52.037 0.077 0.000 0.627 144 A CB -0.703 18.419 19.000 0.204 0.000 0.818 144 A HN 0.528 8.678 8.150 0.000 0.000 0.445 145 R N -0.423 120.134 120.500 0.094 0.000 2.083 145 R HA -0.143 4.200 4.340 0.005 0.000 0.237 145 R C 2.507 178.856 176.300 0.081 0.000 1.137 145 R CA 1.971 57.986 56.100 -0.141 0.000 0.951 145 R CB -0.450 29.466 30.300 -0.640 0.000 0.851 145 R HN 0.500 8.770 8.270 0.000 0.000 0.434 146 S N -0.374 115.329 115.700 0.004 0.000 2.359 146 S HA -0.137 4.336 4.470 0.005 0.000 0.224 146 S C 1.815 176.620 174.600 0.343 0.000 1.035 146 S CA 1.191 59.456 58.200 0.108 0.000 1.018 146 S CB -0.333 62.881 63.200 0.024 0.000 0.876 146 S HN 0.379 8.689 8.310 0.000 0.000 0.448 147 F N 0.878 120.879 119.950 0.084 0.000 2.102 147 F HA 0.091 4.621 4.527 0.005 0.000 0.298 147 F C 2.100 177.999 175.800 0.165 0.000 1.105 147 F CA 0.334 58.382 58.000 0.079 0.000 1.239 147 F CB -1.558 37.466 39.000 0.040 0.000 0.991 147 F HN 0.306 8.606 8.300 0.000 0.000 0.474 148 F N -0.369 119.767 119.950 0.310 0.000 2.134 148 F HA -0.238 4.292 4.527 0.005 0.000 0.299 148 F C 2.497 178.408 175.800 0.184 0.000 1.097 148 F CA 1.528 59.667 58.000 0.233 0.000 1.264 148 F CB -0.696 38.501 39.000 0.328 0.000 1.001 148 F HN 0.116 8.416 8.300 0.000 0.000 0.479 149 W N 1.422 122.770 121.300 0.080 0.000 2.335 149 W HA -0.263 4.401 4.660 0.006 0.000 0.311 149 W C 2.126 178.573 176.519 -0.122 0.000 1.213 149 W CA 2.240 59.552 57.345 -0.054 0.000 1.274 149 W CB -0.727 28.732 29.460 -0.003 0.000 1.148 149 W HN 0.184 8.364 8.180 0.000 0.000 0.498 150 Q N -0.190 119.686 119.800 0.126 0.000 2.124 150 Q HA -0.202 4.141 4.340 0.005 0.000 0.202 150 Q C 2.153 178.039 176.000 -0.189 0.000 0.977 150 Q CA 2.020 57.811 55.803 -0.020 0.000 0.850 150 Q CB -0.520 28.239 28.738 0.035 0.000 0.901 150 Q HN 0.154 8.424 8.270 0.000 0.000 0.429 151 V N 1.106 120.892 119.914 -0.213 0.000 2.358 151 V HA -0.255 3.868 4.120 0.005 0.000 0.246 151 V C 2.218 178.041 176.094 -0.451 0.000 1.047 151 V CA 1.444 63.567 62.300 -0.294 0.000 1.035 151 V CB -0.508 31.171 31.823 -0.240 0.000 0.658 151 V HN 0.332 8.522 8.190 0.000 0.000 0.452 152 L N -0.378 120.475 121.223 -0.617 0.000 2.012 152 L HA -0.189 4.154 4.340 0.005 0.000 0.210 152 L C 2.779 179.233 176.870 -0.693 0.000 1.073 152 L CA 1.581 55.965 54.840 -0.760 0.000 0.748 152 L CB -0.708 40.845 42.059 -0.844 0.000 0.891 152 L HN 0.330 8.560 8.230 0.000 0.000 0.431 153 E N 0.115 119.950 120.200 -0.608 0.000 2.077 153 E HA -0.224 4.129 4.350 0.005 0.000 0.193 153 E C 2.281 178.707 176.600 -0.289 0.000 0.989 153 E CA 1.432 57.570 56.400 -0.437 0.000 0.800 153 E CB -0.221 29.274 29.700 -0.342 0.000 0.746 153 E HN 0.511 8.871 8.360 0.000 0.000 0.452 154 A N 1.014 123.676 122.820 -0.264 0.000 1.902 154 A HA -0.125 4.198 4.320 0.005 0.000 0.217 154 A C 2.616 180.107 177.584 -0.155 0.000 1.181 154 A CA 1.389 53.333 52.037 -0.154 0.000 0.623 154 A CB -0.618 18.293 19.000 -0.148 0.000 0.818 154 A HN 0.133 8.283 8.150 0.000 0.000 0.443 155 V N 0.016 119.717 119.914 -0.355 0.000 2.427 155 V HA -0.246 3.877 4.120 0.005 0.000 0.248 155 V C 2.602 178.333 176.094 -0.606 0.000 1.051 155 V CA 2.110 64.117 62.300 -0.489 0.000 1.048 155 V CB -0.839 30.579 31.823 -0.674 0.000 0.666 155 V HN 0.513 8.704 8.190 0.000 0.000 0.456 156 R N -0.565 119.561 120.500 -0.622 0.000 2.091 156 R HA -0.218 4.125 4.340 0.005 0.000 0.238 156 R C 2.329 178.574 176.300 -0.091 0.000 1.136 156 R CA 1.987 57.863 56.100 -0.373 0.000 0.959 156 R CB -0.584 29.523 30.300 -0.322 0.000 0.856 156 R HN 0.687 8.957 8.270 0.000 0.000 0.437 157 H N 0.259 119.243 119.070 -0.144 0.000 2.290 157 H HA -0.146 4.413 4.556 0.005 0.000 0.298 157 H C 2.012 177.351 175.328 0.018 0.000 1.087 157 H CA 2.159 58.178 56.048 -0.047 0.000 1.291 157 H CB -0.340 29.392 29.762 -0.050 0.000 1.369 157 H HN 0.165 8.445 8.280 0.000 0.000 0.492 158 C N 0.468 119.776 119.300 0.014 0.000 2.393 158 C HA -0.178 4.285 4.460 0.005 0.000 0.276 158 C C 2.582 177.664 174.990 0.153 0.000 1.215 158 C CA 1.443 60.510 59.018 0.082 0.000 1.743 158 C CB -1.301 26.620 27.740 0.302 0.000 2.044 158 C HN 0.724 8.954 8.230 0.000 0.000 0.464 159 H N 0.319 119.414 119.070 0.042 0.000 2.387 159 H HA -0.116 4.444 4.556 0.005 0.000 0.299 159 H C 1.916 177.263 175.328 0.033 0.000 1.090 159 H CA 1.153 57.256 56.048 0.091 0.000 1.332 159 H CB -0.148 29.749 29.762 0.224 0.000 1.386 159 H HN 0.511 8.791 8.280 0.000 0.000 0.516 160 N N 0.524 119.292 118.700 0.113 0.000 2.289 160 N HA -0.108 4.635 4.740 0.005 0.000 0.184 160 N C 1.544 177.026 175.510 -0.046 0.000 1.016 160 N CA 0.712 53.777 53.050 0.025 0.000 0.872 160 N CB -0.352 38.137 38.487 0.003 0.000 0.973 160 N HN 0.304 8.684 8.380 0.000 0.000 0.433 161 C N -0.215 119.010 119.300 -0.126 0.000 2.576 161 C HA 0.285 4.748 4.460 0.005 0.000 0.267 161 C C 1.562 176.515 174.990 -0.063 0.000 1.364 161 C CA 0.173 59.105 59.018 -0.144 0.000 1.723 161 C CB -1.166 26.406 27.740 -0.279 0.000 1.778 161 C HN 0.612 8.842 8.230 0.000 0.000 0.572 162 G N 0.591 109.384 108.800 -0.011 0.000 2.149 162 G HA2 -0.185 3.778 3.960 0.005 0.000 0.235 162 G HA3 -0.185 3.778 3.960 0.005 0.000 0.235 162 G C -0.157 174.755 174.900 0.020 0.000 1.018 162 G CA 0.332 45.434 45.100 0.003 0.000 0.728 162 G HN 0.420 8.710 8.290 0.000 0.000 0.508 163 V N 0.323 120.272 119.914 0.059 0.000 2.540 163 V HA 0.723 4.846 4.120 0.005 0.000 0.302 163 V C -0.051 176.168 176.094 0.208 0.000 1.035 163 V CA -1.015 61.352 62.300 0.113 0.000 0.873 163 V CB 1.883 33.767 31.823 0.102 0.000 0.992 163 V HN 0.363 8.553 8.190 0.000 0.000 0.428 164 L N 3.981 125.297 121.223 0.156 0.000 2.287 164 L HA 0.474 4.817 4.340 0.005 0.000 0.287 164 L C 1.240 178.218 176.870 0.181 0.000 1.022 164 L CA 0.157 55.094 54.840 0.162 0.000 0.814 164 L CB 0.972 43.029 42.059 -0.002 0.000 1.217 164 L HN 0.752 8.982 8.230 0.000 0.000 0.420 165 H N 5.032 124.159 119.070 0.096 0.000 2.326 165 H HA -0.026 4.534 4.556 0.006 0.000 0.301 165 H C 0.620 175.856 175.328 -0.154 0.000 1.081 165 H CA 1.995 57.953 56.048 -0.150 0.000 1.334 165 H CB 0.520 30.077 29.762 -0.342 0.000 1.385 165 H HN 0.731 9.011 8.280 0.000 0.000 0.504 166 R N -0.530 120.040 120.500 0.116 0.000 3.922 166 R HA -0.183 4.160 4.340 0.005 0.000 0.447 166 R C -0.490 175.862 176.300 0.086 0.000 1.035 166 R CA 1.167 57.304 56.100 0.061 0.000 1.289 166 R CB -1.717 28.560 30.300 -0.038 0.000 1.906 166 R HN 0.358 8.628 8.270 0.000 0.000 0.540 167 D N 0.328 120.853 120.400 0.208 0.000 2.940 167 D HA 0.274 4.917 4.640 0.005 0.000 0.366 167 D C -0.398 175.896 176.300 -0.010 0.000 1.446 167 D CA -0.298 53.739 54.000 0.062 0.000 0.780 167 D CB 0.297 41.044 40.800 -0.089 0.000 1.206 167 D HN 0.156 8.526 8.370 0.000 0.000 0.454 168 I N 2.196 122.700 120.570 -0.110 0.000 2.587 168 I HA 0.122 4.295 4.170 0.005 0.000 0.284 168 I C 0.509 176.405 176.117 -0.368 0.000 1.134 168 I CA 0.655 61.763 61.300 -0.320 0.000 1.410 168 I CB 0.160 38.035 38.000 -0.209 0.000 1.392 168 I HN 0.100 8.310 8.210 0.000 0.000 0.545 169 K N 3.256 123.385 120.400 -0.452 0.000 2.642 169 K HA 0.230 4.553 4.320 0.005 0.000 0.290 169 K C -0.262 176.187 176.600 -0.252 0.000 1.006 169 K CA -0.824 55.041 56.287 -0.704 0.000 0.869 169 K CB 0.796 32.495 32.500 -1.335 0.000 1.499 169 K HN 0.333 8.583 8.250 0.000 0.000 0.403 170 D N 0.931 121.318 120.400 -0.022 0.000 2.158 170 D HA -0.244 4.400 4.640 0.005 0.000 0.197 170 D C 0.951 177.292 176.300 0.069 0.000 0.995 170 D CA 1.686 55.751 54.000 0.109 0.000 0.846 170 D CB -0.236 40.727 40.800 0.271 0.000 0.941 170 D HN 0.697 9.067 8.370 0.000 0.000 0.456 171 E N -0.300 119.916 120.200 0.027 0.000 2.265 171 E HA -0.082 4.271 4.350 0.005 0.000 0.196 171 E C 0.700 177.236 176.600 -0.108 0.000 0.996 171 E CA 0.639 57.012 56.400 -0.045 0.000 0.832 171 E CB -0.113 29.495 29.700 -0.154 0.000 0.756 171 E HN 0.285 8.645 8.360 0.000 0.000 0.491 172 N N 0.255 118.868 118.700 -0.145 0.000 2.279 172 N HA 0.190 4.933 4.740 0.005 0.000 0.226 172 N C -0.635 174.770 175.510 -0.175 0.000 1.126 172 N CA 0.240 53.191 53.050 -0.165 0.000 0.846 172 N CB 0.727 39.112 38.487 -0.170 0.000 1.050 172 N HN 0.073 8.453 8.380 0.000 0.000 0.502 173 I N 1.231 121.715 120.570 -0.143 0.000 2.447 173 I HA 0.296 4.469 4.170 0.005 0.000 0.287 173 I C -0.553 175.479 176.117 -0.143 0.000 1.023 173 I CA -0.530 60.675 61.300 -0.158 0.000 1.083 173 I CB 1.974 39.876 38.000 -0.163 0.000 1.245 173 I HN -0.302 7.908 8.210 0.000 0.000 0.434 174 L N 6.890 128.024 121.223 -0.147 0.000 2.309 174 L HA 0.572 4.915 4.340 0.005 0.000 0.282 174 L C -0.465 176.285 176.870 -0.200 0.000 1.036 174 L CA -0.719 54.041 54.840 -0.133 0.000 0.806 174 L CB 1.719 43.724 42.059 -0.090 0.000 1.220 174 L HN 0.460 8.690 8.230 0.000 0.000 0.429 175 I N 2.169 122.610 120.570 -0.215 0.000 2.312 175 I HA 0.140 4.314 4.170 0.005 0.000 0.290 175 I C 0.009 176.048 176.117 -0.129 0.000 1.008 175 I CA -0.393 60.737 61.300 -0.283 0.000 1.226 175 I CB 1.369 39.109 38.000 -0.434 0.000 1.371 175 I HN 0.504 8.714 8.210 0.000 0.000 0.468 176 D N 7.105 127.446 120.400 -0.100 0.000 2.344 176 D HA 0.099 4.742 4.640 0.005 0.000 0.253 176 D C 0.893 177.198 176.300 0.008 0.000 1.255 176 D CA 0.128 54.111 54.000 -0.027 0.000 0.894 176 D CB 1.068 41.858 40.800 -0.016 0.000 1.067 176 D HN 0.502 8.872 8.370 0.000 0.000 0.492 177 L N 3.597 124.851 121.223 0.052 0.000 2.275 177 L HA -0.119 4.224 4.340 0.005 0.000 0.215 177 L C 1.735 178.720 176.870 0.191 0.000 1.119 177 L CA 0.481 55.391 54.840 0.118 0.000 0.790 177 L CB -0.170 41.976 42.059 0.145 0.000 0.919 177 L HN 0.299 8.529 8.230 0.000 0.000 0.443 178 N N 0.005 118.806 118.700 0.168 0.000 2.336 178 N HA -0.012 4.731 4.740 0.005 0.000 0.177 178 N C 1.741 177.413 175.510 0.271 0.000 1.018 178 N CA 0.842 54.047 53.050 0.258 0.000 0.878 178 N CB 0.090 38.642 38.487 0.109 0.000 0.997 178 N HN 0.209 8.589 8.380 0.000 0.000 0.433 179 R N -0.324 120.251 120.500 0.124 0.000 2.280 179 R HA 0.203 4.546 4.340 0.005 0.000 0.195 179 R C 0.696 177.020 176.300 0.040 0.000 0.935 179 R CA 0.519 56.663 56.100 0.073 0.000 1.033 179 R CB 0.271 30.591 30.300 0.034 0.000 0.964 179 R HN 0.163 8.433 8.270 0.000 0.000 0.489 180 G N 1.882 110.705 108.800 0.039 0.000 2.179 180 G HA2 -0.309 3.654 3.960 0.005 0.000 0.257 180 G HA3 -0.309 3.654 3.960 0.005 0.000 0.257 180 G C -0.376 174.529 174.900 0.008 0.000 1.010 180 G CA 0.231 45.355 45.100 0.039 0.000 0.736 180 G HN 0.384 8.674 8.290 0.000 0.000 0.513 181 E N -0.766 119.411 120.200 -0.037 0.000 2.191 181 E HA 0.607 4.960 4.350 0.005 0.000 0.278 181 E C -0.262 176.250 176.600 -0.147 0.000 0.972 181 E CA -0.952 55.408 56.400 -0.066 0.000 0.804 181 E CB 1.364 31.040 29.700 -0.039 0.000 1.110 181 E HN 0.095 8.455 8.360 0.000 0.000 0.394 182 L N 3.392 124.506 121.223 -0.183 0.000 2.325 182 L HA 0.366 4.709 4.340 0.005 0.000 0.279 182 L C -0.318 176.457 176.870 -0.158 0.000 1.054 182 L CA -0.317 54.375 54.840 -0.247 0.000 0.804 182 L CB 0.798 42.657 42.059 -0.332 0.000 1.200 182 L HN 0.290 8.520 8.230 0.000 0.000 0.436 183 K N 4.217 124.530 120.400 -0.145 0.000 2.443 183 K HA 0.523 4.846 4.320 0.005 0.000 0.252 183 K C -1.092 175.453 176.600 -0.091 0.000 0.933 183 K CA -0.565 55.668 56.287 -0.090 0.000 0.792 183 K CB 2.266 34.732 32.500 -0.056 0.000 1.185 183 K HN 0.431 8.681 8.250 0.000 0.000 0.425 184 L N 4.492 125.680 121.223 -0.058 0.000 2.349 184 L HA 0.478 4.821 4.340 0.005 0.000 0.275 184 L C 0.719 177.613 176.870 0.040 0.000 1.115 184 L CA -0.642 54.153 54.840 -0.076 0.000 0.820 184 L CB 0.188 42.188 42.059 -0.099 0.000 1.135 184 L HN 0.569 8.799 8.230 0.000 0.000 0.445 185 I N -1.203 119.356 120.570 -0.018 0.000 2.957 185 I HA 0.615 4.788 4.170 0.005 0.000 0.310 185 I C -0.749 175.378 176.117 0.017 0.000 1.063 185 I CA -0.815 60.504 61.300 0.032 0.000 1.033 185 I CB 2.007 39.969 38.000 -0.062 0.000 1.230 185 I HN 0.509 8.719 8.210 0.000 0.000 0.447 186 D N 2.138 122.540 120.400 0.003 0.000 3.830 186 D HA -0.202 4.441 4.640 0.005 0.000 0.247 186 D C -0.625 175.476 176.300 -0.332 0.000 1.073 186 D CA 0.627 54.568 54.000 -0.100 0.000 1.116 186 D CB -0.884 39.825 40.800 -0.152 0.000 0.909 186 D HN 0.608 8.978 8.370 0.000 0.000 0.418 187 F N 0.210 120.013 119.950 -0.245 0.000 2.693 187 F HA 0.290 4.820 4.527 0.005 0.000 0.303 187 F C 2.355 177.982 175.800 -0.289 0.000 1.143 187 F CA 0.286 58.075 58.000 -0.351 0.000 1.389 187 F CB 0.475 39.348 39.000 -0.211 0.000 1.060 187 F HN 0.392 8.692 8.300 0.000 0.000 0.535 188 G N -0.675 108.044 108.800 -0.135 0.000 2.470 188 G HA2 -0.186 3.777 3.960 0.005 0.000 0.220 188 G HA3 -0.186 3.777 3.960 0.005 0.000 0.220 188 G C 1.538 176.331 174.900 -0.178 0.000 1.121 188 G CA 0.852 45.871 45.100 -0.133 0.000 0.766 188 G HN 0.331 8.621 8.290 0.000 0.000 0.553 189 S N -0.030 115.524 115.700 -0.243 0.000 2.540 189 S HA 0.353 4.826 4.470 0.005 0.000 0.218 189 S C 1.359 175.824 174.600 -0.225 0.000 0.977 189 S CA -0.090 57.957 58.200 -0.255 0.000 0.918 189 S CB 0.695 63.700 63.200 -0.325 0.000 0.806 189 S HN 0.533 8.843 8.310 0.000 0.000 0.496 190 G N 1.210 109.888 108.800 -0.203 0.000 2.588 190 G HA2 0.676 4.639 3.960 0.005 0.000 0.278 190 G HA3 0.676 4.639 3.960 0.005 0.000 0.278 190 G C -0.435 174.441 174.900 -0.040 0.000 1.307 190 G CA 0.026 45.057 45.100 -0.116 0.000 1.016 190 G HN 0.509 8.799 8.290 0.000 0.000 0.503 191 A N -1.314 121.516 122.820 0.017 0.000 2.610 191 A HA 0.614 4.937 4.320 0.005 0.000 0.291 191 A C -0.548 177.092 177.584 0.093 0.000 1.086 191 A CA -0.771 51.307 52.037 0.068 0.000 0.677 191 A CB 0.693 19.785 19.000 0.153 0.000 1.278 191 A HN 0.719 8.869 8.150 0.000 0.000 0.414 192 L N 1.175 122.452 121.223 0.089 0.000 2.490 192 L HA 0.127 4.470 4.340 0.005 0.000 0.274 192 L C 0.173 177.122 176.870 0.132 0.000 1.201 192 L CA -0.356 54.527 54.840 0.072 0.000 0.869 192 L CB 0.243 42.322 42.059 0.033 0.000 1.123 192 L HN 0.695 8.925 8.230 0.000 0.000 0.484 193 L N 5.626 126.901 121.223 0.086 0.000 2.455 193 L HA 0.212 4.555 4.340 0.005 0.000 0.272 193 L C 0.065 176.974 176.870 0.065 0.000 1.174 193 L CA 0.477 55.370 54.840 0.088 0.000 0.869 193 L CB 0.168 42.215 42.059 -0.020 0.000 1.130 193 L HN 0.666 8.896 8.230 0.000 0.000 0.474 194 K N 2.041 122.488 120.400 0.078 0.000 2.509 194 K HA 0.462 4.785 4.320 0.005 0.000 0.266 194 K C -0.751 175.836 176.600 -0.021 0.000 0.987 194 K CA -0.856 55.406 56.287 -0.043 0.000 0.868 194 K CB 1.380 33.767 32.500 -0.189 0.000 1.421 194 K HN 0.349 8.599 8.250 0.000 0.000 0.444 195 D N 0.942 121.324 120.400 -0.029 0.000 2.354 195 D HA -0.009 4.634 4.640 0.005 0.000 0.209 195 D C 0.329 176.671 176.300 0.069 0.000 1.015 195 D CA 0.698 54.715 54.000 0.028 0.000 0.867 195 D CB 0.435 41.242 40.800 0.011 0.000 0.933 195 D HN 0.728 9.098 8.370 0.000 0.000 0.520 196 T N -1.804 112.715 114.554 -0.059 0.000 2.849 196 T HA 0.372 4.725 4.350 0.005 0.000 0.276 196 T C 0.509 174.994 174.700 -0.358 0.000 0.971 196 T CA -0.805 61.236 62.100 -0.099 0.000 0.949 196 T CB 1.869 70.648 68.868 -0.149 0.000 1.093 196 T HN -0.198 8.042 8.240 0.000 0.000 0.545 197 V N 0.947 120.601 119.914 -0.434 0.000 2.686 197 V HA 0.312 4.435 4.120 0.005 0.000 0.295 197 V C -1.191 174.538 176.094 -0.608 0.000 1.055 197 V CA -0.577 61.301 62.300 -0.703 0.000 1.050 197 V CB -0.151 31.402 31.823 -0.450 0.000 0.984 197 V HN 0.753 8.943 8.190 0.000 0.000 0.482 198 Y N 3.563 123.484 120.300 -0.632 0.000 2.323 198 Y HA 0.411 4.963 4.550 0.004 0.000 0.331 198 Y C 1.266 176.898 175.900 -0.446 0.000 1.092 198 Y CA 0.016 57.749 58.100 -0.613 0.000 1.150 198 Y CB 1.888 39.704 38.460 -1.074 0.000 1.200 198 Y HN 0.729 9.009 8.280 0.000 0.000 0.472 199 T N -2.849 111.718 114.554 0.022 0.000 3.091 199 T HA 0.137 4.490 4.350 0.005 0.000 0.277 199 T C -0.513 174.435 174.700 0.413 0.000 0.996 199 T CA -0.440 61.802 62.100 0.236 0.000 0.897 199 T CB -0.227 68.724 68.868 0.138 0.000 1.109 199 T HN 0.622 8.862 8.240 0.000 0.000 0.534 200 D N 0.460 121.040 120.400 0.299 0.000 2.481 200 D HA 0.522 5.166 4.640 0.005 0.000 0.244 200 D C -1.469 174.885 176.300 0.090 0.000 1.057 200 D CA -0.865 53.278 54.000 0.238 0.000 0.848 200 D CB 2.233 43.124 40.800 0.153 0.000 1.388 200 D HN 0.108 8.478 8.370 0.000 0.000 0.475 201 F N -0.035 119.684 119.950 -0.385 0.000 2.689 201 F HA 0.387 4.917 4.527 0.004 0.000 0.332 201 F C -0.647 174.926 175.800 -0.378 0.000 1.209 201 F CA -0.265 57.349 58.000 -0.643 0.000 1.028 201 F CB 1.670 39.673 39.000 -1.662 0.000 1.291 201 F HN 0.522 8.822 8.300 0.000 0.000 0.500 202 D N 3.261 123.197 120.400 -0.774 0.000 2.535 202 D HA 0.486 5.129 4.640 0.005 0.000 0.229 202 D C 0.788 176.612 176.300 -0.793 0.000 1.238 202 D CA 0.342 53.982 54.000 -0.600 0.000 0.824 202 D CB 0.228 40.844 40.800 -0.307 0.000 1.045 202 D HN 0.862 9.232 8.370 0.000 0.000 0.500 203 G N -0.478 107.402 108.800 -1.533 0.000 2.489 203 G HA2 0.429 4.392 3.960 0.005 0.000 0.271 203 G HA3 0.429 4.392 3.960 0.005 0.000 0.271 203 G C 0.402 174.912 174.900 -0.650 0.000 1.427 203 G CA 0.139 44.608 45.100 -1.051 0.000 1.057 203 G HN 0.226 8.516 8.290 0.000 0.000 0.532 204 T N 0.049 114.492 114.554 -0.185 0.000 2.749 204 T HA 0.205 4.558 4.350 0.005 0.000 0.295 204 T C 1.511 176.389 174.700 0.297 0.000 0.936 204 T CA -0.280 61.853 62.100 0.055 0.000 1.060 204 T CB 1.651 70.563 68.868 0.075 0.000 0.904 204 T HN 0.536 8.776 8.240 0.000 0.000 0.500 205 R N 2.769 123.430 120.500 0.269 0.000 2.083 205 R HA -0.121 4.222 4.340 0.005 0.000 0.237 205 R C 2.151 178.640 176.300 0.315 0.000 1.137 205 R CA 1.911 58.213 56.100 0.336 0.000 0.951 205 R CB -0.504 29.950 30.300 0.257 0.000 0.851 205 R HN 0.639 8.909 8.270 0.000 0.000 0.434 206 V N -2.264 117.825 119.914 0.292 0.000 3.141 206 V HA -0.103 4.020 4.120 0.005 0.000 0.265 206 V C 1.056 177.303 176.094 0.255 0.000 1.126 206 V CA 1.210 63.657 62.300 0.244 0.000 1.141 206 V CB -0.770 31.149 31.823 0.159 0.000 0.743 206 V HN 0.279 8.469 8.190 0.000 0.000 0.492 207 Y N 1.440 121.893 120.300 0.256 0.000 2.458 207 Y HA 0.373 4.926 4.550 0.005 0.000 0.256 207 Y C 1.584 177.694 175.900 0.351 0.000 1.159 207 Y CA 0.229 58.504 58.100 0.291 0.000 1.261 207 Y CB 0.423 39.001 38.460 0.196 0.000 1.119 207 Y HN 0.391 8.671 8.280 0.000 0.000 0.524 208 S N 1.749 117.645 115.700 0.326 0.000 2.554 208 S HA 0.457 4.930 4.470 0.005 0.000 0.278 208 S C -2.750 171.634 174.600 -0.361 0.000 1.242 208 S CA -1.619 56.495 58.200 -0.142 0.000 1.051 208 S CB 1.629 64.674 63.200 -0.258 0.000 0.986 208 S HN -0.073 8.237 8.310 0.000 0.000 0.502 209 P HA 0.337 4.757 4.420 0.000 0.000 0.278 209 P C -2.109 174.716 177.300 -0.792 0.000 1.258 209 P CA -1.966 60.314 63.100 -1.366 0.000 0.811 209 P CB 0.402 31.538 31.700 -0.940 0.000 1.063 210 P HA -0.179 4.241 4.420 0.000 0.000 0.218 210 P C 1.320 178.437 177.300 -0.305 0.000 1.149 210 P CA 1.642 64.439 63.100 -0.505 0.000 0.817 210 P CB -0.111 31.306 31.700 -0.471 0.000 0.785 211 E N -0.452 119.633 120.200 -0.192 0.000 2.204 211 E HA -0.198 4.155 4.350 0.005 0.000 0.195 211 E C 2.131 178.800 176.600 0.115 0.000 0.990 211 E CA 0.861 57.299 56.400 0.063 0.000 0.821 211 E CB -1.460 28.364 29.700 0.207 0.000 0.750 211 E HN 0.443 8.803 8.360 0.000 0.000 0.477 212 W N 1.651 122.869 121.300 -0.137 0.000 2.408 212 W HA -0.140 4.522 4.660 0.003 0.000 0.311 212 W C 1.781 178.282 176.519 -0.030 0.000 1.190 212 W CA 0.664 57.954 57.345 -0.092 0.000 1.321 212 W CB -0.035 29.206 29.460 -0.365 0.000 1.143 212 W HN -0.064 8.116 8.180 0.000 0.000 0.501 213 I N 1.591 122.046 120.570 -0.191 0.000 2.151 213 I HA -0.308 3.865 4.170 0.005 0.000 0.243 213 I C 2.513 178.432 176.117 -0.331 0.000 1.080 213 I CA 1.753 62.908 61.300 -0.241 0.000 1.339 213 I CB -1.530 36.364 38.000 -0.177 0.000 1.039 213 I HN 0.089 8.299 8.210 0.000 0.000 0.409 214 R N -1.015 119.222 120.500 -0.438 0.000 2.075 214 R HA -0.094 4.249 4.340 0.005 0.000 0.226 214 R C 1.532 177.404 176.300 -0.714 0.000 1.114 214 R CA 1.188 56.867 56.100 -0.701 0.000 0.972 214 R CB -0.054 29.576 30.300 -1.116 0.000 0.869 214 R HN 0.354 8.624 8.270 0.000 0.000 0.437 215 Y N -1.878 118.334 120.300 -0.146 0.000 2.499 215 Y HA 0.262 4.815 4.550 0.004 0.000 0.253 215 Y C -0.180 175.660 175.900 -0.099 0.000 1.105 215 Y CA -0.646 57.383 58.100 -0.119 0.000 1.240 215 Y CB -0.080 38.357 38.460 -0.040 0.000 1.289 215 Y HN 0.090 8.370 8.280 0.000 0.000 0.534 216 H N 0.559 119.415 119.070 -0.356 0.000 2.741 216 H HA -0.177 4.381 4.556 0.004 0.000 0.305 216 H C -0.273 175.120 175.328 0.110 0.000 1.169 216 H CA 0.520 56.196 56.048 -0.621 0.000 1.144 216 H CB -0.786 28.621 29.762 -0.591 0.000 1.397 216 H HN 0.367 8.647 8.280 0.000 0.000 0.409 217 R N 0.362 121.107 120.500 0.408 0.000 2.604 217 R HA 0.507 4.850 4.340 0.005 0.000 0.281 217 R C -1.181 175.377 176.300 0.430 0.000 1.020 217 R CA -0.770 55.531 56.100 0.334 0.000 0.899 217 R CB 2.137 32.539 30.300 0.171 0.000 1.205 217 R HN 0.224 8.494 8.270 0.000 0.000 0.450 218 Y N -1.858 118.548 120.300 0.177 0.000 2.656 218 Y HA 0.533 5.086 4.550 0.004 0.000 0.334 218 Y C -1.295 174.623 175.900 0.031 0.000 1.179 218 Y CA -1.377 56.801 58.100 0.130 0.000 1.050 218 Y CB 1.107 39.605 38.460 0.063 0.000 1.308 218 Y HN 0.487 8.767 8.280 0.000 0.000 0.456 219 H N 0.237 119.467 119.070 0.267 0.000 2.499 219 H HA 0.494 5.054 4.556 0.006 0.000 0.340 219 H C 0.891 176.419 175.328 0.333 0.000 1.148 219 H CA 0.079 56.269 56.048 0.238 0.000 1.215 219 H CB 2.154 31.991 29.762 0.124 0.000 1.529 219 H HN 1.014 9.294 8.280 0.000 0.000 0.510 220 G N 1.454 110.507 108.800 0.420 0.000 2.459 220 G HA2 -0.244 3.719 3.960 0.005 0.000 0.217 220 G HA3 -0.244 3.719 3.960 0.005 0.000 0.217 220 G C 1.464 176.481 174.900 0.196 0.000 1.183 220 G CA 0.516 45.759 45.100 0.238 0.000 0.776 220 G HN 0.523 8.813 8.290 0.000 0.000 0.552 221 R N 0.629 121.220 120.500 0.150 0.000 2.066 221 R HA -0.038 4.305 4.340 0.005 0.000 0.232 221 R C 3.133 179.494 176.300 0.101 0.000 1.131 221 R CA 1.644 57.805 56.100 0.102 0.000 0.955 221 R CB -0.356 29.906 30.300 -0.062 0.000 0.851 221 R HN 0.525 8.795 8.270 0.000 0.000 0.432 222 S N 0.584 116.353 115.700 0.116 0.000 2.406 222 S HA -0.011 4.462 4.470 0.005 0.000 0.228 222 S C 2.208 176.922 174.600 0.191 0.000 1.020 222 S CA 0.764 59.041 58.200 0.127 0.000 0.965 222 S CB -0.048 63.225 63.200 0.120 0.000 0.798 222 S HN 0.343 8.653 8.310 0.000 0.000 0.488 223 A N 2.150 125.090 122.820 0.200 0.000 1.930 223 A HA 0.349 4.672 4.320 0.005 0.000 0.217 223 A C 2.526 180.215 177.584 0.176 0.000 1.175 223 A CA 1.554 53.663 52.037 0.120 0.000 0.627 223 A CB -1.435 17.543 19.000 -0.036 0.000 0.815 223 A HN 0.809 8.959 8.150 0.000 0.000 0.443 224 A N -0.482 122.469 122.820 0.217 0.000 1.908 224 A HA -0.044 4.279 4.320 0.005 0.000 0.218 224 A C 2.219 179.967 177.584 0.272 0.000 1.181 224 A CA 1.883 54.081 52.037 0.267 0.000 0.627 224 A CB -0.949 18.308 19.000 0.428 0.000 0.818 224 A HN 0.397 8.547 8.150 0.000 0.000 0.445 225 V N -1.056 119.019 119.914 0.268 0.000 2.427 225 V HA -0.247 3.876 4.120 0.005 0.000 0.248 225 V C 2.232 178.455 176.094 0.216 0.000 1.051 225 V CA 1.671 64.105 62.300 0.223 0.000 1.048 225 V CB -0.914 30.982 31.823 0.120 0.000 0.666 225 V HN 0.852 9.042 8.190 0.000 0.000 0.456 226 W N 1.694 123.042 121.300 0.080 0.000 2.333 226 W HA -0.289 4.374 4.660 0.006 0.000 0.316 226 W C 2.804 179.383 176.519 0.100 0.000 1.215 226 W CA 2.767 60.154 57.345 0.072 0.000 1.278 226 W CB -0.625 28.858 29.460 0.038 0.000 1.154 226 W HN 0.502 8.682 8.180 0.000 0.000 0.486 227 S N 0.739 116.640 115.700 0.335 0.000 2.400 227 S HA -0.240 4.233 4.470 0.005 0.000 0.232 227 S C 2.070 176.799 174.600 0.215 0.000 1.025 227 S CA 1.599 59.984 58.200 0.309 0.000 0.993 227 S CB -1.035 62.359 63.200 0.323 0.000 0.808 227 S HN 0.367 8.677 8.310 0.000 0.000 0.478 228 L N 1.259 122.593 121.223 0.185 0.000 2.093 228 L HA 0.093 4.436 4.340 0.005 0.000 0.208 228 L C 3.014 180.017 176.870 0.222 0.000 1.085 228 L CA 1.022 56.024 54.840 0.269 0.000 0.755 228 L CB -1.090 41.122 42.059 0.257 0.000 0.904 228 L HN 0.527 8.757 8.230 0.000 0.000 0.435 229 G N 0.389 109.189 108.800 -0.001 0.000 2.418 229 G HA2 -0.207 3.756 3.960 0.005 0.000 0.217 229 G HA3 -0.207 3.756 3.960 0.005 0.000 0.217 229 G C 1.523 176.258 174.900 -0.275 0.000 1.158 229 G CA 0.431 45.417 45.100 -0.191 0.000 0.771 229 G HN 0.139 8.429 8.290 0.000 0.000 0.545 230 I N 0.552 120.908 120.570 -0.357 0.000 2.163 230 I HA -0.111 4.062 4.170 0.005 0.000 0.243 230 I C 2.671 178.686 176.117 -0.171 0.000 1.085 230 I CA 0.854 61.908 61.300 -0.411 0.000 1.347 230 I CB -1.154 36.516 38.000 -0.550 0.000 1.044 230 I HN 0.160 8.370 8.210 0.000 0.000 0.408 231 L N 0.724 122.000 121.223 0.088 0.000 2.012 231 L HA -0.207 4.136 4.340 0.005 0.000 0.210 231 L C 2.372 179.299 176.870 0.094 0.000 1.073 231 L CA 1.646 56.628 54.840 0.237 0.000 0.748 231 L CB -0.792 41.471 42.059 0.341 0.000 0.891 231 L HN 0.145 8.375 8.230 0.000 0.000 0.431 232 L N -1.398 119.784 121.223 -0.068 0.000 2.017 232 L HA -0.240 4.103 4.340 0.005 0.000 0.208 232 L C 2.374 179.110 176.870 -0.223 0.000 1.073 232 L CA 1.983 56.611 54.840 -0.353 0.000 0.745 232 L CB -1.140 40.389 42.059 -0.883 0.000 0.894 232 L HN 0.469 8.699 8.230 0.000 0.000 0.432 233 Y N 0.382 120.504 120.300 -0.296 0.000 2.097 233 Y HA -0.343 4.211 4.550 0.005 0.000 0.282 233 Y C 2.486 178.266 175.900 -0.200 0.000 1.152 233 Y CA 2.238 60.172 58.100 -0.276 0.000 1.136 233 Y CB -0.386 37.819 38.460 -0.424 0.000 0.975 233 Y HN 0.466 8.746 8.280 0.000 0.000 0.498 234 D N -0.268 120.165 120.400 0.056 0.000 2.133 234 D HA -0.265 4.378 4.640 0.005 0.000 0.195 234 D C 2.112 178.409 176.300 -0.005 0.000 0.997 234 D CA 2.157 56.184 54.000 0.045 0.000 0.840 234 D CB -0.251 40.612 40.800 0.105 0.000 0.947 234 D HN 0.461 8.831 8.370 0.000 0.000 0.452 235 M N -0.459 119.145 119.600 0.007 0.000 2.086 235 M HA -0.120 4.363 4.480 0.005 0.000 0.261 235 M C 2.240 178.517 176.300 -0.038 0.000 1.067 235 M CA 1.454 56.776 55.300 0.037 0.000 1.116 235 M CB -0.085 32.570 32.600 0.091 0.000 1.348 235 M HN 0.147 8.437 8.290 0.000 0.000 0.407 236 V N -4.457 115.378 119.914 -0.132 0.000 3.406 236 V HA -0.023 4.100 4.120 0.005 0.000 0.263 236 V C 1.477 177.448 176.094 -0.205 0.000 1.172 236 V CA 0.640 62.847 62.300 -0.154 0.000 1.140 236 V CB -0.645 31.061 31.823 -0.195 0.000 0.784 236 V HN 0.521 8.711 8.190 0.000 0.000 0.467 237 C N 0.721 119.835 119.300 -0.310 0.000 3.019 237 C HA 0.680 5.143 4.460 0.005 0.000 0.295 237 C C 2.158 177.047 174.990 -0.168 0.000 1.256 237 C CA 0.372 59.195 59.018 -0.324 0.000 1.706 237 C CB -0.241 27.067 27.740 -0.720 0.000 2.153 237 C HN 0.921 9.151 8.230 0.000 0.000 0.618 238 G N 1.178 109.909 108.800 -0.115 0.000 2.179 238 G HA2 -0.174 3.789 3.960 0.005 0.000 0.260 238 G HA3 -0.174 3.789 3.960 0.005 0.000 0.260 238 G C -0.413 174.457 174.900 -0.050 0.000 0.977 238 G CA 0.771 45.829 45.100 -0.069 0.000 0.641 238 G HN 0.512 8.802 8.290 0.000 0.000 0.533 239 D N -0.758 119.630 120.400 -0.019 0.000 2.622 239 D HA 0.469 5.112 4.640 0.005 0.000 0.255 239 D C 0.645 176.992 176.300 0.080 0.000 1.246 239 D CA -0.243 53.770 54.000 0.022 0.000 0.795 239 D CB 1.206 42.015 40.800 0.015 0.000 1.369 239 D HN 0.666 9.036 8.370 0.000 0.000 0.425 240 I N -0.588 119.982 120.570 0.001 0.000 2.779 240 I HA 0.370 4.543 4.170 0.005 0.000 0.285 240 I C -1.504 174.406 176.117 -0.345 0.000 1.134 240 I CA -1.228 59.973 61.300 -0.165 0.000 1.398 240 I CB 0.857 38.702 38.000 -0.259 0.000 1.404 240 I HN 0.179 8.389 8.210 0.000 0.000 0.587 241 P HA 0.071 4.491 4.420 0.000 0.000 0.224 241 P C -0.233 176.490 177.300 -0.961 0.000 1.157 241 P CA 1.071 63.294 63.100 -1.462 0.000 0.799 241 P CB 0.083 30.269 31.700 -2.523 0.000 0.809 242 F N -1.183 118.589 119.950 -0.298 0.000 2.540 242 F HA 0.575 5.106 4.527 0.005 0.000 0.317 242 F C 1.500 177.208 175.800 -0.154 0.000 1.104 242 F CA -0.816 57.080 58.000 -0.173 0.000 0.913 242 F CB 0.762 39.709 39.000 -0.088 0.000 1.170 242 F HN -0.231 8.069 8.300 0.000 0.000 0.450 243 E N 0.990 121.176 120.200 -0.024 0.000 2.207 243 E HA 0.151 4.504 4.350 0.005 0.000 0.197 243 E C -0.183 176.300 176.600 -0.195 0.000 0.914 243 E CA 0.619 56.890 56.400 -0.215 0.000 0.914 243 E CB -0.457 28.935 29.700 -0.514 0.000 0.893 243 E HN 0.799 9.159 8.360 0.000 0.000 0.479 244 H N 0.111 119.240 119.070 0.098 0.000 2.483 244 H HA 0.363 4.922 4.556 0.005 0.000 0.338 244 H C 0.123 175.466 175.328 0.025 0.000 1.152 244 H CA -0.729 55.353 56.048 0.058 0.000 1.264 244 H CB 1.875 31.661 29.762 0.040 0.000 1.510 244 H HN 0.109 8.389 8.280 0.000 0.000 0.530 245 D N 1.601 122.085 120.400 0.140 0.000 2.172 245 D HA -0.173 4.470 4.640 0.005 0.000 0.196 245 D C 1.397 177.676 176.300 -0.035 0.000 0.999 245 D CA 1.502 55.518 54.000 0.027 0.000 0.856 245 D CB -0.006 40.800 40.800 0.010 0.000 0.934 245 D HN 0.634 9.004 8.370 0.000 0.000 0.453 246 E N 0.557 120.760 120.200 0.006 0.000 2.150 246 E HA -0.098 4.255 4.350 0.005 0.000 0.193 246 E C 1.953 178.519 176.600 -0.057 0.000 0.985 246 E CA 0.718 57.101 56.400 -0.027 0.000 0.814 246 E CB -0.151 29.551 29.700 0.004 0.000 0.752 246 E HN 0.454 8.814 8.360 0.000 0.000 0.466 247 E N 0.493 120.671 120.200 -0.036 0.000 2.072 247 E HA -0.098 4.255 4.350 0.005 0.000 0.190 247 E C 2.095 178.343 176.600 -0.588 0.000 0.982 247 E CA 0.753 57.077 56.400 -0.126 0.000 0.803 247 E CB -0.163 29.595 29.700 0.096 0.000 0.755 247 E HN 0.243 8.603 8.360 0.000 0.000 0.453 248 I N 1.813 122.045 120.570 -0.564 0.000 2.163 248 I HA -0.265 3.908 4.170 0.005 0.000 0.243 248 I C 2.621 178.470 176.117 -0.446 0.000 1.085 248 I CA 1.274 62.171 61.300 -0.671 0.000 1.347 248 I CB -0.396 37.458 38.000 -0.244 0.000 1.044 248 I HN 0.212 8.422 8.210 0.000 0.000 0.408 249 I N -1.957 118.437 120.570 -0.293 0.000 3.578 249 I HA 0.162 4.335 4.170 0.005 0.000 0.295 249 I C 2.104 178.129 176.117 -0.153 0.000 1.280 249 I CA 0.813 61.983 61.300 -0.216 0.000 1.347 249 I CB -0.626 37.258 38.000 -0.193 0.000 1.051 249 I HN 0.043 8.253 8.210 0.000 0.000 0.460 250 G N 1.361 110.062 108.800 -0.164 0.000 2.464 250 G HA2 0.161 4.124 3.960 0.005 0.000 0.217 250 G HA3 0.161 4.124 3.960 0.005 0.000 0.217 250 G C 1.424 176.294 174.900 -0.050 0.000 1.138 250 G CA 0.646 45.695 45.100 -0.086 0.000 0.793 250 G HN 0.767 9.057 8.290 0.000 0.000 0.539 251 G N -1.326 107.443 108.800 -0.053 0.000 2.157 251 G HA2 -0.229 3.734 3.960 0.005 0.000 0.248 251 G HA3 -0.229 3.734 3.960 0.005 0.000 0.248 251 G C 0.127 175.021 174.900 -0.011 0.000 0.979 251 G CA 0.270 45.373 45.100 0.004 0.000 0.650 251 G HN 0.586 8.876 8.290 0.000 0.000 0.529 252 Q N -0.145 119.634 119.800 -0.035 0.000 2.331 252 Q HA 0.579 4.923 4.340 0.005 0.000 0.267 252 Q C -0.725 175.187 176.000 -0.148 0.000 1.006 252 Q CA -0.696 55.006 55.803 -0.169 0.000 0.818 252 Q CB 2.917 31.506 28.738 -0.248 0.000 1.276 252 Q HN 0.173 8.443 8.270 0.000 0.000 0.450 253 V N 3.898 123.642 119.914 -0.283 0.000 2.357 253 V HA 0.409 4.532 4.120 0.005 0.000 0.284 253 V C -0.734 175.089 176.094 -0.451 0.000 1.018 253 V CA -0.543 61.564 62.300 -0.322 0.000 0.841 253 V CB 0.420 32.080 31.823 -0.271 0.000 0.991 253 V HN 0.567 8.757 8.190 0.000 0.000 0.437 254 F N 4.248 124.118 119.950 -0.134 0.000 2.421 254 F HA 0.604 5.133 4.527 0.005 0.000 0.337 254 F C -0.055 175.675 175.800 -0.116 0.000 1.105 254 F CA -0.829 57.154 58.000 -0.028 0.000 1.049 254 F CB 1.238 40.243 39.000 0.008 0.000 1.139 254 F HN 0.303 8.603 8.300 0.000 0.000 0.479 255 F N 3.219 123.331 119.950 0.271 0.000 2.405 255 F HA 0.352 4.882 4.527 0.006 0.000 0.355 255 F C 1.390 177.245 175.800 0.091 0.000 1.121 255 F CA -0.607 57.478 58.000 0.142 0.000 1.112 255 F CB 1.248 40.260 39.000 0.021 0.000 1.126 255 F HN 0.458 8.758 8.300 0.000 0.000 0.481 256 R N 0.777 121.366 120.500 0.149 0.000 2.276 256 R HA 0.196 4.539 4.340 0.005 0.000 0.196 256 R C -0.129 176.198 176.300 0.045 0.000 0.961 256 R CA 0.374 56.523 56.100 0.080 0.000 1.024 256 R CB 0.209 30.537 30.300 0.046 0.000 0.940 256 R HN 0.454 8.724 8.270 0.000 0.000 0.480 257 Q N 1.270 121.095 119.800 0.042 0.000 2.458 257 Q HA 0.273 4.616 4.340 0.005 0.000 0.282 257 Q C -1.176 174.829 176.000 0.009 0.000 1.106 257 Q CA -1.250 54.554 55.803 0.002 0.000 0.814 257 Q CB 2.227 30.933 28.738 -0.053 0.000 1.425 257 Q HN -0.063 8.207 8.270 0.000 0.000 0.437 258 R N 0.637 121.124 120.500 -0.022 0.000 2.404 258 R HA 0.318 4.661 4.340 0.005 0.000 0.315 258 R C -1.326 174.921 176.300 -0.088 0.000 1.032 258 R CA 0.316 56.388 56.100 -0.046 0.000 0.992 258 R CB -0.270 30.009 30.300 -0.034 0.000 0.959 258 R HN 0.314 8.584 8.270 0.000 0.000 0.428 259 V N 4.614 124.428 119.914 -0.167 0.000 2.760 259 V HA 0.358 4.481 4.120 0.005 0.000 0.309 259 V C -0.316 175.617 176.094 -0.269 0.000 1.077 259 V CA -0.686 61.461 62.300 -0.254 0.000 0.910 259 V CB 2.048 33.613 31.823 -0.430 0.000 1.008 259 V HN 1.000 9.190 8.190 0.000 0.000 0.424 260 S N 2.744 118.337 115.700 -0.179 0.000 2.573 260 S HA 0.091 4.564 4.470 0.005 0.000 0.277 260 S C 1.270 175.769 174.600 -0.168 0.000 1.346 260 S CA 0.266 58.403 58.200 -0.106 0.000 1.034 260 S CB 0.994 64.213 63.200 0.031 0.000 0.879 260 S HN 0.714 9.024 8.310 0.000 0.000 0.528 261 S N 1.484 117.128 115.700 -0.094 0.000 2.370 261 S HA -0.116 4.357 4.470 0.005 0.000 0.226 261 S C 1.920 176.509 174.600 -0.019 0.000 1.033 261 S CA 1.256 59.407 58.200 -0.081 0.000 1.011 261 S CB -0.470 62.707 63.200 -0.038 0.000 0.852 261 S HN 0.790 9.100 8.310 0.000 0.000 0.457 262 E N 0.340 120.574 120.200 0.056 0.000 2.077 262 E HA -0.159 4.194 4.350 0.005 0.000 0.193 262 E C 2.382 179.044 176.600 0.105 0.000 0.989 262 E CA 0.916 57.442 56.400 0.210 0.000 0.800 262 E CB -0.566 29.337 29.700 0.339 0.000 0.746 262 E HN 0.540 8.900 8.360 0.000 0.000 0.452 263 C N 1.407 120.537 119.300 -0.284 0.000 2.432 263 C HA -0.135 4.328 4.460 0.005 0.000 0.277 263 C C 2.721 177.408 174.990 -0.505 0.000 1.249 263 C CA 0.983 59.486 59.018 -0.857 0.000 1.725 263 C CB -0.805 26.217 27.740 -1.197 0.000 2.028 263 C HN 0.417 8.647 8.230 0.000 0.000 0.477 264 Q N -0.858 118.694 119.800 -0.415 0.000 2.096 264 Q HA -0.253 4.090 4.340 0.005 0.000 0.204 264 Q C 2.250 178.209 176.000 -0.068 0.000 0.982 264 Q CA 2.014 57.593 55.803 -0.372 0.000 0.850 264 Q CB -0.607 27.782 28.738 -0.581 0.000 0.901 264 Q HN 0.818 9.088 8.270 0.000 0.000 0.422 265 H N 0.746 119.771 119.070 -0.075 0.000 2.321 265 H HA -0.147 4.412 4.556 0.005 0.000 0.300 265 H C 2.138 177.527 175.328 0.101 0.000 1.087 265 H CA 1.505 57.588 56.048 0.059 0.000 1.319 265 H CB 0.008 29.864 29.762 0.158 0.000 1.379 265 H HN 0.214 8.494 8.280 0.000 0.000 0.501 266 L N 1.144 122.375 121.223 0.014 0.000 2.046 266 L HA -0.114 4.229 4.340 0.005 0.000 0.208 266 L C 2.541 179.355 176.870 -0.092 0.000 1.077 266 L CA 1.334 56.070 54.840 -0.172 0.000 0.747 266 L CB -0.884 40.840 42.059 -0.559 0.000 0.896 266 L HN 0.286 8.516 8.230 0.000 0.000 0.432 267 I N -0.644 119.835 120.570 -0.151 0.000 2.163 267 I HA -0.322 3.851 4.170 0.005 0.000 0.243 267 I C 2.639 178.733 176.117 -0.038 0.000 1.085 267 I CA 1.421 62.660 61.300 -0.103 0.000 1.347 267 I CB -0.362 37.642 38.000 0.008 0.000 1.044 267 I HN 0.235 8.445 8.210 0.000 0.000 0.408 268 R N -0.561 119.949 120.500 0.017 0.000 2.120 268 R HA -0.218 4.125 4.340 0.005 0.000 0.234 268 R C 2.107 178.453 176.300 0.077 0.000 1.123 268 R CA 1.426 57.539 56.100 0.023 0.000 0.975 268 R CB -0.359 29.951 30.300 0.017 0.000 0.866 268 R HN 0.458 8.728 8.270 0.000 0.000 0.446 269 W N 0.830 122.025 121.300 -0.176 0.000 2.407 269 W HA -0.140 4.523 4.660 0.005 0.000 0.305 269 W C 1.915 178.421 176.519 -0.021 0.000 1.196 269 W CA 0.081 57.355 57.345 -0.117 0.000 1.311 269 W CB -0.877 28.494 29.460 -0.148 0.000 1.135 269 W HN -0.007 8.173 8.180 0.000 0.000 0.514 270 C N 0.262 119.591 119.300 0.048 0.000 2.411 270 C HA -0.130 4.333 4.460 0.005 0.000 0.279 270 C C 2.357 177.337 174.990 -0.017 0.000 1.288 270 C CA 0.716 59.710 59.018 -0.040 0.000 1.764 270 C CB -1.505 26.204 27.740 -0.051 0.000 1.974 270 C HN 0.121 8.351 8.230 0.000 0.000 0.498 271 L N 0.855 122.034 121.223 -0.074 0.000 2.728 271 L HA 0.265 4.608 4.340 0.005 0.000 0.235 271 L C 1.130 178.132 176.870 0.220 0.000 1.197 271 L CA -0.475 54.258 54.840 -0.179 0.000 0.992 271 L CB -0.651 41.150 42.059 -0.430 0.000 1.263 271 L HN 0.158 8.388 8.230 0.000 0.000 0.484 272 A N 0.183 123.160 122.820 0.262 0.000 2.546 272 A HA 0.077 4.400 4.320 0.005 0.000 0.243 272 A C 1.367 179.146 177.584 0.326 0.000 1.063 272 A CA 0.001 52.201 52.037 0.272 0.000 0.757 272 A CB 0.332 19.494 19.000 0.270 0.000 0.991 272 A HN 0.406 8.556 8.150 0.000 0.000 0.503 273 L N 2.057 123.420 121.223 0.233 0.000 2.046 273 L HA -0.101 4.242 4.340 0.005 0.000 0.208 273 L C 2.055 178.994 176.870 0.114 0.000 1.077 273 L CA 1.547 56.481 54.840 0.157 0.000 0.747 273 L CB -0.303 41.807 42.059 0.084 0.000 0.896 273 L HN 0.702 8.932 8.230 0.000 0.000 0.432 274 R N 0.328 120.902 120.500 0.123 0.000 2.267 274 R HA 0.117 4.460 4.340 0.005 0.000 0.319 274 R C -1.736 174.639 176.300 0.124 0.000 1.067 274 R CA -1.211 54.954 56.100 0.107 0.000 0.936 274 R CB 0.681 31.036 30.300 0.092 0.000 1.006 274 R HN -0.012 8.258 8.270 0.000 0.000 0.452 275 P HA -0.188 4.232 4.420 0.000 0.000 0.216 275 P C 1.285 178.641 177.300 0.093 0.000 1.150 275 P CA 2.104 65.274 63.100 0.117 0.000 0.843 275 P CB 0.070 31.839 31.700 0.116 0.000 0.787 276 S N -1.765 113.977 115.700 0.069 0.000 2.474 276 S HA -0.105 4.368 4.470 0.005 0.000 0.235 276 S C 1.400 176.061 174.600 0.101 0.000 0.997 276 S CA 1.034 59.268 58.200 0.056 0.000 0.949 276 S CB -0.951 62.267 63.200 0.031 0.000 0.766 276 S HN 0.068 8.378 8.310 0.000 0.000 0.517 277 D N 1.364 121.848 120.400 0.139 0.000 2.340 277 D HA 0.161 4.804 4.640 0.005 0.000 0.220 277 D C 0.610 177.091 176.300 0.301 0.000 1.039 277 D CA 0.204 54.333 54.000 0.214 0.000 0.866 277 D CB 0.051 40.969 40.800 0.196 0.000 0.913 277 D HN 0.495 8.865 8.370 0.000 0.000 0.523 278 R N 1.390 121.988 120.500 0.164 0.000 2.531 278 R HA 0.281 4.624 4.340 0.005 0.000 0.273 278 R C -2.168 174.006 176.300 -0.210 0.000 1.070 278 R CA -1.339 54.768 56.100 0.011 0.000 1.112 278 R CB 0.391 30.716 30.300 0.041 0.000 1.049 278 R HN -0.003 8.267 8.270 0.000 0.000 0.508 279 P HA -0.001 4.419 4.420 0.000 0.000 0.274 279 P C -0.326 176.758 177.300 -0.360 0.000 1.231 279 P CA -0.298 62.311 63.100 -0.818 0.000 0.790 279 P CB 0.717 31.497 31.700 -1.534 0.000 0.951 280 T N -1.106 113.306 114.554 -0.238 0.000 2.766 280 T HA 0.136 4.490 4.350 0.005 0.000 0.295 280 T C 1.206 175.837 174.700 -0.115 0.000 1.024 280 T CA -0.209 61.764 62.100 -0.211 0.000 1.018 280 T CB -0.151 68.646 68.868 -0.118 0.000 1.002 280 T HN 0.096 8.336 8.240 0.000 0.000 0.532 281 F N 0.147 120.056 119.950 -0.068 0.000 2.161 281 F HA 0.024 4.554 4.527 0.005 0.000 0.300 281 F C 2.626 178.380 175.800 -0.076 0.000 1.089 281 F CA 1.294 59.234 58.000 -0.100 0.000 1.282 281 F CB -1.147 37.783 39.000 -0.116 0.000 1.010 281 F HN 0.839 9.139 8.300 0.000 0.000 0.485 282 E N 0.418 120.701 120.200 0.138 0.000 2.051 282 E HA -0.230 4.123 4.350 0.005 0.000 0.192 282 E C 2.008 178.684 176.600 0.126 0.000 0.991 282 E CA 1.611 58.077 56.400 0.110 0.000 0.799 282 E CB -0.102 29.654 29.700 0.094 0.000 0.748 282 E HN 0.500 8.860 8.360 0.000 0.000 0.449 283 E N 0.201 120.456 120.200 0.092 0.000 2.106 283 E HA -0.158 4.195 4.350 0.005 0.000 0.192 283 E C 2.211 178.905 176.600 0.157 0.000 0.984 283 E CA 1.001 57.480 56.400 0.131 0.000 0.806 283 E CB -0.039 29.677 29.700 0.027 0.000 0.750 283 E HN 0.378 8.738 8.360 0.000 0.000 0.458 284 I N 1.225 121.831 120.570 0.060 0.000 2.127 284 I HA -0.331 3.842 4.170 0.005 0.000 0.241 284 I C 2.400 178.703 176.117 0.309 0.000 1.075 284 I CA 1.414 62.818 61.300 0.173 0.000 1.334 284 I CB -0.300 37.782 38.000 0.135 0.000 1.040 284 I HN 0.110 8.320 8.210 0.000 0.000 0.405 285 Q N 0.314 120.241 119.800 0.212 0.000 2.291 285 Q HA -0.116 4.227 4.340 0.005 0.000 0.205 285 Q C 1.396 177.636 176.000 0.400 0.000 0.970 285 Q CA 0.830 56.806 55.803 0.289 0.000 0.876 285 Q CB -0.125 28.613 28.738 -0.000 0.000 0.935 285 Q HN 0.503 8.773 8.270 0.000 0.000 0.455 286 N N -0.129 118.760 118.700 0.315 0.000 2.398 286 N HA -0.062 4.681 4.740 0.005 0.000 0.188 286 N C 0.099 175.798 175.510 0.314 0.000 1.122 286 N CA 0.264 53.483 53.050 0.281 0.000 0.866 286 N CB 0.025 38.644 38.487 0.220 0.000 0.970 286 N HN 0.280 8.660 8.380 0.000 0.000 0.462 287 H N 2.030 121.294 119.070 0.325 0.000 2.897 287 H HA 0.025 4.584 4.556 0.005 0.000 0.347 287 H C -1.427 174.074 175.328 0.288 0.000 1.068 287 H CA -0.852 55.415 56.048 0.365 0.000 1.426 287 H CB 1.512 31.560 29.762 0.476 0.000 1.410 287 H HN -0.070 8.210 8.280 0.000 0.000 0.597 288 P HA -0.172 4.248 4.420 0.000 0.000 0.216 288 P C 1.395 178.859 177.300 0.274 0.000 1.150 288 P CA 1.242 64.396 63.100 0.091 0.000 0.843 288 P CB -0.213 31.457 31.700 -0.051 0.000 0.787 289 W N -0.372 121.171 121.300 0.405 0.000 2.364 289 W HA -0.089 4.574 4.660 0.005 0.000 0.281 289 W C 1.705 178.356 176.519 0.221 0.000 1.219 289 W CA 1.426 58.944 57.345 0.288 0.000 1.220 289 W CB -0.568 29.055 29.460 0.271 0.000 1.127 289 W HN -0.160 8.020 8.180 0.000 0.000 0.556 290 M N 0.813 120.576 119.600 0.273 0.000 2.561 290 M HA 0.035 4.518 4.480 0.005 0.000 0.238 290 M C 0.277 176.544 176.300 -0.055 0.000 1.131 290 M CA 0.638 56.020 55.300 0.138 0.000 1.046 290 M CB -0.686 32.210 32.600 0.493 0.000 1.532 290 M HN -0.188 8.102 8.290 0.000 0.000 0.497 291 Q N 1.012 120.765 119.800 -0.078 0.000 2.354 291 Q HA 0.095 4.438 4.340 0.005 0.000 0.244 291 Q C 0.058 175.920 176.000 -0.229 0.000 0.969 291 Q CA 0.280 56.006 55.803 -0.129 0.000 0.885 291 Q CB 0.373 29.079 28.738 -0.054 0.000 1.241 291 Q HN 0.240 8.510 8.270 0.000 0.000 0.461 292 D N -0.604 119.654 120.400 -0.237 0.000 2.699 292 D HA -0.158 4.485 4.640 0.005 0.000 0.239 292 D C -0.295 175.828 176.300 -0.294 0.000 1.136 292 D CA 0.400 54.260 54.000 -0.233 0.000 0.668 292 D CB -1.457 39.244 40.800 -0.165 0.000 1.060 292 D HN 0.307 8.677 8.370 0.000 0.000 0.429 293 V N 0.324 119.981 119.914 -0.428 0.000 2.740 293 V HA 0.066 4.190 4.120 0.005 0.000 0.303 293 V C 0.961 176.868 176.094 -0.312 0.000 1.054 293 V CA -0.278 61.752 62.300 -0.450 0.000 1.106 293 V CB 0.755 32.101 31.823 -0.795 0.000 0.957 293 V HN 0.207 8.397 8.190 0.000 0.000 0.486 294 L N 6.520 127.617 121.223 -0.210 0.000 2.439 294 L HA 0.287 4.630 4.340 0.005 0.000 0.269 294 L C 0.278 177.081 176.870 -0.111 0.000 1.179 294 L CA -0.262 54.501 54.840 -0.128 0.000 0.828 294 L CB 0.560 42.582 42.059 -0.062 0.000 1.106 294 L HN 0.523 8.753 8.230 0.000 0.000 0.467 295 L N 3.344 124.519 121.223 -0.079 0.000 2.467 295 L HA 0.048 4.391 4.340 0.005 0.000 0.270 295 L C -1.299 175.566 176.870 -0.008 0.000 1.205 295 L CA -1.351 53.462 54.840 -0.044 0.000 0.828 295 L CB 0.100 42.136 42.059 -0.038 0.000 1.101 295 L HN 0.431 8.661 8.230 0.000 0.000 0.479 296 P HA -0.239 4.181 4.420 0.000 0.000 0.215 296 P C 1.633 178.938 177.300 0.009 0.000 1.163 296 P CA 2.014 65.131 63.100 0.030 0.000 0.894 296 P CB 0.107 31.821 31.700 0.023 0.000 0.791 297 Q N 0.485 120.282 119.800 -0.004 0.000 2.077 297 Q HA -0.301 4.042 4.340 0.005 0.000 0.206 297 Q C 2.101 178.074 176.000 -0.046 0.000 0.989 297 Q CA 2.375 58.169 55.803 -0.015 0.000 0.853 297 Q CB -1.908 26.829 28.738 -0.002 0.000 0.907 297 Q HN 0.434 8.704 8.270 0.000 0.000 0.418 298 E N -0.247 119.932 120.200 -0.035 0.000 2.085 298 E HA -0.128 4.225 4.350 0.005 0.000 0.194 298 E C 2.356 178.935 176.600 -0.036 0.000 0.994 298 E CA 1.604 57.978 56.400 -0.043 0.000 0.801 298 E CB -0.167 29.511 29.700 -0.037 0.000 0.743 298 E HN 0.700 9.060 8.360 0.000 0.000 0.453 299 T N 1.005 115.563 114.554 0.007 0.000 2.684 299 T HA -0.226 4.127 4.350 0.005 0.000 0.267 299 T C 2.018 176.738 174.700 0.034 0.000 1.036 299 T CA 1.386 63.536 62.100 0.084 0.000 1.148 299 T CB -0.338 68.592 68.868 0.102 0.000 0.863 299 T HN 0.279 8.519 8.240 0.000 0.000 0.436 300 A N 1.620 124.387 122.820 -0.088 0.000 1.877 300 A HA -0.164 4.159 4.320 0.005 0.000 0.216 300 A C 2.234 179.448 177.584 -0.617 0.000 1.186 300 A CA 1.801 53.649 52.037 -0.315 0.000 0.620 300 A CB -0.651 18.118 19.000 -0.386 0.000 0.822 300 A HN 0.589 8.739 8.150 0.000 0.000 0.443 301 E N -0.491 119.407 120.200 -0.505 0.000 2.077 301 E HA -0.162 4.191 4.350 0.005 0.000 0.193 301 E C 1.888 178.393 176.600 -0.159 0.000 0.989 301 E CA 1.410 57.633 56.400 -0.294 0.000 0.800 301 E CB -0.260 29.380 29.700 -0.101 0.000 0.746 301 E HN 0.725 9.085 8.360 0.000 0.000 0.452 302 I N -0.078 120.386 120.570 -0.177 0.000 2.400 302 I HA -0.169 4.004 4.170 0.005 0.000 0.248 302 I C 2.073 177.965 176.117 -0.375 0.000 1.109 302 I CA 0.906 62.030 61.300 -0.294 0.000 1.425 302 I CB -0.053 37.705 38.000 -0.404 0.000 1.094 302 I HN 0.165 8.375 8.210 0.000 0.000 0.425 303 H N -0.571 118.476 119.070 -0.038 0.000 2.855 303 H HA 0.305 4.865 4.556 0.005 0.000 0.259 303 H C 1.862 177.246 175.328 0.093 0.000 0.972 303 H CA 0.609 56.666 56.048 0.014 0.000 1.213 303 H CB 1.111 30.864 29.762 -0.015 0.000 1.451 303 H HN 0.264 8.544 8.280 0.000 0.000 0.484 304 L N -0.705 120.618 121.223 0.166 0.000 2.609 304 L HA 0.172 4.515 4.340 0.005 0.000 0.230 304 L C 0.845 177.863 176.870 0.246 0.000 1.064 304 L CA 0.074 55.052 54.840 0.230 0.000 0.873 304 L CB 0.135 42.324 42.059 0.216 0.000 1.139 304 L HN 0.138 8.368 8.230 0.000 0.000 0.490 305 H N 0.000 119.125 119.070 0.091 0.000 2.539 305 H HA 0.000 4.559 4.556 0.005 0.000 0.296 305 H CA 0.000 56.083 56.048 0.058 0.000 1.023 305 H CB 0.000 29.784 29.762 0.037 0.000 1.292 305 H HN 0.000 8.280 8.280 0.000 0.000 0.496