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 1jm1_1_A DATA FIRST_RESID 49 DATA SEQUENCE NTDGLAGFPR YKVANIQQVQ QQIKSSGcAV YFFAYPLTDE PCFLVDLQAL DATA SEQUENCE TGQQITEIPN PYYGKYAGPL GQIQTIKGVG PNGTIFAFSD VCVHLGCQLP DATA SEQUENCE AQVIVSSESD PGLYAKGADL HCPCHGSIYA LKDGGVVVSG PAPRPLPIVI DATA SEQUENCE LDYDSSTGDI YAVGTNAPYF SAGIPRTTPQ DNLLYDPRYS YSVPNNPScS DATA SEQUENCE NG 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 49 N HA 0.000 4.760 4.740 0.033 0.000 0.220 49 N C 0.000 175.540 175.510 0.051 0.000 1.280 49 N CA 0.000 53.080 53.050 0.050 0.000 0.885 49 N CB 0.000 38.527 38.487 0.067 0.000 1.341 50 T N -6.776 107.804 114.554 0.042 0.000 3.355 50 T HA 0.254 4.773 4.350 0.063 -0.132 0.276 50 T C -0.649 174.087 174.700 0.059 0.000 1.003 50 T CA -1.101 61.027 62.100 0.048 0.000 0.943 50 T CB 0.509 69.388 68.868 0.019 0.000 1.158 50 T HN 0.110 8.371 8.240 0.034 0.000 0.513 51 D N 1.841 122.280 120.400 0.065 0.000 2.339 51 D HA 0.184 4.837 4.640 0.023 0.000 0.217 51 D C 0.350 176.677 176.300 0.045 0.000 1.050 51 D CA 0.698 54.720 54.000 0.036 0.000 0.856 51 D CB 0.066 40.869 40.800 0.005 0.000 0.922 51 D HN -0.105 8.564 8.370 0.078 -0.252 0.518 52 G N -1.531 107.338 108.800 0.115 0.000 2.546 52 G HA2 0.296 4.302 3.960 0.076 0.000 0.239 52 G HA3 0.296 4.638 3.960 0.210 -0.256 0.239 52 G C -1.114 173.851 174.900 0.109 0.000 1.476 52 G CA -0.769 44.409 45.100 0.130 0.000 1.064 52 G HN -0.446 7.877 8.290 0.147 0.055 0.561 53 L N 0.539 121.828 121.223 0.110 0.000 2.312 53 L HA 0.099 4.477 4.340 0.062 0.000 0.281 53 L C 0.400 177.372 176.870 0.170 0.000 1.070 53 L CA -0.298 54.591 54.840 0.082 0.000 0.805 53 L CB 0.518 42.583 42.059 0.010 0.000 1.174 53 L HN 0.114 8.407 8.230 0.105 0.000 0.434 54 A N 4.680 127.573 122.820 0.122 0.000 2.745 54 A HA -0.359 4.011 4.320 0.084 0.000 0.296 54 A C 0.215 177.894 177.584 0.159 0.000 1.500 54 A CA 0.681 52.794 52.037 0.128 0.000 0.766 54 A CB -2.010 17.065 19.000 0.125 0.000 1.030 54 A HN 0.928 9.129 8.150 0.085 0.000 0.489 55 G N -5.337 103.537 108.800 0.124 0.000 2.194 55 G HA2 -0.407 3.570 3.960 0.029 0.000 0.236 55 G HA3 -0.407 3.550 3.960 -0.005 0.000 0.236 55 G C 0.014 174.936 174.900 0.036 0.000 0.987 55 G CA -0.148 44.980 45.100 0.047 0.000 0.635 55 G HN 0.229 8.570 8.290 0.119 0.020 0.520 56 F N 2.351 122.304 119.950 0.006 0.000 2.444 56 F HA 0.164 4.676 4.527 -0.026 0.000 0.331 56 F C -1.685 174.160 175.800 0.074 0.000 1.167 56 F CA -1.032 56.984 58.000 0.027 0.000 1.262 56 F CB -0.139 38.920 39.000 0.098 0.000 1.196 56 F HN -0.604 7.897 8.300 0.456 0.074 0.583 57 P HA 0.135 4.957 4.420 0.197 -0.284 0.276 57 P C -1.234 176.312 177.300 0.410 0.000 1.244 57 P CA -0.717 62.550 63.100 0.280 0.000 0.801 57 P CB 1.022 32.859 31.700 0.227 0.000 1.006 58 R N 2.097 122.774 120.500 0.295 0.000 2.198 58 R HA 0.354 5.027 4.340 0.286 -0.162 0.339 58 R C -0.981 175.562 176.300 0.406 0.000 1.020 58 R CA -0.866 55.393 56.100 0.265 0.000 0.864 58 R CB 1.157 31.484 30.300 0.045 0.000 1.105 58 R HN -0.053 8.688 8.270 0.223 -0.338 0.463 59 Y N 8.737 129.250 120.300 0.354 0.000 2.341 59 Y HA 0.138 4.864 4.550 0.294 0.000 0.338 59 Y C -2.389 173.608 175.900 0.162 0.000 0.965 59 Y CA -2.116 56.169 58.100 0.309 0.000 1.108 59 Y CB 3.714 42.428 38.460 0.423 0.000 1.180 59 Y HN 0.443 9.020 8.280 0.494 0.000 0.458 60 K N 8.781 128.814 120.400 -0.611 0.000 2.349 60 K HA -0.177 3.529 4.320 -1.214 -0.115 0.289 60 K C -1.062 174.831 176.600 -1.179 0.000 1.064 60 K CA 0.461 56.158 56.287 -0.984 0.000 0.947 60 K CB -0.213 31.835 32.500 -0.753 0.000 1.007 60 K HN 0.488 8.509 8.250 -0.382 0.000 0.478 61 V N 6.856 126.234 119.914 -0.893 0.000 2.331 61 V HA -0.170 3.589 4.120 -0.602 0.000 0.242 61 V C 0.238 176.090 176.094 -0.403 0.000 1.034 61 V CA 1.188 63.090 62.300 -0.664 0.000 1.027 61 V CB 0.555 31.889 31.823 -0.816 0.000 0.667 61 V HN 0.493 8.186 8.190 -0.829 0.000 0.457 62 A N -4.512 118.032 122.820 -0.461 0.000 2.567 62 A HA 0.128 4.375 4.320 -0.267 -0.087 0.291 62 A C -2.888 174.484 177.584 -0.353 0.000 1.048 62 A CA -0.550 51.260 52.037 -0.378 0.000 0.661 62 A CB 2.679 21.307 19.000 -0.621 0.000 1.288 62 A HN -0.713 7.114 8.150 -0.538 0.000 0.424 63 N N -0.731 117.817 118.700 -0.253 0.000 2.530 63 N HA 0.231 4.982 4.740 -0.184 -0.121 0.277 63 N C 1.259 176.674 175.510 -0.158 0.000 1.168 63 N CA -0.414 52.528 53.050 -0.180 0.000 0.979 63 N CB 2.868 41.283 38.487 -0.120 0.000 1.141 63 N HN 0.066 8.676 8.380 -0.216 -0.360 0.459 64 I N 3.800 124.332 120.570 -0.063 0.000 2.248 64 I HA -0.451 3.648 4.170 -0.120 0.000 0.248 64 I C 1.225 177.295 176.117 -0.079 0.000 1.107 64 I CA 2.397 63.659 61.300 -0.064 0.000 1.373 64 I CB 0.304 38.323 38.000 0.032 0.000 1.055 64 I HN 0.650 8.860 8.210 -0.000 0.000 0.418 65 Q N -2.655 117.113 119.800 -0.054 0.000 2.224 65 Q HA -0.273 4.045 4.340 -0.036 0.000 0.203 65 Q C 3.003 178.975 176.000 -0.047 0.000 0.970 65 Q CA 2.486 58.264 55.803 -0.042 0.000 0.865 65 Q CB -0.868 27.855 28.738 -0.025 0.000 0.922 65 Q HN -0.010 8.561 8.270 -0.044 -0.327 0.445 66 Q N 0.049 119.804 119.800 -0.076 0.000 2.079 66 Q HA -0.271 4.065 4.340 -0.006 0.000 0.200 66 Q C 2.587 178.542 176.000 -0.076 0.000 0.974 66 Q CA 3.056 58.824 55.803 -0.058 0.000 0.840 66 Q CB -0.182 28.511 28.738 -0.076 0.000 0.898 66 Q HN -0.516 7.604 8.270 -0.096 0.092 0.430 67 V N 0.295 120.101 119.914 -0.179 0.000 2.307 67 V HA -0.499 3.543 4.120 -0.130 0.000 0.245 67 V C 2.043 178.109 176.094 -0.047 0.000 1.045 67 V CA 4.114 66.323 62.300 -0.152 0.000 1.024 67 V CB -0.746 30.942 31.823 -0.225 0.000 0.651 67 V HN -0.686 7.376 8.190 -0.214 0.000 0.449 68 Q N -1.801 117.967 119.800 -0.053 0.000 2.124 68 Q HA -0.431 3.896 4.340 -0.022 0.000 0.202 68 Q C 2.517 178.515 176.000 -0.003 0.000 0.977 68 Q CA 3.507 59.294 55.803 -0.026 0.000 0.850 68 Q CB -0.373 28.344 28.738 -0.035 0.000 0.901 68 Q HN 0.084 8.309 8.270 -0.074 0.000 0.429 69 Q N -0.227 119.574 119.800 0.002 0.000 2.084 69 Q HA -0.336 4.013 4.340 0.014 0.000 0.202 69 Q C 2.136 178.158 176.000 0.037 0.000 0.978 69 Q CA 2.864 58.678 55.803 0.018 0.000 0.844 69 Q CB -0.580 28.170 28.738 0.019 0.000 0.898 69 Q HN -0.147 8.118 8.270 -0.008 0.000 0.426 70 Q N 0.701 120.536 119.800 0.059 0.000 2.084 70 Q HA -0.257 4.133 4.340 0.083 0.000 0.202 70 Q C 2.672 178.712 176.000 0.066 0.000 0.978 70 Q CA 3.042 58.897 55.803 0.086 0.000 0.844 70 Q CB -0.145 28.688 28.738 0.159 0.000 0.898 70 Q HN -0.601 7.702 8.270 0.055 0.000 0.426 71 I N 0.245 120.846 120.570 0.051 0.000 2.226 71 I HA -0.493 3.705 4.170 0.047 0.000 0.245 71 I C 2.497 178.631 176.117 0.028 0.000 1.100 71 I CA 3.902 65.226 61.300 0.039 0.000 1.374 71 I CB -0.165 37.851 38.000 0.027 0.000 1.057 71 I HN -0.219 8.018 8.210 0.046 0.000 0.413 72 K N -0.766 119.648 120.400 0.022 0.000 2.097 72 K HA -0.266 4.062 4.320 0.014 0.000 0.205 72 K C 1.977 178.589 176.600 0.020 0.000 1.050 72 K CA 2.910 59.207 56.287 0.017 0.000 0.938 72 K CB -0.110 32.397 32.500 0.012 0.000 0.718 72 K HN -0.034 8.228 8.250 0.021 0.000 0.442 73 S N -1.406 114.310 115.700 0.027 0.000 2.421 73 S HA -0.051 4.432 4.470 0.022 0.000 0.224 73 S C 1.537 176.154 174.600 0.028 0.000 1.035 73 S CA 2.553 60.769 58.200 0.027 0.000 0.953 73 S CB 0.806 64.024 63.200 0.030 0.000 0.810 73 S HN -0.285 8.044 8.310 0.031 0.000 0.497 74 S N -0.744 114.978 115.700 0.035 0.000 2.549 74 S HA 0.161 4.649 4.470 0.030 0.000 0.225 74 S C 1.081 175.701 174.600 0.034 0.000 1.039 74 S CA 0.419 58.641 58.200 0.036 0.000 0.942 74 S CB 2.669 65.897 63.200 0.047 0.000 0.881 74 S HN -0.166 8.168 8.310 0.039 0.000 0.503 75 G N 2.535 111.355 108.800 0.033 0.000 2.179 75 G HA2 -0.431 3.634 3.960 0.026 0.000 0.260 75 G HA3 -0.431 3.544 3.960 0.025 0.000 0.260 75 G C -1.315 173.607 174.900 0.038 0.000 0.977 75 G CA 0.342 45.459 45.100 0.029 0.000 0.641 75 G HN -0.256 8.054 8.290 0.034 0.000 0.533 76 c N 0.791 119.422 118.600 0.052 0.000 2.373 76 c HA 0.026 4.628 4.570 0.052 0.000 0.354 76 c C -0.210 173.927 174.090 0.078 0.000 1.249 76 c CA -0.716 55.652 56.329 0.064 0.000 1.784 76 c CB -1.555 41.002 42.510 0.079 0.000 2.408 76 c HN -0.476 7.731 8.230 0.055 0.056 0.542 77 A N 8.815 131.675 122.820 0.066 0.000 2.379 77 A HA 0.157 4.526 4.320 0.081 0.000 0.236 77 A C -1.619 176.027 177.584 0.105 0.000 1.272 77 A CA -0.549 51.535 52.037 0.078 0.000 0.886 77 A CB 0.658 19.695 19.000 0.062 0.000 0.962 77 A HN 0.428 8.609 8.150 0.052 0.000 0.504 78 V N -1.734 118.234 119.914 0.089 0.000 2.555 78 V HA 0.718 5.120 4.120 0.124 -0.208 0.302 78 V C -1.464 174.683 176.094 0.089 0.000 1.038 78 V CA -1.767 60.560 62.300 0.045 0.000 0.887 78 V CB 2.740 34.471 31.823 -0.152 0.000 0.991 78 V HN -0.830 7.332 8.190 0.082 0.076 0.434 79 Y N 6.266 126.538 120.300 -0.046 0.000 2.322 79 Y HA 0.188 4.966 4.550 0.114 -0.160 0.324 79 Y C -2.279 173.703 175.900 0.137 0.000 1.027 79 Y CA -1.775 56.368 58.100 0.072 0.000 1.179 79 Y CB 3.038 41.560 38.460 0.103 0.000 1.136 79 Y HN 0.314 8.699 8.280 0.176 0.000 0.449 80 F N 7.363 127.393 119.950 0.133 0.000 2.382 80 F HA 0.467 5.358 4.527 0.329 -0.167 0.331 80 F C -0.527 175.484 175.800 0.351 0.000 1.121 80 F CA 0.821 58.955 58.000 0.224 0.000 1.183 80 F CB 1.934 40.976 39.000 0.070 0.000 1.207 80 F HN -0.098 8.627 8.300 0.123 -0.351 0.555 81 F N -3.913 116.260 119.950 0.373 0.000 2.831 81 F HA 0.395 5.098 4.527 0.293 0.000 0.318 81 F C -2.724 173.246 175.800 0.283 0.000 1.174 81 F CA -2.028 56.170 58.000 0.330 0.000 0.918 81 F CB 1.654 40.904 39.000 0.416 0.000 1.364 81 F HN 0.161 8.628 8.300 0.278 0.000 0.475 82 A N -0.981 122.032 122.820 0.322 0.000 2.365 82 A HA 0.724 5.245 4.320 0.016 -0.191 0.318 82 A C -2.001 175.721 177.584 0.231 0.000 1.091 82 A CA -1.219 50.899 52.037 0.135 0.000 0.763 82 A CB 2.488 21.559 19.000 0.118 0.000 1.248 82 A HN 0.116 8.563 8.150 0.495 0.000 0.442 83 Y N 2.129 122.465 120.300 0.060 0.000 2.522 83 Y HA 0.157 4.726 4.550 0.031 0.000 0.326 83 Y C -2.388 173.685 175.900 0.289 0.000 1.198 83 Y CA -0.780 57.414 58.100 0.157 0.000 1.112 83 Y CB 3.333 42.047 38.460 0.423 0.000 1.342 83 Y HN 0.286 8.665 8.280 0.166 0.000 0.460 84 P HA 0.034 3.614 4.420 -1.401 0.000 0.236 84 P C -1.341 175.778 177.300 -0.302 0.000 1.177 84 P CA 1.165 63.755 63.100 -0.850 0.000 0.773 84 P CB 0.605 31.838 31.700 -0.778 0.000 0.878 85 L N -2.095 119.058 121.223 -0.117 0.000 2.322 85 L HA 0.494 4.800 4.340 -0.057 0.000 0.269 85 L C 1.052 177.940 176.870 0.030 0.000 1.012 85 L CA -1.864 52.956 54.840 -0.033 0.000 0.815 85 L CB 1.539 43.608 42.059 0.017 0.000 1.295 85 L HN -0.518 7.881 8.230 -0.063 -0.207 0.438 86 T N -0.461 114.122 114.554 0.048 0.000 2.881 86 T HA -0.264 4.118 4.350 0.054 0.000 0.270 86 T C -0.210 174.566 174.700 0.126 0.000 1.068 86 T CA 2.791 64.936 62.100 0.076 0.000 1.131 86 T CB 0.049 68.960 68.868 0.071 0.000 0.871 86 T HN 0.432 8.697 8.240 0.042 0.000 0.479 87 D N -3.104 117.402 120.400 0.176 0.000 2.358 87 D HA -0.016 4.756 4.640 0.219 0.000 0.224 87 D C -0.890 175.626 176.300 0.361 0.000 1.123 87 D CA -0.951 53.199 54.000 0.249 0.000 0.833 87 D CB -0.944 40.022 40.800 0.278 0.000 0.946 87 D HN -0.168 8.277 8.370 0.175 0.030 0.505 88 E N -0.181 120.176 120.200 0.261 0.000 2.173 88 E HA 0.408 5.002 4.350 0.408 0.000 0.249 88 E C -2.167 174.455 176.600 0.037 0.000 0.923 88 E CA -3.201 53.343 56.400 0.241 0.000 0.754 88 E CB 1.156 31.004 29.700 0.246 0.000 1.177 88 E HN -0.679 7.711 8.360 0.190 0.083 0.430 89 P HA 0.313 4.862 4.420 -0.024 -0.143 0.275 89 P C -1.229 175.962 177.300 -0.181 0.000 1.227 89 P CA -0.446 62.613 63.100 -0.069 0.000 0.781 89 P CB 0.937 32.611 31.700 -0.043 0.000 0.906 90 C N -0.571 118.577 119.300 -0.255 0.000 3.236 90 C HA 0.824 5.315 4.460 -0.260 -0.187 0.312 90 C C -1.345 173.491 174.990 -0.257 0.000 1.374 90 C CA -1.156 57.592 59.018 -0.450 0.000 1.455 90 C CB 4.942 32.048 27.740 -1.057 0.000 1.834 90 C HN 0.601 8.695 8.230 -0.226 0.000 0.460 91 F N -3.662 116.148 119.950 -0.234 0.000 2.591 91 F HA 0.803 5.459 4.527 -0.049 -0.159 0.309 91 F C -2.429 173.518 175.800 0.244 0.000 1.098 91 F CA -2.254 55.678 58.000 -0.113 0.000 0.937 91 F CB 2.608 41.284 39.000 -0.540 0.000 1.250 91 F HN 0.572 8.571 8.300 -0.502 0.000 0.447 92 L N 0.347 121.849 121.223 0.464 0.000 2.395 92 L HA 0.657 5.312 4.340 0.218 -0.184 0.269 92 L C -0.718 176.359 176.870 0.345 0.000 1.133 92 L CA -0.757 54.267 54.840 0.308 0.000 0.812 92 L CB 0.926 43.102 42.059 0.195 0.000 1.125 92 L HN 0.603 9.193 8.230 0.599 0.000 0.452 93 V N 0.019 120.120 119.914 0.311 0.000 2.733 93 V HA 0.660 5.178 4.120 0.271 -0.234 0.306 93 V C -2.540 173.707 176.094 0.254 0.000 1.084 93 V CA -2.784 59.711 62.300 0.325 0.000 0.905 93 V CB 4.146 36.244 31.823 0.458 0.000 1.010 93 V HN 0.816 9.164 8.190 0.263 0.000 0.424 94 D N 8.482 128.984 120.400 0.171 0.000 2.393 94 D HA 0.269 5.161 4.640 0.146 -0.164 0.232 94 D C 0.536 176.930 176.300 0.157 0.000 1.192 94 D CA -1.165 52.915 54.000 0.134 0.000 0.882 94 D CB 0.293 41.129 40.800 0.059 0.000 1.038 94 D HN -0.217 8.242 8.370 0.150 0.000 0.499 95 L N 5.453 126.818 121.223 0.236 0.000 2.275 95 L HA -0.357 4.062 4.340 0.132 0.000 0.215 95 L C 1.529 178.457 176.870 0.097 0.000 1.119 95 L CA 2.574 57.512 54.840 0.165 0.000 0.790 95 L CB -0.051 42.096 42.059 0.147 0.000 0.919 95 L HN 0.130 8.564 8.230 0.340 0.000 0.443 96 Q N 0.118 119.975 119.800 0.096 0.000 2.083 96 Q HA -0.190 4.382 4.340 0.042 -0.206 0.198 96 Q C 2.291 178.309 176.000 0.030 0.000 0.969 96 Q CA 2.912 58.746 55.803 0.051 0.000 0.838 96 Q CB 0.041 28.805 28.738 0.044 0.000 0.900 96 Q HN -0.209 8.267 8.270 0.122 -0.133 0.436 97 A N 0.221 123.062 122.820 0.034 0.000 1.940 97 A HA -0.260 4.068 4.320 0.014 0.000 0.219 97 A C 1.564 179.158 177.584 0.016 0.000 1.176 97 A CA 2.536 54.587 52.037 0.023 0.000 0.631 97 A CB -0.670 18.346 19.000 0.027 0.000 0.814 97 A HN -0.510 7.963 8.150 0.043 -0.297 0.446 98 L N -3.687 117.551 121.223 0.025 0.000 2.005 98 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 98 L C 1.837 178.688 176.870 -0.032 0.000 1.072 98 L CA 3.210 58.052 54.840 0.003 0.000 0.744 98 L CB 0.443 42.514 42.059 0.020 0.000 0.895 98 L HN -0.433 7.806 8.230 0.043 0.017 0.433 99 T N -8.200 106.337 114.554 -0.027 0.000 3.037 99 T HA 0.113 4.537 4.350 -0.091 -0.129 0.251 99 T C 1.422 176.098 174.700 -0.040 0.000 1.079 99 T CA 0.205 62.272 62.100 -0.055 0.000 1.067 99 T CB 1.801 70.640 68.868 -0.048 0.000 0.948 99 T HN -0.464 7.774 8.240 -0.004 0.000 0.496 100 G N 2.408 111.197 108.800 -0.019 0.000 2.179 100 G HA2 -0.396 3.600 3.960 -0.007 0.000 0.260 100 G HA3 -0.396 3.553 3.960 -0.017 0.000 0.260 100 G C -0.654 174.243 174.900 -0.005 0.000 0.977 100 G CA 0.360 45.453 45.100 -0.012 0.000 0.641 100 G HN -0.119 8.165 8.290 -0.011 0.000 0.533 101 Q N -0.431 119.368 119.800 -0.001 0.000 2.245 101 Q HA 0.191 4.534 4.340 0.004 0.000 0.256 101 Q C -0.422 175.591 176.000 0.021 0.000 0.942 101 Q CA -1.392 54.414 55.803 0.005 0.000 0.896 101 Q CB 1.570 30.308 28.738 -0.000 0.000 1.272 101 Q HN -0.494 7.697 8.270 -0.004 0.077 0.442 102 Q N 4.124 123.937 119.800 0.023 0.000 2.837 102 Q HA -0.067 4.296 4.340 0.039 0.000 0.235 102 Q C -1.448 174.586 176.000 0.056 0.000 1.348 102 Q CA -0.246 55.578 55.803 0.035 0.000 0.990 102 Q CB -0.690 28.061 28.738 0.022 0.000 1.570 102 Q HN 0.350 8.630 8.270 0.016 0.000 0.575 103 I N 5.476 126.096 120.570 0.084 0.000 2.322 103 I HA 0.097 4.315 4.170 0.081 0.000 0.292 103 I C -0.177 176.090 176.117 0.251 0.000 1.060 103 I CA -1.601 59.767 61.300 0.114 0.000 1.309 103 I CB -1.582 36.452 38.000 0.057 0.000 1.415 103 I HN -0.320 7.902 8.210 0.085 0.040 0.492 104 T N 1.641 116.329 114.554 0.223 0.000 3.003 104 T HA 0.402 5.124 4.350 0.251 -0.222 0.261 104 T C -0.171 174.714 174.700 0.310 0.000 1.003 104 T CA -1.122 61.117 62.100 0.231 0.000 0.917 104 T CB 1.569 70.488 68.868 0.084 0.000 1.084 104 T HN 0.303 8.636 8.240 0.156 0.000 0.522 105 E N 1.267 121.656 120.200 0.316 0.000 2.354 105 E HA 0.644 5.408 4.350 0.364 -0.195 0.283 105 E C -1.784 174.898 176.600 0.137 0.000 0.938 105 E CA -0.830 55.723 56.400 0.255 0.000 0.777 105 E CB 3.349 33.125 29.700 0.126 0.000 1.222 105 E HN -0.691 7.816 8.360 0.245 0.000 0.423 106 I N -1.309 119.334 120.570 0.121 0.000 2.934 106 I HA 0.768 4.933 4.170 -0.008 0.000 0.306 106 I C -3.194 172.956 176.117 0.055 0.000 1.110 106 I CA -3.474 57.829 61.300 0.005 0.000 1.019 106 I CB 2.234 40.151 38.000 -0.140 0.000 1.227 106 I HN 0.628 8.972 8.210 0.224 0.000 0.434 107 P HA 0.163 4.609 4.420 0.044 0.000 0.276 107 P C -1.686 175.667 177.300 0.089 0.000 1.244 107 P CA -0.801 62.330 63.100 0.052 0.000 0.801 107 P CB 0.860 32.580 31.700 0.033 0.000 1.006 108 N N -0.158 118.606 118.700 0.107 0.000 2.500 108 N HA 0.270 5.119 4.740 0.182 0.000 0.236 108 N C -0.244 175.370 175.510 0.174 0.000 1.022 108 N CA -3.619 49.532 53.050 0.170 0.000 0.935 108 N CB 0.408 39.019 38.487 0.206 0.000 1.147 108 N HN -0.229 8.202 8.380 0.086 0.000 0.512 109 P HA -0.116 4.320 4.420 0.027 0.000 0.230 109 P C -0.289 176.996 177.300 -0.026 0.000 1.158 109 P CA 1.164 64.269 63.100 0.008 0.000 0.769 109 P CB 0.088 31.730 31.700 -0.096 0.000 0.807 110 Y N -4.382 116.019 120.300 0.168 0.000 2.461 110 Y HA -0.079 4.533 4.550 0.103 0.000 0.277 110 Y C -0.192 175.790 175.900 0.137 0.000 1.182 110 Y CA -0.877 57.318 58.100 0.157 0.000 1.276 110 Y CB -0.314 38.308 38.460 0.269 0.000 1.087 110 Y HN -0.775 7.924 8.280 0.367 -0.199 0.519 111 Y N 2.402 122.800 120.300 0.162 0.000 2.810 111 Y HA -0.500 4.286 4.550 0.124 -0.162 0.332 111 Y C 1.497 177.434 175.900 0.061 0.000 1.243 111 Y CA 1.776 59.940 58.100 0.106 0.000 1.537 111 Y CB -0.078 38.424 38.460 0.070 0.000 1.265 111 Y HN -0.655 7.775 8.280 0.364 0.068 0.572 112 G N 7.911 116.375 108.800 -0.559 0.000 2.184 112 G HA2 -0.525 3.137 3.960 -0.496 0.000 0.264 112 G HA3 -0.525 3.187 3.960 -0.414 0.000 0.264 112 G C 0.069 174.835 174.900 -0.224 0.000 0.975 112 G CA 0.422 45.260 45.100 -0.437 0.000 0.642 112 G HN 0.819 8.734 8.290 -0.625 0.000 0.536 113 K N -1.939 118.334 120.400 -0.211 0.000 2.361 113 K HA 0.009 4.146 4.320 -0.305 0.000 0.196 113 K C -0.329 175.837 176.600 -0.722 0.000 1.039 113 K CA 0.594 56.631 56.287 -0.417 0.000 1.001 113 K CB 0.930 33.179 32.500 -0.418 0.000 0.795 113 K HN -0.154 7.947 8.250 -0.129 0.071 0.495 114 Y N -2.694 117.609 120.300 0.004 0.000 2.605 114 Y HA 0.158 4.704 4.550 -0.007 0.000 0.343 114 Y C -1.277 174.602 175.900 -0.035 0.000 1.036 114 Y CA -2.209 55.884 58.100 -0.012 0.000 1.065 114 Y CB 3.279 41.729 38.460 -0.016 0.000 1.288 114 Y HN -0.735 7.462 8.280 -0.138 0.000 0.481 115 A N 1.019 123.930 122.820 0.152 0.000 2.304 115 A HA 0.415 4.753 4.320 0.029 0.000 0.271 115 A C 0.077 177.699 177.584 0.064 0.000 1.091 115 A CA 0.004 52.081 52.037 0.067 0.000 0.812 115 A CB 0.647 19.680 19.000 0.054 0.000 1.056 115 A HN 0.537 8.814 8.150 0.213 0.000 0.489 116 G N -0.679 108.141 108.800 0.033 0.000 2.698 116 G HA2 -0.340 3.634 3.960 0.024 0.000 0.233 116 G HA3 -0.340 3.643 3.960 0.039 0.000 0.233 116 G C -1.858 173.064 174.900 0.037 0.000 1.352 116 G CA -0.425 44.695 45.100 0.033 0.000 0.879 116 G HN 0.064 8.366 8.290 0.020 0.000 0.567 117 P HA -0.294 4.152 4.420 0.044 0.000 0.217 117 P C 0.972 178.304 177.300 0.052 0.000 1.148 117 P CA 2.609 65.736 63.100 0.044 0.000 0.834 117 P CB 0.259 31.983 31.700 0.042 0.000 0.783 118 L N -3.778 117.478 121.223 0.055 0.000 2.179 118 L HA -0.131 4.232 4.340 0.038 0.000 0.208 118 L C 2.397 179.321 176.870 0.090 0.000 1.096 118 L CA 2.170 57.041 54.840 0.052 0.000 0.779 118 L CB -0.522 41.554 42.059 0.027 0.000 0.922 118 L HN -0.270 7.984 8.230 0.058 0.010 0.443 119 G N -2.675 106.181 108.800 0.093 0.000 2.598 119 G HA2 -0.274 3.775 3.960 0.148 0.000 0.215 119 G HA3 -0.274 4.030 3.960 0.052 -0.313 0.215 119 G C -0.125 174.751 174.900 -0.039 0.000 1.131 119 G CA 1.406 46.550 45.100 0.073 0.000 0.785 119 G HN 0.213 8.539 8.290 0.084 0.015 0.539 120 Q N -0.244 119.572 119.800 0.027 0.000 2.392 120 Q HA -0.024 4.287 4.340 -0.048 0.000 0.203 120 Q C -0.162 176.025 176.000 0.311 0.000 0.917 120 Q CA -1.052 54.812 55.803 0.101 0.000 0.939 120 Q CB 0.480 29.270 28.738 0.086 0.000 1.063 120 Q HN -0.564 7.443 8.270 0.051 0.294 0.516 121 I N 1.319 122.030 120.570 0.236 0.000 2.587 121 I HA -0.268 3.999 4.170 0.161 0.000 0.284 121 I C -0.257 176.028 176.117 0.280 0.000 1.134 121 I CA 1.315 62.736 61.300 0.203 0.000 1.410 121 I CB 0.013 38.091 38.000 0.130 0.000 1.392 121 I HN -0.972 7.294 8.210 0.178 0.051 0.545 122 Q N 3.680 123.564 119.800 0.140 0.000 2.204 122 Q HA -0.085 4.229 4.340 -0.044 0.000 0.198 122 Q C 0.308 176.319 176.000 0.019 0.000 0.946 122 Q CA 1.931 57.724 55.803 -0.016 0.000 0.859 122 Q CB 1.166 29.796 28.738 -0.180 0.000 0.946 122 Q HN 0.402 8.736 8.270 0.107 0.000 0.474 123 T N -7.078 107.504 114.554 0.046 0.000 2.883 123 T HA 0.434 4.987 4.350 0.067 -0.163 0.301 123 T C -1.321 173.427 174.700 0.080 0.000 1.158 123 T CA -2.674 59.461 62.100 0.059 0.000 1.007 123 T CB 2.865 71.758 68.868 0.042 0.000 1.186 123 T HN -0.760 7.511 8.240 0.051 0.000 0.499 124 I N 2.872 123.509 120.570 0.112 0.000 2.330 124 I HA 0.208 4.428 4.170 0.083 0.000 0.289 124 I C -1.059 175.178 176.117 0.201 0.000 1.001 124 I CA -1.968 59.412 61.300 0.135 0.000 1.193 124 I CB 0.750 38.844 38.000 0.157 0.000 1.345 124 I HN 0.810 9.092 8.210 0.121 0.000 0.461 125 K N 7.576 128.022 120.400 0.078 0.000 2.205 125 K HA 0.180 4.682 4.320 0.104 -0.119 0.279 125 K C 0.590 177.053 176.600 -0.228 0.000 1.027 125 K CA -0.753 55.544 56.287 0.017 0.000 0.932 125 K CB 0.999 33.484 32.500 -0.025 0.000 1.032 125 K HN 0.435 8.706 8.250 0.035 0.000 0.466 126 G N 1.937 110.454 108.800 -0.472 0.000 2.491 126 G HA2 0.119 3.137 3.960 -1.825 0.000 0.242 126 G HA3 0.119 3.518 3.960 -1.142 -0.124 0.242 126 G C -0.644 173.937 174.900 -0.532 0.000 1.266 126 G CA -0.297 44.137 45.100 -1.110 0.000 0.844 126 G HN 0.085 8.175 8.290 -0.149 0.110 0.571 127 V N -1.973 117.632 119.914 -0.515 0.000 3.103 127 V HA 0.435 4.386 4.120 -0.281 0.000 0.318 127 V C -0.346 175.486 176.094 -0.437 0.000 1.114 127 V CA -2.720 59.372 62.300 -0.345 0.000 1.020 127 V CB 2.739 34.431 31.823 -0.217 0.000 1.085 127 V HN 0.305 8.116 8.190 -0.633 0.000 0.446 128 G N -2.116 106.274 108.800 -0.682 0.000 2.710 128 G HA2 -0.273 2.241 3.960 -2.410 0.000 0.668 128 G HA3 -0.273 3.184 3.960 -0.838 0.000 0.668 128 G C -1.213 173.258 174.900 -0.715 0.000 1.320 128 G CA -0.424 43.980 45.100 -1.161 0.000 0.860 128 G HN -0.141 7.795 8.290 -0.589 0.000 0.538 129 P HA -0.048 4.245 4.420 -0.213 0.000 0.222 129 P C -0.509 176.683 177.300 -0.180 0.000 1.147 129 P CA 1.663 64.606 63.100 -0.262 0.000 0.790 129 P CB 0.012 31.615 31.700 -0.162 0.000 0.780 130 N N -4.258 114.331 118.700 -0.186 0.000 2.373 130 N HA -0.035 4.651 4.740 -0.090 0.000 0.181 130 N C 0.465 175.905 175.510 -0.117 0.000 1.082 130 N CA 0.168 53.147 53.050 -0.119 0.000 0.885 130 N CB 0.236 38.668 38.487 -0.092 0.000 0.977 130 N HN -0.060 8.152 8.380 -0.231 0.029 0.462 131 G N 0.113 108.806 108.800 -0.179 0.000 2.160 131 G HA2 -0.394 3.561 3.960 -0.225 0.000 0.251 131 G HA3 -0.394 3.495 3.960 -0.120 0.000 0.251 131 G C -0.397 174.392 174.900 -0.184 0.000 1.008 131 G CA 0.994 45.987 45.100 -0.177 0.000 0.724 131 G HN 0.011 7.994 8.290 -0.237 0.164 0.514 132 T N -5.336 109.112 114.554 -0.176 0.000 3.084 132 T HA 0.404 4.998 4.350 0.107 -0.181 0.270 132 T C -0.888 173.765 174.700 -0.080 0.000 1.008 132 T CA -2.118 59.966 62.100 -0.026 0.000 0.900 132 T CB 1.195 70.093 68.868 0.050 0.000 1.084 132 T HN -0.654 7.468 8.240 -0.198 0.000 0.538 133 I N 2.493 122.855 120.570 -0.347 0.000 2.331 133 I HA 0.364 4.689 4.170 -0.031 -0.174 0.292 133 I C -1.394 174.399 176.117 -0.539 0.000 0.998 133 I CA 0.095 61.241 61.300 -0.257 0.000 1.267 133 I CB 1.257 39.126 38.000 -0.219 0.000 1.386 133 I HN -0.804 7.214 8.210 -0.414 -0.057 0.476 134 F N 6.661 126.592 119.950 -0.031 0.000 2.654 134 F HA 0.392 4.833 4.527 -0.143 0.000 0.334 134 F C -2.015 173.704 175.800 -0.135 0.000 1.078 134 F CA -1.567 56.373 58.000 -0.101 0.000 0.986 134 F CB 4.560 43.531 39.000 -0.048 0.000 1.362 134 F HN 0.484 8.921 8.300 0.228 0.000 0.498 135 A N -3.142 119.577 122.820 -0.167 0.000 2.594 135 A HA 0.877 5.282 4.320 -0.154 -0.177 0.295 135 A C -1.979 175.190 177.584 -0.692 0.000 1.071 135 A CA -0.827 51.063 52.037 -0.245 0.000 0.685 135 A CB 3.466 22.484 19.000 0.030 0.000 1.285 135 A HN 0.280 8.267 8.150 -0.273 0.000 0.405 136 F N -1.315 118.313 119.950 -0.536 0.000 2.613 136 F HA 0.486 5.008 4.527 -0.215 -0.124 0.314 136 F C -0.834 174.695 175.800 -0.451 0.000 1.075 136 F CA -1.386 56.329 58.000 -0.474 0.000 0.945 136 F CB 5.419 44.068 39.000 -0.584 0.000 1.310 136 F HN 0.529 8.452 8.300 -0.628 0.000 0.467 137 S N -0.138 115.539 115.700 -0.038 0.000 2.568 137 S HA -0.243 4.040 4.470 -0.313 0.000 0.282 137 S C 0.512 175.087 174.600 -0.042 0.000 1.338 137 S CA 1.171 59.263 58.200 -0.180 0.000 1.045 137 S CB 0.734 63.802 63.200 -0.220 0.000 0.873 137 S HN 0.136 8.490 8.310 0.074 0.000 0.516 138 D N 6.281 126.648 120.400 -0.055 0.000 2.342 138 D HA 0.201 5.012 4.640 0.284 0.000 0.221 138 D C -1.010 175.205 176.300 -0.142 0.000 1.101 138 D CA -0.455 53.601 54.000 0.094 0.000 0.837 138 D CB 0.733 41.669 40.800 0.227 0.000 0.938 138 D HN 0.194 8.452 8.370 -0.186 0.000 0.508 139 V N -0.937 118.828 119.914 -0.249 0.000 2.357 139 V HA 0.176 4.177 4.120 -0.409 -0.127 0.284 139 V C -0.505 175.497 176.094 -0.153 0.000 1.018 139 V CA -2.303 59.795 62.300 -0.336 0.000 0.841 139 V CB 0.525 32.065 31.823 -0.472 0.000 0.991 139 V HN -0.679 7.295 8.190 -0.233 0.077 0.437 140 C N 8.314 127.542 119.300 -0.120 0.000 2.642 140 C HA -0.137 4.375 4.460 0.087 0.000 0.420 140 C C 1.026 176.031 174.990 0.026 0.000 1.349 140 C CA 0.643 59.681 59.018 0.032 0.000 1.821 140 C CB 0.474 28.276 27.740 0.104 0.000 2.637 140 C HN 0.452 8.590 8.230 -0.152 0.000 0.605 141 V N 4.362 124.430 119.914 0.257 0.000 3.633 141 V HA 0.045 4.461 4.120 0.495 0.000 0.283 141 V C -0.413 175.940 176.094 0.432 0.000 1.305 141 V CA 0.111 62.652 62.300 0.402 0.000 1.153 141 V CB -1.225 30.845 31.823 0.411 0.000 0.950 141 V HN -0.017 8.373 8.190 0.334 0.000 0.432 142 H N 1.200 120.402 119.070 0.221 0.000 2.266 142 H HA -0.125 4.547 4.556 0.195 0.000 0.309 142 H C -0.085 175.319 175.328 0.126 0.000 1.054 142 H CA 2.877 59.023 56.048 0.164 0.000 1.328 142 H CB 1.117 30.948 29.762 0.116 0.000 1.407 142 H HN -0.828 7.625 8.280 0.383 0.057 0.508 143 L N -2.512 118.496 121.223 -0.358 0.000 3.431 143 L HA 0.193 4.370 4.340 -0.273 0.000 0.316 143 L C -0.840 175.580 176.870 -0.751 0.000 1.305 143 L CA -0.489 54.073 54.840 -0.464 0.000 0.995 143 L CB 1.574 43.414 42.059 -0.365 0.000 1.411 143 L HN -0.348 7.801 8.230 -0.135 0.000 0.610 144 G N -1.545 106.477 108.800 -1.297 0.000 2.148 144 G HA2 -0.399 2.883 3.960 -1.314 0.000 0.254 144 G HA3 -0.399 2.705 3.960 -1.426 0.000 0.254 144 G C -0.177 174.508 174.900 -0.357 0.000 0.981 144 G CA 0.682 45.049 45.100 -1.221 0.000 0.670 144 G HN -0.611 7.036 8.290 -1.071 0.000 0.528 145 C N -1.209 117.972 119.300 -0.198 0.000 2.689 145 C HA -0.126 4.333 4.460 -0.002 0.000 0.409 145 C C -0.289 174.650 174.990 -0.085 0.000 1.293 145 C CA 0.307 59.291 59.018 -0.057 0.000 2.136 145 C CB -0.174 27.553 27.740 -0.022 0.000 2.719 145 C HN -0.113 7.950 8.230 -0.195 0.050 0.644 146 Q N 1.906 121.686 119.800 -0.034 0.000 2.286 146 Q HA 0.309 4.663 4.340 -0.240 -0.157 0.257 146 Q C -0.462 175.508 176.000 -0.049 0.000 0.941 146 Q CA 0.325 56.062 55.803 -0.110 0.000 0.912 146 Q CB 1.032 29.747 28.738 -0.038 0.000 1.192 146 Q HN 0.355 8.650 8.270 0.041 0.000 0.410 147 L N 6.146 127.350 121.223 -0.031 0.000 2.305 147 L HA 0.342 4.699 4.340 0.029 0.000 0.281 147 L C -0.984 175.886 176.870 0.001 0.000 1.085 147 L CA -2.312 52.539 54.840 0.017 0.000 0.813 147 L CB 0.270 42.365 42.059 0.060 0.000 1.157 147 L HN 0.304 8.503 8.230 -0.052 0.000 0.436 148 P HA 0.227 4.780 4.420 -0.022 -0.146 0.220 148 P C -0.530 176.750 177.300 -0.034 0.000 1.806 148 P CA -0.853 62.233 63.100 -0.022 0.000 0.976 148 P CB -1.584 30.096 31.700 -0.033 0.000 1.952 149 A N 2.846 125.618 122.820 -0.080 0.000 2.121 149 A HA -0.268 3.893 4.320 -0.265 0.000 0.218 149 A C 0.144 177.655 177.584 -0.122 0.000 1.154 149 A CA 2.356 54.221 52.037 -0.286 0.000 0.679 149 A CB -0.268 18.114 19.000 -1.030 0.000 0.795 149 A HN -0.324 7.740 8.150 -0.036 0.065 0.458 150 Q N -4.948 114.910 119.800 0.097 0.000 2.432 150 Q HA -0.138 4.265 4.340 0.106 0.000 0.205 150 Q C -0.590 175.432 176.000 0.037 0.000 0.945 150 Q CA 1.179 57.056 55.803 0.123 0.000 0.924 150 Q CB -0.097 28.769 28.738 0.213 0.000 1.016 150 Q HN 0.117 8.433 8.270 0.163 0.053 0.503 151 V N 2.901 122.818 119.914 0.005 0.000 2.339 151 V HA 0.041 4.292 4.120 -0.001 -0.132 0.261 151 V C -1.522 174.570 176.094 -0.004 0.000 1.058 151 V CA -0.195 62.101 62.300 -0.006 0.000 0.897 151 V CB -0.377 31.433 31.823 -0.022 0.000 1.052 151 V HN -0.608 7.421 8.190 -0.003 0.158 0.480 152 I N 9.323 129.896 120.570 0.005 0.000 2.352 152 I HA 0.341 4.694 4.170 0.011 -0.177 0.290 152 I C -0.446 175.688 176.117 0.028 0.000 1.036 152 I CA -2.335 58.972 61.300 0.012 0.000 1.336 152 I CB -1.362 36.642 38.000 0.008 0.000 1.407 152 I HN 0.656 8.870 8.210 0.007 0.000 0.497 153 V N 2.597 122.549 119.914 0.063 0.000 3.046 153 V HA 0.646 4.800 4.120 0.058 0.000 0.316 153 V C -0.409 175.803 176.094 0.197 0.000 1.104 153 V CA -3.010 59.345 62.300 0.091 0.000 1.006 153 V CB 3.431 35.290 31.823 0.060 0.000 1.058 153 V HN 0.421 8.655 8.190 0.075 0.000 0.440 154 S N -0.600 115.205 115.700 0.176 0.000 2.650 154 S HA 0.145 4.828 4.470 0.354 0.000 0.240 154 S C -0.529 174.208 174.600 0.227 0.000 1.007 154 S CA 0.156 58.508 58.200 0.254 0.000 0.984 154 S CB 0.548 63.821 63.200 0.122 0.000 0.910 154 S HN 0.509 8.882 8.310 0.105 0.000 0.509 155 S N 0.792 116.512 115.700 0.034 0.000 2.541 155 S HA 0.199 4.481 4.470 -0.313 0.000 0.280 155 S C 0.409 174.727 174.600 -0.470 0.000 1.112 155 S CA -1.007 57.046 58.200 -0.245 0.000 0.925 155 S CB 1.830 64.956 63.200 -0.123 0.000 1.067 155 S HN -0.542 7.812 8.310 0.075 0.000 0.479 156 E N 5.811 125.556 120.200 -0.757 0.000 2.204 156 E HA -0.317 3.683 4.350 -0.583 0.000 0.195 156 E C 0.782 177.334 176.600 -0.081 0.000 0.990 156 E CA 3.265 59.351 56.400 -0.524 0.000 0.821 156 E CB -0.070 29.369 29.700 -0.434 0.000 0.750 156 E HN 0.696 8.575 8.360 -0.801 0.000 0.477 157 S N -3.589 112.068 115.700 -0.072 0.000 2.593 157 S HA -0.041 4.556 4.470 0.212 0.000 0.217 157 S C 0.229 174.801 174.600 -0.047 0.000 0.966 157 S CA 0.256 58.490 58.200 0.057 0.000 0.914 157 S CB 0.159 63.352 63.200 -0.011 0.000 0.776 157 S HN -0.702 7.481 8.310 -0.152 0.036 0.523 158 D N 4.140 124.446 120.400 -0.156 0.000 2.225 158 D HA 0.358 4.831 4.640 -0.278 0.000 0.248 158 D C -1.923 174.054 176.300 -0.538 0.000 1.096 158 D CA -1.919 51.917 54.000 -0.274 0.000 0.863 158 D CB 0.809 41.528 40.800 -0.135 0.000 1.156 158 D HN -0.760 7.488 8.370 -0.112 0.054 0.450 159 P HA -0.278 3.868 4.420 -0.675 -0.130 0.266 159 P C -0.777 176.406 177.300 -0.195 0.000 1.195 159 P CA 0.202 62.996 63.100 -0.510 0.000 0.768 159 P CB 0.741 32.245 31.700 -0.328 0.000 0.838 160 G N 0.289 109.046 108.800 -0.071 0.000 2.331 160 G HA2 -0.220 3.931 3.960 -0.023 0.000 0.479 160 G HA3 -0.220 3.818 3.960 -0.029 -0.096 0.479 160 G C -2.809 172.111 174.900 0.033 0.000 1.262 160 G CA -0.513 44.575 45.100 -0.020 0.000 1.029 160 G HN -0.056 8.216 8.290 -0.030 0.000 0.487 161 L N 0.465 121.701 121.223 0.021 0.000 2.264 161 L HA 0.551 5.082 4.340 0.055 -0.158 0.287 161 L C -1.516 175.409 176.870 0.092 0.000 1.039 161 L CA -1.871 52.988 54.840 0.032 0.000 0.829 161 L CB 1.801 43.831 42.059 -0.047 0.000 1.211 161 L HN 0.280 8.512 8.230 0.003 0.000 0.427 162 Y N 9.088 129.388 120.300 0.001 0.000 2.624 162 Y HA 0.092 4.844 4.550 -0.000 -0.202 0.354 162 Y C -0.789 175.112 175.900 0.002 0.000 1.051 162 Y CA -1.419 56.684 58.100 0.005 0.000 1.377 162 Y CB 0.488 38.959 38.460 0.018 0.000 1.168 162 Y HN 0.614 9.037 8.280 0.238 0.000 0.525 163 A N 8.454 131.116 122.820 -0.263 0.000 1.902 163 A HA -0.353 3.876 4.320 -0.152 0.000 0.217 163 A C 1.482 178.830 177.584 -0.393 0.000 1.181 163 A CA 3.130 55.020 52.037 -0.245 0.000 0.623 163 A CB -0.467 18.449 19.000 -0.139 0.000 0.818 163 A HN 0.200 8.261 8.150 -0.149 0.000 0.443 164 K N -2.348 117.630 120.400 -0.703 0.000 2.147 164 K HA -0.274 3.861 4.320 -0.309 0.000 0.205 164 K C 0.831 177.156 176.600 -0.458 0.000 1.049 164 K CA 2.230 58.195 56.287 -0.536 0.000 0.936 164 K CB -0.175 32.018 32.500 -0.512 0.000 0.722 164 K HN 0.428 8.138 8.250 -0.899 0.000 0.446 165 G N -5.375 103.031 108.800 -0.657 0.000 3.126 165 G HA2 0.124 4.041 3.960 -0.072 0.000 0.224 165 G HA3 0.124 4.134 3.960 0.082 0.000 0.224 165 G C -0.991 173.878 174.900 -0.052 0.000 1.142 165 G CA -0.681 44.337 45.100 -0.137 0.000 0.759 165 G HN -0.832 6.677 8.290 -1.268 0.020 0.550 166 A N -0.091 122.668 122.820 -0.103 0.000 2.745 166 A HA -0.431 3.862 4.320 -0.044 0.000 0.296 166 A C -2.206 175.385 177.584 0.012 0.000 1.500 166 A CA 0.842 52.855 52.037 -0.039 0.000 0.766 166 A CB -2.050 16.926 19.000 -0.039 0.000 1.030 166 A HN -0.520 7.395 8.150 -0.201 0.115 0.489 167 D N -1.861 118.594 120.400 0.092 0.000 2.344 167 D HA 0.633 5.502 4.640 0.077 -0.183 0.239 167 D C -1.731 174.648 176.300 0.131 0.000 1.064 167 D CA -0.742 53.333 54.000 0.124 0.000 0.829 167 D CB 2.994 43.909 40.800 0.190 0.000 1.129 167 D HN -0.751 7.680 8.370 0.118 0.010 0.506 168 L N 5.120 126.413 121.223 0.115 0.000 2.276 168 L HA 0.419 4.980 4.340 0.111 -0.154 0.286 168 L C -2.416 174.577 176.870 0.205 0.000 1.024 168 L CA -1.276 53.648 54.840 0.140 0.000 0.826 168 L CB 1.988 44.118 42.059 0.118 0.000 1.211 168 L HN 0.390 8.686 8.230 0.111 0.000 0.422 169 H N 8.882 127.981 119.070 0.049 0.000 2.504 169 H HA 0.532 5.259 4.556 -0.024 -0.185 0.322 169 H C -1.167 174.170 175.328 0.016 0.000 1.055 169 H CA -2.768 53.282 56.048 0.005 0.000 1.231 169 H CB 2.336 32.085 29.762 -0.022 0.000 1.417 169 H HN 0.738 9.153 8.280 0.224 0.000 0.472 170 C N 8.434 127.907 119.300 0.289 0.000 2.514 170 C HA 0.351 4.901 4.460 0.150 0.000 0.392 170 C C -0.687 174.406 174.990 0.173 0.000 1.294 170 C CA -2.897 56.237 59.018 0.193 0.000 1.957 170 C CB 0.881 28.722 27.740 0.169 0.000 2.541 170 C HN 0.718 9.059 8.230 0.185 0.000 0.569 171 P HA -0.021 4.371 4.420 -0.047 0.000 0.225 171 P C -0.425 176.830 177.300 -0.076 0.000 1.156 171 P CA 1.397 64.477 63.100 -0.033 0.000 0.787 171 P CB -0.134 31.528 31.700 -0.064 0.000 0.802 172 C N -2.343 116.885 119.300 -0.120 0.000 2.489 172 C HA -0.191 4.072 4.460 -0.328 0.000 0.279 172 C C 0.697 175.287 174.990 -0.666 0.000 1.266 172 C CA 1.916 60.705 59.018 -0.380 0.000 1.707 172 C CB -0.334 27.184 27.740 -0.369 0.000 2.059 172 C HN -0.402 7.753 8.230 -0.054 0.043 0.481 173 H N -3.259 115.853 119.070 0.070 0.000 3.182 173 H HA 0.045 4.614 4.556 0.022 0.000 0.254 173 H C -0.212 175.085 175.328 -0.052 0.000 1.197 173 H CA -0.915 55.141 56.048 0.014 0.000 1.061 173 H CB 0.532 30.297 29.762 0.006 0.000 1.722 173 H HN -0.359 7.888 8.280 -0.055 0.000 0.662 174 G N -0.345 108.483 108.800 0.046 0.000 2.136 174 G HA2 -0.422 3.679 3.960 0.080 0.000 0.242 174 G HA3 -0.422 3.511 3.960 -0.045 0.000 0.242 174 G C -0.279 174.460 174.900 -0.268 0.000 0.989 174 G CA 0.273 45.344 45.100 -0.047 0.000 0.682 174 G HN -0.541 7.791 8.290 0.069 0.000 0.522 175 S N 0.095 115.668 115.700 -0.211 0.000 2.549 175 S HA -0.050 4.382 4.470 -0.393 -0.197 0.286 175 S C -0.720 173.587 174.600 -0.488 0.000 1.314 175 S CA 2.075 60.047 58.200 -0.381 0.000 1.062 175 S CB 0.517 63.489 63.200 -0.379 0.000 0.865 175 S HN -0.366 7.841 8.310 -0.102 0.042 0.498 176 I N 3.961 124.196 120.570 -0.557 0.000 2.418 176 I HA 0.445 4.643 4.170 -0.303 -0.209 0.287 176 I C -1.329 174.537 176.117 -0.418 0.000 1.008 176 I CA -0.976 60.078 61.300 -0.411 0.000 1.104 176 I CB 2.436 40.245 38.000 -0.320 0.000 1.264 176 I HN 0.294 8.191 8.210 -0.523 0.000 0.438 177 Y N 5.951 126.231 120.300 -0.033 0.000 2.331 177 Y HA 0.410 5.128 4.550 -0.018 -0.180 0.338 177 Y C -0.773 175.095 175.900 -0.054 0.000 0.992 177 Y CA -2.338 55.743 58.100 -0.032 0.000 1.121 177 Y CB 2.115 40.557 38.460 -0.029 0.000 1.184 177 Y HN 0.601 8.888 8.280 0.012 0.000 0.469 178 A N 4.784 127.661 122.820 0.095 0.000 2.650 178 A HA 0.578 5.103 4.320 0.032 -0.186 0.320 178 A C -0.065 177.522 177.584 0.004 0.000 1.466 178 A CA -1.747 50.313 52.037 0.038 0.000 1.099 178 A CB -0.391 18.626 19.000 0.029 0.000 1.136 178 A HN 0.851 9.067 8.150 0.110 0.000 0.532 179 L N 5.124 126.297 121.223 -0.082 0.000 2.083 179 L HA -0.394 3.764 4.340 -0.302 0.000 0.209 179 L C 2.067 178.920 176.870 -0.027 0.000 1.083 179 L CA 3.213 57.933 54.840 -0.200 0.000 0.752 179 L CB -0.536 41.301 42.059 -0.369 0.000 0.899 179 L HN 0.059 8.246 8.230 -0.070 0.000 0.433 180 K N -4.977 115.390 120.400 -0.055 0.000 2.486 180 K HA -0.234 3.983 4.320 -0.172 0.000 0.194 180 K C 0.475 177.043 176.600 -0.052 0.000 1.033 180 K CA 1.723 57.955 56.287 -0.092 0.000 1.004 180 K CB -0.557 31.892 32.500 -0.083 0.000 0.798 180 K HN -0.224 7.997 8.250 -0.048 0.000 0.495 181 D N -2.075 118.323 120.400 -0.005 0.000 2.463 181 D HA 0.132 4.775 4.640 0.004 0.000 0.224 181 D C 0.232 176.565 176.300 0.055 0.000 1.174 181 D CA -0.648 53.362 54.000 0.017 0.000 0.829 181 D CB 0.026 40.837 40.800 0.017 0.000 0.993 181 D HN -0.698 7.511 8.370 0.002 0.162 0.497 182 G N -1.163 107.694 108.800 0.095 0.000 2.136 182 G HA2 -0.320 3.759 3.960 0.199 0.000 0.242 182 G HA3 -0.320 3.832 3.960 0.133 -0.113 0.242 182 G C 0.354 175.418 174.900 0.274 0.000 0.989 182 G CA 0.111 45.317 45.100 0.177 0.000 0.682 182 G HN -0.328 7.931 8.290 0.076 0.077 0.522 183 G N -3.138 105.804 108.800 0.237 0.000 2.159 183 G HA2 -0.356 3.665 3.960 0.100 0.000 0.256 183 G HA3 -0.356 3.789 3.960 0.308 0.000 0.256 183 G C -0.237 174.812 174.900 0.249 0.000 0.977 183 G CA -0.047 45.185 45.100 0.221 0.000 0.652 183 G HN 0.031 8.379 8.290 0.163 0.040 0.531 184 V N -2.457 117.554 119.914 0.161 0.000 2.999 184 V HA -0.032 4.162 4.120 0.124 0.000 0.307 184 V C -0.530 175.638 176.094 0.123 0.000 1.084 184 V CA 0.016 62.387 62.300 0.119 0.000 1.155 184 V CB 0.426 32.277 31.823 0.048 0.000 0.975 184 V HN -0.838 7.382 8.190 0.130 0.048 0.490 185 V N 5.366 125.323 119.914 0.073 0.000 2.455 185 V HA 0.086 4.312 4.120 -0.122 -0.179 0.273 185 V C 0.747 176.798 176.094 -0.073 0.000 1.045 185 V CA 0.591 62.860 62.300 -0.051 0.000 0.976 185 V CB -0.030 31.751 31.823 -0.070 0.000 0.993 185 V HN 0.259 8.492 8.190 0.072 0.000 0.475 186 V N 3.930 123.778 119.914 -0.111 0.000 3.605 186 V HA 0.411 4.490 4.120 -0.069 0.000 0.284 186 V C -0.659 175.360 176.094 -0.126 0.000 1.386 186 V CA -0.630 61.615 62.300 -0.091 0.000 1.053 186 V CB 1.037 32.824 31.823 -0.060 0.000 0.857 186 V HN 0.587 8.686 8.190 -0.151 0.000 0.436 187 S N -0.509 115.080 115.700 -0.186 0.000 2.567 187 S HA 0.117 4.495 4.470 -0.155 0.000 0.270 187 S C -1.573 172.880 174.600 -0.245 0.000 1.152 187 S CA -0.058 58.023 58.200 -0.198 0.000 0.835 187 S CB 1.630 64.694 63.200 -0.227 0.000 1.115 187 S HN -0.757 7.419 8.310 -0.223 0.000 0.459 188 G N 3.123 111.799 108.800 -0.207 0.000 2.760 188 G HA2 -0.248 3.598 3.960 -0.190 0.000 0.246 188 G HA3 -0.248 3.691 3.960 -0.263 -0.136 0.246 188 G C -2.164 172.601 174.900 -0.225 0.000 1.359 188 G CA -0.454 44.511 45.100 -0.224 0.000 0.861 188 G HN 0.102 8.290 8.290 -0.171 0.000 0.541 189 P HA 0.049 4.351 4.420 -0.195 0.000 0.257 189 P C -1.401 175.773 177.300 -0.209 0.000 1.241 189 P CA -0.321 62.587 63.100 -0.319 0.000 0.816 189 P CB 0.787 32.139 31.700 -0.581 0.000 1.150 190 A N 1.538 124.266 122.820 -0.153 0.000 2.546 190 A HA -0.042 4.426 4.320 0.248 0.000 0.243 190 A C -0.608 177.046 177.584 0.117 0.000 1.063 190 A CA -0.631 51.462 52.037 0.094 0.000 0.757 190 A CB -0.455 18.613 19.000 0.113 0.000 0.991 190 A HN -0.744 7.267 8.150 -0.232 0.000 0.503 191 P HA 0.046 4.529 4.420 0.104 0.000 0.261 191 P C -1.685 175.712 177.300 0.161 0.000 1.268 191 P CA 0.291 63.483 63.100 0.154 0.000 0.833 191 P CB 0.390 32.194 31.700 0.174 0.000 1.231 192 R N -2.672 117.961 120.500 0.222 0.000 2.712 192 R HA 0.356 4.765 4.340 0.115 0.000 0.272 192 R C -3.403 173.077 176.300 0.300 0.000 1.032 192 R CA -2.903 53.328 56.100 0.218 0.000 0.874 192 R CB 0.104 30.596 30.300 0.321 0.000 1.256 192 R HN -0.662 7.707 8.270 0.267 0.061 0.468 193 P HA -0.018 4.722 4.420 0.349 -0.110 0.272 193 P C -1.082 176.457 177.300 0.398 0.000 1.230 193 P CA -0.870 62.401 63.100 0.284 0.000 0.788 193 P CB 0.663 32.406 31.700 0.072 0.000 0.949 194 L N 2.058 123.395 121.223 0.190 0.000 2.462 194 L HA 0.159 4.426 4.340 -0.121 0.000 0.272 194 L C -1.956 175.079 176.870 0.275 0.000 1.166 194 L CA -1.706 53.099 54.840 -0.059 0.000 0.880 194 L CB -0.151 41.594 42.059 -0.523 0.000 1.142 194 L HN -0.076 8.298 8.230 0.239 0.000 0.473 195 P HA 0.052 4.757 4.420 0.276 -0.119 0.268 195 P C -0.928 176.509 177.300 0.228 0.000 1.205 195 P CA 0.304 63.562 63.100 0.264 0.000 0.771 195 P CB 0.524 32.388 31.700 0.274 0.000 0.858 196 I N 2.981 123.617 120.570 0.110 0.000 2.385 196 I HA 0.101 4.172 4.170 -0.375 -0.126 0.294 196 I C -0.493 175.573 176.117 -0.085 0.000 0.988 196 I CA -0.607 60.603 61.300 -0.149 0.000 1.265 196 I CB 2.122 40.016 38.000 -0.176 0.000 1.388 196 I HN 0.217 8.841 8.210 0.140 -0.331 0.480 197 V N 6.950 126.783 119.914 -0.134 0.000 2.385 197 V HA 0.084 4.348 4.120 0.009 -0.138 0.269 197 V C -0.294 175.729 176.094 -0.119 0.000 1.043 197 V CA -1.194 61.084 62.300 -0.036 0.000 0.906 197 V CB -0.095 31.784 31.823 0.094 0.000 0.995 197 V HN -0.186 7.733 8.190 -0.262 0.114 0.467 198 I N 8.140 128.631 120.570 -0.132 0.000 2.496 198 I HA -0.109 3.993 4.170 -0.113 0.000 0.285 198 I C -0.943 175.088 176.117 -0.142 0.000 1.080 198 I CA 0.433 61.656 61.300 -0.130 0.000 1.404 198 I CB 0.073 37.996 38.000 -0.127 0.000 1.403 198 I HN 0.263 8.279 8.210 -0.141 0.108 0.539 199 L N 5.089 126.235 121.223 -0.129 0.000 2.322 199 L HA 0.879 5.329 4.340 -0.135 -0.191 0.269 199 L C -0.655 176.170 176.870 -0.075 0.000 1.012 199 L CA -1.744 53.021 54.840 -0.125 0.000 0.815 199 L CB 2.669 44.633 42.059 -0.158 0.000 1.295 199 L HN 0.072 8.227 8.230 -0.125 0.000 0.438 200 D N 0.792 121.179 120.400 -0.023 0.000 2.863 200 D HA 0.253 4.898 4.640 0.008 0.000 0.245 200 D C -2.296 174.070 176.300 0.109 0.000 1.211 200 D CA -1.226 52.788 54.000 0.024 0.000 0.888 200 D CB 3.710 44.510 40.800 -0.000 0.000 1.483 200 D HN 0.398 8.759 8.370 -0.016 0.000 0.533 201 Y N 6.903 127.180 120.300 -0.037 0.000 2.328 201 Y HA 0.353 5.049 4.550 -0.020 -0.157 0.337 201 Y C -1.261 174.641 175.900 0.004 0.000 1.008 201 Y CA -0.899 57.183 58.100 -0.031 0.000 1.129 201 Y CB 1.735 40.143 38.460 -0.086 0.000 1.185 201 Y HN 0.248 8.625 8.280 0.162 0.000 0.476 202 D N 7.798 127.937 120.400 -0.436 0.000 2.365 202 D HA 0.128 4.614 4.640 -0.257 0.000 0.237 202 D C -0.394 175.464 176.300 -0.736 0.000 1.190 202 D CA -0.905 52.863 54.000 -0.387 0.000 0.867 202 D CB 0.660 41.383 40.800 -0.130 0.000 1.050 202 D HN 0.312 8.473 8.370 -0.348 0.000 0.491 203 S N 5.868 121.271 115.700 -0.495 0.000 2.474 203 S HA -0.111 4.085 4.470 -0.456 0.000 0.235 203 S C 1.098 175.578 174.600 -0.199 0.000 0.997 203 S CA 2.597 60.598 58.200 -0.331 0.000 0.949 203 S CB 0.010 63.194 63.200 -0.028 0.000 0.766 203 S HN 0.561 8.688 8.310 -0.304 0.000 0.517 204 S N 0.328 115.921 115.700 -0.178 0.000 2.406 204 S HA -0.062 4.361 4.470 -0.078 0.000 0.228 204 S C 0.912 175.447 174.600 -0.107 0.000 1.020 204 S CA 2.911 61.046 58.200 -0.108 0.000 0.965 204 S CB 0.486 63.636 63.200 -0.083 0.000 0.798 204 S HN -0.214 8.179 8.310 -0.196 -0.201 0.488 205 T N -4.195 110.264 114.554 -0.157 0.000 2.959 205 T HA 0.304 4.605 4.350 -0.082 0.000 0.254 205 T C 1.095 175.712 174.700 -0.138 0.000 1.003 205 T CA -0.445 61.584 62.100 -0.118 0.000 0.950 205 T CB 2.028 70.845 68.868 -0.085 0.000 1.090 205 T HN -0.671 7.527 8.240 -0.222 -0.091 0.503 206 G N 2.024 110.671 108.800 -0.256 0.000 2.179 206 G HA2 -0.377 3.516 3.960 -0.113 0.000 0.260 206 G HA3 -0.377 3.575 3.960 -0.014 0.000 0.260 206 G C -1.347 173.469 174.900 -0.141 0.000 0.977 206 G CA 0.265 45.279 45.100 -0.143 0.000 0.641 206 G HN 0.016 8.071 8.290 -0.391 0.000 0.533 207 D N 1.762 122.018 120.400 -0.240 0.000 2.304 207 D HA 0.207 4.688 4.640 -0.265 0.000 0.250 207 D C -1.108 175.031 176.300 -0.269 0.000 1.107 207 D CA 0.905 54.736 54.000 -0.282 0.000 0.885 207 D CB 0.810 41.404 40.800 -0.344 0.000 1.192 207 D HN -0.723 7.436 8.370 -0.248 0.062 0.436 208 I N 1.639 122.013 120.570 -0.328 0.000 2.321 208 I HA 0.097 4.364 4.170 -0.052 -0.128 0.291 208 I C -1.208 174.610 176.117 -0.498 0.000 0.998 208 I CA -0.395 60.758 61.300 -0.245 0.000 1.227 208 I CB 0.871 38.739 38.000 -0.220 0.000 1.368 208 I HN 0.353 8.337 8.210 -0.376 0.000 0.466 209 Y N 7.048 127.222 120.300 -0.210 0.000 2.409 209 Y HA 0.584 5.143 4.550 -0.286 -0.180 0.339 209 Y C -0.962 174.782 175.900 -0.261 0.000 1.033 209 Y CA -1.995 55.966 58.100 -0.232 0.000 1.094 209 Y CB 3.445 41.815 38.460 -0.150 0.000 1.210 209 Y HN 0.729 9.039 8.280 0.050 0.000 0.456 210 A N 1.729 124.434 122.820 -0.192 0.000 2.301 210 A HA 0.577 4.835 4.320 -0.347 -0.147 0.298 210 A C -0.932 176.480 177.584 -0.286 0.000 1.185 210 A CA -1.249 50.528 52.037 -0.433 0.000 0.830 210 A CB 1.384 19.822 19.000 -0.936 0.000 1.112 210 A HN 0.732 8.773 8.150 -0.181 0.000 0.508 211 V N -4.399 115.406 119.914 -0.181 0.000 3.411 211 V HA 0.794 5.190 4.120 0.181 -0.168 0.287 211 V C -0.888 175.193 176.094 -0.022 0.000 1.543 211 V CA -2.013 60.306 62.300 0.032 0.000 1.028 211 V CB 2.181 34.003 31.823 -0.002 0.000 0.840 211 V HN 0.446 8.493 8.190 -0.239 0.000 0.435 212 G N -1.115 107.549 108.800 -0.227 0.000 2.340 212 G HA2 0.140 3.014 3.960 -1.810 0.000 0.299 212 G HA3 0.140 3.642 3.960 -0.764 0.000 0.299 212 G C -3.100 171.422 174.900 -0.629 0.000 1.291 212 G CA 0.507 45.083 45.100 -0.872 0.000 0.841 212 G HN -0.893 7.278 8.290 -0.199 0.000 0.500 213 T N -2.735 111.330 114.554 -0.814 0.000 2.896 213 T HA 0.716 5.114 4.350 -0.191 -0.162 0.297 213 T C -0.349 174.205 174.700 -0.243 0.000 1.108 213 T CA -3.282 58.628 62.100 -0.318 0.000 1.004 213 T CB 3.554 72.308 68.868 -0.189 0.000 1.159 213 T HN -0.332 7.139 8.240 -1.283 0.000 0.499 214 N N -0.612 118.010 118.700 -0.130 0.000 2.412 214 N HA -0.079 4.635 4.740 -0.045 0.000 0.184 214 N C -1.770 173.605 175.510 -0.225 0.000 1.101 214 N CA -0.238 52.772 53.050 -0.067 0.000 0.881 214 N CB 0.772 39.316 38.487 0.094 0.000 0.969 214 N HN 0.081 8.408 8.380 -0.089 0.000 0.459 215 A N -2.539 120.036 122.820 -0.410 0.000 2.608 215 A HA 0.281 3.958 4.320 -1.071 0.000 0.292 215 A C -2.807 174.463 177.584 -0.523 0.000 1.066 215 A CA -2.326 49.272 52.037 -0.732 0.000 0.676 215 A CB 1.856 20.186 19.000 -1.116 0.000 1.277 215 A HN -1.038 6.868 8.150 -0.301 0.063 0.413 216 P HA 0.014 4.332 4.420 -0.391 -0.134 0.271 216 P C -0.946 176.320 177.300 -0.057 0.000 1.218 216 P CA -0.384 62.526 63.100 -0.316 0.000 0.780 216 P CB 0.625 32.182 31.700 -0.237 0.000 0.901 217 Y N 0.984 121.287 120.300 0.005 0.000 2.279 217 Y HA -0.294 4.340 4.550 0.141 0.000 0.350 217 Y C 1.018 177.044 175.900 0.210 0.000 1.288 217 Y CA -0.518 57.663 58.100 0.134 0.000 1.547 217 Y CB 0.859 39.427 38.460 0.180 0.000 1.381 217 Y HN -0.128 8.384 8.280 -0.259 -0.387 0.630 218 F N -0.789 119.376 119.950 0.359 0.000 2.635 218 F HA -0.208 4.454 4.527 0.225 0.000 0.379 218 F C -0.316 175.672 175.800 0.314 0.000 1.094 218 F CA 1.558 59.728 58.000 0.283 0.000 1.300 218 F CB 0.842 39.976 39.000 0.224 0.000 1.035 218 F HN 0.178 8.859 8.300 0.635 0.000 0.581 219 S N 8.335 123.675 115.700 -0.600 0.000 2.411 219 S HA 0.140 4.472 4.470 -0.230 0.000 0.294 219 S C -0.650 173.416 174.600 -0.891 0.000 1.115 219 S CA 0.084 57.981 58.200 -0.505 0.000 1.071 219 S CB 0.558 63.569 63.200 -0.314 0.000 0.967 219 S HN 0.155 8.100 8.310 -0.608 0.000 0.488 220 A N 6.265 128.898 122.820 -0.313 0.000 2.666 220 A HA 0.306 4.537 4.320 -0.148 0.000 0.221 220 A C 0.209 177.771 177.584 -0.037 0.000 2.097 220 A CA 0.559 52.560 52.037 -0.060 0.000 0.835 220 A CB 0.843 20.038 19.000 0.324 0.000 1.409 220 A HN 0.017 8.133 8.150 -0.057 0.000 0.531 221 G N -2.447 106.363 108.800 0.015 0.000 2.595 221 G HA2 -0.034 3.916 3.960 -0.016 0.000 0.213 221 G HA3 -0.034 3.920 3.960 -0.009 0.000 0.213 221 G C 0.100 174.974 174.900 -0.044 0.000 1.141 221 G CA 0.372 45.462 45.100 -0.015 0.000 0.806 221 G HN -0.299 8.295 8.290 0.066 -0.263 0.530 222 I N 2.309 122.844 120.570 -0.059 0.000 2.378 222 I HA 0.407 4.539 4.170 -0.062 0.000 0.291 222 I C -2.398 173.665 176.117 -0.090 0.000 0.992 222 I CA -4.421 56.835 61.300 -0.074 0.000 1.154 222 I CB 1.093 39.036 38.000 -0.094 0.000 1.315 222 I HN -0.621 7.781 8.210 -0.051 -0.222 0.448 223 P HA -0.012 4.351 4.420 -0.095 0.000 0.268 223 P C -1.391 175.857 177.300 -0.086 0.000 1.204 223 P CA -0.350 62.703 63.100 -0.080 0.000 0.768 223 P CB 0.175 31.842 31.700 -0.054 0.000 0.842 224 R N 3.082 123.529 120.500 -0.088 0.000 2.388 224 R HA 0.281 4.682 4.340 -0.111 -0.128 0.314 224 R C -0.300 175.958 176.300 -0.069 0.000 0.959 224 R CA -0.590 55.450 56.100 -0.100 0.000 0.851 224 R CB 0.682 30.910 30.300 -0.119 0.000 1.168 224 R HN 0.324 8.541 8.270 -0.087 0.000 0.472 225 T N -0.979 113.540 114.554 -0.058 0.000 3.040 225 T HA 0.171 4.554 4.350 0.054 0.000 0.266 225 T C -0.286 174.418 174.700 0.006 0.000 1.005 225 T CA -0.506 61.603 62.100 0.015 0.000 0.906 225 T CB 1.174 70.065 68.868 0.039 0.000 1.082 225 T HN 0.741 9.293 8.240 -0.075 -0.357 0.531 226 T N -2.241 112.226 114.554 -0.145 0.000 2.883 226 T HA 0.564 4.688 4.350 -0.377 0.000 0.296 226 T C -1.524 172.936 174.700 -0.400 0.000 1.117 226 T CA -3.648 58.290 62.100 -0.270 0.000 1.006 226 T CB 2.507 71.312 68.868 -0.105 0.000 1.191 226 T HN -0.987 7.292 8.240 -0.154 -0.131 0.508 227 P HA -0.197 3.986 4.420 -0.355 0.024 0.216 227 P C 1.265 178.505 177.300 -0.100 0.000 1.153 227 P CA 2.448 65.400 63.100 -0.247 0.000 0.858 227 P CB 0.255 31.886 31.700 -0.115 0.000 0.789 228 Q N -4.614 115.095 119.800 -0.152 0.000 2.364 228 Q HA -0.256 3.630 4.340 -0.757 0.000 0.207 228 Q C 1.978 177.754 176.000 -0.374 0.000 0.970 228 Q CA 3.411 58.980 55.803 -0.389 0.000 0.888 228 Q CB -1.287 27.294 28.738 -0.262 0.000 0.951 228 Q HN 0.454 8.645 8.270 -0.110 0.013 0.469 229 D N 0.721 120.958 120.400 -0.271 0.000 2.351 229 D HA -0.195 4.312 4.640 -0.221 0.000 0.216 229 D C 1.481 177.609 176.300 -0.287 0.000 0.968 229 D CA 2.419 56.274 54.000 -0.241 0.000 0.899 229 D CB -0.893 39.797 40.800 -0.183 0.000 0.907 229 D HN -0.455 7.633 8.370 -0.241 0.138 0.514 230 N N -0.639 117.841 118.700 -0.367 0.000 2.453 230 N HA -0.194 4.330 4.740 -0.359 0.000 0.183 230 N C 1.345 176.645 175.510 -0.351 0.000 1.041 230 N CA 1.758 54.565 53.050 -0.405 0.000 0.900 230 N CB -0.081 38.057 38.487 -0.581 0.000 0.961 230 N HN -0.209 7.788 8.380 -0.372 0.160 0.443 231 L N -2.253 118.727 121.223 -0.404 0.000 2.554 231 L HA -0.152 4.000 4.340 -0.312 0.000 0.226 231 L C -0.112 176.638 176.870 -0.199 0.000 1.137 231 L CA 0.190 54.832 54.840 -0.330 0.000 0.863 231 L CB -0.128 41.690 42.059 -0.401 0.000 0.985 231 L HN -0.493 7.301 8.230 -0.455 0.164 0.451 232 L N -2.061 119.052 121.223 -0.183 0.000 2.380 232 L HA -0.054 4.241 4.340 -0.075 0.000 0.273 232 L C -0.461 176.368 176.870 -0.069 0.000 1.138 232 L CA -0.518 54.256 54.840 -0.110 0.000 0.832 232 L CB 0.425 42.409 42.059 -0.125 0.000 1.124 232 L HN -0.898 7.032 8.230 -0.222 0.167 0.454 233 Y N 3.859 124.088 120.300 -0.118 0.000 2.393 233 Y HA -0.129 4.363 4.550 -0.097 0.000 0.338 233 Y C -1.477 174.381 175.900 -0.070 0.000 1.029 233 Y CA -0.266 57.782 58.100 -0.088 0.000 1.239 233 Y CB 0.710 39.136 38.460 -0.057 0.000 1.170 233 Y HN 0.117 8.468 8.280 0.119 0.000 0.515 234 D N 8.924 128.958 120.400 -0.610 0.000 2.471 234 D HA 0.390 4.800 4.640 -0.385 0.000 0.245 234 D C -1.514 174.418 176.300 -0.614 0.000 1.116 234 D CA -4.076 49.639 54.000 -0.476 0.000 0.853 234 D CB 1.661 42.326 40.800 -0.225 0.000 1.123 234 D HN 0.060 8.097 8.370 -0.554 0.000 0.540 235 P HA -0.056 4.096 4.420 -0.446 0.000 0.221 235 P C 0.438 177.662 177.300 -0.125 0.000 1.145 235 P CA 1.314 64.205 63.100 -0.349 0.000 0.795 235 P CB 0.301 31.924 31.700 -0.128 0.000 0.775 236 R N -4.814 115.652 120.500 -0.057 0.000 2.237 236 R HA -0.188 4.124 4.340 -0.047 0.000 0.219 236 R C 0.500 176.795 176.300 -0.008 0.000 1.080 236 R CA 1.706 57.803 56.100 -0.005 0.000 0.995 236 R CB 0.160 30.488 30.300 0.047 0.000 0.875 236 R HN -0.459 8.042 8.270 -0.071 -0.275 0.462 237 Y N 0.016 120.250 120.300 -0.110 0.000 2.620 237 Y HA -0.080 4.433 4.550 -0.061 0.000 0.352 237 Y C -0.354 175.471 175.900 -0.125 0.000 1.140 237 Y CA 0.134 58.213 58.100 -0.035 0.000 1.529 237 Y CB -1.223 37.316 38.460 0.132 0.000 1.321 237 Y HN -0.305 7.967 8.280 0.231 0.146 0.501 238 S N 3.809 119.324 115.700 -0.309 0.000 2.593 238 S HA -0.002 4.452 4.470 -0.027 0.000 0.236 238 S C -0.076 174.423 174.600 -0.168 0.000 0.991 238 S CA -1.154 56.947 58.200 -0.166 0.000 0.963 238 S CB 0.997 64.103 63.200 -0.157 0.000 0.865 238 S HN -0.495 7.424 8.310 -0.650 0.000 0.488 239 Y N 1.793 122.076 120.300 -0.029 0.000 2.712 239 Y HA -0.254 4.254 4.550 -0.071 0.000 0.333 239 Y C 0.549 176.435 175.900 -0.023 0.000 1.225 239 Y CA 0.727 58.795 58.100 -0.054 0.000 1.499 239 Y CB -0.226 38.182 38.460 -0.086 0.000 1.288 239 Y HN -0.598 7.476 8.280 -0.343 0.000 0.575 240 S N 0.079 115.843 115.700 0.107 0.000 2.652 240 S HA 0.222 4.728 4.470 0.060 0.000 0.270 240 S C -0.826 173.775 174.600 0.001 0.000 1.243 240 S CA -0.919 57.306 58.200 0.043 0.000 0.999 240 S CB 1.294 64.493 63.200 -0.003 0.000 0.973 240 S HN 0.200 8.563 8.310 0.087 0.000 0.544 241 V N 2.611 122.516 119.914 -0.015 0.000 2.334 241 V HA 0.141 4.220 4.120 -0.070 0.000 0.281 241 V C -2.017 174.000 176.094 -0.128 0.000 1.016 241 V CA -2.430 59.848 62.300 -0.036 0.000 0.832 241 V CB 0.390 32.258 31.823 0.075 0.000 0.999 241 V HN 0.003 8.195 8.190 0.004 0.000 0.439 242 P HA -0.032 4.233 4.420 -0.258 0.000 0.267 242 P C -1.868 175.352 177.300 -0.134 0.000 1.200 242 P CA -0.320 62.570 63.100 -0.350 0.000 0.772 242 P CB 0.596 31.814 31.700 -0.804 0.000 0.855 243 N N 2.023 120.675 118.700 -0.079 0.000 2.518 243 N HA -0.188 4.539 4.740 -0.022 0.000 0.266 243 N C -1.197 174.307 175.510 -0.009 0.000 1.196 243 N CA 0.195 53.227 53.050 -0.029 0.000 0.947 243 N CB 0.719 39.197 38.487 -0.016 0.000 1.098 243 N HN 0.044 8.370 8.380 -0.091 0.000 0.450 244 N N 1.335 120.012 118.700 -0.038 0.000 2.456 244 N HA 0.308 5.061 4.740 0.021 0.000 0.288 244 N C -1.938 173.578 175.510 0.010 0.000 1.059 244 N CA -1.996 51.025 53.050 -0.048 0.000 0.946 244 N CB 0.527 38.818 38.487 -0.326 0.000 1.150 244 N HN -0.031 8.313 8.380 -0.060 0.000 0.479 245 P HA 0.175 4.730 4.420 0.087 -0.083 0.278 245 P C -1.341 175.999 177.300 0.067 0.000 1.238 245 P CA -0.034 63.109 63.100 0.072 0.000 0.794 245 P CB 1.292 33.038 31.700 0.078 0.000 0.955 246 S N -0.582 115.181 115.700 0.106 0.000 2.578 246 S HA 0.058 4.553 4.470 0.042 0.000 0.228 246 S C 0.275 174.923 174.600 0.080 0.000 1.022 246 S CA -0.085 58.167 58.200 0.087 0.000 0.967 246 S CB 1.111 64.392 63.200 0.135 0.000 0.914 246 S HN 0.313 8.707 8.310 0.140 0.000 0.515 247 c N 3.416 122.068 118.600 0.086 0.000 2.676 247 c HA 0.282 5.148 4.570 0.070 -0.253 0.416 247 c C 0.640 174.751 174.090 0.035 0.000 1.299 247 c CA 0.525 56.891 56.329 0.062 0.000 2.048 247 c CB -0.147 42.395 42.510 0.053 0.000 2.713 247 c HN -0.481 7.804 8.230 0.092 0.000 0.624 248 S N 2.708 118.422 115.700 0.024 0.000 2.588 248 S HA 0.193 4.671 4.470 0.013 0.000 0.275 248 S C -2.318 172.287 174.600 0.009 0.000 1.130 248 S CA -1.073 57.135 58.200 0.012 0.000 0.855 248 S CB 2.422 65.624 63.200 0.003 0.000 1.116 248 S HN 0.707 9.032 8.310 0.025 0.000 0.472 249 N N 2.192 120.896 118.700 0.007 0.000 2.444 249 N HA 0.439 5.339 4.740 0.009 -0.155 0.271 249 N C 0.271 175.781 175.510 0.000 0.000 1.069 249 N CA 0.292 53.346 53.050 0.006 0.000 0.965 249 N CB 0.896 39.388 38.487 0.008 0.000 1.092 249 N HN 0.298 8.682 8.380 0.006 0.000 0.476 250 G N 0.000 108.800 108.800 -0.000 0.000 5.446 250 G HA2 0.000 nan 3.960 nan 0.000 0.244 250 G HA3 0.000 3.949 3.960 -0.018 0.000 0.244 250 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 250 G HN 0.000 8.293 8.290 0.006 0.000 0.925