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 1d8v_1_A DATA FIRST_RESID 1 DATA SEQUENCE DVNFDLSTAT AKTYTKFIED FRATLPFSHK VYDIPLLYST ISDSRRFILL DATA SEQUENCE NLTSYAYETI SVAIDVTNVY VVAYRTRDVS YFFKESPPEA YNILFKGTRK DATA SEQUENCE ITLPYTGNYE NLQTAAHKIR ENIDLGLPAL SSAITTLFYY NAQSAPSALL DATA SEQUENCE VLIQTTAEAA RFKYIERHVA KYVATNFKPN LAIISLENQW SALSKQIFLA DATA SEQUENCE QNQGGKFRNP VDLIKPTGER FQVTNVDSDV VKGNIKLLLN SRASTADENF DATA SEQUENCE ITTMTLLGES VVN 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 1 D HA 0.000 4.626 4.640 -0.023 0.000 0.175 1 D C 0.000 176.283 176.300 -0.028 0.000 2.045 1 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 1 D CB 0.000 40.806 40.800 0.011 0.000 0.688 2 V N 0.247 120.172 119.914 0.018 0.000 2.914 2 V HA 0.242 4.372 4.120 0.015 0.000 0.314 2 V C -2.282 173.950 176.094 0.230 0.000 1.084 2 V CA -2.588 59.744 62.300 0.053 0.000 0.963 2 V CB 3.965 35.733 31.823 -0.091 0.000 1.025 2 V HN 0.167 8.391 8.190 0.057 0.000 0.432 3 N N 2.206 121.083 118.700 0.295 0.000 2.258 3 N HA 0.415 5.540 4.740 0.306 -0.202 0.299 3 N C -1.425 174.373 175.510 0.480 0.000 1.047 3 N CA -0.572 52.671 53.050 0.321 0.000 0.814 3 N CB 3.390 41.981 38.487 0.175 0.000 1.413 3 N HN 0.135 8.661 8.380 0.244 0.000 0.478 4 F N 3.730 123.750 119.950 0.116 0.000 2.562 4 F HA 0.153 4.672 4.527 -0.013 0.000 0.319 4 F C -2.553 173.166 175.800 -0.135 0.000 1.154 4 F CA -1.227 56.713 58.000 -0.100 0.000 0.931 4 F CB 4.025 42.659 39.000 -0.610 0.000 1.198 4 F HN 0.745 9.221 8.300 0.294 0.000 0.444 5 D N 8.031 128.057 120.400 -0.624 0.000 2.329 5 D HA 0.097 4.522 4.640 -0.360 0.000 0.232 5 D C -1.279 174.547 176.300 -0.792 0.000 1.088 5 D CA -1.316 52.362 54.000 -0.537 0.000 0.835 5 D CB 1.600 42.177 40.800 -0.371 0.000 1.078 5 D HN 0.214 8.199 8.370 -0.641 0.000 0.495 6 L N 4.779 125.650 121.223 -0.586 0.000 2.093 6 L HA -0.092 3.931 4.340 -0.528 0.000 0.208 6 L C 1.982 178.446 176.870 -0.677 0.000 1.085 6 L CA 2.159 56.710 54.840 -0.481 0.000 0.755 6 L CB 0.556 42.504 42.059 -0.184 0.000 0.904 6 L HN 0.016 7.998 8.230 -0.412 0.000 0.435 7 S N 0.141 115.293 115.700 -0.913 0.000 2.383 7 S HA -0.223 2.306 4.470 -3.234 0.000 0.229 7 S C 0.928 174.945 174.600 -0.972 0.000 1.030 7 S CA 3.089 60.353 58.200 -1.559 0.000 1.002 7 S CB -0.097 62.374 63.200 -1.215 0.000 0.829 7 S HN 0.305 8.366 8.310 -0.688 -0.164 0.467 8 T N -4.125 110.067 114.554 -0.603 0.000 3.215 8 T HA 0.196 4.382 4.350 -0.273 0.000 0.271 8 T C -1.136 173.378 174.700 -0.310 0.000 1.012 8 T CA -1.992 59.898 62.100 -0.351 0.000 0.899 8 T CB 0.724 69.439 68.868 -0.255 0.000 1.089 8 T HN -0.663 7.416 8.240 -0.607 -0.204 0.552 9 A N 2.966 125.552 122.820 -0.391 0.000 2.511 9 A HA -0.067 3.954 4.320 -0.507 -0.005 0.242 9 A C -0.801 176.767 177.584 -0.026 0.000 1.069 9 A CA 1.108 52.957 52.037 -0.314 0.000 0.763 9 A CB 0.070 18.919 19.000 -0.251 0.000 1.001 9 A HN -0.332 7.313 8.150 -0.475 0.219 0.498 10 T N -0.674 113.934 114.554 0.091 0.000 2.889 10 T HA 0.129 4.548 4.350 0.115 0.000 0.315 10 T C -0.021 174.803 174.700 0.207 0.000 1.291 10 T CA -1.922 60.254 62.100 0.126 0.000 1.028 10 T CB 2.790 71.701 68.868 0.072 0.000 1.235 10 T HN -0.516 7.807 8.240 0.138 0.000 0.491 11 A N 4.015 126.924 122.820 0.149 0.000 1.869 11 A HA -0.422 3.989 4.320 0.152 0.000 0.218 11 A C 1.963 179.647 177.584 0.166 0.000 1.203 11 A CA 3.981 56.098 52.037 0.135 0.000 0.638 11 A CB -0.648 18.380 19.000 0.047 0.000 0.831 11 A HN 0.742 8.955 8.150 0.105 0.000 0.450 12 K N -3.454 117.020 120.400 0.124 0.000 2.063 12 K HA -0.283 4.103 4.320 0.110 0.000 0.208 12 K C 1.832 178.535 176.600 0.172 0.000 1.048 12 K CA 3.336 59.696 56.287 0.121 0.000 0.928 12 K CB -0.475 32.075 32.500 0.082 0.000 0.713 12 K HN 0.116 8.424 8.250 0.096 0.000 0.442 13 T N 1.813 116.483 114.554 0.194 0.000 2.821 13 T HA -0.302 4.169 4.350 0.201 0.000 0.267 13 T C 1.941 176.881 174.700 0.401 0.000 1.046 13 T CA 4.105 66.351 62.100 0.245 0.000 1.139 13 T CB -0.673 68.298 68.868 0.171 0.000 0.871 13 T HN -0.680 7.573 8.240 0.166 0.087 0.454 14 Y N 2.487 122.975 120.300 0.313 0.000 2.207 14 Y HA -0.398 4.287 4.550 0.226 0.000 0.287 14 Y C 1.554 177.541 175.900 0.146 0.000 1.156 14 Y CA 3.824 62.060 58.100 0.227 0.000 1.182 14 Y CB -0.092 38.449 38.460 0.134 0.000 0.979 14 Y HN 0.832 9.192 8.280 0.464 0.198 0.521 15 T N 2.097 116.877 114.554 0.377 0.000 2.708 15 T HA -0.362 4.439 4.350 0.261 -0.294 0.266 15 T C 1.902 176.721 174.700 0.200 0.000 1.037 15 T CA 4.981 67.230 62.100 0.248 0.000 1.146 15 T CB -0.174 68.788 68.868 0.158 0.000 0.865 15 T HN -0.308 8.048 8.240 0.339 0.088 0.435 16 K N 2.219 122.738 120.400 0.197 0.000 2.057 16 K HA -0.287 4.098 4.320 0.109 0.000 0.207 16 K C 1.942 178.638 176.600 0.161 0.000 1.049 16 K CA 3.252 59.632 56.287 0.155 0.000 0.931 16 K CB -0.255 32.339 32.500 0.157 0.000 0.714 16 K HN -0.585 7.723 8.250 0.215 0.071 0.440 17 F N 0.682 120.662 119.950 0.050 0.000 2.102 17 F HA -0.359 4.203 4.527 0.058 0.000 0.298 17 F C 1.776 177.568 175.800 -0.012 0.000 1.105 17 F CA 3.617 61.600 58.000 -0.028 0.000 1.239 17 F CB 0.251 39.048 39.000 -0.338 0.000 0.991 17 F HN -0.265 8.238 8.300 0.349 0.007 0.474 18 I N -1.366 119.264 120.570 0.100 0.000 2.252 18 I HA -0.577 3.538 4.170 -0.092 0.000 0.245 18 I C 2.050 178.183 176.117 0.026 0.000 1.102 18 I CA 3.302 64.621 61.300 0.031 0.000 1.385 18 I CB -1.271 36.813 38.000 0.139 0.000 1.064 18 I HN -0.298 8.057 8.210 0.243 0.000 0.414 19 E N -0.013 120.211 120.200 0.039 0.000 2.072 19 E HA -0.424 3.942 4.350 0.026 0.000 0.191 19 E C 2.121 178.717 176.600 -0.007 0.000 0.985 19 E CA 3.589 60.004 56.400 0.024 0.000 0.801 19 E CB -0.182 29.537 29.700 0.032 0.000 0.750 19 E HN -0.193 8.209 8.360 0.070 0.000 0.452 20 D N -0.741 119.637 120.400 -0.037 0.000 2.144 20 D HA -0.216 4.394 4.640 -0.051 0.000 0.200 20 D C 1.995 178.215 176.300 -0.132 0.000 0.978 20 D CA 2.562 56.517 54.000 -0.075 0.000 0.833 20 D CB -0.032 40.723 40.800 -0.074 0.000 0.961 20 D HN -0.104 8.251 8.370 -0.026 0.000 0.470 21 F N 0.945 120.669 119.950 -0.377 0.000 2.095 21 F HA -0.322 3.961 4.527 -0.407 0.000 0.298 21 F C 1.111 176.797 175.800 -0.190 0.000 1.104 21 F CA 3.429 61.184 58.000 -0.407 0.000 1.232 21 F CB 0.258 38.885 39.000 -0.621 0.000 0.987 21 F HN -0.047 7.957 8.300 -0.169 0.194 0.475 22 R N -3.511 117.074 120.500 0.141 0.000 2.152 22 R HA -0.399 4.019 4.340 0.129 0.000 0.232 22 R C 1.057 177.341 176.300 -0.027 0.000 1.117 22 R CA 2.498 58.648 56.100 0.084 0.000 0.981 22 R CB -0.458 29.895 30.300 0.088 0.000 0.870 22 R HN -0.089 8.284 8.270 0.172 0.000 0.451 23 A N -2.571 120.216 122.820 -0.055 0.000 2.021 23 A HA 0.025 4.337 4.320 -0.014 0.000 0.216 23 A C 0.810 178.351 177.584 -0.073 0.000 1.163 23 A CA 1.510 53.520 52.037 -0.045 0.000 0.676 23 A CB 0.340 19.316 19.000 -0.041 0.000 0.818 23 A HN -0.630 7.345 8.150 -0.054 0.142 0.453 24 T N -1.268 113.183 114.554 -0.171 0.000 2.674 24 T HA -0.209 4.066 4.350 -0.126 0.000 0.265 24 T C 0.487 175.093 174.700 -0.157 0.000 1.039 24 T CA 4.117 66.099 62.100 -0.197 0.000 1.150 24 T CB 0.406 69.065 68.868 -0.348 0.000 0.864 24 T HN -0.216 7.749 8.240 -0.223 0.141 0.427 25 L N -1.766 119.338 121.223 -0.199 0.000 2.418 25 L HA 0.371 4.656 4.340 -0.091 0.000 0.265 25 L C -1.935 174.938 176.870 0.005 0.000 1.143 25 L CA -2.951 51.827 54.840 -0.102 0.000 0.809 25 L CB -2.401 39.589 42.059 -0.114 0.000 1.124 25 L HN -0.951 7.098 8.230 -0.301 0.000 0.456 26 P HA -0.052 4.384 4.420 0.026 0.000 0.286 26 P C -1.590 175.736 177.300 0.043 0.000 1.278 26 P CA 0.272 63.369 63.100 -0.006 0.000 0.785 26 P CB 0.673 32.347 31.700 -0.043 0.000 1.269 27 F N -7.601 112.304 119.950 -0.076 0.000 2.607 27 F HA 0.699 5.346 4.527 -0.204 -0.243 0.322 27 F C -0.038 175.571 175.800 -0.317 0.000 1.176 27 F CA -2.540 55.354 58.000 -0.176 0.000 0.977 27 F CB 1.971 40.914 39.000 -0.095 0.000 1.242 27 F HN -0.347 7.403 8.300 -0.917 0.000 0.465 28 S N 3.084 118.410 115.700 -0.623 0.000 2.371 28 S HA -0.168 3.823 4.470 -0.798 0.000 0.224 28 S C -0.241 174.404 174.600 0.075 0.000 1.029 28 S CA 2.108 59.877 58.200 -0.717 0.000 0.978 28 S CB 0.811 63.461 63.200 -0.917 0.000 0.833 28 S HN 0.419 8.388 8.310 -0.568 0.000 0.466 29 H N -2.162 116.959 119.070 0.086 0.000 2.917 29 H HA 0.033 4.727 4.556 0.231 0.000 0.269 29 H C -2.114 173.306 175.328 0.153 0.000 1.488 29 H CA -0.224 55.931 56.048 0.179 0.000 1.173 29 H CB 2.543 32.397 29.762 0.153 0.000 1.868 29 H HN -0.705 7.675 8.280 0.165 0.000 0.600 30 K N -0.338 119.817 120.400 -0.408 0.000 2.450 30 K HA 0.369 4.795 4.320 -0.114 -0.175 0.257 30 K C -1.159 175.370 176.600 -0.118 0.000 0.953 30 K CA -1.375 54.772 56.287 -0.233 0.000 0.844 30 K CB 1.097 33.398 32.500 -0.331 0.000 1.103 30 K HN 0.014 7.411 8.250 -1.421 0.000 0.429 31 V N 4.903 124.774 119.914 -0.072 0.000 2.370 31 V HA 0.112 4.179 4.120 -0.088 0.000 0.283 31 V C -0.604 175.496 176.094 0.010 0.000 1.023 31 V CA -1.607 60.629 62.300 -0.107 0.000 0.857 31 V CB 1.382 32.970 31.823 -0.391 0.000 0.985 31 V HN -0.162 7.990 8.190 -0.062 0.000 0.443 32 Y N 5.459 125.691 120.300 -0.114 0.000 3.305 32 Y HA -0.371 4.139 4.550 -0.067 0.000 0.212 32 Y C -0.942 174.902 175.900 -0.092 0.000 1.248 32 Y CA 0.652 58.699 58.100 -0.088 0.000 1.359 32 Y CB -2.112 36.297 38.460 -0.086 0.000 1.407 32 Y HN 0.701 8.827 8.280 -0.256 0.000 0.572 33 D N -2.613 117.768 120.400 -0.032 0.000 2.699 33 D HA -0.311 4.262 4.640 -0.112 0.000 0.239 33 D C -1.677 174.590 176.300 -0.055 0.000 1.136 33 D CA 1.335 55.298 54.000 -0.063 0.000 0.668 33 D CB -0.884 39.892 40.800 -0.040 0.000 1.060 33 D HN 0.281 8.589 8.370 -0.091 0.007 0.429 34 I N -9.204 111.332 120.570 -0.057 0.000 2.802 34 I HA 0.702 4.833 4.170 -0.063 0.000 0.298 34 I C -2.654 173.431 176.117 -0.054 0.000 1.176 34 I CA -3.355 57.913 61.300 -0.054 0.000 1.025 34 I CB 2.478 40.456 38.000 -0.036 0.000 1.243 34 I HN -0.954 7.216 8.210 -0.062 0.002 0.424 35 P HA 0.058 4.482 4.420 0.008 0.000 0.272 35 P C -1.429 175.913 177.300 0.071 0.000 1.248 35 P CA -0.030 63.079 63.100 0.016 0.000 0.799 35 P CB 0.340 32.057 31.700 0.030 0.000 0.997 36 L N -6.696 114.595 121.223 0.114 0.000 2.866 36 L HA 0.410 4.967 4.340 0.180 -0.108 0.262 36 L C -2.181 174.724 176.870 0.059 0.000 0.986 36 L CA 0.092 55.024 54.840 0.153 0.000 0.925 36 L CB 3.608 45.817 42.059 0.251 0.000 1.484 36 L HN -0.163 8.146 8.230 0.130 0.000 0.414 37 L N -0.396 120.880 121.223 0.088 0.000 2.346 37 L HA 0.568 4.761 4.340 -0.245 0.000 0.276 37 L C -0.150 176.742 176.870 0.037 0.000 1.006 37 L CA -1.544 53.291 54.840 -0.008 0.000 0.817 37 L CB 1.611 43.762 42.059 0.153 0.000 1.272 37 L HN -0.207 8.138 8.230 0.191 0.000 0.421 38 Y N 1.400 121.742 120.300 0.069 0.000 2.262 38 Y HA -0.143 4.415 4.550 0.013 0.000 0.402 38 Y C 1.090 176.991 175.900 0.001 0.000 1.320 38 Y CA -1.381 56.732 58.100 0.021 0.000 1.895 38 Y CB -0.565 37.895 38.460 0.000 0.000 1.662 38 Y HN 0.260 8.136 8.280 -0.674 0.000 0.671 39 S N -0.463 115.353 115.700 0.192 0.000 2.368 39 S HA -0.295 4.210 4.470 0.058 0.000 0.225 39 S C -0.340 174.305 174.600 0.074 0.000 1.030 39 S CA 2.844 61.090 58.200 0.077 0.000 0.999 39 S CB 0.163 63.371 63.200 0.014 0.000 0.844 39 S HN 0.298 8.721 8.310 0.189 0.000 0.459 40 T N -2.297 112.275 114.554 0.031 0.000 2.982 40 T HA 0.219 4.583 4.350 0.024 0.000 0.321 40 T C -1.493 173.115 174.700 -0.152 0.000 1.229 40 T CA -0.529 61.554 62.100 -0.029 0.000 1.044 40 T CB 2.386 71.214 68.868 -0.067 0.000 1.184 40 T HN -0.677 7.561 8.240 -0.002 0.000 0.477 41 I N 0.344 120.853 120.570 -0.102 0.000 3.619 41 I HA 0.304 4.204 4.170 -0.451 0.000 0.284 41 I C -1.460 174.555 176.117 -0.170 0.000 1.240 41 I CA -2.599 58.591 61.300 -0.184 0.000 1.016 41 I CB 2.343 40.364 38.000 0.036 0.000 1.374 41 I HN 0.012 8.197 8.210 -0.043 0.000 0.553 42 S N 0.012 115.624 115.700 -0.147 0.000 2.552 42 S HA -0.090 4.304 4.470 -0.126 0.000 0.289 42 S C 0.685 175.218 174.600 -0.111 0.000 1.304 42 S CA 0.135 58.264 58.200 -0.118 0.000 1.063 42 S CB 0.977 64.125 63.200 -0.088 0.000 0.848 42 S HN 0.106 8.335 8.310 -0.136 0.000 0.499 43 D N 7.459 127.795 120.400 -0.106 0.000 2.117 43 D HA -0.238 4.276 4.640 -0.209 0.000 0.197 43 D C 1.960 178.227 176.300 -0.054 0.000 0.987 43 D CA 3.283 57.212 54.000 -0.119 0.000 0.829 43 D CB -0.212 40.543 40.800 -0.076 0.000 0.961 43 D HN 0.539 8.852 8.370 -0.095 0.000 0.460 44 S N -1.514 114.171 115.700 -0.026 0.000 2.399 44 S HA -0.276 4.218 4.470 0.040 0.000 0.231 44 S C 0.590 175.196 174.600 0.010 0.000 1.022 44 S CA 2.380 60.585 58.200 0.008 0.000 0.983 44 S CB 0.245 63.440 63.200 -0.007 0.000 0.803 44 S HN -0.493 7.793 8.310 -0.039 0.000 0.480 45 R N -2.304 118.183 120.500 -0.022 0.000 2.282 45 R HA 0.003 4.342 4.340 -0.003 0.000 0.195 45 R C 0.937 177.215 176.300 -0.037 0.000 0.909 45 R CA 0.953 57.041 56.100 -0.020 0.000 1.039 45 R CB 0.117 30.400 30.300 -0.029 0.000 1.015 45 R HN -0.519 7.600 8.270 -0.043 0.126 0.513 46 R N -1.635 118.809 120.500 -0.094 0.000 2.081 46 R HA -0.239 4.030 4.340 -0.118 0.000 0.235 46 R C 0.368 176.555 176.300 -0.190 0.000 1.131 46 R CA 3.093 59.080 56.100 -0.189 0.000 0.960 46 R CB 0.440 30.529 30.300 -0.351 0.000 0.856 46 R HN 0.056 8.043 8.270 -0.100 0.223 0.436 47 F N -3.575 116.352 119.950 -0.038 0.000 2.404 47 F HA 0.319 4.993 4.527 -0.048 -0.176 0.358 47 F C -0.003 175.771 175.800 -0.043 0.000 1.120 47 F CA -0.434 57.538 58.000 -0.047 0.000 1.144 47 F CB 0.056 39.019 39.000 -0.062 0.000 1.133 47 F HN -0.955 7.336 8.300 -0.002 0.007 0.495 48 I N -0.534 120.139 120.570 0.172 0.000 2.603 48 I HA 0.500 4.705 4.170 0.059 0.000 0.300 48 I C -2.111 174.057 176.117 0.085 0.000 1.017 48 I CA -1.689 59.653 61.300 0.070 0.000 1.098 48 I CB 3.577 41.560 38.000 -0.029 0.000 1.279 48 I HN 0.023 8.351 8.210 0.198 0.000 0.437 49 L N 1.525 122.785 121.223 0.062 0.000 2.334 49 L HA 0.883 5.511 4.340 0.089 -0.234 0.273 49 L C -0.711 176.222 176.870 0.105 0.000 1.013 49 L CA -1.863 53.024 54.840 0.078 0.000 0.816 49 L CB 2.552 44.644 42.059 0.054 0.000 1.278 49 L HN 0.112 8.695 8.230 0.042 -0.327 0.431 50 L N -0.733 120.576 121.223 0.143 0.000 2.333 50 L HA 0.725 5.436 4.340 0.210 -0.245 0.280 50 L C -0.477 176.490 176.870 0.161 0.000 1.004 50 L CA -1.864 53.099 54.840 0.205 0.000 0.820 50 L CB 1.287 43.529 42.059 0.305 0.000 1.247 50 L HN 0.716 8.910 8.230 0.130 0.114 0.416 51 N N 4.622 123.418 118.700 0.160 0.000 2.415 51 N HA 0.309 5.257 4.740 0.096 -0.150 0.246 51 N C -1.136 174.445 175.510 0.118 0.000 1.078 51 N CA -0.454 52.667 53.050 0.118 0.000 0.942 51 N CB 0.483 39.030 38.487 0.099 0.000 1.140 51 N HN 0.186 8.864 8.380 0.181 -0.189 0.501 52 L N 5.358 126.633 121.223 0.086 0.000 2.325 52 L HA 0.843 5.461 4.340 0.061 -0.242 0.278 52 L C -0.484 176.403 176.870 0.029 0.000 1.023 52 L CA -1.151 53.722 54.840 0.055 0.000 0.811 52 L CB 2.646 44.729 42.059 0.041 0.000 1.249 52 L HN 0.401 8.676 8.230 0.076 0.000 0.431 53 T N 5.461 119.994 114.554 -0.035 0.000 2.792 53 T HA 0.760 5.339 4.350 0.039 -0.206 0.280 53 T C -0.323 174.335 174.700 -0.071 0.000 0.990 53 T CA -0.716 61.359 62.100 -0.041 0.000 0.960 53 T CB 1.526 70.327 68.868 -0.111 0.000 0.939 53 T HN 0.129 8.314 8.240 -0.091 0.000 0.439 54 S N 6.140 121.856 115.700 0.028 0.000 2.584 54 S HA 0.014 4.517 4.470 0.055 0.000 0.270 54 S C 0.296 174.865 174.600 -0.052 0.000 1.346 54 S CA -0.037 58.196 58.200 0.054 0.000 1.018 54 S CB 1.470 64.777 63.200 0.179 0.000 0.899 54 S HN 0.709 8.973 8.310 0.106 0.110 0.542 55 Y N 0.930 121.178 120.300 -0.086 0.000 2.651 55 Y HA -0.343 4.048 4.550 -0.266 0.000 0.296 55 Y C -0.993 174.812 175.900 -0.159 0.000 1.150 55 Y CA 2.486 60.488 58.100 -0.164 0.000 1.348 55 Y CB -0.508 37.900 38.460 -0.085 0.000 0.983 55 Y HN 0.702 9.094 8.280 0.187 0.000 0.555 56 A N -4.106 118.776 122.820 0.103 0.000 2.532 56 A HA 0.012 4.500 4.320 0.279 0.000 0.273 56 A C -0.914 176.815 177.584 0.243 0.000 1.342 56 A CA -0.425 51.725 52.037 0.187 0.000 0.929 56 A CB 0.145 19.234 19.000 0.148 0.000 1.051 56 A HN -0.694 7.423 8.150 0.105 0.097 0.521 57 Y N -6.082 114.224 120.300 0.009 0.000 4.324 57 Y HA -0.525 3.999 4.550 -0.043 0.000 0.224 57 Y C -1.341 174.557 175.900 -0.004 0.000 1.113 57 Y CA 1.440 59.529 58.100 -0.017 0.000 1.887 57 Y CB -3.043 35.407 38.460 -0.015 0.000 1.602 57 Y HN -0.367 7.593 8.280 -0.360 0.104 0.654 58 E N -1.577 118.686 120.200 0.104 0.000 2.277 58 E HA 0.180 4.564 4.350 0.056 0.000 0.274 58 E C -1.167 175.539 176.600 0.178 0.000 1.022 58 E CA -0.649 55.802 56.400 0.085 0.000 0.853 58 E CB 2.698 32.366 29.700 -0.052 0.000 1.086 58 E HN -0.795 7.563 8.360 0.079 0.049 0.397 59 T N 5.255 119.939 114.554 0.216 0.000 2.807 59 T HA 0.825 5.459 4.350 0.154 -0.191 0.279 59 T C -0.638 174.215 174.700 0.255 0.000 0.993 59 T CA -0.552 61.665 62.100 0.195 0.000 0.970 59 T CB 1.495 70.437 68.868 0.124 0.000 0.950 59 T HN 0.211 8.565 8.240 0.191 0.000 0.441 60 I N 0.127 120.785 120.570 0.147 0.000 3.108 60 I HA 0.471 4.679 4.170 0.063 0.000 0.312 60 I C -2.715 173.422 176.117 0.033 0.000 1.095 60 I CA -2.080 59.241 61.300 0.035 0.000 1.000 60 I CB 3.501 41.403 38.000 -0.165 0.000 1.229 60 I HN 0.920 9.199 8.210 0.116 0.000 0.454 61 S N 0.891 116.602 115.700 0.019 0.000 2.503 61 S HA 0.718 5.412 4.470 0.061 -0.187 0.301 61 S C -1.340 173.289 174.600 0.048 0.000 1.087 61 S CA -0.997 57.230 58.200 0.044 0.000 1.042 61 S CB 2.676 65.904 63.200 0.046 0.000 1.043 61 S HN -0.098 8.208 8.310 -0.006 0.000 0.489 62 V N 3.419 123.376 119.914 0.072 0.000 2.540 62 V HA 0.152 4.340 4.120 0.114 0.000 0.302 62 V C -2.280 173.872 176.094 0.097 0.000 1.035 62 V CA -1.524 60.831 62.300 0.092 0.000 0.873 62 V CB 2.929 34.802 31.823 0.083 0.000 0.992 62 V HN 0.401 8.642 8.190 0.086 0.000 0.428 63 A N 8.394 131.260 122.820 0.077 0.000 2.304 63 A HA 1.040 5.630 4.320 0.081 -0.222 0.323 63 A C -1.299 176.344 177.584 0.099 0.000 1.195 63 A CA -2.212 49.859 52.037 0.057 0.000 0.826 63 A CB 2.278 21.231 19.000 -0.078 0.000 1.184 63 A HN 0.167 8.366 8.150 0.082 0.000 0.496 64 I N -4.623 116.038 120.570 0.152 0.000 2.969 64 I HA 0.708 4.973 4.170 -0.029 -0.113 0.307 64 I C -2.070 174.098 176.117 0.085 0.000 1.149 64 I CA -2.543 58.806 61.300 0.081 0.000 1.008 64 I CB 4.247 42.334 38.000 0.144 0.000 1.232 64 I HN 0.115 8.430 8.210 0.175 0.000 0.435 65 D N 0.956 121.268 120.400 -0.146 0.000 2.308 65 D HA 0.244 4.913 4.640 -0.159 -0.124 0.251 65 D C 0.933 177.257 176.300 0.040 0.000 1.127 65 D CA -0.899 53.033 54.000 -0.113 0.000 0.876 65 D CB 1.804 42.527 40.800 -0.129 0.000 1.176 65 D HN -0.323 7.786 8.370 -0.435 0.000 0.446 66 V N 5.369 125.295 119.914 0.019 0.000 2.343 66 V HA -0.397 3.754 4.120 0.052 0.000 0.247 66 V C 0.598 176.782 176.094 0.149 0.000 1.051 66 V CA 3.768 66.105 62.300 0.062 0.000 1.036 66 V CB 0.192 32.029 31.823 0.023 0.000 0.654 66 V HN 0.504 8.659 8.190 -0.058 0.000 0.451 67 T N -0.532 114.121 114.554 0.165 0.000 2.472 67 T HA -0.250 4.229 4.350 0.214 0.000 0.249 67 T C 0.828 175.714 174.700 0.311 0.000 1.205 67 T CA 2.678 64.911 62.100 0.222 0.000 1.268 67 T CB 0.538 69.523 68.868 0.195 0.000 0.872 67 T HN -0.647 7.832 8.240 0.116 -0.169 0.393 68 N N -0.438 118.488 118.700 0.377 0.000 2.573 68 N HA -0.033 5.038 4.740 0.552 0.000 0.187 68 N C -0.514 175.306 175.510 0.515 0.000 1.107 68 N CA 0.827 54.178 53.050 0.502 0.000 0.918 68 N CB -0.009 38.762 38.487 0.473 0.000 0.966 68 N HN 0.094 8.689 8.380 0.358 0.000 0.448 69 V N -4.080 116.088 119.914 0.424 0.000 6.078 69 V HA -0.519 3.982 4.120 0.319 -0.189 0.301 69 V C -2.435 173.883 176.094 0.373 0.000 0.571 69 V CA 0.788 63.307 62.300 0.366 0.000 0.625 69 V CB -2.137 29.906 31.823 0.366 0.000 0.271 69 V HN -0.518 7.825 8.190 0.368 0.068 0.788 70 Y N -4.459 115.993 120.300 0.253 0.000 2.409 70 Y HA 0.364 5.046 4.550 0.220 0.000 0.343 70 Y C -1.745 174.300 175.900 0.242 0.000 0.973 70 Y CA -3.484 54.758 58.100 0.237 0.000 1.064 70 Y CB 1.716 40.320 38.460 0.240 0.000 1.207 70 Y HN -0.930 7.492 8.280 0.238 0.000 0.452 71 V N 4.262 124.272 119.914 0.160 0.000 2.425 71 V HA -0.192 4.107 4.120 0.046 -0.152 0.276 71 V C 0.510 176.694 176.094 0.149 0.000 1.017 71 V CA 0.792 63.158 62.300 0.110 0.000 1.062 71 V CB -0.418 31.519 31.823 0.190 0.000 0.997 71 V HN 0.412 8.762 8.190 0.266 0.000 0.476 72 V N 2.072 121.986 119.914 0.001 0.000 2.488 72 V HA -0.023 4.367 4.120 0.451 0.000 0.246 72 V C -0.752 175.478 176.094 0.226 0.000 1.046 72 V CA 1.191 63.617 62.300 0.211 0.000 1.053 72 V CB 0.244 32.185 31.823 0.196 0.000 0.679 72 V HN -0.370 7.778 8.190 -0.069 0.000 0.458 73 A N -4.410 118.473 122.820 0.105 0.000 2.536 73 A HA 0.376 4.561 4.320 -0.225 0.000 0.293 73 A C -2.733 174.830 177.584 -0.035 0.000 1.119 73 A CA -0.416 51.583 52.037 -0.064 0.000 0.654 73 A CB 2.794 21.843 19.000 0.080 0.000 1.291 73 A HN -0.813 7.388 8.150 0.086 0.000 0.439 74 Y N -5.900 114.207 120.300 -0.322 0.000 2.609 74 Y HA 0.339 4.782 4.550 -0.177 0.000 0.336 74 Y C -3.043 172.607 175.900 -0.417 0.000 1.129 74 Y CA -1.273 56.642 58.100 -0.308 0.000 1.040 74 Y CB 2.837 41.121 38.460 -0.293 0.000 1.310 74 Y HN -0.140 7.461 8.280 -1.131 0.000 0.460 75 R N 0.375 120.810 120.500 -0.109 0.000 2.445 75 R HA 0.470 4.762 4.340 -0.268 -0.114 0.308 75 R C -1.364 174.880 176.300 -0.094 0.000 0.961 75 R CA -1.218 54.796 56.100 -0.144 0.000 0.862 75 R CB 3.203 33.477 30.300 -0.044 0.000 1.144 75 R HN 0.797 8.963 8.270 0.006 0.108 0.447 76 T N 4.935 119.436 114.554 -0.089 0.000 2.841 76 T HA 0.425 4.578 4.350 -0.329 0.000 0.283 76 T C -0.410 174.299 174.700 0.015 0.000 1.000 76 T CA -1.334 60.670 62.100 -0.159 0.000 0.977 76 T CB 2.519 71.303 68.868 -0.139 0.000 0.979 76 T HN 0.717 8.913 8.240 -0.073 0.000 0.446 77 R N 5.782 126.389 120.500 0.178 0.000 3.793 77 R HA -0.414 4.101 4.340 0.290 0.000 0.464 77 R C -2.068 174.293 176.300 0.102 0.000 0.241 77 R CA 2.910 59.148 56.100 0.230 0.000 1.464 77 R CB -0.833 29.594 30.300 0.212 0.000 0.954 77 R HN 0.518 8.926 8.270 0.230 0.000 0.583 78 D N -0.752 119.686 120.400 0.063 0.000 2.463 78 D HA 0.235 4.899 4.640 0.040 0.000 0.224 78 D C -0.812 175.486 176.300 -0.004 0.000 1.174 78 D CA 0.009 54.028 54.000 0.032 0.000 0.829 78 D CB 0.204 41.020 40.800 0.027 0.000 0.993 78 D HN 0.069 8.478 8.370 0.064 0.000 0.497 79 V N 0.229 120.134 119.914 -0.016 0.000 2.540 79 V HA 0.421 4.478 4.120 -0.105 0.000 0.302 79 V C -2.532 173.516 176.094 -0.077 0.000 1.035 79 V CA -1.641 60.617 62.300 -0.071 0.000 0.873 79 V CB 3.307 35.072 31.823 -0.097 0.000 0.992 79 V HN 0.353 8.370 8.190 0.014 0.182 0.428 80 S N 5.751 121.316 115.700 -0.225 0.000 2.521 80 S HA 0.848 5.181 4.470 -0.448 -0.132 0.295 80 S C -1.058 173.071 174.600 -0.785 0.000 1.098 80 S CA -1.774 56.173 58.200 -0.422 0.000 0.999 80 S CB 2.788 65.788 63.200 -0.333 0.000 1.034 80 S HN 0.013 8.149 8.310 -0.290 0.000 0.483 81 Y N -0.726 118.842 120.300 -1.220 0.000 2.545 81 Y HA 0.947 4.154 4.550 -2.436 -0.119 0.348 81 Y C -2.083 172.877 175.900 -1.567 0.000 1.002 81 Y CA -2.999 54.082 58.100 -1.698 0.000 1.039 81 Y CB 2.184 39.993 38.460 -1.086 0.000 1.271 81 Y HN -0.122 7.158 8.280 -1.667 0.000 0.467 82 F N -5.789 113.898 119.950 -0.438 0.000 2.675 82 F HA 0.478 4.657 4.527 -0.579 0.000 0.324 82 F C -1.059 174.548 175.800 -0.322 0.000 1.106 82 F CA -2.368 55.377 58.000 -0.426 0.000 0.970 82 F CB 2.407 41.258 39.000 -0.248 0.000 1.385 82 F HN -0.247 6.981 8.300 -1.786 0.000 0.489 83 F N -1.742 118.366 119.950 0.263 0.000 2.192 83 F HA 0.312 5.023 4.527 0.207 -0.060 0.269 83 F C -0.307 175.636 175.800 0.239 0.000 0.946 83 F CA 0.269 58.405 58.000 0.227 0.000 1.139 83 F CB 1.774 40.901 39.000 0.211 0.000 1.877 83 F HN -0.296 8.126 8.300 0.204 0.000 0.571 84 K N -2.257 118.413 120.400 0.449 0.000 2.349 84 K HA 0.144 4.646 4.320 0.303 0.000 0.243 84 K C -0.255 176.487 176.600 0.237 0.000 1.058 84 K CA -1.336 55.129 56.287 0.296 0.000 0.871 84 K CB 2.677 35.311 32.500 0.224 0.000 1.337 84 K HN -0.376 8.172 8.250 0.497 0.000 0.469 85 E N -2.198 118.111 120.200 0.183 0.000 3.975 85 E HA -0.303 4.116 4.350 0.114 0.000 0.342 85 E C -0.899 175.790 176.600 0.148 0.000 0.677 85 E CA 2.329 58.812 56.400 0.137 0.000 1.238 85 E CB -0.757 29.008 29.700 0.109 0.000 1.665 85 E HN 0.743 9.209 8.360 0.178 0.000 0.429 86 S N -4.599 111.220 115.700 0.198 0.000 4.476 86 S HA 0.221 4.792 4.470 0.168 0.000 0.193 86 S C -1.425 173.330 174.600 0.258 0.000 1.131 86 S CA 1.337 59.663 58.200 0.209 0.000 1.198 86 S CB -0.044 63.284 63.200 0.214 0.000 1.566 86 S HN -0.168 8.189 8.310 0.233 0.093 0.507 87 P HA 0.062 4.682 4.420 0.333 0.000 0.217 87 P C -1.129 176.246 177.300 0.124 0.000 1.148 87 P CA 3.332 66.602 63.100 0.282 0.000 0.828 87 P CB -1.973 29.938 31.700 0.351 0.000 0.783 88 P HA -0.247 4.218 4.420 0.075 0.000 0.217 88 P C 1.655 179.067 177.300 0.186 0.000 1.151 88 P CA 2.717 65.951 63.100 0.223 0.000 0.849 88 P CB -0.742 31.175 31.700 0.361 0.000 0.787 89 E N -2.010 118.291 120.200 0.169 0.000 2.394 89 E HA -0.380 4.050 4.350 0.133 0.000 0.202 89 E C 2.396 179.043 176.600 0.080 0.000 1.029 89 E CA 2.341 58.831 56.400 0.149 0.000 0.855 89 E CB -0.900 28.901 29.700 0.168 0.000 0.770 89 E HN -0.426 8.034 8.360 0.183 0.009 0.527 90 A N 0.290 123.050 122.820 -0.100 0.000 1.908 90 A HA -0.251 3.714 4.320 -0.591 0.000 0.218 90 A C 2.119 179.246 177.584 -0.761 0.000 1.181 90 A CA 2.795 54.500 52.037 -0.554 0.000 0.627 90 A CB -0.966 17.552 19.000 -0.803 0.000 0.818 90 A HN 0.616 8.484 8.150 -0.066 0.242 0.445 91 Y N -3.889 116.060 120.300 -0.585 0.000 2.219 91 Y HA -0.418 3.385 4.550 -1.245 0.000 0.283 91 Y C 1.516 177.083 175.900 -0.555 0.000 1.191 91 Y CA 3.934 61.650 58.100 -0.640 0.000 1.199 91 Y CB -0.694 37.669 38.460 -0.161 0.000 0.972 91 Y HN 0.429 8.338 8.280 -0.422 0.117 0.527 92 N N -2.613 115.983 118.700 -0.174 0.000 2.080 92 N HA -0.212 4.474 4.740 -0.089 0.000 0.189 92 N C 1.130 176.532 175.510 -0.181 0.000 1.036 92 N CA 2.909 55.889 53.050 -0.118 0.000 0.846 92 N CB 0.293 38.769 38.487 -0.018 0.000 1.015 92 N HN -0.433 7.755 8.380 -0.090 0.139 0.423 93 I N -3.533 116.913 120.570 -0.206 0.000 3.443 93 I HA -0.136 3.954 4.170 -0.133 0.000 0.277 93 I C 0.370 176.280 176.117 -0.345 0.000 1.169 93 I CA 0.236 61.438 61.300 -0.164 0.000 1.419 93 I CB 1.179 39.229 38.000 0.084 0.000 1.331 93 I HN -0.804 7.287 8.210 -0.197 0.000 0.458 94 L N -1.884 118.973 121.223 -0.609 0.000 1.953 94 L HA -0.237 3.851 4.340 -0.419 0.000 0.246 94 L C 0.218 176.817 176.870 -0.452 0.000 1.050 94 L CA 1.255 55.745 54.840 -0.584 0.000 1.041 94 L CB 0.118 41.768 42.059 -0.682 0.000 0.983 94 L HN -0.730 7.068 8.230 -0.719 0.000 0.478 95 F N -3.820 115.993 119.950 -0.229 0.000 2.607 95 F HA -0.099 4.381 4.527 -0.079 0.000 0.374 95 F C -0.341 175.417 175.800 -0.070 0.000 1.104 95 F CA -0.203 57.734 58.000 -0.105 0.000 1.296 95 F CB 0.127 39.099 39.000 -0.046 0.000 1.085 95 F HN -0.288 7.995 8.300 -0.029 0.000 0.584 96 K N 4.990 125.404 120.400 0.023 0.000 2.753 96 K HA 0.301 4.586 4.320 -0.059 0.000 0.185 96 K C -0.459 176.189 176.600 0.079 0.000 1.071 96 K CA -0.445 55.836 56.287 -0.010 0.000 0.999 96 K CB -0.297 32.171 32.500 -0.054 0.000 1.244 96 K HN 0.169 8.474 8.250 0.090 0.000 0.594 97 G N 1.777 110.669 108.800 0.154 0.000 3.180 97 G HA2 -0.251 3.771 3.960 0.103 0.000 0.197 97 G HA3 -0.251 3.760 3.960 0.085 0.000 0.197 97 G C -0.224 174.756 174.900 0.133 0.000 1.149 97 G CA -0.245 44.926 45.100 0.118 0.000 0.847 97 G HN 0.066 8.503 8.290 0.246 0.000 0.469 98 T N 3.205 117.848 114.554 0.148 0.000 2.791 98 T HA -0.193 4.195 4.350 0.063 0.000 0.323 98 T C -0.098 174.645 174.700 0.072 0.000 1.082 98 T CA 1.096 63.253 62.100 0.094 0.000 1.084 98 T CB 0.664 69.581 68.868 0.082 0.000 0.992 98 T HN -0.236 8.106 8.240 0.169 0.000 0.547 99 R N 1.047 121.545 120.500 -0.003 0.000 2.863 99 R HA -0.176 4.169 4.340 0.009 0.000 0.273 99 R C -0.622 175.581 176.300 -0.161 0.000 1.057 99 R CA 0.920 56.993 56.100 -0.045 0.000 1.191 99 R CB 0.693 30.948 30.300 -0.076 0.000 1.104 99 R HN 0.141 8.405 8.270 -0.009 0.000 0.519 100 K N -0.929 119.380 120.400 -0.151 0.000 2.507 100 K HA 0.774 4.921 4.320 -0.613 -0.195 0.251 100 K C -1.461 174.995 176.600 -0.240 0.000 0.943 100 K CA -1.649 54.467 56.287 -0.285 0.000 0.794 100 K CB 2.365 34.902 32.500 0.061 0.000 1.188 100 K HN -0.038 8.174 8.250 -0.064 0.000 0.428 101 I N 4.144 124.386 120.570 -0.547 0.000 2.548 101 I HA 0.138 4.190 4.170 -0.197 0.000 0.287 101 I C -1.587 174.195 176.117 -0.558 0.000 1.103 101 I CA -0.325 60.727 61.300 -0.413 0.000 1.049 101 I CB 3.884 41.613 38.000 -0.453 0.000 1.232 101 I HN 0.528 8.149 8.210 -0.982 0.000 0.429 102 T N 8.386 122.811 114.554 -0.216 0.000 2.758 102 T HA 0.450 4.781 4.350 -0.330 -0.179 0.285 102 T C -0.299 174.362 174.700 -0.066 0.000 0.981 102 T CA -0.942 61.092 62.100 -0.110 0.000 0.965 102 T CB 0.631 69.650 68.868 0.253 0.000 0.927 102 T HN 0.024 8.231 8.240 -0.055 0.000 0.448 103 L N 5.871 127.055 121.223 -0.066 0.000 2.461 103 L HA 0.186 4.485 4.340 -0.068 0.000 0.272 103 L C -0.252 176.628 176.870 0.017 0.000 1.197 103 L CA -1.417 53.426 54.840 0.005 0.000 0.836 103 L CB -1.134 41.052 42.059 0.212 0.000 1.105 103 L HN -0.105 8.044 8.230 -0.136 0.000 0.477 104 P HA -0.196 4.190 4.420 -0.056 0.000 0.234 104 P C -1.659 175.553 177.300 -0.147 0.000 1.162 104 P CA 0.765 63.756 63.100 -0.182 0.000 0.759 104 P CB -0.001 31.516 31.700 -0.305 0.000 0.813 105 Y N -3.197 117.241 120.300 0.229 0.000 2.304 105 Y HA 0.014 4.643 4.550 0.131 0.000 0.327 105 Y C -0.083 175.985 175.900 0.280 0.000 1.209 105 Y CA -1.061 57.182 58.100 0.239 0.000 1.299 105 Y CB 0.534 39.190 38.460 0.326 0.000 1.249 105 Y HN -0.674 7.497 8.280 0.012 0.117 0.519 106 T N -2.350 112.351 114.554 0.244 0.000 2.934 106 T HA 0.042 4.744 4.350 0.260 -0.196 0.283 106 T C 1.002 175.578 174.700 -0.207 0.000 1.005 106 T CA -1.612 60.564 62.100 0.127 0.000 1.041 106 T CB 1.385 70.295 68.868 0.070 0.000 1.042 106 T HN -0.139 8.227 8.240 0.210 0.000 0.505 107 G N 1.754 110.508 108.800 -0.077 0.000 3.100 107 G HA2 -0.201 3.119 3.960 -1.067 0.000 0.246 107 G HA3 -0.201 3.816 3.960 0.095 0.000 0.246 107 G C -1.207 173.464 174.900 -0.382 0.000 0.898 107 G CA 0.183 45.092 45.100 -0.318 0.000 1.934 107 G HN 0.022 8.411 8.290 0.165 0.000 0.600 108 N N 0.258 118.681 118.700 -0.461 0.000 2.240 108 N HA 0.246 4.846 4.740 -0.234 0.000 0.302 108 N C -0.180 175.128 175.510 -0.337 0.000 1.106 108 N CA -1.174 51.706 53.050 -0.283 0.000 0.778 108 N CB 3.299 41.720 38.487 -0.110 0.000 1.431 108 N HN 0.024 7.954 8.380 -0.564 0.111 0.479 109 Y N 1.930 122.146 120.300 -0.140 0.000 2.242 109 Y HA -0.445 4.026 4.550 -0.131 0.000 0.291 109 Y C 1.728 177.560 175.900 -0.113 0.000 1.137 109 Y CA 5.109 63.141 58.100 -0.115 0.000 1.181 109 Y CB -0.275 38.146 38.460 -0.065 0.000 0.989 109 Y HN 0.675 9.044 8.280 0.147 0.000 0.527 110 E N -0.898 119.342 120.200 0.066 0.000 2.085 110 E HA -0.395 3.961 4.350 0.011 0.000 0.194 110 E C 2.500 179.075 176.600 -0.042 0.000 0.994 110 E CA 3.788 60.193 56.400 0.008 0.000 0.801 110 E CB -0.549 29.158 29.700 0.013 0.000 0.743 110 E HN 0.224 8.642 8.360 0.097 0.000 0.453 111 N N -0.467 118.198 118.700 -0.058 0.000 2.084 111 N HA -0.267 4.488 4.740 0.025 0.000 0.190 111 N C 2.310 177.709 175.510 -0.185 0.000 1.030 111 N CA 3.511 56.539 53.050 -0.037 0.000 0.849 111 N CB -0.364 38.137 38.487 0.023 0.000 1.012 111 N HN 0.014 8.355 8.380 -0.064 0.000 0.423 112 L N -0.912 120.153 121.223 -0.263 0.000 2.093 112 L HA -0.254 3.770 4.340 -0.526 0.000 0.208 112 L C 1.781 178.517 176.870 -0.223 0.000 1.085 112 L CA 2.905 57.550 54.840 -0.325 0.000 0.755 112 L CB -0.778 41.133 42.059 -0.247 0.000 0.904 112 L HN -0.518 7.562 8.230 -0.250 0.000 0.435 113 Q N 0.307 120.027 119.800 -0.134 0.000 2.096 113 Q HA -0.346 3.949 4.340 -0.076 0.000 0.204 113 Q C 2.633 178.515 176.000 -0.196 0.000 0.982 113 Q CA 3.465 59.207 55.803 -0.103 0.000 0.850 113 Q CB -0.095 28.618 28.738 -0.042 0.000 0.901 113 Q HN 0.763 8.761 8.270 -0.102 0.210 0.422 114 T N 1.327 115.745 114.554 -0.226 0.000 2.737 114 T HA -0.341 3.756 4.350 -0.422 0.000 0.265 114 T C 1.432 175.753 174.700 -0.632 0.000 1.038 114 T CA 4.092 65.968 62.100 -0.374 0.000 1.144 114 T CB 0.029 68.790 68.868 -0.178 0.000 0.866 114 T HN -0.160 7.981 8.240 -0.165 0.000 0.434 115 A N 0.466 123.065 122.820 -0.368 0.000 1.883 115 A HA -0.257 4.018 4.320 -0.075 0.000 0.217 115 A C 0.632 178.129 177.584 -0.145 0.000 1.186 115 A CA 2.585 54.474 52.037 -0.247 0.000 0.624 115 A CB -0.501 18.185 19.000 -0.524 0.000 0.822 115 A HN -0.528 7.429 8.150 -0.323 0.000 0.444 116 A N -5.425 117.290 122.820 -0.175 0.000 2.119 116 A HA -0.092 4.239 4.320 0.018 0.000 0.216 116 A C -0.869 176.753 177.584 0.064 0.000 1.152 116 A CA -0.280 51.736 52.037 -0.035 0.000 0.708 116 A CB 0.835 19.802 19.000 -0.056 0.000 0.805 116 A HN -0.171 7.725 8.150 -0.243 0.109 0.460 117 H N -4.920 114.134 119.070 -0.025 0.000 2.741 117 H HA -0.351 4.233 4.556 -0.007 -0.033 0.305 117 H C -1.034 174.285 175.328 -0.015 0.000 1.169 117 H CA 1.483 57.524 56.048 -0.012 0.000 1.144 117 H CB -3.245 26.515 29.762 -0.005 0.000 1.397 117 H HN -0.054 7.752 8.280 -0.375 0.249 0.409 118 K N -3.799 116.621 120.400 0.033 0.000 2.499 118 K HA 0.299 4.636 4.320 0.028 0.000 0.277 118 K C -2.248 174.350 176.600 -0.004 0.000 1.025 118 K CA -1.949 54.349 56.287 0.018 0.000 0.900 118 K CB 4.195 36.701 32.500 0.009 0.000 1.494 118 K HN -0.731 7.500 8.250 -0.018 0.008 0.442 119 I N -4.962 115.602 120.570 -0.010 0.000 2.957 119 I HA 0.363 4.527 4.170 -0.010 0.000 0.310 119 I C 1.024 177.126 176.117 -0.025 0.000 1.063 119 I CA -2.630 58.661 61.300 -0.016 0.000 1.033 119 I CB 3.258 41.246 38.000 -0.020 0.000 1.230 119 I HN -0.023 8.180 8.210 -0.012 0.000 0.447 120 R N 0.964 121.448 120.500 -0.027 0.000 2.127 120 R HA -0.310 4.012 4.340 -0.030 0.000 0.238 120 R C 1.928 178.185 176.300 -0.071 0.000 1.134 120 R CA 3.563 59.639 56.100 -0.040 0.000 0.975 120 R CB -0.442 29.833 30.300 -0.042 0.000 0.865 120 R HN 0.643 8.898 8.270 -0.025 0.000 0.447 121 E N -3.901 116.260 120.200 -0.064 0.000 2.209 121 E HA -0.244 4.050 4.350 -0.094 0.000 0.196 121 E C 0.444 176.987 176.600 -0.094 0.000 0.993 121 E CA 2.219 58.572 56.400 -0.077 0.000 0.819 121 E CB -0.563 29.107 29.700 -0.049 0.000 0.745 121 E HN 0.328 8.642 8.360 -0.050 0.016 0.477 122 N N -3.228 115.428 118.700 -0.073 0.000 2.268 122 N HA 0.058 4.748 4.740 -0.083 0.000 0.204 122 N C -1.054 174.406 175.510 -0.083 0.000 1.124 122 N CA -0.069 52.938 53.050 -0.072 0.000 0.838 122 N CB 0.725 39.187 38.487 -0.042 0.000 0.994 122 N HN -0.403 7.792 8.380 -0.056 0.151 0.489 123 I N 1.418 121.929 120.570 -0.098 0.000 2.392 123 I HA -0.073 4.052 4.170 -0.076 0.000 0.295 123 I C -1.183 174.846 176.117 -0.147 0.000 0.985 123 I CA -0.424 60.820 61.300 -0.094 0.000 1.221 123 I CB 1.541 39.502 38.000 -0.064 0.000 1.366 123 I HN -0.441 7.507 8.210 -0.102 0.200 0.467 124 D N 6.208 126.528 120.400 -0.133 0.000 2.357 124 D HA -0.048 4.444 4.640 -0.247 0.000 0.242 124 D C -1.647 174.555 176.300 -0.164 0.000 1.153 124 D CA 0.897 54.793 54.000 -0.172 0.000 0.918 124 D CB 0.685 41.415 40.800 -0.116 0.000 1.181 124 D HN 0.140 8.451 8.370 -0.098 0.000 0.435 125 L N -1.023 120.076 121.223 -0.206 0.000 2.491 125 L HA 0.361 4.658 4.340 -0.072 0.000 0.254 125 L C -2.030 174.794 176.870 -0.077 0.000 1.048 125 L CA -0.912 53.853 54.840 -0.126 0.000 0.855 125 L CB 4.270 46.242 42.059 -0.145 0.000 1.466 125 L HN 0.018 8.084 8.230 -0.275 -0.001 0.409 126 G N -3.066 105.744 108.800 0.017 0.000 2.348 126 G HA2 -0.168 3.891 3.960 0.164 0.000 0.606 126 G HA3 -0.168 3.826 3.960 0.056 0.000 0.606 126 G C -0.270 174.710 174.900 0.135 0.000 1.466 126 G CA -0.660 44.497 45.100 0.093 0.000 0.950 126 G HN -0.340 7.970 8.290 0.032 0.000 0.657 127 L N 0.761 122.103 121.223 0.199 0.000 1.991 127 L HA -0.419 4.085 4.340 0.272 0.000 0.221 127 L C -0.185 176.785 176.870 0.167 0.000 1.079 127 L CA 5.586 60.563 54.840 0.228 0.000 0.778 127 L CB -2.194 40.020 42.059 0.259 0.000 0.893 127 L HN -0.041 8.325 8.230 0.227 0.000 0.437 128 P HA -0.275 4.207 4.420 0.104 0.000 0.216 128 P C 0.458 177.795 177.300 0.063 0.000 1.150 128 P CA 2.502 65.654 63.100 0.086 0.000 0.843 128 P CB -1.120 30.605 31.700 0.042 0.000 0.787 129 A N -3.272 119.579 122.820 0.052 0.000 1.978 129 A HA -0.256 4.068 4.320 0.008 0.000 0.220 129 A C 2.104 179.711 177.584 0.037 0.000 1.170 129 A CA 2.638 54.688 52.037 0.023 0.000 0.636 129 A CB -0.918 18.080 19.000 -0.002 0.000 0.810 129 A HN -0.112 7.948 8.150 0.063 0.128 0.448 130 L N -1.541 119.722 121.223 0.066 0.000 2.046 130 L HA -0.307 4.054 4.340 0.034 0.000 0.208 130 L C 1.189 178.096 176.870 0.062 0.000 1.077 130 L CA 3.035 57.913 54.840 0.062 0.000 0.747 130 L CB -0.540 41.580 42.059 0.101 0.000 0.896 130 L HN 0.094 8.238 8.230 0.090 0.141 0.432 131 S N -1.293 114.460 115.700 0.088 0.000 2.374 131 S HA -0.432 4.108 4.470 0.116 0.000 0.227 131 S C 2.083 176.734 174.600 0.084 0.000 1.037 131 S CA 4.149 62.411 58.200 0.105 0.000 1.024 131 S CB -0.988 62.284 63.200 0.120 0.000 0.861 131 S HN -0.441 7.820 8.310 0.101 0.110 0.456 132 S N 3.474 119.207 115.700 0.054 0.000 2.382 132 S HA -0.294 4.206 4.470 0.050 0.000 0.228 132 S C 2.021 176.645 174.600 0.039 0.000 1.027 132 S CA 3.591 61.816 58.200 0.040 0.000 0.991 132 S CB -0.477 62.731 63.200 0.012 0.000 0.823 132 S HN -0.769 7.474 8.310 0.046 0.094 0.469 133 A N 2.894 125.724 122.820 0.016 0.000 1.845 133 A HA -0.347 3.952 4.320 -0.035 0.000 0.215 133 A C 1.769 179.336 177.584 -0.027 0.000 1.195 133 A CA 3.205 55.226 52.037 -0.026 0.000 0.616 133 A CB -0.705 18.265 19.000 -0.050 0.000 0.832 133 A HN -0.342 7.711 8.150 0.020 0.109 0.443 134 I N -2.243 118.328 120.570 0.001 0.000 2.226 134 I HA -0.609 3.507 4.170 -0.090 0.000 0.245 134 I C 2.227 178.443 176.117 0.164 0.000 1.100 134 I CA 4.497 65.810 61.300 0.022 0.000 1.374 134 I CB -0.086 37.960 38.000 0.076 0.000 1.057 134 I HN 0.295 8.515 8.210 0.016 0.000 0.413 135 T N 2.816 117.498 114.554 0.213 0.000 2.708 135 T HA -0.394 4.239 4.350 0.472 0.000 0.266 135 T C 1.899 176.815 174.700 0.360 0.000 1.037 135 T CA 5.425 67.723 62.100 0.330 0.000 1.146 135 T CB -0.182 68.814 68.868 0.213 0.000 0.865 135 T HN 0.468 8.678 8.240 0.151 0.121 0.435 136 T N 4.232 118.908 114.554 0.203 0.000 2.746 136 T HA -0.392 4.090 4.350 0.220 0.000 0.267 136 T C 1.301 176.124 174.700 0.205 0.000 1.039 136 T CA 5.105 67.312 62.100 0.179 0.000 1.142 136 T CB 0.012 68.918 68.868 0.063 0.000 0.866 136 T HN 0.241 8.424 8.240 0.133 0.136 0.444 137 L N -0.003 121.301 121.223 0.135 0.000 2.042 137 L HA -0.390 4.135 4.340 0.309 0.000 0.210 137 L C 2.301 179.290 176.870 0.199 0.000 1.076 137 L CA 3.033 57.981 54.840 0.180 0.000 0.749 137 L CB -0.340 41.712 42.059 -0.013 0.000 0.893 137 L HN -0.253 8.019 8.230 0.070 0.000 0.432 138 F N -1.418 118.627 119.950 0.158 0.000 2.161 138 F HA -0.260 4.280 4.527 0.022 0.000 0.300 138 F C 2.173 177.885 175.800 -0.148 0.000 1.089 138 F CA 3.168 61.163 58.000 -0.008 0.000 1.282 138 F CB 0.317 39.265 39.000 -0.087 0.000 1.010 138 F HN -0.642 7.787 8.300 0.223 0.004 0.485 139 Y N -4.194 116.289 120.300 0.306 0.000 2.897 139 Y HA -0.002 4.667 4.550 0.198 0.000 0.372 139 Y C -0.620 175.386 175.900 0.176 0.000 1.034 139 Y CA -1.692 56.528 58.100 0.199 0.000 1.627 139 Y CB -1.497 37.042 38.460 0.132 0.000 1.474 139 Y HN -0.721 7.776 8.280 0.516 0.093 0.517 140 Y N 3.620 124.017 120.300 0.160 0.000 2.705 140 Y HA -0.385 4.314 4.550 0.153 -0.057 0.404 140 Y C -1.268 174.688 175.900 0.094 0.000 1.302 140 Y CA 0.992 59.157 58.100 0.107 0.000 1.705 140 Y CB -0.631 37.813 38.460 -0.027 0.000 1.165 140 Y HN -0.821 7.575 8.280 0.343 0.090 0.489 141 N N 7.351 125.875 118.700 -0.294 0.000 2.457 141 N HA 0.053 4.766 4.740 -0.044 0.000 0.250 141 N C 0.102 175.377 175.510 -0.392 0.000 0.982 141 N CA -1.765 51.168 53.050 -0.195 0.000 0.941 141 N CB 0.772 39.215 38.487 -0.074 0.000 1.120 141 N HN -0.148 8.053 8.380 -0.300 0.000 0.505 142 A N 7.285 129.972 122.820 -0.221 0.000 1.906 142 A HA -0.402 3.864 4.320 -0.091 0.000 0.222 142 A C 0.656 178.190 177.584 -0.082 0.000 1.282 142 A CA 3.046 55.030 52.037 -0.090 0.000 0.675 142 A CB -0.592 18.463 19.000 0.093 0.000 0.838 142 A HN 0.838 8.962 8.150 -0.043 0.000 0.469 143 Q N -2.803 116.971 119.800 -0.042 0.000 2.016 143 Q HA -0.233 4.122 4.340 0.025 0.000 0.200 143 Q C 2.506 178.475 176.000 -0.053 0.000 0.978 143 Q CA 2.322 58.117 55.803 -0.013 0.000 0.833 143 Q CB 0.245 28.988 28.738 0.008 0.000 0.895 143 Q HN -0.385 8.022 8.270 -0.029 -0.155 0.427 144 S N -1.230 114.423 115.700 -0.078 0.000 2.368 144 S HA -0.214 4.229 4.470 -0.046 0.000 0.224 144 S C 1.667 176.206 174.600 -0.103 0.000 1.029 144 S CA 2.335 60.492 58.200 -0.072 0.000 0.988 144 S CB -0.252 62.914 63.200 -0.056 0.000 0.838 144 S HN -0.253 8.010 8.310 -0.078 0.000 0.462 145 A N 1.396 124.083 122.820 -0.223 0.000 1.900 145 A HA -0.412 3.804 4.320 -0.174 0.000 0.225 145 A C -1.181 176.392 177.584 -0.019 0.000 1.414 145 A CA 5.067 56.955 52.037 -0.249 0.000 0.702 145 A CB -2.922 15.594 19.000 -0.807 0.000 0.845 145 A HN 0.849 8.696 8.150 -0.297 0.124 0.478 146 P HA -0.288 4.234 4.420 0.169 0.000 0.215 146 P C 1.691 179.007 177.300 0.027 0.000 1.157 146 P CA 2.839 65.968 63.100 0.049 0.000 0.874 146 P CB -0.511 31.144 31.700 -0.074 0.000 0.790 147 S N -1.310 114.383 115.700 -0.011 0.000 2.423 147 S HA -0.230 4.240 4.470 0.000 0.000 0.231 147 S C 1.937 176.531 174.600 -0.009 0.000 1.014 147 S CA 2.859 61.053 58.200 -0.009 0.000 0.965 147 S CB -0.721 62.467 63.200 -0.020 0.000 0.785 147 S HN -0.265 7.957 8.310 -0.030 0.070 0.495 148 A N 2.944 125.753 122.820 -0.018 0.000 1.841 148 A HA -0.256 4.045 4.320 -0.032 0.000 0.214 148 A C 1.951 179.497 177.584 -0.063 0.000 1.195 148 A CA 3.107 55.122 52.037 -0.037 0.000 0.611 148 A CB -0.407 18.568 19.000 -0.042 0.000 0.835 148 A HN 0.268 8.166 8.150 -0.021 0.240 0.443 149 L N -4.388 116.792 121.223 -0.072 0.000 2.083 149 L HA -0.407 3.772 4.340 -0.268 0.000 0.209 149 L C 2.160 179.029 176.870 -0.001 0.000 1.083 149 L CA 3.245 58.012 54.840 -0.122 0.000 0.752 149 L CB -0.860 41.180 42.059 -0.032 0.000 0.899 149 L HN -0.512 7.706 8.230 -0.020 0.000 0.433 150 L N -1.467 119.784 121.223 0.046 0.000 2.042 150 L HA -0.441 3.960 4.340 0.102 0.000 0.210 150 L C 2.341 179.243 176.870 0.055 0.000 1.076 150 L CA 3.126 58.010 54.840 0.074 0.000 0.749 150 L CB -0.801 41.301 42.059 0.072 0.000 0.893 150 L HN -0.550 7.695 8.230 0.048 0.013 0.432 151 V N -0.736 119.187 119.914 0.014 0.000 2.343 151 V HA -0.539 3.584 4.120 0.005 0.000 0.247 151 V C 1.967 178.063 176.094 0.002 0.000 1.051 151 V CA 4.699 67.000 62.300 0.002 0.000 1.036 151 V CB -0.100 31.713 31.823 -0.015 0.000 0.654 151 V HN -0.555 7.540 8.190 0.002 0.096 0.451 152 L N 0.950 122.161 121.223 -0.020 0.000 2.046 152 L HA -0.178 4.142 4.340 -0.034 0.000 0.208 152 L C 2.055 178.928 176.870 0.007 0.000 1.077 152 L CA 3.171 57.991 54.840 -0.034 0.000 0.747 152 L CB -0.088 41.912 42.059 -0.099 0.000 0.896 152 L HN -0.623 7.492 8.230 -0.038 0.092 0.432 153 I N -0.726 119.874 120.570 0.050 0.000 2.163 153 I HA -0.705 3.530 4.170 0.108 0.000 0.243 153 I C 2.010 178.179 176.117 0.087 0.000 1.085 153 I CA 4.711 66.076 61.300 0.108 0.000 1.347 153 I CB -0.467 37.644 38.000 0.185 0.000 1.044 153 I HN 0.300 8.459 8.210 0.048 0.080 0.408 154 Q N -1.269 118.575 119.800 0.074 0.000 2.119 154 Q HA -0.373 3.992 4.340 0.041 0.000 0.201 154 Q C 2.769 178.776 176.000 0.012 0.000 0.972 154 Q CA 3.553 59.379 55.803 0.037 0.000 0.847 154 Q CB 0.224 28.975 28.738 0.022 0.000 0.903 154 Q HN -0.013 8.303 8.270 0.078 0.000 0.433 155 T N -4.586 109.978 114.554 0.017 0.000 2.978 155 T HA -0.184 4.205 4.350 0.065 0.000 0.262 155 T C 1.261 175.956 174.700 -0.007 0.000 1.063 155 T CA 3.028 65.151 62.100 0.039 0.000 1.140 155 T CB 0.607 69.505 68.868 0.051 0.000 0.886 155 T HN 0.135 8.279 8.240 0.017 0.107 0.470 156 T N -0.937 113.577 114.554 -0.065 0.000 3.082 156 T HA 0.177 4.377 4.350 -0.250 0.000 0.235 156 T C 1.136 175.746 174.700 -0.150 0.000 0.991 156 T CA 1.300 63.312 62.100 -0.147 0.000 1.220 156 T CB 1.244 70.046 68.868 -0.110 0.000 0.909 156 T HN -0.065 8.039 8.240 -0.032 0.118 0.424 157 A N 1.791 124.577 122.820 -0.057 0.000 1.858 157 A HA -0.263 4.001 4.320 -0.093 0.000 0.216 157 A C 2.298 179.837 177.584 -0.075 0.000 1.190 157 A CA 3.073 55.091 52.037 -0.032 0.000 0.617 157 A CB -0.843 18.231 19.000 0.124 0.000 0.827 157 A HN -0.500 7.649 8.150 -0.001 0.000 0.443 158 E N -2.216 117.963 120.200 -0.034 0.000 2.072 158 E HA -0.373 3.902 4.350 -0.124 0.000 0.191 158 E C 2.396 178.934 176.600 -0.103 0.000 0.985 158 E CA 2.519 58.873 56.400 -0.077 0.000 0.801 158 E CB -0.522 29.156 29.700 -0.037 0.000 0.750 158 E HN 0.474 8.727 8.360 0.011 0.114 0.452 159 A N -0.674 122.102 122.820 -0.073 0.000 1.917 159 A HA -0.266 4.027 4.320 -0.045 0.000 0.219 159 A C 1.690 179.233 177.584 -0.068 0.000 1.182 159 A CA 2.781 54.801 52.037 -0.029 0.000 0.633 159 A CB -0.704 18.368 19.000 0.119 0.000 0.819 159 A HN -0.569 7.548 8.150 -0.056 0.000 0.448 160 A N -2.905 119.794 122.820 -0.202 0.000 1.969 160 A HA -0.301 3.916 4.320 -0.171 0.000 0.218 160 A C 1.517 179.000 177.584 -0.168 0.000 1.169 160 A CA 2.257 54.132 52.037 -0.270 0.000 0.635 160 A CB -0.364 18.167 19.000 -0.780 0.000 0.810 160 A HN -0.652 7.339 8.150 -0.258 0.004 0.445 161 R N -4.042 116.332 120.500 -0.211 0.000 2.096 161 R HA -0.285 3.872 4.340 -0.305 0.000 0.235 161 R C 0.264 176.356 176.300 -0.346 0.000 1.127 161 R CA 3.209 59.098 56.100 -0.352 0.000 0.968 161 R CB 0.697 30.615 30.300 -0.636 0.000 0.861 161 R HN -0.756 7.278 8.270 -0.212 0.109 0.440 162 F N -5.257 114.539 119.950 -0.257 0.000 2.569 162 F HA 0.304 4.763 4.527 -0.113 0.000 0.312 162 F C -0.629 175.127 175.800 -0.074 0.000 1.109 162 F CA -1.030 56.885 58.000 -0.141 0.000 0.919 162 F CB 3.933 42.870 39.000 -0.106 0.000 1.211 162 F HN -0.534 7.745 8.300 -0.036 0.000 0.446 163 K N 5.662 126.148 120.400 0.144 0.000 2.211 163 K HA -0.182 4.356 4.320 0.062 -0.181 0.203 163 K C 1.341 178.041 176.600 0.166 0.000 1.050 163 K CA 2.327 58.683 56.287 0.114 0.000 0.945 163 K CB 0.630 33.181 32.500 0.085 0.000 0.732 163 K HN 0.077 8.362 8.250 0.059 0.000 0.451 164 Y N -0.046 120.367 120.300 0.189 0.000 2.097 164 Y HA -0.411 4.185 4.550 0.076 0.000 0.282 164 Y C 1.357 177.259 175.900 0.003 0.000 1.152 164 Y CA 3.350 61.495 58.100 0.075 0.000 1.136 164 Y CB -0.769 37.692 38.460 0.001 0.000 0.975 164 Y HN 0.140 8.920 8.280 0.588 -0.148 0.498 165 I N -1.507 118.713 120.570 -0.584 0.000 2.226 165 I HA -0.590 2.943 4.170 -1.062 0.000 0.245 165 I C 1.791 177.718 176.117 -0.317 0.000 1.100 165 I CA 3.590 64.507 61.300 -0.638 0.000 1.374 165 I CB -0.443 37.365 38.000 -0.321 0.000 1.057 165 I HN -0.342 7.791 8.210 -0.129 0.000 0.413 166 E N 0.604 120.696 120.200 -0.180 0.000 2.085 166 E HA -0.502 3.673 4.350 -0.292 0.000 0.194 166 E C 2.273 178.710 176.600 -0.273 0.000 0.994 166 E CA 3.525 59.798 56.400 -0.212 0.000 0.801 166 E CB -0.201 29.471 29.700 -0.045 0.000 0.743 166 E HN -0.450 7.771 8.360 -0.101 0.079 0.453 167 R N -1.843 118.588 120.500 -0.115 0.000 2.070 167 R HA -0.343 3.939 4.340 -0.097 0.000 0.233 167 R C 2.622 178.891 176.300 -0.051 0.000 1.137 167 R CA 2.901 58.972 56.100 -0.048 0.000 0.945 167 R CB -0.472 29.892 30.300 0.106 0.000 0.845 167 R HN 0.380 8.412 8.270 -0.065 0.198 0.430 168 H N -0.418 118.534 119.070 -0.198 0.000 2.353 168 H HA -0.213 4.288 4.556 -0.091 0.000 0.300 168 H C 2.760 178.085 175.328 -0.005 0.000 1.090 168 H CA 3.717 59.706 56.048 -0.099 0.000 1.327 168 H CB -0.371 29.334 29.762 -0.095 0.000 1.383 168 H HN -0.400 7.960 8.280 0.133 0.000 0.508 169 V N -1.172 118.741 119.914 -0.001 0.000 2.358 169 V HA -0.393 3.824 4.120 0.162 0.000 0.246 169 V C 1.812 177.798 176.094 -0.180 0.000 1.047 169 V CA 2.874 65.149 62.300 -0.041 0.000 1.035 169 V CB -0.692 31.024 31.823 -0.177 0.000 0.658 169 V HN -0.086 8.048 8.190 -0.093 0.000 0.452 170 A N -0.976 121.583 122.820 -0.435 0.000 2.015 170 A HA -0.222 3.869 4.320 -0.382 0.000 0.219 170 A C 1.056 178.539 177.584 -0.168 0.000 1.163 170 A CA 2.398 54.205 52.037 -0.385 0.000 0.646 170 A CB -0.323 18.434 19.000 -0.405 0.000 0.806 170 A HN 0.237 7.921 8.150 -0.464 0.187 0.448 171 K N -3.572 116.698 120.400 -0.216 0.000 2.097 171 K HA -0.280 3.880 4.320 -0.268 0.000 0.206 171 K C 0.665 177.033 176.600 -0.386 0.000 1.049 171 K CA 1.909 57.986 56.287 -0.350 0.000 0.933 171 K CB 0.247 32.404 32.500 -0.571 0.000 0.717 171 K HN -0.286 7.725 8.250 -0.210 0.113 0.442 172 Y N -2.517 117.736 120.300 -0.079 0.000 2.452 172 Y HA -0.056 4.473 4.550 -0.035 0.000 0.348 172 Y C -0.016 175.897 175.900 0.023 0.000 0.985 172 Y CA 0.762 58.850 58.100 -0.021 0.000 1.214 172 Y CB -0.487 37.991 38.460 0.029 0.000 1.136 172 Y HN -0.865 7.421 8.280 0.022 0.007 0.523 173 V N 2.939 122.931 119.914 0.130 0.000 3.346 173 V HA -0.014 4.207 4.120 0.169 0.000 0.309 173 V C -0.764 175.402 176.094 0.120 0.000 1.457 173 V CA -0.047 62.332 62.300 0.131 0.000 1.069 173 V CB 1.001 32.879 31.823 0.091 0.000 0.944 173 V HN 0.317 8.552 8.190 0.076 0.000 0.449 174 A N -1.179 121.712 122.820 0.119 0.000 1.660 174 A HA 0.274 4.623 4.320 0.048 0.000 0.204 174 A C -0.366 177.264 177.584 0.077 0.000 1.880 174 A CA 0.709 52.789 52.037 0.071 0.000 1.437 174 A CB 0.702 19.729 19.000 0.044 0.000 1.444 174 A HN -0.544 7.646 8.150 0.159 0.056 0.360 175 T N -1.470 113.164 114.554 0.134 0.000 2.881 175 T HA 0.080 4.472 4.350 0.071 0.000 0.278 175 T C -1.363 173.404 174.700 0.110 0.000 0.982 175 T CA -1.481 60.694 62.100 0.127 0.000 0.989 175 T CB 1.436 70.410 68.868 0.176 0.000 1.058 175 T HN -0.515 7.829 8.240 0.174 0.000 0.529 176 N N 0.667 119.390 118.700 0.038 0.000 2.372 176 N HA 0.325 5.143 4.740 -0.048 -0.106 0.285 176 N C -1.426 174.038 175.510 -0.076 0.000 1.008 176 N CA -0.783 52.245 53.050 -0.036 0.000 0.880 176 N CB 2.223 40.690 38.487 -0.034 0.000 1.239 176 N HN -0.016 8.388 8.380 0.040 0.000 0.484 177 F N 5.457 125.147 119.950 -0.433 0.000 2.565 177 F HA 0.438 4.813 4.527 -0.255 0.000 0.313 177 F C -2.020 173.598 175.800 -0.304 0.000 1.091 177 F CA -1.812 55.930 58.000 -0.429 0.000 0.915 177 F CB 3.986 42.506 39.000 -0.799 0.000 1.208 177 F HN 0.629 8.780 8.300 -0.247 0.000 0.453 178 K N 3.883 123.624 120.400 -1.098 0.000 2.319 178 K HA 0.253 4.324 4.320 -0.652 -0.143 0.265 178 K C -1.539 174.069 176.600 -1.653 0.000 1.000 178 K CA -1.713 53.982 56.287 -0.987 0.000 0.943 178 K CB -1.104 31.087 32.500 -0.516 0.000 0.950 178 K HN 0.185 8.045 8.250 -0.650 0.000 0.485 179 P HA -0.060 4.191 4.420 -0.281 0.000 0.330 179 P C -2.026 175.167 177.300 -0.178 0.000 1.377 179 P CA -0.011 62.840 63.100 -0.414 0.000 0.793 179 P CB 0.420 32.011 31.700 -0.182 0.000 1.813 180 N N -5.526 113.187 118.700 0.022 0.000 2.823 180 N HA 0.019 4.793 4.740 0.056 0.000 0.251 180 N C 0.247 175.786 175.510 0.050 0.000 1.392 180 N CA -1.148 51.957 53.050 0.092 0.000 0.864 180 N CB 0.976 39.605 38.487 0.238 0.000 1.481 180 N HN -0.422 7.965 8.380 0.012 0.000 0.508 181 L N -1.160 120.090 121.223 0.044 0.000 2.353 181 L HA -0.225 4.117 4.340 0.003 0.000 0.220 181 L C 1.434 178.321 176.870 0.029 0.000 1.133 181 L CA 1.978 56.832 54.840 0.022 0.000 0.798 181 L CB -1.193 40.879 42.059 0.022 0.000 0.922 181 L HN 0.484 8.747 8.230 0.055 0.000 0.445 182 A N -0.413 122.440 122.820 0.056 0.000 1.883 182 A HA -0.363 3.964 4.320 0.012 0.000 0.217 182 A C 2.133 179.749 177.584 0.052 0.000 1.186 182 A CA 2.855 54.919 52.037 0.044 0.000 0.624 182 A CB -0.758 18.287 19.000 0.074 0.000 0.822 182 A HN -0.083 8.111 8.150 0.081 0.005 0.444 183 I N -2.162 118.454 120.570 0.077 0.000 2.252 183 I HA -0.506 3.722 4.170 0.097 0.000 0.245 183 I C 1.941 178.055 176.117 -0.005 0.000 1.102 183 I CA 3.921 65.246 61.300 0.042 0.000 1.385 183 I CB -0.058 37.930 38.000 -0.020 0.000 1.064 183 I HN -0.321 8.262 8.210 0.082 -0.324 0.414 184 I N 1.596 122.157 120.570 -0.015 0.000 2.052 184 I HA -0.511 3.623 4.170 -0.060 0.000 0.235 184 I C 2.239 178.339 176.117 -0.030 0.000 1.046 184 I CA 3.451 64.728 61.300 -0.038 0.000 1.308 184 I CB -0.744 37.234 38.000 -0.037 0.000 1.031 184 I HN -0.706 7.501 8.210 -0.005 0.000 0.395 185 S N -1.033 114.655 115.700 -0.020 0.000 2.368 185 S HA -0.278 4.179 4.470 -0.022 0.000 0.225 185 S C 2.501 177.093 174.600 -0.013 0.000 1.030 185 S CA 3.371 61.560 58.200 -0.018 0.000 0.999 185 S CB -0.488 62.704 63.200 -0.014 0.000 0.844 185 S HN -0.557 7.744 8.310 -0.015 0.000 0.459 186 L N 1.917 123.125 121.223 -0.025 0.000 2.083 186 L HA -0.275 4.029 4.340 -0.061 0.000 0.209 186 L C 1.381 178.265 176.870 0.023 0.000 1.083 186 L CA 2.995 57.803 54.840 -0.053 0.000 0.752 186 L CB -0.747 41.244 42.059 -0.113 0.000 0.899 186 L HN -0.264 7.945 8.230 -0.023 0.007 0.433 187 E N -0.027 120.197 120.200 0.040 0.000 2.051 187 E HA -0.463 4.010 4.350 0.206 0.000 0.192 187 E C 2.317 179.050 176.600 0.222 0.000 0.991 187 E CA 3.459 59.944 56.400 0.141 0.000 0.799 187 E CB -0.096 29.626 29.700 0.038 0.000 0.748 187 E HN 0.734 8.881 8.360 0.004 0.216 0.449 188 N N -1.362 117.385 118.700 0.079 0.000 2.142 188 N HA -0.217 4.542 4.740 0.031 0.000 0.186 188 N C 2.732 178.255 175.510 0.022 0.000 1.023 188 N CA 2.590 55.659 53.050 0.031 0.000 0.852 188 N CB -0.261 38.212 38.487 -0.023 0.000 0.998 188 N HN -0.597 7.799 8.380 0.027 0.000 0.424 189 Q N -0.198 119.624 119.800 0.037 0.000 2.119 189 Q HA -0.150 4.170 4.340 -0.033 0.000 0.201 189 Q C 2.026 178.062 176.000 0.060 0.000 0.972 189 Q CA 2.295 58.105 55.803 0.012 0.000 0.847 189 Q CB -0.308 28.433 28.738 0.004 0.000 0.903 189 Q HN 0.162 8.455 8.270 0.038 0.000 0.433 190 W N 1.299 122.609 121.300 0.016 0.000 2.290 190 W HA -0.463 4.316 4.660 0.198 0.000 0.318 190 W C 1.103 177.696 176.519 0.124 0.000 1.248 190 W CA 3.966 61.400 57.345 0.149 0.000 1.263 190 W CB -0.900 28.716 29.460 0.260 0.000 1.147 190 W HN 0.474 8.724 8.180 0.294 0.107 0.494 191 S N -0.626 114.667 115.700 -0.677 0.000 2.356 191 S HA -0.468 3.132 4.470 -1.451 0.000 0.223 191 S C 1.842 176.187 174.600 -0.424 0.000 1.032 191 S CA 3.493 61.147 58.200 -0.910 0.000 1.005 191 S CB -0.736 62.072 63.200 -0.654 0.000 0.867 191 S HN -0.453 7.685 8.310 -0.282 0.002 0.449 192 A N 1.509 124.175 122.820 -0.257 0.000 1.898 192 A HA -0.128 4.086 4.320 -0.176 0.000 0.216 192 A C 2.058 179.519 177.584 -0.205 0.000 1.181 192 A CA 2.528 54.453 52.037 -0.188 0.000 0.620 192 A CB -0.727 18.187 19.000 -0.143 0.000 0.819 192 A HN -0.676 7.269 8.150 -0.218 0.075 0.442 193 L N -1.232 119.879 121.223 -0.186 0.000 2.109 193 L HA -0.211 3.975 4.340 -0.537 -0.169 0.207 193 L C 1.998 178.805 176.870 -0.105 0.000 1.086 193 L CA 2.660 57.349 54.840 -0.251 0.000 0.760 193 L CB 0.272 42.286 42.059 -0.075 0.000 0.910 193 L HN 0.525 8.566 8.230 -0.131 0.110 0.437 194 S N -0.277 115.428 115.700 0.007 0.000 2.348 194 S HA -0.483 4.120 4.470 0.222 0.000 0.221 194 S C 1.709 176.484 174.600 0.292 0.000 1.033 194 S CA 4.544 62.844 58.200 0.166 0.000 1.010 194 S CB -0.210 63.064 63.200 0.122 0.000 0.891 194 S HN 0.551 8.697 8.310 -0.077 0.117 0.442 195 K N 0.208 120.692 120.400 0.140 0.000 2.097 195 K HA -0.344 4.131 4.320 0.258 0.000 0.206 195 K C 2.319 179.066 176.600 0.246 0.000 1.049 195 K CA 2.839 59.231 56.287 0.175 0.000 0.933 195 K CB -0.593 31.882 32.500 -0.042 0.000 0.717 195 K HN -0.645 7.586 8.250 -0.032 0.000 0.442 196 Q N -0.900 118.940 119.800 0.068 0.000 2.226 196 Q HA -0.291 4.136 4.340 0.145 0.000 0.204 196 Q C 2.440 178.628 176.000 0.313 0.000 0.975 196 Q CA 2.830 58.669 55.803 0.061 0.000 0.866 196 Q CB -0.100 28.396 28.738 -0.404 0.000 0.915 196 Q HN -0.647 7.590 8.270 -0.047 0.006 0.440 197 I N 0.264 121.006 120.570 0.286 0.000 2.208 197 I HA -0.503 4.009 4.170 0.570 0.000 0.245 197 I C 1.938 178.225 176.117 0.284 0.000 1.097 197 I CA 3.941 65.448 61.300 0.344 0.000 1.363 197 I CB -0.535 37.541 38.000 0.127 0.000 1.051 197 I HN 0.111 8.281 8.210 0.177 0.147 0.413 198 F N -2.173 117.903 119.950 0.209 0.000 2.161 198 F HA -0.352 4.288 4.527 0.189 0.000 0.300 198 F C 2.819 178.717 175.800 0.163 0.000 1.089 198 F CA 4.121 62.224 58.000 0.171 0.000 1.282 198 F CB -0.657 38.410 39.000 0.112 0.000 1.010 198 F HN -0.792 7.838 8.300 0.690 0.083 0.485 199 L N -1.212 120.237 121.223 0.377 0.000 2.141 199 L HA -0.427 4.042 4.340 0.215 0.000 0.209 199 L C 1.906 178.928 176.870 0.254 0.000 1.094 199 L CA 2.378 57.380 54.840 0.268 0.000 0.763 199 L CB -0.790 41.420 42.059 0.251 0.000 0.908 199 L HN -0.466 7.921 8.230 0.417 0.093 0.437 200 A N -1.792 121.227 122.820 0.333 0.000 2.084 200 A HA -0.331 4.221 4.320 0.135 -0.151 0.221 200 A C 1.744 179.428 177.584 0.167 0.000 1.161 200 A CA 2.515 54.694 52.037 0.236 0.000 0.653 200 A CB -0.740 18.444 19.000 0.308 0.000 0.802 200 A HN 0.570 8.747 8.150 0.426 0.228 0.457 201 Q N -3.321 116.570 119.800 0.152 0.000 2.124 201 Q HA -0.316 3.996 4.340 -0.047 0.000 0.202 201 Q C 1.675 177.695 176.000 0.034 0.000 0.977 201 Q CA 2.678 58.502 55.803 0.035 0.000 0.850 201 Q CB 0.078 28.833 28.738 0.029 0.000 0.901 201 Q HN -0.488 7.744 8.270 0.201 0.159 0.429 202 N N -3.624 115.114 118.700 0.065 0.000 2.280 202 N HA 0.085 4.842 4.740 0.029 0.000 0.192 202 N C 0.252 175.788 175.510 0.043 0.000 1.109 202 N CA 0.813 53.891 53.050 0.046 0.000 0.855 202 N CB 0.260 38.779 38.487 0.054 0.000 0.974 202 N HN -0.320 8.016 8.380 0.098 0.103 0.482 203 Q N -2.020 117.810 119.800 0.049 0.000 2.319 203 Q HA 0.107 4.464 4.340 0.029 0.000 0.202 203 Q C 1.258 177.257 176.000 -0.001 0.000 0.896 203 Q CA -0.411 55.408 55.803 0.027 0.000 0.942 203 Q CB 0.394 29.149 28.738 0.028 0.000 1.083 203 Q HN -0.829 7.288 8.270 0.067 0.194 0.510 204 G N -0.974 107.829 108.800 0.006 0.000 2.168 204 G HA2 -0.347 3.614 3.960 0.001 0.000 0.263 204 G HA3 -0.347 3.608 3.960 -0.007 0.000 0.263 204 G C -0.082 174.810 174.900 -0.013 0.000 0.977 204 G CA 0.722 45.821 45.100 -0.003 0.000 0.659 204 G HN -0.278 7.960 8.290 0.018 0.063 0.533 205 G N -4.757 104.022 108.800 -0.035 0.000 2.227 205 G HA2 -0.306 3.614 3.960 -0.068 0.000 0.168 205 G HA3 -0.306 3.608 3.960 -0.077 0.000 0.168 205 G C -1.787 172.935 174.900 -0.298 0.000 1.006 205 G CA -0.279 44.756 45.100 -0.109 0.000 0.684 205 G HN -0.322 7.877 8.290 -0.024 0.076 0.489 206 K N 0.898 121.154 120.400 -0.240 0.000 2.156 206 K HA 0.612 4.814 4.320 -0.394 -0.118 0.250 206 K C -1.747 174.694 176.600 -0.266 0.000 0.955 206 K CA -2.398 53.719 56.287 -0.283 0.000 0.855 206 K CB 2.565 35.006 32.500 -0.097 0.000 1.101 206 K HN -0.804 7.238 8.250 -0.128 0.131 0.434 207 F N 1.211 121.190 119.950 0.049 0.000 2.420 207 F HA 0.304 4.868 4.527 0.062 0.000 0.342 207 F C 1.254 177.078 175.800 0.041 0.000 1.113 207 F CA -1.544 56.486 58.000 0.051 0.000 1.059 207 F CB 1.287 40.316 39.000 0.049 0.000 1.128 207 F HN 0.070 8.298 8.300 -0.120 0.000 0.475 208 R N 3.646 124.291 120.500 0.242 0.000 2.096 208 R HA -0.284 4.122 4.340 0.109 0.000 0.235 208 R C -1.085 175.289 176.300 0.123 0.000 1.127 208 R CA 2.238 58.421 56.100 0.137 0.000 0.968 208 R CB 0.161 30.524 30.300 0.104 0.000 0.861 208 R HN 0.379 8.812 8.270 0.273 0.000 0.440 209 N N -0.677 118.101 118.700 0.132 0.000 2.446 209 N HA 0.335 5.116 4.740 0.069 0.000 0.265 209 N C -2.371 173.202 175.510 0.105 0.000 0.975 209 N CA -1.922 51.177 53.050 0.081 0.000 0.928 209 N CB 0.534 39.038 38.487 0.030 0.000 1.160 209 N HN -0.650 7.819 8.380 0.159 0.005 0.495 210 P HA -0.131 4.432 4.420 0.239 0.000 0.269 210 P C -1.401 175.937 177.300 0.063 0.000 1.217 210 P CA -0.318 62.863 63.100 0.135 0.000 0.783 210 P CB 0.480 32.239 31.700 0.098 0.000 0.898 211 V N 1.777 121.733 119.914 0.070 0.000 2.448 211 V HA 0.128 4.229 4.120 -0.032 0.000 0.295 211 V C -1.422 174.688 176.094 0.028 0.000 1.025 211 V CA -0.663 61.635 62.300 -0.005 0.000 0.859 211 V CB 2.745 34.516 31.823 -0.086 0.000 0.988 211 V HN 0.855 9.138 8.190 0.154 0.000 0.431 212 D N 8.026 128.431 120.400 0.008 0.000 2.303 212 D HA 0.357 5.018 4.640 0.035 0.000 0.236 212 D C -0.874 175.431 176.300 0.008 0.000 1.068 212 D CA -0.322 53.687 54.000 0.015 0.000 0.830 212 D CB 1.177 41.977 40.800 0.000 0.000 1.109 212 D HN -0.015 8.350 8.370 -0.009 0.000 0.496 213 L N -1.400 119.836 121.223 0.022 0.000 2.218 213 L HA 0.738 5.075 4.340 -0.005 0.000 0.243 213 L C -1.729 175.154 176.870 0.021 0.000 1.132 213 L CA -1.940 52.902 54.840 0.004 0.000 1.052 213 L CB 2.643 44.691 42.059 -0.019 0.000 1.599 213 L HN 0.072 8.330 8.230 0.046 0.000 0.468 214 I N -2.263 118.305 120.570 -0.004 0.000 2.466 214 I HA 0.346 4.674 4.170 0.082 -0.108 0.289 214 I C -0.646 175.449 176.117 -0.036 0.000 1.026 214 I CA -1.106 60.207 61.300 0.022 0.000 1.078 214 I CB 2.820 40.830 38.000 0.018 0.000 1.249 214 I HN 0.149 8.337 8.210 -0.037 0.000 0.429 215 K N 5.478 125.875 120.400 -0.005 0.000 2.258 215 K HA 0.210 4.396 4.320 -0.223 0.000 0.264 215 K C -0.348 176.186 176.600 -0.111 0.000 1.007 215 K CA -1.488 54.723 56.287 -0.127 0.000 0.941 215 K CB -0.874 31.531 32.500 -0.158 0.000 0.966 215 K HN -0.134 8.182 8.250 0.110 0.000 0.480 216 P HA -0.102 4.323 4.420 0.009 0.000 0.223 216 P C -0.101 177.239 177.300 0.066 0.000 1.144 216 P CA 1.634 64.707 63.100 -0.044 0.000 0.783 216 P CB -0.404 31.264 31.700 -0.053 0.000 0.771 217 T N -3.084 111.481 114.554 0.017 0.000 2.746 217 T HA -0.181 4.203 4.350 0.057 0.000 0.267 217 T C 0.963 175.706 174.700 0.072 0.000 1.039 217 T CA 1.717 63.843 62.100 0.042 0.000 1.142 217 T CB 0.048 68.919 68.868 0.004 0.000 0.866 217 T HN -0.384 7.778 8.240 -0.042 0.053 0.444 218 G N -0.603 108.242 108.800 0.075 0.000 2.148 218 G HA2 -0.201 3.807 3.960 0.081 0.000 0.120 218 G HA3 -0.201 3.809 3.960 0.084 0.000 0.120 218 G C -1.662 173.293 174.900 0.091 0.000 1.034 218 G CA -0.291 44.859 45.100 0.083 0.000 0.710 218 G HN -0.504 7.815 8.290 0.060 0.007 0.495 219 E N -1.340 118.937 120.200 0.130 0.000 2.359 219 E HA 0.249 4.663 4.350 0.106 0.000 0.266 219 E C -2.127 174.600 176.600 0.213 0.000 0.920 219 E CA -2.135 54.372 56.400 0.179 0.000 0.788 219 E CB 3.790 33.681 29.700 0.319 0.000 1.279 219 E HN -0.593 7.842 8.360 0.124 0.000 0.438 220 R N 1.266 121.823 120.500 0.094 0.000 2.297 220 R HA 0.192 4.716 4.340 0.105 -0.121 0.308 220 R C -0.841 175.432 176.300 -0.045 0.000 1.029 220 R CA 0.049 56.178 56.100 0.048 0.000 0.929 220 R CB 0.941 31.218 30.300 -0.039 0.000 1.046 220 R HN 0.293 8.570 8.270 0.013 0.000 0.461 221 F N 5.614 125.550 119.950 -0.023 0.000 2.613 221 F HA 0.285 4.805 4.527 -0.011 0.000 0.314 221 F C -1.596 174.199 175.800 -0.009 0.000 1.075 221 F CA -1.072 56.918 58.000 -0.016 0.000 0.945 221 F CB 5.294 44.281 39.000 -0.022 0.000 1.310 221 F HN 0.122 8.556 8.300 0.224 0.000 0.467 222 Q N 0.795 120.693 119.800 0.163 0.000 2.271 222 Q HA 0.279 4.769 4.340 0.082 -0.100 0.258 222 Q C -1.069 175.015 176.000 0.140 0.000 0.936 222 Q CA -0.681 55.186 55.803 0.107 0.000 0.909 222 Q CB 1.497 30.270 28.738 0.058 0.000 1.253 222 Q HN 0.181 8.552 8.270 0.169 0.000 0.440 223 V N 5.032 125.025 119.914 0.132 0.000 2.495 223 V HA 0.314 4.518 4.120 0.139 0.000 0.298 223 V C -1.102 175.132 176.094 0.234 0.000 1.031 223 V CA -1.239 61.157 62.300 0.161 0.000 0.871 223 V CB 2.702 34.619 31.823 0.157 0.000 0.988 223 V HN 0.896 9.154 8.190 0.112 0.000 0.432 224 T N 4.522 119.211 114.554 0.225 0.000 3.058 224 T HA 0.123 4.777 4.350 0.506 0.000 0.278 224 T C -1.994 172.733 174.700 0.045 0.000 0.974 224 T CA -0.663 61.613 62.100 0.293 0.000 0.893 224 T CB 0.242 69.197 68.868 0.144 0.000 1.138 224 T HN 0.435 8.762 8.240 0.145 0.000 0.529 225 N N -1.781 116.851 118.700 -0.113 0.000 2.853 225 N HA 0.424 4.637 4.740 -1.032 -0.092 0.258 225 N C 1.191 176.510 175.510 -0.318 0.000 1.444 225 N CA -1.613 51.149 53.050 -0.479 0.000 0.837 225 N CB 1.844 40.188 38.487 -0.239 0.000 1.489 225 N HN -0.805 7.607 8.380 0.053 0.000 0.529 226 V N -5.352 114.363 119.914 -0.331 0.000 2.759 226 V HA -0.179 3.879 4.120 -0.104 0.000 0.256 226 V C 1.517 177.560 176.094 -0.086 0.000 1.080 226 V CA 2.880 65.081 62.300 -0.166 0.000 1.101 226 V CB -0.209 31.510 31.823 -0.173 0.000 0.698 226 V HN 0.076 8.032 8.190 -0.390 0.000 0.477 227 D N -0.804 119.548 120.400 -0.079 0.000 2.228 227 D HA -0.319 4.297 4.640 -0.040 0.000 0.203 227 D C 0.356 176.640 176.300 -0.026 0.000 0.988 227 D CA 2.474 56.448 54.000 -0.044 0.000 0.864 227 D CB -0.439 40.339 40.800 -0.037 0.000 0.928 227 D HN 0.326 8.645 8.370 -0.109 -0.014 0.469 228 S N -1.429 114.267 115.700 -0.008 0.000 2.569 228 S HA -0.209 4.257 4.470 -0.005 0.000 0.274 228 S C 0.683 175.281 174.600 -0.004 0.000 1.353 228 S CA 0.567 58.773 58.200 0.010 0.000 1.023 228 S CB 1.147 64.387 63.200 0.067 0.000 0.876 228 S HN -0.648 7.633 8.310 -0.010 0.023 0.540 229 D N 1.314 121.699 120.400 -0.026 0.000 2.178 229 D HA -0.181 4.445 4.640 -0.025 0.000 0.202 229 D C 1.729 178.034 176.300 0.009 0.000 0.974 229 D CA 2.334 56.316 54.000 -0.031 0.000 0.841 229 D CB -0.109 40.646 40.800 -0.075 0.000 0.953 229 D HN 0.443 8.787 8.370 -0.043 0.000 0.478 230 V N -0.945 118.985 119.914 0.027 0.000 2.287 230 V HA -0.361 3.856 4.120 0.161 0.000 0.248 230 V C 1.103 177.316 176.094 0.197 0.000 1.053 230 V CA 3.747 66.131 62.300 0.140 0.000 1.027 230 V CB 0.191 32.087 31.823 0.122 0.000 0.646 230 V HN -0.555 7.619 8.190 0.003 0.018 0.447 231 V N -5.167 114.814 119.914 0.112 0.000 2.970 231 V HA -0.247 3.890 4.120 0.028 0.000 0.260 231 V C 0.760 176.808 176.094 -0.076 0.000 1.100 231 V CA 1.052 63.358 62.300 0.010 0.000 1.122 231 V CB -1.021 30.785 31.823 -0.028 0.000 0.721 231 V HN -0.789 7.463 8.190 0.103 0.000 0.483 232 K N 0.080 120.464 120.400 -0.027 0.000 2.633 232 K HA -0.104 4.176 4.320 -0.066 0.000 0.283 232 K C 1.569 178.154 176.600 -0.025 0.000 1.081 232 K CA 0.700 56.965 56.287 -0.036 0.000 0.923 232 K CB 0.219 32.713 32.500 -0.011 0.000 1.110 232 K HN -0.992 7.108 8.250 0.007 0.154 0.480 233 G N -1.850 106.947 108.800 -0.006 0.000 2.780 233 G HA2 -0.194 3.754 3.960 -0.019 0.000 0.205 233 G HA3 -0.194 3.771 3.960 0.008 0.000 0.205 233 G C 0.044 174.959 174.900 0.024 0.000 1.158 233 G CA 1.329 46.429 45.100 -0.000 0.000 0.812 233 G HN 0.361 8.649 8.290 -0.003 0.000 0.521 234 N N -0.148 118.590 118.700 0.063 0.000 2.415 234 N HA -0.046 4.805 4.740 0.185 0.000 0.176 234 N C -1.283 174.238 175.510 0.018 0.000 1.042 234 N CA 0.483 53.640 53.050 0.179 0.000 0.902 234 N CB 0.700 39.376 38.487 0.314 0.000 0.986 234 N HN -0.369 7.875 8.380 0.053 0.167 0.447 235 I N -0.460 120.026 120.570 -0.141 0.000 2.330 235 I HA 0.080 3.641 4.170 -1.014 0.000 0.289 235 I C -1.044 174.905 176.117 -0.279 0.000 1.001 235 I CA -0.081 60.947 61.300 -0.454 0.000 1.193 235 I CB 0.734 38.567 38.000 -0.278 0.000 1.345 235 I HN -0.514 7.629 8.210 -0.057 0.033 0.461 236 K N 7.473 127.690 120.400 -0.304 0.000 2.629 236 K HA 0.071 4.326 4.320 -0.108 0.000 0.239 236 K C -0.462 176.074 176.600 -0.107 0.000 1.102 236 K CA 0.241 56.438 56.287 -0.149 0.000 1.019 236 K CB 1.023 33.459 32.500 -0.106 0.000 1.481 236 K HN 0.126 8.095 8.250 -0.468 0.000 0.455 237 L N -4.063 117.115 121.223 -0.076 0.000 2.395 237 L HA 0.207 4.802 4.340 0.020 -0.242 0.269 237 L C -0.089 176.820 176.870 0.065 0.000 1.133 237 L CA -0.161 54.688 54.840 0.015 0.000 0.812 237 L CB 0.713 42.817 42.059 0.074 0.000 1.125 237 L HN -0.165 8.007 8.230 -0.097 0.000 0.452 238 L N -0.648 120.674 121.223 0.165 0.000 2.354 238 L HA 0.278 4.872 4.340 0.424 0.000 0.264 238 L C -1.308 175.836 176.870 0.457 0.000 1.008 238 L CA -1.492 53.547 54.840 0.331 0.000 0.819 238 L CB 4.542 46.725 42.059 0.207 0.000 1.339 238 L HN -0.299 8.021 8.230 0.149 0.000 0.420 239 L N 0.329 121.856 121.223 0.507 0.000 2.283 239 L HA 0.052 4.582 4.340 0.317 0.000 0.287 239 L C -0.948 176.045 176.870 0.205 0.000 1.073 239 L CA -0.134 54.903 54.840 0.327 0.000 0.822 239 L CB 0.440 42.609 42.059 0.184 0.000 1.186 239 L HN 0.219 8.802 8.230 0.588 0.000 0.436 240 N N 5.545 124.297 118.700 0.087 0.000 2.188 240 N HA -0.219 3.766 4.740 -1.258 0.000 0.184 240 N C 0.139 175.443 175.510 -0.344 0.000 1.018 240 N CA 1.618 54.409 53.050 -0.432 0.000 0.858 240 N CB 0.659 38.980 38.487 -0.277 0.000 0.989 240 N HN -0.096 8.382 8.380 0.163 0.000 0.426 241 S N -3.274 112.346 115.700 -0.133 0.000 3.420 241 S HA -0.404 4.031 4.470 -0.059 0.000 0.367 241 S C -1.201 173.311 174.600 -0.146 0.000 1.063 241 S CA 1.405 59.536 58.200 -0.115 0.000 1.073 241 S CB -1.125 61.994 63.200 -0.136 0.000 0.905 241 S HN 0.017 8.292 8.310 -0.040 0.011 0.485 242 R N 0.481 120.888 120.500 -0.155 0.000 2.207 242 R HA -0.036 4.214 4.340 -0.151 0.000 0.334 242 R C -1.995 174.265 176.300 -0.067 0.000 1.013 242 R CA 0.120 56.135 56.100 -0.141 0.000 0.858 242 R CB 0.421 30.613 30.300 -0.180 0.000 1.094 242 R HN -0.222 7.944 8.270 -0.136 0.022 0.457 243 A N 4.971 127.753 122.820 -0.063 0.000 2.418 243 A HA 0.221 4.519 4.320 -0.038 0.000 0.204 243 A C 0.376 177.930 177.584 -0.050 0.000 1.744 243 A CA 0.293 52.302 52.037 -0.046 0.000 1.159 243 A CB 0.469 19.444 19.000 -0.041 0.000 1.020 243 A HN 0.565 8.670 8.150 -0.074 0.000 0.451 244 S N 0.570 116.238 115.700 -0.053 0.000 2.382 244 S HA -0.312 4.129 4.470 -0.049 0.000 0.228 244 S C 1.274 175.849 174.600 -0.043 0.000 1.027 244 S CA 2.477 60.649 58.200 -0.048 0.000 0.991 244 S CB -0.660 62.513 63.200 -0.045 0.000 0.823 244 S HN 0.311 8.585 8.310 -0.060 0.000 0.469 245 T N -1.830 112.701 114.554 -0.037 0.000 3.007 245 T HA -0.187 4.149 4.350 -0.023 0.000 0.270 245 T C 1.163 175.840 174.700 -0.038 0.000 1.107 245 T CA 2.299 64.383 62.100 -0.027 0.000 1.118 245 T CB -0.979 67.880 68.868 -0.016 0.000 0.889 245 T HN 0.023 8.230 8.240 -0.039 0.009 0.506 246 A N 1.321 124.112 122.820 -0.048 0.000 2.216 246 A HA -0.222 4.061 4.320 -0.061 0.000 0.214 246 A C 1.700 179.225 177.584 -0.099 0.000 1.160 246 A CA 1.682 53.679 52.037 -0.066 0.000 0.725 246 A CB -0.902 18.061 19.000 -0.061 0.000 0.784 246 A HN -0.053 7.934 8.150 -0.045 0.136 0.472 247 D N 0.099 120.447 120.400 -0.087 0.000 2.123 247 D HA -0.205 4.373 4.640 -0.103 0.000 0.196 247 D C 1.657 177.858 176.300 -0.165 0.000 0.992 247 D CA 2.543 56.481 54.000 -0.104 0.000 0.833 247 D CB -0.421 40.337 40.800 -0.071 0.000 0.954 247 D HN -0.089 8.023 8.370 -0.066 0.218 0.455 248 E N -3.070 117.034 120.200 -0.159 0.000 2.409 248 E HA -0.136 4.052 4.350 -0.271 0.000 0.198 248 E C -0.306 175.909 176.600 -0.642 0.000 1.024 248 E CA 0.444 56.681 56.400 -0.273 0.000 0.861 248 E CB 0.223 29.902 29.700 -0.035 0.000 0.788 248 E HN -0.653 7.643 8.360 -0.098 0.005 0.521 249 N N -4.409 114.057 118.700 -0.390 0.000 2.710 249 N HA -0.417 4.234 4.740 -0.208 -0.036 0.249 249 N C -1.433 173.838 175.510 -0.398 0.000 1.059 249 N CA 1.785 54.602 53.050 -0.388 0.000 0.720 249 N CB -1.439 36.782 38.487 -0.445 0.000 0.983 249 N HN -0.006 8.084 8.380 -0.234 0.150 0.544 250 F N -4.906 115.032 119.950 -0.021 0.000 2.182 250 F HA 0.160 4.698 4.527 -0.020 -0.023 0.254 250 F C 1.805 177.593 175.800 -0.021 0.000 0.972 250 F CA 0.730 58.718 58.000 -0.019 0.000 1.182 250 F CB 0.301 39.292 39.000 -0.016 0.000 1.382 250 F HN -0.814 7.434 8.300 -0.061 0.015 0.718 251 I N -3.731 116.952 120.570 0.188 0.000 2.462 251 I HA -0.393 3.826 4.170 0.082 0.000 0.259 251 I C -1.292 174.860 176.117 0.057 0.000 1.156 251 I CA 2.983 64.337 61.300 0.089 0.000 1.417 251 I CB -0.005 38.029 38.000 0.055 0.000 1.088 251 I HN 0.114 8.447 8.210 0.205 0.000 0.442 252 T N -6.601 107.985 114.554 0.053 0.000 2.908 252 T HA 0.015 4.367 4.350 0.004 0.000 0.290 252 T C -0.587 174.138 174.700 0.040 0.000 1.034 252 T CA -1.432 60.677 62.100 0.014 0.000 1.010 252 T CB 3.124 71.977 68.868 -0.025 0.000 1.068 252 T HN -0.899 7.388 8.240 0.072 -0.004 0.481 253 T N 1.164 115.732 114.554 0.022 0.000 8.466 253 T HA -0.337 4.023 4.350 0.017 0.000 0.319 253 T C -0.392 174.368 174.700 0.100 0.000 2.022 253 T CA 3.078 65.205 62.100 0.045 0.000 3.147 253 T CB -0.200 68.688 68.868 0.033 0.000 2.153 253 T HN 0.556 8.793 8.240 -0.004 0.000 1.109 254 M N -1.963 117.711 119.600 0.123 0.000 2.306 254 M HA 0.187 4.714 4.480 0.077 0.000 0.292 254 M C 0.480 176.803 176.300 0.038 0.000 1.018 254 M CA -0.494 54.864 55.300 0.097 0.000 1.007 254 M CB 0.528 33.198 32.600 0.117 0.000 1.510 254 M HN -0.175 8.045 8.290 0.111 0.137 0.537 255 T N 1.812 116.384 114.554 0.031 0.000 2.836 255 T HA -0.328 4.029 4.350 0.011 0.000 0.268 255 T C 0.303 175.004 174.700 0.001 0.000 1.080 255 T CA 1.635 63.740 62.100 0.009 0.000 1.128 255 T CB -0.000 68.865 68.868 -0.004 0.000 0.839 255 T HN -0.252 7.952 8.240 0.037 0.058 0.507 256 L N -2.075 119.150 121.223 0.002 0.000 4.597 256 L HA -0.338 3.999 4.340 -0.005 0.000 0.573 256 L C 0.458 177.323 176.870 -0.009 0.000 0.951 256 L CA 0.038 54.874 54.840 -0.006 0.000 0.522 256 L CB 0.246 42.298 42.059 -0.013 0.000 0.470 256 L HN -0.237 7.916 8.230 0.012 0.084 1.134 257 L N 2.042 123.259 121.223 -0.009 0.000 2.502 257 L HA -0.365 3.970 4.340 -0.008 0.000 0.224 257 L C 1.023 177.888 176.870 -0.009 0.000 1.131 257 L CA 1.903 56.738 54.840 -0.009 0.000 0.789 257 L CB -0.366 41.688 42.059 -0.009 0.000 0.907 257 L HN 0.403 8.628 8.230 -0.009 0.000 0.445 258 G N -3.392 105.402 108.800 -0.011 0.000 2.545 258 G HA2 -0.425 3.528 3.960 -0.012 0.000 0.222 258 G HA3 -0.425 3.525 3.960 -0.017 0.000 0.222 258 G C -0.481 174.413 174.900 -0.010 0.000 1.126 258 G CA 0.314 45.406 45.100 -0.013 0.000 0.754 258 G HN -0.252 7.905 8.290 -0.012 0.125 0.583 259 E N 0.303 120.498 120.200 -0.008 0.000 2.492 259 E HA -0.366 3.980 4.350 -0.005 0.000 0.266 259 E C -0.154 176.444 176.600 -0.003 0.000 1.187 259 E CA 0.864 57.262 56.400 -0.004 0.000 1.036 259 E CB 0.508 30.208 29.700 -0.001 0.000 0.994 259 E HN -0.379 7.959 8.360 -0.009 0.017 0.468 260 S N -0.805 114.894 115.700 -0.000 0.000 3.614 260 S HA -0.224 4.247 4.470 0.002 0.000 0.360 260 S C 0.107 174.706 174.600 -0.002 0.000 1.023 260 S CA 0.696 58.897 58.200 0.001 0.000 1.114 260 S CB -1.083 62.118 63.200 0.002 0.000 0.907 260 S HN 0.223 8.534 8.310 0.001 0.000 0.470 261 V N -1.253 118.659 119.914 -0.004 0.000 2.250 261 V HA -0.484 3.762 4.120 -0.008 -0.131 0.253 261 V C 1.799 177.890 176.094 -0.005 0.000 1.065 261 V CA 2.652 64.949 62.300 -0.006 0.000 1.039 261 V CB 0.019 31.837 31.823 -0.008 0.000 0.647 261 V HN -0.271 7.918 8.190 -0.004 -0.001 0.446 262 V N -1.514 118.398 119.914 -0.003 0.000 2.284 262 V HA -0.448 3.670 4.120 -0.003 0.000 0.248 262 V C 0.538 176.630 176.094 -0.003 0.000 1.022 262 V CA 2.508 64.806 62.300 -0.002 0.000 1.073 262 V CB -0.235 31.587 31.823 -0.001 0.000 0.713 262 V HN -0.038 8.151 8.190 -0.002 0.000 0.496 263 N N 0.000 118.699 118.700 -0.002 0.000 1.763 263 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 263 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 263 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 263 N HN 0.000 8.379 8.380 -0.001 0.000 0.667