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 1ghv_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.208 4.170 0.064 0.000 0.288 16 I C 0.000 176.146 176.117 0.048 0.000 1.063 16 I CA 0.000 61.329 61.300 0.048 0.000 1.566 16 I CB 0.000 38.013 38.000 0.022 0.000 1.214 17 V N 7.523 127.471 119.914 0.057 0.000 2.398 17 V HA 0.314 4.607 4.120 0.044 -0.146 0.286 17 V C 0.101 176.228 176.094 0.055 0.000 1.026 17 V CA -1.703 60.629 62.300 0.052 0.000 0.868 17 V CB 1.418 33.273 31.823 0.053 0.000 0.982 17 V HN 0.681 8.912 8.190 0.068 0.000 0.443 18 E N 2.313 122.539 120.200 0.043 0.000 2.416 18 E HA -0.391 3.976 4.350 0.028 0.000 0.249 18 E C -1.132 175.495 176.600 0.045 0.000 1.124 18 E CA 0.831 57.255 56.400 0.039 0.000 0.732 18 E CB -2.449 27.276 29.700 0.042 0.000 1.286 18 E HN 0.779 9.160 8.360 0.036 0.000 0.394 19 G N -3.920 104.902 108.800 0.037 0.000 2.735 19 G HA2 0.487 4.470 3.960 0.041 0.000 0.301 19 G HA3 0.487 4.500 3.960 0.025 -0.038 0.301 19 G C -1.623 173.286 174.900 0.016 0.000 1.279 19 G CA -1.034 44.084 45.100 0.030 0.000 1.019 19 G HN -0.532 7.777 8.290 0.032 0.000 0.497 20 S N -1.290 114.414 115.700 0.008 0.000 2.759 20 S HA 0.286 4.761 4.470 0.008 0.000 0.310 20 S C -1.279 173.317 174.600 -0.008 0.000 1.123 20 S CA -1.362 56.841 58.200 0.005 0.000 0.959 20 S CB 2.954 66.161 63.200 0.010 0.000 1.172 20 S HN 0.464 8.778 8.310 0.006 0.000 0.539 21 D N 1.095 121.495 120.400 0.001 0.000 2.390 21 D HA -0.043 4.840 4.640 -0.031 -0.262 0.249 21 D C 0.325 176.632 176.300 0.012 0.000 1.144 21 D CA 0.499 54.498 54.000 -0.001 0.000 0.880 21 D CB 0.414 41.231 40.800 0.029 0.000 1.182 21 D HN 0.112 8.488 8.370 0.010 0.000 0.451 22 A N 5.107 127.928 122.820 0.002 0.000 2.262 22 A HA -0.034 4.275 4.320 -0.018 0.000 0.273 22 A C -0.611 177.030 177.584 0.095 0.000 1.202 22 A CA -0.400 51.645 52.037 0.012 0.000 0.811 22 A CB 1.495 20.474 19.000 -0.036 0.000 1.159 22 A HN 0.524 8.647 8.150 -0.045 0.000 0.505 23 E N -2.093 118.124 120.200 0.029 0.000 2.232 23 E HA 0.177 4.535 4.350 0.013 0.000 0.264 23 E C -0.778 175.788 176.600 -0.058 0.000 0.973 23 E CA -2.071 54.326 56.400 -0.006 0.000 0.849 23 E CB 1.705 31.383 29.700 -0.037 0.000 1.198 23 E HN -0.054 8.293 8.360 -0.023 0.000 0.407 24 I N 0.761 121.245 120.570 -0.144 0.000 2.598 24 I HA -0.174 3.831 4.170 -0.276 0.000 0.284 24 I C 1.306 177.390 176.117 -0.055 0.000 1.140 24 I CA 1.042 62.240 61.300 -0.171 0.000 1.420 24 I CB -0.482 37.425 38.000 -0.154 0.000 1.387 24 I HN 0.265 8.397 8.210 -0.130 0.000 0.553 25 G N 5.562 114.355 108.800 -0.012 0.000 2.153 25 G HA2 -0.376 3.552 3.960 -0.053 0.000 0.252 25 G HA3 -0.376 3.531 3.960 -0.088 0.000 0.252 25 G C -0.095 174.659 174.900 -0.243 0.000 0.994 25 G CA 0.811 45.859 45.100 -0.086 0.000 0.698 25 G HN 0.135 8.435 8.290 0.018 0.000 0.521 26 M N -0.670 118.786 119.600 -0.239 0.000 2.132 26 M HA -0.212 4.086 4.480 -0.302 0.000 0.263 26 M C -0.350 175.591 176.300 -0.599 0.000 1.065 26 M CA 2.763 57.865 55.300 -0.329 0.000 1.122 26 M CB 0.869 33.339 32.600 -0.218 0.000 1.365 26 M HN -0.627 7.514 8.290 -0.159 0.054 0.411 27 S N -3.399 111.925 115.700 -0.627 0.000 2.080 27 S HA 0.494 3.991 4.470 -1.620 0.000 0.162 27 S C -1.755 172.178 174.600 -1.110 0.000 1.618 27 S CA -2.144 55.424 58.200 -1.053 0.000 1.200 27 S CB 0.396 63.275 63.200 -0.535 0.000 1.135 27 S HN -0.030 8.026 8.310 -0.422 0.000 0.455 28 P HA 0.164 4.505 4.420 -0.304 -0.103 0.239 28 P C -0.311 176.796 177.300 -0.321 0.000 1.184 28 P CA 1.419 64.192 63.100 -0.543 0.000 0.760 28 P CB 0.016 31.482 31.700 -0.390 0.000 0.884 29 W N -5.616 115.679 121.300 -0.008 0.000 3.278 29 W HA 0.285 5.023 4.660 0.042 -0.053 0.308 29 W C -0.861 175.691 176.519 0.054 0.000 1.253 29 W CA -3.390 53.969 57.345 0.024 0.000 1.759 29 W CB -1.313 28.151 29.460 0.007 0.000 1.093 29 W HN -0.484 6.534 8.180 -1.771 0.099 0.648 30 Q N 2.733 122.568 119.800 0.058 0.000 2.311 30 Q HA 0.035 4.513 4.340 0.230 0.000 0.272 30 Q C -1.199 174.939 176.000 0.229 0.000 1.012 30 Q CA 0.347 56.232 55.803 0.136 0.000 0.891 30 Q CB 0.155 28.852 28.738 -0.070 0.000 1.201 30 Q HN -0.276 7.670 8.270 -0.255 0.171 0.391 31 V N 5.224 125.307 119.914 0.281 0.000 2.960 31 V HA 0.362 4.757 4.120 0.273 -0.111 0.315 31 V C -1.391 174.928 176.094 0.375 0.000 1.087 31 V CA -1.745 60.729 62.300 0.289 0.000 0.982 31 V CB 3.822 35.785 31.823 0.233 0.000 1.039 31 V HN -0.088 8.261 8.190 0.267 0.000 0.437 32 M N 3.396 123.173 119.600 0.296 0.000 2.311 32 M HA 0.449 5.157 4.480 0.381 0.000 0.325 32 M C -2.065 174.349 176.300 0.191 0.000 1.061 32 M CA -1.242 54.211 55.300 0.255 0.000 0.957 32 M CB 3.658 36.245 32.600 -0.020 0.000 1.646 32 M HN 0.117 8.533 8.290 0.210 0.000 0.434 33 L N 5.511 126.852 121.223 0.196 0.000 2.264 33 L HA 0.454 5.024 4.340 0.157 -0.135 0.289 33 L C -1.848 175.145 176.870 0.204 0.000 1.044 33 L CA -0.872 54.065 54.840 0.162 0.000 0.807 33 L CB 0.792 42.916 42.059 0.108 0.000 1.192 33 L HN 0.739 9.096 8.230 0.211 0.000 0.425 34 F N 5.400 125.353 119.950 0.005 0.000 2.482 34 F HA 0.787 5.477 4.527 -0.019 -0.175 0.331 34 F C -1.947 173.844 175.800 -0.015 0.000 1.115 34 F CA -2.024 55.966 58.000 -0.016 0.000 0.955 34 F CB 4.282 43.263 39.000 -0.032 0.000 1.136 34 F HN 1.002 9.346 8.300 0.250 0.105 0.452 35 R N 5.111 125.325 120.500 -0.477 0.000 2.562 35 R HA 0.580 4.997 4.340 -0.159 -0.173 0.217 35 R C 0.233 176.296 176.300 -0.394 0.000 1.234 35 R CA -1.648 54.258 56.100 -0.324 0.000 1.027 35 R CB 2.360 32.481 30.300 -0.299 0.000 1.525 35 R HN 0.588 8.399 8.270 -0.764 0.000 0.527 36 S N -0.910 114.721 115.700 -0.115 0.000 2.488 36 S HA 0.115 4.589 4.470 -0.099 -0.064 0.278 36 S C -1.060 173.481 174.600 -0.099 0.000 1.259 36 S CA -0.665 57.478 58.200 -0.094 0.000 1.061 36 S CB 0.072 63.236 63.200 -0.059 0.000 0.910 36 S HN -0.373 7.870 8.310 -0.112 0.000 0.491 37 P HA -0.048 4.322 4.420 -0.084 0.000 0.268 37 P C -1.802 175.377 177.300 -0.201 0.000 1.208 37 P CA -0.335 62.698 63.100 -0.112 0.000 0.777 37 P CB 0.713 32.360 31.700 -0.088 0.000 0.875 38 Q N 0.495 120.179 119.800 -0.194 0.000 2.296 38 Q HA 0.029 4.269 4.340 -0.629 -0.278 0.263 38 Q C -0.638 175.063 176.000 -0.498 0.000 1.026 38 Q CA 0.176 55.741 55.803 -0.396 0.000 0.912 38 Q CB 0.281 29.019 28.738 0.000 0.000 1.198 38 Q HN 0.208 8.414 8.270 -0.107 0.000 0.407 39 E N 2.497 122.149 120.200 -0.912 0.000 2.423 39 E HA 0.233 4.464 4.350 -0.198 0.000 0.280 39 E C -2.689 173.675 176.600 -0.394 0.000 1.030 39 E CA -2.043 54.087 56.400 -0.451 0.000 0.812 39 E CB 2.485 32.059 29.700 -0.211 0.000 1.313 39 E HN -0.064 7.519 8.360 -1.295 0.000 0.456 40 L N 0.588 121.795 121.223 -0.027 0.000 2.331 40 L HA 0.119 4.580 4.340 0.202 0.000 0.278 40 L C -1.277 175.614 176.870 0.035 0.000 1.106 40 L CA 0.785 55.686 54.840 0.102 0.000 0.824 40 L CB 0.592 42.731 42.059 0.135 0.000 1.142 40 L HN 0.190 8.430 8.230 0.018 0.000 0.443 41 L N 6.741 127.995 121.223 0.052 0.000 2.488 41 L HA -0.106 4.241 4.340 0.012 0.000 0.186 41 L C -0.750 176.161 176.870 0.069 0.000 1.124 41 L CA 1.555 56.414 54.840 0.031 0.000 0.838 41 L CB 2.320 44.381 42.059 0.003 0.000 1.107 41 L HN 0.436 8.724 8.230 0.096 0.000 0.494 42 c N -6.958 111.700 118.600 0.097 0.000 3.316 42 c HA 0.168 4.812 4.570 0.122 0.000 0.360 42 c C -1.657 172.542 174.090 0.182 0.000 1.560 42 c CA -0.896 55.500 56.329 0.111 0.000 1.229 42 c CB 3.923 46.455 42.510 0.037 0.000 1.823 42 c HN -0.824 7.471 8.230 0.109 0.000 0.440 43 G N -1.910 106.999 108.800 0.182 0.000 2.509 43 G HA2 0.818 5.092 3.960 0.312 0.000 0.328 43 G HA3 0.818 4.905 3.960 0.211 0.000 0.328 43 G C -2.996 172.016 174.900 0.188 0.000 1.194 43 G CA -1.475 43.764 45.100 0.231 0.000 0.967 43 G HN 0.548 8.923 8.290 0.140 0.000 0.488 44 A N -2.698 120.248 122.820 0.210 0.000 2.515 44 A HA 0.932 5.600 4.320 0.179 -0.241 0.299 44 A C -2.315 175.403 177.584 0.223 0.000 1.179 44 A CA -0.673 51.482 52.037 0.197 0.000 0.656 44 A CB 3.065 22.177 19.000 0.187 0.000 1.306 44 A HN -0.228 8.065 8.150 0.239 0.000 0.459 45 S N -2.781 113.055 115.700 0.226 0.000 2.569 45 S HA 0.910 5.776 4.470 0.297 -0.217 0.280 45 S C -0.961 173.787 174.600 0.246 0.000 1.111 45 S CA -1.801 56.551 58.200 0.254 0.000 0.887 45 S CB 3.786 67.112 63.200 0.211 0.000 1.095 45 S HN 0.356 8.795 8.310 0.215 0.000 0.476 46 L N 3.658 125.046 121.223 0.276 0.000 2.255 46 L HA 0.419 4.905 4.340 0.245 0.000 0.289 46 L C -0.395 176.601 176.870 0.211 0.000 1.046 46 L CA -0.555 54.435 54.840 0.250 0.000 0.816 46 L CB 1.317 43.527 42.059 0.251 0.000 1.197 46 L HN 0.348 8.688 8.230 0.346 0.098 0.427 47 I N -0.678 120.016 120.570 0.207 0.000 3.939 47 I HA 0.450 4.680 4.170 0.099 0.000 0.313 47 I C -0.832 175.388 176.117 0.172 0.000 1.274 47 I CA -0.354 61.038 61.300 0.153 0.000 1.301 47 I CB 1.618 39.703 38.000 0.142 0.000 1.105 47 I HN 0.140 8.499 8.210 0.249 0.000 0.427 48 S N -0.986 114.869 115.700 0.257 0.000 2.727 48 S HA 0.151 4.779 4.470 0.263 0.000 0.278 48 S C -1.300 173.531 174.600 0.385 0.000 1.186 48 S CA -0.813 57.569 58.200 0.303 0.000 0.836 48 S CB 2.396 65.790 63.200 0.323 0.000 1.186 48 S HN -0.825 7.659 8.310 0.290 0.000 0.499 49 D N -3.606 117.023 120.400 0.381 0.000 2.310 49 D HA -0.127 4.743 4.640 0.384 0.000 0.212 49 D C 0.616 176.986 176.300 0.117 0.000 0.965 49 D CA 2.160 56.293 54.000 0.221 0.000 0.879 49 D CB -0.067 40.682 40.800 -0.085 0.000 0.921 49 D HN 0.298 8.874 8.370 0.344 0.000 0.510 50 R N -3.211 117.361 120.500 0.120 0.000 2.509 50 R HA 0.315 4.607 4.340 -0.079 0.000 0.297 50 R C -1.751 174.447 176.300 -0.171 0.000 0.951 50 R CA -0.299 55.751 56.100 -0.082 0.000 1.103 50 R CB 1.947 32.090 30.300 -0.263 0.000 1.283 50 R HN -0.412 7.943 8.270 0.225 0.050 0.534 51 W N -1.992 119.376 121.300 0.112 0.000 2.666 51 W HA 0.640 5.548 4.660 0.113 -0.181 0.334 51 W C -1.332 175.262 176.519 0.125 0.000 1.051 51 W CA -0.749 56.662 57.345 0.110 0.000 1.224 51 W CB 3.261 32.771 29.460 0.084 0.000 1.405 51 W HN -0.588 7.815 8.180 0.372 0.000 0.513 52 V N 1.744 121.893 119.914 0.393 0.000 2.680 52 V HA 0.852 5.329 4.120 0.274 -0.192 0.309 52 V C -1.969 174.311 176.094 0.309 0.000 1.052 52 V CA -1.505 60.970 62.300 0.292 0.000 0.908 52 V CB 3.327 35.279 31.823 0.214 0.000 1.001 52 V HN 0.781 9.231 8.190 0.432 0.000 0.431 53 L N 6.821 128.199 121.223 0.259 0.000 2.329 53 L HA 0.942 5.604 4.340 0.276 -0.157 0.279 53 L C -1.699 175.298 176.870 0.211 0.000 1.014 53 L CA -1.469 53.518 54.840 0.245 0.000 0.814 53 L CB 3.544 45.734 42.059 0.219 0.000 1.257 53 L HN 0.436 8.810 8.230 0.241 0.000 0.424 54 T N 4.951 119.622 114.554 0.195 0.000 2.645 54 T HA 0.484 5.127 4.350 0.148 -0.205 0.300 54 T C -2.287 172.476 174.700 0.106 0.000 1.210 54 T CA -2.421 59.763 62.100 0.140 0.000 1.034 54 T CB 2.671 71.608 68.868 0.114 0.000 1.537 54 T HN 0.557 8.929 8.240 0.220 0.000 0.492 55 A N 0.129 122.969 122.820 0.032 0.000 2.301 55 A HA 0.491 5.012 4.320 0.046 -0.172 0.298 55 A C 0.544 178.047 177.584 -0.135 0.000 1.185 55 A CA -1.915 50.111 52.037 -0.018 0.000 0.830 55 A CB 1.117 20.089 19.000 -0.046 0.000 1.112 55 A HN 0.400 8.557 8.150 0.012 0.000 0.508 56 A N 5.510 128.209 122.820 -0.201 0.000 2.019 56 A HA -0.252 3.929 4.320 -0.231 0.000 0.219 56 A C 1.030 178.399 177.584 -0.358 0.000 1.164 56 A CA 2.994 54.786 52.037 -0.409 0.000 0.644 56 A CB -0.558 17.886 19.000 -0.926 0.000 0.805 56 A HN 0.639 8.698 8.150 -0.156 -0.003 0.449 57 H N -4.919 114.024 119.070 -0.211 0.000 2.546 57 H HA 0.019 4.823 4.556 0.115 -0.179 0.277 57 H C 1.465 176.809 175.328 0.027 0.000 1.004 57 H CA 1.711 57.776 56.048 0.028 0.000 1.231 57 H CB -1.458 28.395 29.762 0.151 0.000 1.382 57 H HN -0.079 8.384 8.280 -0.056 -0.217 0.580 58 c N -1.933 116.474 118.600 -0.322 0.000 2.468 58 c HA -0.091 4.363 4.570 -0.193 0.000 0.277 58 c C 0.093 174.132 174.090 -0.085 0.000 1.400 58 c CA 1.815 58.015 56.329 -0.215 0.000 1.770 58 c CB -0.919 41.470 42.510 -0.202 0.000 1.905 58 c HN -0.577 7.254 8.230 -0.374 0.174 0.519 59 L N -2.773 118.406 121.223 -0.074 0.000 2.331 59 L HA 0.226 4.545 4.340 -0.036 0.000 0.268 59 L C -0.149 176.702 176.870 -0.031 0.000 1.015 59 L CA -1.054 53.761 54.840 -0.042 0.000 0.807 59 L CB 1.394 43.433 42.059 -0.033 0.000 1.293 59 L HN -0.673 7.336 8.230 -0.106 0.158 0.451 60 T N 0.485 115.015 114.554 -0.040 0.000 2.923 60 T HA 0.269 4.589 4.350 -0.050 0.000 0.281 60 T C 0.991 175.666 174.700 -0.042 0.000 0.995 60 T CA -1.545 60.528 62.100 -0.045 0.000 0.985 60 T CB 1.720 70.561 68.868 -0.045 0.000 1.114 60 T HN 0.229 8.778 8.240 -0.040 -0.333 0.548 61 E N 4.093 124.263 120.200 -0.051 0.000 2.068 61 E HA -0.482 3.843 4.350 -0.042 0.000 0.207 61 E C 1.980 178.560 176.600 -0.032 0.000 1.032 61 E CA 3.560 59.932 56.400 -0.046 0.000 0.839 61 E CB -0.695 28.969 29.700 -0.059 0.000 0.758 61 E HN 0.681 9.004 8.360 -0.063 0.000 0.457 62 N N -2.699 115.980 118.700 -0.034 0.000 2.430 62 N HA -0.254 4.472 4.740 -0.024 0.000 0.186 62 N C 0.015 175.509 175.510 -0.026 0.000 1.032 62 N CA 2.407 55.441 53.050 -0.028 0.000 0.893 62 N CB -0.682 37.787 38.487 -0.030 0.000 0.957 62 N HN 0.209 8.565 8.380 -0.040 0.000 0.442 63 D N -2.547 117.834 120.400 -0.030 0.000 2.354 63 D HA 0.053 4.670 4.640 -0.039 0.000 0.209 63 D C -0.989 175.290 176.300 -0.034 0.000 1.015 63 D CA 0.966 54.944 54.000 -0.037 0.000 0.867 63 D CB 0.726 41.500 40.800 -0.044 0.000 0.933 63 D HN -0.268 7.909 8.370 -0.032 0.174 0.520 64 L N -2.770 118.444 121.223 -0.015 0.000 2.303 64 L HA 0.805 5.310 4.340 -0.001 -0.167 0.266 64 L C -1.387 175.507 176.870 0.040 0.000 1.011 64 L CA -1.171 53.674 54.840 0.009 0.000 0.818 64 L CB 3.283 45.352 42.059 0.015 0.000 1.326 64 L HN -0.606 7.457 8.230 -0.015 0.158 0.435 65 L N -1.812 119.464 121.223 0.089 0.000 2.393 65 L HA 0.550 5.039 4.340 0.070 -0.107 0.260 65 L C -2.288 174.658 176.870 0.127 0.000 1.002 65 L CA -1.240 53.667 54.840 0.111 0.000 0.818 65 L CB 5.598 47.763 42.059 0.176 0.000 1.369 65 L HN 0.662 8.868 8.230 0.105 0.087 0.412 66 V N 3.408 123.379 119.914 0.095 0.000 2.378 66 V HA 0.496 4.865 4.120 0.122 -0.175 0.288 66 V C -1.597 174.543 176.094 0.077 0.000 1.016 66 V CA -1.239 61.121 62.300 0.100 0.000 0.840 66 V CB 2.217 34.094 31.823 0.090 0.000 0.994 66 V HN 0.423 8.658 8.190 0.074 0.000 0.431 67 R N 7.645 128.181 120.500 0.060 0.000 2.295 67 R HA 0.641 5.152 4.340 0.012 -0.164 0.324 67 R C -0.759 175.573 176.300 0.054 0.000 0.968 67 R CA -1.358 54.744 56.100 0.003 0.000 0.837 67 R CB 1.260 31.483 30.300 -0.128 0.000 1.133 67 R HN 0.619 8.939 8.270 0.083 0.000 0.450 68 I N 1.351 121.962 120.570 0.068 0.000 2.562 68 I HA 0.218 4.477 4.170 0.148 0.000 0.301 68 I C 0.120 176.292 176.117 0.093 0.000 1.003 68 I CA -1.669 59.698 61.300 0.112 0.000 1.127 68 I CB 2.514 40.592 38.000 0.131 0.000 1.304 68 I HN 0.671 8.913 8.210 0.054 0.000 0.446 69 G N 3.194 112.067 108.800 0.122 0.000 2.157 69 G HA2 -0.420 3.833 3.960 0.146 0.000 0.239 69 G HA3 -0.420 3.590 3.960 0.083 0.000 0.239 69 G C -1.105 173.833 174.900 0.063 0.000 0.982 69 G CA -0.074 45.088 45.100 0.104 0.000 0.650 69 G HN 0.458 8.838 8.290 0.150 0.000 0.527 70 K N -1.336 119.135 120.400 0.119 0.000 2.138 70 K HA 0.105 4.562 4.320 0.021 -0.124 0.251 70 K C -1.669 175.147 176.600 0.360 0.000 1.015 70 K CA 0.278 56.650 56.287 0.142 0.000 0.917 70 K CB 0.875 33.368 32.500 -0.013 0.000 1.021 70 K HN -0.511 7.786 8.250 0.159 0.048 0.485 71 H N 0.018 119.203 119.070 0.192 0.000 1.985 71 H HA 0.221 4.952 4.556 0.291 0.000 0.159 71 H C 0.154 175.663 175.328 0.301 0.000 1.010 71 H CA 0.881 57.064 56.048 0.225 0.000 1.075 71 H CB 3.177 32.963 29.762 0.039 0.000 0.963 71 H HN 0.182 8.978 8.280 0.181 -0.407 0.330 72 S N -0.218 115.543 115.700 0.103 0.000 2.573 72 S HA -0.038 4.603 4.470 -0.024 -0.185 0.277 72 S C 0.954 175.456 174.600 -0.163 0.000 1.346 72 S CA 1.468 59.657 58.200 -0.018 0.000 1.034 72 S CB 0.970 64.153 63.200 -0.028 0.000 0.879 72 S HN -0.401 8.400 8.310 0.165 -0.392 0.528 73 R N 4.539 124.922 120.500 -0.195 0.000 2.087 73 R HA -0.042 3.638 4.340 -1.100 0.000 0.216 73 R C 0.867 176.966 176.300 -0.335 0.000 1.114 73 R CA 2.392 58.200 56.100 -0.486 0.000 1.002 73 R CB 0.397 30.581 30.300 -0.194 0.000 0.903 73 R HN 0.723 8.864 8.270 -0.072 0.085 0.445 74 T N -4.572 109.884 114.554 -0.164 0.000 3.065 74 T HA 0.032 4.320 4.350 -0.102 0.000 0.252 74 T C 0.393 175.038 174.700 -0.093 0.000 1.099 74 T CA 0.161 62.200 62.100 -0.102 0.000 1.063 74 T CB 0.281 69.126 68.868 -0.038 0.000 0.948 74 T HN -0.095 8.078 8.240 -0.113 0.000 0.506 75 R N 0.872 121.309 120.500 -0.104 0.000 2.540 75 R HA 0.257 4.580 4.340 -0.028 0.000 0.287 75 R C -1.362 174.891 176.300 -0.078 0.000 0.980 75 R CA -1.878 54.183 56.100 -0.066 0.000 0.966 75 R CB 0.968 31.235 30.300 -0.056 0.000 1.106 75 R HN -0.787 7.407 8.270 -0.126 0.000 0.480 76 Y N 4.071 124.286 120.300 -0.142 0.000 2.421 76 Y HA 0.532 5.148 4.550 -0.198 -0.186 0.366 76 Y C 0.358 176.189 175.900 -0.115 0.000 1.360 76 Y CA -0.922 57.086 58.100 -0.153 0.000 1.663 76 Y CB 1.696 40.076 38.460 -0.133 0.000 1.677 76 Y HN 0.169 8.505 8.280 0.093 0.000 0.584 77 R N 0.843 120.967 120.500 -0.627 0.000 2.563 77 R HA 0.238 4.177 4.340 -0.668 0.000 0.262 77 R C -0.829 175.319 176.300 -0.253 0.000 1.128 77 R CA 0.721 56.546 56.100 -0.458 0.000 0.969 77 R CB 1.512 31.701 30.300 -0.186 0.000 1.251 77 R HN 0.381 8.352 8.270 -0.499 0.000 0.442 78 N N 1.410 120.003 118.700 -0.177 0.000 2.936 78 N HA -0.347 4.364 4.740 -0.048 0.000 0.236 78 N C -1.405 174.047 175.510 -0.096 0.000 0.930 78 N CA 1.502 54.498 53.050 -0.091 0.000 0.966 78 N CB -0.263 38.188 38.487 -0.059 0.000 1.090 78 N HN 0.642 8.919 8.380 -0.172 0.000 0.592 79 I N -3.201 117.263 120.570 -0.176 0.000 3.739 79 I HA -0.061 4.055 4.170 -0.089 0.000 0.272 79 I C -1.674 174.371 176.117 -0.121 0.000 1.167 79 I CA 0.220 61.407 61.300 -0.189 0.000 1.386 79 I CB 2.218 39.988 38.000 -0.383 0.000 1.490 79 I HN -0.369 7.617 8.210 -0.252 0.073 0.452 80 E N 0.256 120.351 120.200 -0.174 0.000 2.283 80 E HA 0.361 4.814 4.350 -0.027 -0.120 0.267 80 E C -0.777 175.801 176.600 -0.036 0.000 1.045 80 E CA -1.078 55.266 56.400 -0.093 0.000 0.884 80 E CB 1.729 31.347 29.700 -0.138 0.000 1.106 80 E HN -0.521 7.674 8.360 -0.274 0.000 0.408 81 K N -0.260 120.153 120.400 0.022 0.000 2.340 81 K HA 0.412 4.767 4.320 0.057 0.000 0.244 81 K C -1.682 174.952 176.600 0.057 0.000 0.973 81 K CA -1.425 54.892 56.287 0.051 0.000 0.828 81 K CB 3.839 36.374 32.500 0.058 0.000 1.226 81 K HN 0.573 8.733 8.250 0.032 0.110 0.437 82 I N 1.907 122.513 120.570 0.061 0.000 2.466 82 I HA 0.820 5.220 4.170 0.042 -0.205 0.289 82 I C -0.510 175.629 176.117 0.036 0.000 1.026 82 I CA -1.172 60.156 61.300 0.046 0.000 1.078 82 I CB 2.858 40.885 38.000 0.045 0.000 1.249 82 I HN 0.283 8.530 8.210 0.062 0.000 0.429 83 S N 6.417 122.138 115.700 0.036 0.000 2.599 83 S HA 0.454 4.931 4.470 0.013 0.000 0.294 83 S C -1.757 172.854 174.600 0.018 0.000 1.094 83 S CA -1.101 57.112 58.200 0.022 0.000 0.931 83 S CB 2.941 66.154 63.200 0.021 0.000 1.093 83 S HN 0.478 8.815 8.310 0.045 0.000 0.488 84 M N 0.128 119.729 119.600 0.001 0.000 2.654 84 M HA 0.168 4.653 4.480 0.009 0.000 0.310 84 M C -1.129 175.158 176.300 -0.021 0.000 1.211 84 M CA -0.718 54.580 55.300 -0.004 0.000 0.947 84 M CB 2.108 34.701 32.600 -0.012 0.000 1.647 84 M HN 0.169 8.454 8.290 -0.008 0.000 0.481 85 L N -1.447 119.760 121.223 -0.026 0.000 2.344 85 L HA 0.215 4.633 4.340 -0.061 -0.115 0.272 85 L C -0.836 175.993 176.870 -0.068 0.000 1.035 85 L CA -0.405 54.405 54.840 -0.050 0.000 0.807 85 L CB 0.996 43.032 42.059 -0.038 0.000 1.237 85 L HN 0.516 8.735 8.230 -0.019 0.000 0.442 86 E N 1.099 121.240 120.200 -0.098 0.000 2.152 86 E HA -0.030 4.272 4.350 -0.080 0.000 0.195 86 E C 0.141 176.666 176.600 -0.126 0.000 0.934 86 E CA 1.214 57.553 56.400 -0.101 0.000 0.869 86 E CB 1.976 31.606 29.700 -0.117 0.000 0.842 86 E HN 0.791 8.978 8.360 -0.117 0.103 0.472 87 K N -3.497 116.807 120.400 -0.161 0.000 2.508 87 K HA 0.316 4.523 4.320 -0.271 -0.050 0.260 87 K C -2.276 174.142 176.600 -0.303 0.000 0.949 87 K CA -2.250 53.866 56.287 -0.286 0.000 0.834 87 K CB 3.989 36.269 32.500 -0.367 0.000 1.365 87 K HN -0.582 7.574 8.250 -0.156 0.000 0.437 88 I N 0.648 120.964 120.570 -0.424 0.000 2.498 88 I HA 0.466 4.790 4.170 -0.012 -0.161 0.290 88 I C -0.935 174.955 176.117 -0.378 0.000 1.032 88 I CA -1.119 60.059 61.300 -0.203 0.000 1.073 88 I CB 2.916 40.865 38.000 -0.085 0.000 1.251 88 I HN 0.165 8.130 8.210 -0.497 -0.053 0.426 89 Y N 6.001 126.405 120.300 0.174 0.000 2.350 89 Y HA 0.157 4.800 4.550 0.155 0.000 0.338 89 Y C -1.684 174.415 175.900 0.331 0.000 0.961 89 Y CA -0.784 57.454 58.100 0.230 0.000 1.100 89 Y CB 2.579 41.199 38.460 0.268 0.000 1.179 89 Y HN 0.910 9.400 8.280 0.349 0.000 0.454 90 I N 1.388 122.196 120.570 0.397 0.000 2.607 90 I HA 0.236 4.541 4.170 0.225 0.000 0.305 90 I C -0.732 175.500 176.117 0.191 0.000 0.995 90 I CA -2.169 59.282 61.300 0.252 0.000 1.148 90 I CB 2.227 40.330 38.000 0.171 0.000 1.323 90 I HN 0.381 8.797 8.210 0.344 0.000 0.461 91 H N 6.032 124.974 119.070 -0.213 0.000 2.929 91 H HA 0.051 3.957 4.556 -1.083 0.000 0.317 91 H C 0.382 175.639 175.328 -0.118 0.000 1.031 91 H CA 0.299 55.987 56.048 -0.600 0.000 1.466 91 H CB 1.298 30.634 29.762 -0.709 0.000 1.482 91 H HN -0.348 7.892 8.280 -0.066 0.000 0.561 92 P HA -0.120 4.412 4.420 0.187 0.000 0.220 92 P C -0.015 177.426 177.300 0.235 0.000 1.144 92 P CA 1.585 64.793 63.100 0.179 0.000 0.800 92 P CB 0.234 32.008 31.700 0.123 0.000 0.772 93 R N -4.528 116.190 120.500 0.364 0.000 2.662 93 R HA 0.247 4.625 4.340 0.063 0.000 0.396 93 R C -1.211 175.090 176.300 0.002 0.000 1.096 93 R CA -1.189 54.967 56.100 0.094 0.000 1.081 93 R CB 0.688 30.993 30.300 0.008 0.000 1.382 93 R HN -0.238 8.538 8.270 0.945 0.061 0.580 94 Y N 3.344 123.636 120.300 -0.012 0.000 2.620 94 Y HA -0.207 4.526 4.550 -0.117 -0.253 0.330 94 Y C -0.780 175.115 175.900 -0.008 0.000 1.186 94 Y CA -0.189 57.902 58.100 -0.016 0.000 1.467 94 Y CB 0.339 38.858 38.460 0.097 0.000 1.262 94 Y HN -0.510 7.803 8.280 0.315 0.156 0.550 95 N N 8.200 126.688 118.700 -0.353 0.000 2.609 95 N HA 0.205 4.551 4.740 -0.658 0.000 0.234 95 N C -1.347 173.778 175.510 -0.642 0.000 1.001 95 N CA -2.059 50.666 53.050 -0.542 0.000 0.926 95 N CB 0.352 38.643 38.487 -0.327 0.000 1.130 95 N HN 0.412 8.739 8.380 -0.088 0.000 0.510 96 W N 4.001 124.858 121.300 -0.739 0.000 2.269 96 W HA 0.223 4.630 4.660 -0.421 0.000 0.402 96 W C -0.611 175.735 176.519 -0.289 0.000 0.654 96 W CA -2.835 54.195 57.345 -0.524 0.000 2.299 96 W CB -2.081 27.093 29.460 -0.475 0.000 1.621 96 W HN 0.361 7.676 8.180 -1.441 0.000 0.677 97 E N 3.502 123.499 120.200 -0.338 0.000 2.160 97 E HA -0.547 3.664 4.350 -0.232 0.000 0.237 97 E C -0.486 175.943 176.600 -0.285 0.000 1.069 97 E CA 3.684 59.925 56.400 -0.265 0.000 0.950 97 E CB 0.024 29.580 29.700 -0.240 0.000 0.832 97 E HN -0.207 8.224 8.360 -0.407 -0.315 0.496 98 N N -4.804 113.720 118.700 -0.294 0.000 2.299 98 N HA -0.044 4.377 4.740 -0.532 0.000 0.246 98 N C -0.676 174.628 175.510 -0.344 0.000 1.254 98 N CA -0.867 51.950 53.050 -0.388 0.000 0.879 98 N CB -0.142 38.162 38.487 -0.304 0.000 1.214 98 N HN -0.163 8.059 8.380 -0.263 0.000 0.510 99 L N -3.785 117.311 121.223 -0.211 0.000 3.678 99 L HA -0.496 4.027 4.340 0.140 -0.098 0.425 99 L C -1.588 175.350 176.870 0.113 0.000 1.240 99 L CA 0.736 55.590 54.840 0.024 0.000 0.876 99 L CB -2.940 39.129 42.059 0.016 0.000 1.766 99 L HN -0.099 7.995 8.230 -0.227 0.000 0.917 100 D N -1.393 119.019 120.400 0.020 0.000 2.345 100 D HA -0.016 4.679 4.640 0.091 0.000 0.247 100 D C 0.143 176.476 176.300 0.055 0.000 1.108 100 D CA 0.454 54.474 54.000 0.033 0.000 0.894 100 D CB 1.384 42.156 40.800 -0.046 0.000 1.203 100 D HN -0.899 7.412 8.370 -0.077 0.013 0.430 101 R N -1.586 118.923 120.500 0.014 0.000 3.422 101 R HA -0.415 3.857 4.340 -0.114 0.000 0.267 101 R C -1.129 175.196 176.300 0.043 0.000 1.074 101 R CA 1.021 57.055 56.100 -0.109 0.000 0.718 101 R CB -1.289 28.736 30.300 -0.458 0.000 1.157 101 R HN 0.690 8.981 8.270 0.035 0.000 0.440 102 D N -1.098 119.388 120.400 0.143 0.000 2.600 102 D HA -0.037 4.598 4.640 -0.009 0.000 0.226 102 D C -1.850 174.465 176.300 0.025 0.000 1.119 102 D CA 0.172 54.236 54.000 0.106 0.000 1.051 102 D CB -0.839 40.113 40.800 0.252 0.000 1.106 102 D HN -0.139 8.311 8.370 0.155 0.013 0.491 103 I N 1.465 122.009 120.570 -0.044 0.000 2.769 103 I HA 0.602 4.967 4.170 0.098 -0.136 0.298 103 I C -3.177 172.972 176.117 0.053 0.000 1.128 103 I CA -2.032 59.297 61.300 0.049 0.000 1.031 103 I CB 4.058 42.123 38.000 0.108 0.000 1.235 103 I HN -0.102 8.009 8.210 -0.103 0.038 0.423 104 A N 5.232 128.174 122.820 0.203 0.000 2.572 104 A HA 0.822 5.508 4.320 0.425 -0.111 0.295 104 A C -2.760 175.070 177.584 0.410 0.000 1.072 104 A CA -1.516 50.706 52.037 0.308 0.000 0.691 104 A CB 3.951 23.038 19.000 0.145 0.000 1.291 104 A HN 0.719 8.998 8.150 0.214 0.000 0.404 105 L N 0.253 121.785 121.223 0.516 0.000 2.362 105 L HA 0.901 5.675 4.340 0.425 -0.180 0.271 105 L C -1.323 175.874 176.870 0.545 0.000 1.002 105 L CA -1.551 53.589 54.840 0.501 0.000 0.818 105 L CB 4.397 46.697 42.059 0.401 0.000 1.298 105 L HN 0.666 9.255 8.230 0.598 0.000 0.420 106 M N 0.431 120.323 119.600 0.487 0.000 2.395 106 M HA 0.715 5.517 4.480 0.240 -0.178 0.307 106 M C -1.763 174.614 176.300 0.128 0.000 1.091 106 M CA -1.094 54.371 55.300 0.274 0.000 0.919 106 M CB 4.119 36.813 32.600 0.156 0.000 1.662 106 M HN 0.753 9.347 8.290 0.506 0.000 0.440 107 K N 3.600 123.902 120.400 -0.163 0.000 2.235 107 K HA 0.629 4.383 4.320 -1.182 -0.143 0.266 107 K C -1.343 175.051 176.600 -0.343 0.000 0.980 107 K CA -1.541 54.332 56.287 -0.690 0.000 0.849 107 K CB 2.790 34.868 32.500 -0.703 0.000 1.098 107 K HN 0.763 8.977 8.250 -0.059 0.000 0.445 108 L N 5.807 126.842 121.223 -0.313 0.000 2.439 108 L HA 0.119 4.512 4.340 -0.106 -0.117 0.261 108 L C 0.353 177.136 176.870 -0.146 0.000 1.153 108 L CA 0.278 55.025 54.840 -0.154 0.000 0.808 108 L CB 0.309 42.312 42.059 -0.093 0.000 1.126 108 L HN 0.311 8.289 8.230 -0.420 0.000 0.460 109 K N -0.524 119.823 120.400 -0.090 0.000 1.985 109 K HA -0.263 4.010 4.320 -0.079 0.000 0.210 109 K C 0.356 176.915 176.600 -0.069 0.000 1.047 109 K CA 1.923 58.167 56.287 -0.072 0.000 0.932 109 K CB 0.757 33.229 32.500 -0.046 0.000 0.716 109 K HN 0.542 8.751 8.250 -0.067 0.000 0.439 110 K N -3.443 116.922 120.400 -0.058 0.000 2.328 110 K HA 0.351 4.637 4.320 -0.056 0.000 0.246 110 K C -2.966 173.600 176.600 -0.057 0.000 0.955 110 K CA -2.672 53.583 56.287 -0.053 0.000 0.817 110 K CB 0.866 33.344 32.500 -0.038 0.000 1.208 110 K HN -0.074 8.146 8.250 -0.050 0.000 0.432 111 P HA -0.038 4.531 4.420 -0.060 -0.185 0.270 111 P C -0.563 176.696 177.300 -0.070 0.000 1.227 111 P CA -0.211 62.846 63.100 -0.072 0.000 0.788 111 P CB 0.478 32.124 31.700 -0.091 0.000 0.926 112 V N -0.171 119.695 119.914 -0.080 0.000 2.919 112 V HA 0.119 4.215 4.120 -0.041 0.000 0.316 112 V C -1.144 174.833 176.094 -0.194 0.000 1.077 112 V CA -2.439 59.828 62.300 -0.055 0.000 0.977 112 V CB 3.149 35.004 31.823 0.053 0.000 1.039 112 V HN -0.445 7.693 8.190 -0.087 0.000 0.441 113 A N 5.823 128.559 122.820 -0.140 0.000 2.303 113 A HA 0.346 4.403 4.320 -0.438 0.000 0.317 113 A C -1.201 176.330 177.584 -0.088 0.000 1.149 113 A CA -0.703 51.197 52.037 -0.228 0.000 0.822 113 A CB 1.358 20.298 19.000 -0.100 0.000 1.131 113 A HN 0.046 8.165 8.150 -0.052 0.000 0.493 114 F N -0.830 119.121 119.950 0.002 0.000 2.375 114 F HA 0.030 4.622 4.527 0.016 -0.056 0.313 114 F C -0.075 175.736 175.800 0.018 0.000 1.176 114 F CA -1.762 56.239 58.000 0.002 0.000 1.142 114 F CB 0.873 39.842 39.000 -0.051 0.000 1.275 114 F HN -0.143 7.914 8.300 -0.406 0.000 0.544 115 S N -0.597 115.249 115.700 0.243 0.000 2.800 115 S HA 0.209 4.724 4.470 0.075 0.000 0.293 115 S C -1.030 173.560 174.600 -0.017 0.000 1.209 115 S CA -0.615 57.640 58.200 0.092 0.000 0.884 115 S CB 2.731 66.006 63.200 0.124 0.000 1.244 115 S HN 0.354 8.721 8.310 0.271 0.106 0.540 116 D N -1.731 118.510 120.400 -0.265 0.000 2.323 116 D HA 0.044 4.535 4.640 -0.248 0.000 0.209 116 D C -0.455 175.529 176.300 -0.527 0.000 0.973 116 D CA 1.963 55.686 54.000 -0.461 0.000 0.874 116 D CB 0.266 40.618 40.800 -0.748 0.000 0.930 116 D HN 0.226 8.411 8.370 -0.308 0.000 0.521 117 Y N -3.701 116.594 120.300 -0.010 0.000 2.458 117 Y HA 0.054 4.552 4.550 -0.087 0.000 0.254 117 Y C -0.177 175.712 175.900 -0.019 0.000 1.120 117 Y CA -0.307 57.769 58.100 -0.039 0.000 1.282 117 Y CB 1.529 39.971 38.460 -0.028 0.000 1.109 117 Y HN -0.454 7.615 8.280 -0.266 0.050 0.526 118 I N -0.823 119.836 120.570 0.148 0.000 2.411 118 I HA 0.442 4.867 4.170 0.121 -0.182 0.284 118 I C -1.943 174.240 176.117 0.111 0.000 1.012 118 I CA -0.927 60.467 61.300 0.157 0.000 1.119 118 I CB 1.655 39.796 38.000 0.235 0.000 1.261 118 I HN -0.322 7.851 8.210 0.122 0.111 0.448 119 H N 8.806 127.812 119.070 -0.107 0.000 3.086 119 H HA 0.370 4.474 4.556 -0.752 0.000 0.353 119 H C -3.204 172.040 175.328 -0.141 0.000 1.134 119 H CA -1.705 54.147 56.048 -0.326 0.000 1.248 119 H CB 4.250 33.895 29.762 -0.194 0.000 1.878 119 H HN 0.119 8.329 8.280 0.052 0.102 0.527 120 P HA 0.250 4.942 4.420 0.171 -0.169 0.276 120 P C -1.483 175.956 177.300 0.232 0.000 1.252 120 P CA -0.746 62.373 63.100 0.031 0.000 0.802 120 P CB 1.541 33.165 31.700 -0.127 0.000 1.035 121 V N -1.019 118.923 119.914 0.046 0.000 2.966 121 V HA 0.123 3.966 4.120 -0.462 0.000 0.317 121 V C -0.383 175.576 176.094 -0.225 0.000 1.070 121 V CA -1.757 60.321 62.300 -0.371 0.000 1.008 121 V CB 3.184 34.493 31.823 -0.858 0.000 1.070 121 V HN -0.066 8.164 8.190 0.068 0.000 0.457 122 C N 4.387 123.492 119.300 -0.324 0.000 2.364 122 C HA 0.233 4.623 4.460 -0.117 0.000 0.356 122 C C -0.885 174.081 174.990 -0.039 0.000 1.201 122 C CA -0.160 58.718 59.018 -0.233 0.000 2.227 122 C CB 0.686 28.066 27.740 -0.600 0.000 2.387 122 C HN -0.070 7.880 8.230 -0.466 0.000 0.546 123 L N 1.111 122.393 121.223 0.099 0.000 2.334 123 L HA 0.513 4.966 4.340 0.189 0.000 0.275 123 L C -0.817 176.263 176.870 0.349 0.000 1.036 123 L CA -2.195 52.763 54.840 0.197 0.000 0.807 123 L CB 0.954 43.104 42.059 0.152 0.000 1.231 123 L HN 0.321 8.596 8.230 0.076 0.000 0.438 124 P HA 0.112 4.652 4.420 0.201 0.000 0.278 124 P C -2.386 175.026 177.300 0.187 0.000 1.258 124 P CA -0.921 62.300 63.100 0.203 0.000 0.811 124 P CB 0.850 32.596 31.700 0.077 0.000 1.063 125 D N -3.108 117.264 120.400 -0.046 0.000 2.350 125 D HA 0.163 4.956 4.640 0.254 0.000 0.238 125 D C 1.096 177.119 176.300 -0.462 0.000 0.989 125 D CA -2.397 51.592 54.000 -0.018 0.000 0.921 125 D CB 2.474 43.274 40.800 -0.000 0.000 1.297 125 D HN -0.400 7.832 8.370 -0.230 0.000 0.490 126 R N 0.180 120.362 120.500 -0.531 0.000 2.190 126 R HA -0.501 2.691 4.340 -1.913 0.000 0.255 126 R C 1.905 177.891 176.300 -0.523 0.000 1.143 126 R CA 4.258 59.878 56.100 -0.799 0.000 0.965 126 R CB 0.011 30.254 30.300 -0.096 0.000 0.889 126 R HN 0.450 8.733 8.270 0.021 0.000 0.448 127 E N -4.342 115.673 120.200 -0.308 0.000 2.107 127 E HA -0.111 4.111 4.350 -0.213 0.000 0.191 127 E C 0.211 176.639 176.600 -0.285 0.000 0.982 127 E CA 1.819 58.075 56.400 -0.240 0.000 0.809 127 E CB -0.115 29.491 29.700 -0.155 0.000 0.756 127 E HN -0.388 7.914 8.360 -0.233 -0.082 0.459 128 T N 1.637 115.976 114.554 -0.358 0.000 2.817 128 T HA -0.202 3.943 4.350 -0.341 0.000 0.295 128 T C 0.167 174.644 174.700 -0.373 0.000 0.958 128 T CA 3.043 64.891 62.100 -0.419 0.000 1.157 128 T CB -0.463 67.980 68.868 -0.709 0.000 0.898 128 T HN -0.385 7.868 8.240 -0.362 -0.230 0.536 129 L N 1.033 122.215 121.223 -0.069 0.000 2.462 129 L HA -0.400 4.127 4.340 0.313 0.000 0.463 129 L C -0.485 176.352 176.870 -0.055 0.000 0.716 129 L CA 1.777 56.650 54.840 0.054 0.000 2.997 129 L CB -1.734 40.312 42.059 -0.022 0.000 0.811 129 L HN 0.760 8.902 8.230 -0.147 0.000 0.710 130 L N -0.315 120.787 121.223 -0.203 0.000 2.384 130 L HA -0.029 4.108 4.340 -0.338 0.000 0.258 130 L C -1.200 175.452 176.870 -0.362 0.000 1.266 130 L CA 0.011 54.656 54.840 -0.326 0.000 1.162 130 L CB -1.777 40.051 42.059 -0.386 0.000 1.375 130 L HN -0.021 8.090 8.230 -0.198 0.000 0.420 131 Q N 1.114 120.609 119.800 -0.509 0.000 2.356 131 Q HA 0.240 4.319 4.340 -0.435 0.000 0.270 131 Q C -1.102 174.569 176.000 -0.548 0.000 1.058 131 Q CA -1.954 53.459 55.803 -0.651 0.000 0.802 131 Q CB 4.082 32.142 28.738 -1.129 0.000 1.303 131 Q HN -0.163 7.765 8.270 -0.490 0.048 0.444 132 A N 3.211 125.824 122.820 -0.345 0.000 2.540 132 A HA -0.460 3.879 4.320 -0.182 -0.128 0.239 132 A C 0.569 178.068 177.584 -0.141 0.000 1.061 132 A CA 1.331 53.244 52.037 -0.206 0.000 0.758 132 A CB -0.329 18.579 19.000 -0.155 0.000 0.991 132 A HN 0.536 8.502 8.150 -0.307 0.000 0.502 133 G N 3.461 112.238 108.800 -0.039 0.000 2.308 133 G HA2 -0.357 3.630 3.960 0.045 0.000 0.221 133 G HA3 -0.357 3.663 3.960 0.099 0.000 0.221 133 G C -0.719 174.311 174.900 0.216 0.000 1.032 133 G CA -0.251 44.895 45.100 0.077 0.000 0.623 133 G HN 0.251 8.506 8.290 -0.059 0.000 0.506 134 Y N 2.110 122.375 120.300 -0.058 0.000 2.411 134 Y HA -0.069 4.453 4.550 -0.046 0.000 0.333 134 Y C -0.533 175.348 175.900 -0.032 0.000 1.186 134 Y CA -1.092 56.977 58.100 -0.051 0.000 1.381 134 Y CB 0.609 39.028 38.460 -0.069 0.000 1.273 134 Y HN -0.367 7.908 8.280 0.139 0.088 0.546 135 K N 0.804 121.265 120.400 0.101 0.000 2.138 135 K HA 0.655 5.214 4.320 0.062 -0.202 0.263 135 K C -0.243 176.350 176.600 -0.012 0.000 0.965 135 K CA -1.039 55.273 56.287 0.041 0.000 0.868 135 K CB 2.672 35.177 32.500 0.008 0.000 1.083 135 K HN 0.053 8.320 8.250 0.029 0.000 0.443 136 G N 0.071 108.801 108.800 -0.116 0.000 2.788 136 G HA2 0.640 4.483 3.960 -0.362 0.000 0.293 136 G HA3 0.640 3.745 3.960 -1.426 0.000 0.293 136 G C -2.723 171.834 174.900 -0.572 0.000 1.305 136 G CA -1.479 43.256 45.100 -0.609 0.000 1.005 136 G HN 0.486 8.756 8.290 -0.034 0.000 0.496 137 R N -1.137 118.991 120.500 -0.621 0.000 2.750 137 R HA 0.929 5.338 4.340 -0.175 -0.174 0.281 137 R C -1.840 174.310 176.300 -0.252 0.000 0.972 137 R CA -1.435 54.507 56.100 -0.264 0.000 0.912 137 R CB 4.289 34.560 30.300 -0.049 0.000 1.187 137 R HN 0.503 8.281 8.270 -0.766 0.032 0.464 138 V N 5.196 125.067 119.914 -0.072 0.000 2.735 138 V HA 1.028 5.440 4.120 0.072 -0.248 0.310 138 V C -1.269 174.834 176.094 0.015 0.000 1.061 138 V CA -2.000 60.331 62.300 0.052 0.000 0.913 138 V CB 3.906 35.846 31.823 0.194 0.000 1.005 138 V HN 0.482 8.647 8.190 -0.042 0.000 0.428 139 T N 0.969 115.524 114.554 0.003 0.000 2.906 139 T HA 0.961 5.435 4.350 -0.117 -0.194 0.295 139 T C -1.006 173.604 174.700 -0.150 0.000 1.061 139 T CA -2.559 59.475 62.100 -0.110 0.000 1.000 139 T CB 3.437 72.207 68.868 -0.163 0.000 1.103 139 T HN -0.229 8.042 8.240 0.051 0.000 0.486 140 G N -0.133 108.489 108.800 -0.298 0.000 2.338 140 G HA2 0.272 4.002 3.960 -0.383 0.000 0.295 140 G HA3 0.272 4.369 3.960 -0.076 -0.183 0.295 140 G C -2.242 172.454 174.900 -0.340 0.000 1.461 140 G CA 0.682 45.613 45.100 -0.281 0.000 0.817 140 G HN -0.323 7.755 8.290 -0.353 0.000 0.556 141 W N 0.599 121.922 121.300 0.039 0.000 3.123 141 W HA 0.449 5.111 4.660 0.004 0.000 0.383 141 W C 0.174 176.715 176.519 0.037 0.000 1.102 141 W CA -1.083 56.276 57.345 0.024 0.000 1.865 141 W CB 0.659 30.134 29.460 0.025 0.000 1.111 141 W HN 0.610 8.917 8.180 0.212 0.000 0.621 142 G N 0.854 109.771 108.800 0.195 0.000 2.631 142 G HA2 -0.088 3.963 3.960 0.163 0.000 0.271 142 G HA3 -0.088 4.095 3.960 0.126 -0.148 0.271 142 G C -0.712 174.257 174.900 0.114 0.000 1.302 142 G CA -0.512 44.676 45.100 0.148 0.000 1.002 142 G HN -0.568 7.940 8.290 0.141 -0.133 0.519 143 N N -1.887 116.870 118.700 0.095 0.000 2.381 143 N HA -0.247 4.674 4.740 0.076 -0.135 0.241 143 N C -0.053 175.495 175.510 0.064 0.000 1.279 143 N CA 0.828 53.923 53.050 0.075 0.000 0.896 143 N CB 0.311 38.838 38.487 0.065 0.000 1.118 143 N HN 0.095 8.532 8.380 0.097 0.000 0.438 144 L N -2.820 118.436 121.223 0.055 0.000 2.554 144 L HA 0.198 4.824 4.340 0.046 -0.259 0.225 144 L C 0.531 177.426 176.870 0.042 0.000 1.104 144 L CA 0.366 55.233 54.840 0.046 0.000 0.866 144 L CB 0.887 42.970 42.059 0.040 0.000 1.047 144 L HN 0.178 8.441 8.230 0.054 0.000 0.468 145 K N -3.616 116.809 120.400 0.042 0.000 2.509 145 K HA 0.181 4.523 4.320 0.036 0.000 0.266 145 K C -1.281 175.344 176.600 0.040 0.000 0.987 145 K CA -0.867 55.443 56.287 0.037 0.000 0.868 145 K CB 2.554 35.073 32.500 0.031 0.000 1.421 145 K HN -0.610 7.623 8.250 0.045 0.044 0.444 146 E N 1.157 121.379 120.200 0.037 0.000 2.106 146 E HA -0.218 4.158 4.350 0.044 0.000 0.192 146 E C -0.039 176.583 176.600 0.036 0.000 0.984 146 E CA 2.277 58.700 56.400 0.039 0.000 0.806 146 E CB 0.677 30.398 29.700 0.034 0.000 0.750 146 E HN 0.482 8.862 8.360 0.033 0.000 0.458 151 Q N 0.146 119.976 119.800 0.050 0.000 2.365 151 Q HA 0.329 4.715 4.340 0.076 0.000 0.269 151 Q C -1.865 174.176 176.000 0.069 0.000 1.061 151 Q CA -2.766 53.077 55.803 0.068 0.000 0.816 151 Q CB 2.795 31.574 28.738 0.068 0.000 1.325 151 Q HN -0.143 8.154 8.270 0.044 0.000 0.446 152 P HA 0.269 4.722 4.420 0.055 0.000 0.278 152 P C -0.285 177.067 177.300 0.086 0.000 1.266 152 P CA -1.124 62.023 63.100 0.078 0.000 0.807 152 P CB 1.436 33.183 31.700 0.077 0.000 1.094 153 S N -1.861 113.874 115.700 0.058 0.000 2.483 153 S HA 0.007 4.501 4.470 0.040 0.000 0.221 153 S C 0.009 174.634 174.600 0.041 0.000 1.030 153 S CA 1.717 59.942 58.200 0.042 0.000 0.925 153 S CB 0.496 63.710 63.200 0.023 0.000 0.795 153 S HN 0.465 8.800 8.310 0.042 0.000 0.511 154 V N -0.200 119.724 119.914 0.017 0.000 3.103 154 V HA 0.253 4.457 4.120 -0.141 -0.169 0.318 154 V C -0.713 175.359 176.094 -0.037 0.000 1.114 154 V CA -1.435 60.788 62.300 -0.127 0.000 1.020 154 V CB 3.270 34.932 31.823 -0.268 0.000 1.085 154 V HN -0.748 7.454 8.190 0.020 0.000 0.446 155 L N 1.781 122.883 121.223 -0.202 0.000 2.453 155 L HA -0.051 3.714 4.340 -0.958 0.000 0.272 155 L C -1.108 175.572 176.870 -0.317 0.000 1.182 155 L CA 0.708 55.235 54.840 -0.523 0.000 0.858 155 L CB 0.928 42.657 42.059 -0.551 0.000 1.120 155 L HN -0.052 7.928 8.230 -0.417 0.000 0.474 156 Q N 4.039 123.655 119.800 -0.307 0.000 2.248 156 Q HA 0.851 5.292 4.340 -0.109 -0.166 0.263 156 Q C -1.273 174.643 176.000 -0.140 0.000 1.007 156 Q CA -1.830 53.883 55.803 -0.151 0.000 0.877 156 Q CB 3.240 31.929 28.738 -0.081 0.000 1.315 156 Q HN 0.146 8.157 8.270 -0.431 0.000 0.454 157 V N 0.511 120.380 119.914 -0.076 0.000 3.049 157 V HA 0.880 5.170 4.120 -0.063 -0.208 0.309 157 V C -2.789 173.301 176.094 -0.005 0.000 1.148 157 V CA -2.521 59.746 62.300 -0.054 0.000 0.990 157 V CB 4.338 36.121 31.823 -0.066 0.000 1.039 157 V HN 0.649 8.808 8.190 -0.051 0.000 0.430 158 V N 4.327 124.251 119.914 0.017 0.000 3.048 158 V HA 0.285 4.441 4.120 0.060 0.000 0.303 158 V C -2.989 173.138 176.094 0.055 0.000 1.214 158 V CA -1.556 60.779 62.300 0.058 0.000 0.984 158 V CB 4.462 36.338 31.823 0.088 0.000 1.054 158 V HN 0.074 8.266 8.190 0.005 0.000 0.430 159 N N 6.352 125.102 118.700 0.084 0.000 2.392 159 N HA 0.669 5.573 4.740 -0.014 -0.172 0.283 159 N C -1.099 174.462 175.510 0.085 0.000 1.003 159 N CA -0.651 52.431 53.050 0.053 0.000 0.892 159 N CB 1.781 40.309 38.487 0.070 0.000 1.193 159 N HN 0.248 8.698 8.380 0.116 0.000 0.487 160 L N 2.395 123.626 121.223 0.013 0.000 2.354 160 L HA 0.588 4.772 4.340 -0.260 0.000 0.269 160 L C -2.716 174.094 176.870 -0.100 0.000 1.005 160 L CA -3.151 51.637 54.840 -0.086 0.000 0.819 160 L CB 3.128 45.219 42.059 0.054 0.000 1.311 160 L HN 0.586 8.798 8.230 -0.031 0.000 0.423 161 P HA 0.330 4.931 4.420 -0.020 -0.192 0.277 161 P C -0.646 176.621 177.300 -0.056 0.000 1.240 161 P CA -1.120 61.901 63.100 -0.133 0.000 0.798 161 P CB 0.745 32.319 31.700 -0.210 0.000 0.979 162 I N 0.779 121.340 120.570 -0.014 0.000 2.519 162 I HA -0.028 4.228 4.170 -0.052 -0.117 0.287 162 I C 0.078 176.118 176.117 -0.128 0.000 1.047 162 I CA 0.508 61.766 61.300 -0.071 0.000 1.381 162 I CB 0.962 38.884 38.000 -0.130 0.000 1.417 162 I HN 0.279 8.501 8.210 0.020 0.000 0.540 163 V N 5.641 125.446 119.914 -0.182 0.000 2.850 163 V HA 0.180 4.180 4.120 -0.199 0.000 0.315 163 V C -0.486 175.482 176.094 -0.211 0.000 1.064 163 V CA -1.384 60.765 62.300 -0.251 0.000 0.979 163 V CB 2.807 34.332 31.823 -0.496 0.000 1.039 163 V HN -0.031 8.055 8.190 -0.172 0.000 0.452 164 E N 2.460 122.549 120.200 -0.185 0.000 2.384 164 E HA -0.043 4.235 4.350 -0.121 0.000 0.266 164 E C 1.079 177.606 176.600 -0.121 0.000 1.012 164 E CA 0.411 56.732 56.400 -0.131 0.000 0.901 164 E CB 0.254 29.894 29.700 -0.099 0.000 0.967 164 E HN 0.241 8.487 8.360 -0.189 0.000 0.435 165 R N 5.278 125.735 120.500 -0.072 0.000 2.096 165 R HA -0.330 3.995 4.340 -0.025 0.000 0.240 165 R C -0.415 175.878 176.300 -0.012 0.000 1.139 165 R CA 5.303 61.387 56.100 -0.026 0.000 0.952 165 R CB -2.472 27.834 30.300 0.010 0.000 0.854 165 R HN 0.529 8.759 8.270 -0.067 0.000 0.436 166 P HA -0.192 4.241 4.420 0.022 0.000 0.217 166 P C 1.474 178.776 177.300 0.003 0.000 1.151 166 P CA 2.922 66.024 63.100 0.003 0.000 0.849 166 P CB -0.631 31.067 31.700 -0.004 0.000 0.787 167 V N -1.706 118.180 119.914 -0.046 0.000 2.379 167 V HA -0.406 3.717 4.120 0.005 0.000 0.245 167 V C 2.044 178.098 176.094 -0.067 0.000 1.044 167 V CA 4.129 66.388 62.300 -0.068 0.000 1.036 167 V CB -0.492 31.229 31.823 -0.169 0.000 0.664 167 V HN -0.592 7.534 8.190 -0.071 0.021 0.453 168 c N -0.404 118.122 118.600 -0.123 0.000 2.432 168 c HA -0.314 4.212 4.570 -0.072 0.000 0.277 168 c C 2.790 177.047 174.090 0.278 0.000 1.249 168 c CA 3.309 59.643 56.329 0.008 0.000 1.725 168 c CB -1.962 40.525 42.510 -0.038 0.000 2.028 168 c HN -0.520 7.536 8.230 -0.146 0.087 0.477 169 K N -0.560 119.955 120.400 0.191 0.000 2.097 169 K HA -0.266 4.188 4.320 0.224 0.000 0.206 169 K C 2.325 179.019 176.600 0.157 0.000 1.049 169 K CA 3.224 59.619 56.287 0.181 0.000 0.933 169 K CB -0.357 32.212 32.500 0.115 0.000 0.717 169 K HN 0.062 8.382 8.250 0.117 0.000 0.442 170 D N -3.244 117.236 120.400 0.133 0.000 2.352 170 D HA 0.023 4.724 4.640 0.103 0.000 0.232 170 D C 0.339 176.735 176.300 0.160 0.000 1.055 170 D CA 1.716 55.789 54.000 0.122 0.000 0.891 170 D CB -0.655 40.199 40.800 0.091 0.000 0.897 170 D HN -0.376 7.974 8.370 0.111 0.087 0.529 171 S N -3.304 112.534 115.700 0.231 0.000 2.523 171 S HA 0.037 4.629 4.470 0.203 0.000 0.217 171 S C -0.629 174.109 174.600 0.230 0.000 0.996 171 S CA 0.620 58.978 58.200 0.264 0.000 0.921 171 S CB 2.032 65.498 63.200 0.442 0.000 0.829 171 S HN -0.347 7.922 8.310 0.259 0.196 0.495 172 T N 0.472 115.153 114.554 0.212 0.000 2.812 172 T HA 0.225 4.656 4.350 0.136 0.000 0.294 172 T C -1.296 173.457 174.700 0.089 0.000 1.159 172 T CA -0.987 61.208 62.100 0.157 0.000 1.008 172 T CB 2.364 71.355 68.868 0.205 0.000 1.289 172 T HN -0.785 7.580 8.240 0.209 0.000 0.514 173 R N 0.659 121.184 120.500 0.041 0.000 2.335 173 R HA 0.198 4.549 4.340 0.017 0.000 0.210 173 R C 0.430 176.709 176.300 -0.035 0.000 0.892 173 R CA 0.120 56.222 56.100 0.004 0.000 1.048 173 R CB 0.913 31.205 30.300 -0.014 0.000 1.067 173 R HN 0.285 8.577 8.270 0.037 0.000 0.524 174 I N 0.287 120.817 120.570 -0.067 0.000 2.696 174 I HA -0.149 3.923 4.170 -0.165 0.000 0.284 174 I C -0.767 175.297 176.117 -0.088 0.000 1.129 174 I CA -0.040 61.166 61.300 -0.156 0.000 1.410 174 I CB 0.643 38.427 38.000 -0.360 0.000 1.399 174 I HN -0.386 7.759 8.210 -0.036 0.043 0.579 175 R N 5.547 125.986 120.500 -0.101 0.000 2.288 175 R HA -0.101 4.232 4.340 -0.012 0.000 0.330 175 R C -1.033 175.267 176.300 -0.000 0.000 1.069 175 R CA -0.151 55.923 56.100 -0.042 0.000 0.941 175 R CB -0.265 30.000 30.300 -0.059 0.000 0.998 175 R HN 0.229 8.412 8.270 -0.145 0.000 0.452 176 I N 4.678 125.288 120.570 0.067 0.000 2.638 176 I HA 0.002 4.280 4.170 0.180 0.000 0.286 176 I C -0.004 176.175 176.117 0.103 0.000 1.088 176 I CA -1.256 60.131 61.300 0.145 0.000 1.397 176 I CB 0.070 38.200 38.000 0.218 0.000 1.414 176 I HN 0.067 8.319 8.210 0.069 0.000 0.566 177 T N 0.071 114.696 114.554 0.119 0.000 2.883 177 T HA 0.163 4.544 4.350 0.051 0.000 0.284 177 T C -0.154 174.604 174.700 0.097 0.000 1.041 177 T CA -2.275 59.870 62.100 0.075 0.000 1.007 177 T CB 2.842 71.736 68.868 0.043 0.000 1.220 177 T HN -0.406 7.934 8.240 0.167 0.000 0.552 178 D N -2.226 118.209 120.400 0.059 0.000 2.363 178 D HA -0.077 4.615 4.640 0.087 0.000 0.226 178 D C -0.139 176.205 176.300 0.074 0.000 1.020 178 D CA 1.779 55.814 54.000 0.058 0.000 0.892 178 D CB -0.384 40.419 40.800 0.004 0.000 0.900 178 D HN 0.253 8.643 8.370 0.033 0.000 0.531 179 N N -1.696 117.061 118.700 0.095 0.000 2.313 179 N HA 0.048 4.858 4.740 0.117 0.000 0.207 179 N C -1.645 174.014 175.510 0.247 0.000 1.141 179 N CA 0.010 53.142 53.050 0.136 0.000 0.830 179 N CB 0.539 39.068 38.487 0.069 0.000 1.008 179 N HN -0.600 7.754 8.380 0.081 0.075 0.481 180 M N -2.976 116.794 119.600 0.283 0.000 2.664 180 M HA 0.925 5.741 4.480 0.221 -0.204 0.279 180 M C -2.343 174.161 176.300 0.340 0.000 1.275 180 M CA -0.522 54.941 55.300 0.272 0.000 0.829 180 M CB 5.228 38.003 32.600 0.292 0.000 1.727 180 M HN -0.852 7.508 8.290 0.260 0.086 0.459 181 F N -4.913 115.100 119.950 0.105 0.000 2.711 181 F HA 0.658 5.185 4.527 -0.001 0.000 0.313 181 F C -2.950 172.735 175.800 -0.192 0.000 1.141 181 F CA -1.457 56.517 58.000 -0.043 0.000 0.941 181 F CB 2.445 41.354 39.000 -0.152 0.000 1.349 181 F HN -0.104 8.117 8.300 -0.133 0.000 0.464 182 c N -2.939 115.556 118.600 -0.175 0.000 2.971 182 c HA 1.126 5.530 4.570 -0.585 -0.184 0.310 182 c C -1.924 172.034 174.090 -0.220 0.000 1.285 182 c CA -3.797 52.204 56.329 -0.547 0.000 1.593 182 c CB 4.125 45.938 42.510 -1.163 0.000 2.076 182 c HN 0.477 8.688 8.230 -0.031 0.000 0.472 183 A N -0.008 122.739 122.820 -0.122 0.000 2.549 183 A HA 0.735 5.080 4.320 -0.084 -0.076 0.297 183 A C -2.466 175.176 177.584 0.097 0.000 1.061 183 A CA -0.643 51.383 52.037 -0.019 0.000 0.690 183 A CB 3.072 22.076 19.000 0.007 0.000 1.287 183 A HN 0.343 8.426 8.150 -0.113 0.000 0.402 184 Y N 2.105 122.509 120.300 0.174 0.000 2.298 184 Y HA 0.001 4.771 4.550 0.144 -0.134 0.329 184 Y C 0.444 176.455 175.900 0.185 0.000 1.293 184 Y CA -0.690 57.498 58.100 0.147 0.000 1.388 184 Y CB 1.806 40.319 38.460 0.088 0.000 1.309 184 Y HN 0.478 8.936 8.280 0.296 0.000 0.544 185 K N -1.605 119.001 120.400 0.343 0.000 2.379 185 K HA 0.015 4.522 4.320 0.311 0.000 0.194 185 K C 0.100 176.795 176.600 0.159 0.000 1.031 185 K CA -0.588 55.854 56.287 0.258 0.000 1.037 185 K CB 0.038 32.663 32.500 0.209 0.000 0.824 185 K HN 0.207 8.673 8.250 0.360 0.000 0.516 186 K N -1.498 118.730 120.400 -0.286 0.000 7.032 186 K HA -0.453 3.649 4.320 -0.363 0.000 0.575 186 K C -1.177 175.199 176.600 -0.373 0.000 2.581 186 K CA 1.082 57.032 56.287 -0.561 0.000 2.024 186 K CB -0.185 31.497 32.500 -1.364 0.000 2.044 186 K HN -0.021 8.100 8.250 -0.216 0.000 0.295 187 R N 1.216 121.599 120.500 -0.195 0.000 3.029 187 R HA 0.245 4.656 4.340 0.119 0.000 0.239 187 R C -1.568 174.829 176.300 0.162 0.000 1.351 187 R CA -1.557 54.568 56.100 0.043 0.000 1.052 187 R CB 2.057 32.371 30.300 0.023 0.000 1.354 187 R HN 0.070 8.207 8.270 -0.221 0.000 0.499 188 G N -1.543 107.357 108.800 0.167 0.000 2.379 188 G HA2 -0.166 4.170 3.960 0.120 0.000 0.609 188 G HA3 -0.166 3.925 3.960 0.218 0.000 0.609 188 G C -2.530 172.467 174.900 0.162 0.000 1.484 188 G CA -0.303 44.900 45.100 0.171 0.000 0.921 188 G HN 0.323 9.156 8.290 0.128 -0.467 0.658 189 D N -0.856 119.622 120.400 0.131 0.000 2.807 189 D HA 0.212 4.948 4.640 0.159 0.000 0.279 189 D C -2.489 173.878 176.300 0.112 0.000 1.247 189 D CA -0.221 53.854 54.000 0.124 0.000 0.749 189 D CB 3.237 44.087 40.800 0.084 0.000 1.264 189 D HN -0.197 8.242 8.370 0.115 0.000 0.421 190 A N -1.051 121.836 122.820 0.112 0.000 2.246 190 A HA 0.309 4.764 4.320 0.099 -0.075 0.291 190 A C -1.933 175.694 177.584 0.071 0.000 1.103 190 A CA -1.015 51.081 52.037 0.098 0.000 0.844 190 A CB 2.219 21.276 19.000 0.096 0.000 1.136 190 A HN 0.319 8.536 8.150 0.112 0.000 0.500 191 c N -2.831 115.814 118.600 0.075 0.000 3.292 191 c HA 0.297 4.908 4.570 0.069 0.000 0.369 191 c C -1.443 172.701 174.090 0.090 0.000 1.664 191 c CA -1.067 55.307 56.329 0.075 0.000 1.204 191 c CB 3.334 45.886 42.510 0.069 0.000 1.978 191 c HN 0.246 8.820 8.230 0.083 -0.293 0.435 192 E N 1.479 121.733 120.200 0.089 0.000 2.529 192 E HA -0.285 4.135 4.350 0.116 0.000 0.259 192 E C 0.678 177.342 176.600 0.108 0.000 0.966 192 E CA 2.056 58.517 56.400 0.100 0.000 0.937 192 E CB 0.674 30.424 29.700 0.084 0.000 0.923 192 E HN 0.347 8.755 8.360 0.079 0.000 0.468 193 G N 6.375 115.248 108.800 0.122 0.000 2.195 193 G HA2 -0.326 3.712 3.960 0.130 0.000 0.246 193 G HA3 -0.326 3.717 3.960 0.139 0.000 0.246 193 G C -0.103 174.890 174.900 0.154 0.000 0.984 193 G CA 0.885 46.067 45.100 0.136 0.000 0.633 193 G HN 0.839 9.206 8.290 0.129 0.000 0.525 194 D N -0.211 120.271 120.400 0.137 0.000 2.392 194 D HA 0.111 4.834 4.640 0.137 0.000 0.206 194 D C 0.310 176.692 176.300 0.137 0.000 1.046 194 D CA 0.663 54.742 54.000 0.131 0.000 0.865 194 D CB 1.221 42.086 40.800 0.108 0.000 0.969 194 D HN -0.077 8.291 8.370 0.129 0.080 0.509 195 S N -0.391 115.399 115.700 0.150 0.000 2.542 195 S HA -0.567 4.126 4.470 0.193 -0.108 0.287 195 S C 1.021 175.677 174.600 0.093 0.000 1.315 195 S CA 2.916 61.213 58.200 0.162 0.000 1.037 195 S CB 0.291 63.596 63.200 0.175 0.000 0.822 195 S HN -0.363 8.043 8.310 0.160 0.000 0.513 196 G N 2.307 111.162 108.800 0.091 0.000 2.304 196 G HA2 -0.480 3.618 3.960 0.082 0.000 0.252 196 G HA3 -0.480 3.669 3.960 0.059 -0.154 0.252 196 G C -0.057 174.933 174.900 0.149 0.000 1.014 196 G CA 0.314 45.468 45.100 0.089 0.000 0.619 196 G HN 0.493 8.865 8.290 0.138 0.000 0.525 197 G N 0.742 109.640 108.800 0.164 0.000 2.616 197 G HA2 0.356 4.426 3.960 0.184 0.000 0.268 197 G HA3 0.356 4.413 3.960 0.161 0.000 0.268 197 G C -2.746 172.288 174.900 0.222 0.000 1.213 197 G CA -2.012 43.197 45.100 0.182 0.000 0.926 197 G HN -0.530 7.742 8.290 0.153 0.110 0.523 198 P HA 0.435 5.160 4.420 0.256 -0.152 0.292 198 P C -2.045 175.410 177.300 0.259 0.000 1.283 198 P CA -1.322 61.919 63.100 0.234 0.000 0.835 198 P CB 1.606 33.414 31.700 0.179 0.000 1.017 199 F N 4.295 124.323 119.950 0.129 0.000 2.402 199 F HA 0.934 5.746 4.527 0.064 -0.247 0.355 199 F C -2.044 173.810 175.800 0.090 0.000 1.123 199 F CA -2.626 55.411 58.000 0.063 0.000 1.021 199 F CB 3.182 42.128 39.000 -0.090 0.000 1.160 199 F HN 0.332 8.784 8.300 0.389 0.081 0.451 200 V N 3.405 123.184 119.914 -0.225 0.000 3.074 200 V HA 0.958 5.277 4.120 0.109 -0.133 0.314 200 V C -2.206 173.881 176.094 -0.012 0.000 1.117 200 V CA -3.140 59.161 62.300 0.003 0.000 1.014 200 V CB 4.133 36.022 31.823 0.110 0.000 1.057 200 V HN 0.834 8.665 8.190 -0.420 0.107 0.438 201 M N -0.171 119.512 119.600 0.139 0.000 2.550 201 M HA 0.395 4.874 4.480 -0.001 0.000 0.292 201 M C -2.055 174.204 176.300 -0.068 0.000 1.221 201 M CA -0.495 54.823 55.300 0.031 0.000 0.873 201 M CB 5.238 37.847 32.600 0.016 0.000 1.727 201 M HN 0.412 8.818 8.290 0.193 0.000 0.459 202 K N 1.672 121.812 120.400 -0.433 0.000 2.293 202 K HA 0.342 4.339 4.320 -0.779 -0.145 0.267 202 K C -0.795 175.584 176.600 -0.368 0.000 1.010 202 K CA -1.147 54.661 56.287 -0.799 0.000 0.875 202 K CB 1.246 32.864 32.500 -1.470 0.000 1.106 202 K HN 0.314 8.341 8.250 -0.372 0.000 0.450 203 S N 7.159 122.758 115.700 -0.167 0.000 2.163 203 S HA -0.269 4.125 4.470 -0.127 0.000 0.151 203 S C 0.461 174.975 174.600 -0.144 0.000 1.382 203 S CA 1.425 59.568 58.200 -0.095 0.000 2.383 203 S CB 1.160 64.401 63.200 0.068 0.000 0.325 203 S HN 0.774 8.935 8.310 -0.079 0.102 0.349 204 N N -0.114 118.582 118.700 -0.007 0.000 2.244 204 N HA -0.353 4.385 4.740 -0.003 0.000 0.237 204 N C -0.465 175.038 175.510 -0.012 0.000 1.246 204 N CA 0.787 53.842 53.050 0.008 0.000 0.797 204 N CB -1.515 37.003 38.487 0.051 0.000 1.197 204 N HN 0.532 8.911 8.380 -0.001 0.000 0.608 205 N N -5.725 112.942 118.700 -0.055 0.000 2.693 205 N HA -0.481 4.278 4.740 -0.178 -0.126 0.249 205 N C -1.444 173.985 175.510 -0.135 0.000 1.119 205 N CA 1.627 54.609 53.050 -0.113 0.000 0.717 205 N CB -0.787 37.657 38.487 -0.072 0.000 1.071 205 N HN -0.203 8.139 8.380 -0.063 0.000 0.555 206 R N -3.562 116.879 120.500 -0.099 0.000 2.598 206 R HA 0.157 4.460 4.340 -0.061 0.000 0.279 206 R C -1.028 175.135 176.300 -0.229 0.000 0.984 206 R CA -1.190 54.822 56.100 -0.147 0.000 0.999 206 R CB 2.643 32.797 30.300 -0.245 0.000 1.114 206 R HN -0.518 7.700 8.270 -0.016 0.042 0.493 207 W N -0.428 120.729 121.300 -0.238 0.000 2.390 207 W HA 0.519 5.349 4.660 -0.059 -0.205 0.312 207 W C -0.191 176.034 176.519 -0.490 0.000 1.123 207 W CA -0.786 56.416 57.345 -0.238 0.000 1.202 207 W CB 1.341 30.658 29.460 -0.239 0.000 1.251 207 W HN 0.313 8.547 8.180 0.089 0.000 0.511 208 Y N 0.531 120.823 120.300 -0.014 0.000 2.485 208 Y HA 0.454 5.136 4.550 -0.089 -0.185 0.345 208 Y C -1.225 174.647 175.900 -0.047 0.000 0.998 208 Y CA -1.585 56.481 58.100 -0.056 0.000 1.059 208 Y CB 4.395 42.836 38.460 -0.032 0.000 1.234 208 Y HN 0.926 9.359 8.280 0.254 0.000 0.461 209 Q N 1.708 121.568 119.800 0.101 0.000 2.340 209 Q HA 0.403 4.927 4.340 0.103 -0.121 0.259 209 Q C -0.691 175.440 176.000 0.219 0.000 0.964 209 Q CA -1.136 54.729 55.803 0.104 0.000 0.900 209 Q CB 1.908 30.666 28.738 0.033 0.000 1.228 209 Q HN 0.438 8.771 8.270 0.105 0.000 0.449 210 M N 4.929 124.707 119.600 0.297 0.000 2.545 210 M HA 0.142 4.741 4.480 0.197 0.000 0.264 210 M C -0.530 175.991 176.300 0.368 0.000 1.155 210 M CA -0.345 55.113 55.300 0.264 0.000 1.162 210 M CB 0.796 33.498 32.600 0.171 0.000 1.330 210 M HN 0.159 8.663 8.290 0.357 0.000 0.479 211 G N -3.561 105.522 108.800 0.472 0.000 2.733 211 G HA2 0.641 5.006 3.960 0.318 0.000 0.288 211 G HA3 0.641 4.679 3.960 0.130 0.000 0.288 211 G C -3.096 172.000 174.900 0.327 0.000 1.373 211 G CA -1.025 44.276 45.100 0.335 0.000 0.895 211 G HN -0.419 8.209 8.290 0.562 0.000 0.479 212 I N -1.262 119.473 120.570 0.274 0.000 2.545 212 I HA 0.657 5.209 4.170 0.284 -0.211 0.292 212 I C -0.456 175.818 176.117 0.263 0.000 1.040 212 I CA -1.493 59.967 61.300 0.266 0.000 1.068 212 I CB 4.475 42.600 38.000 0.207 0.000 1.251 212 I HN -0.436 7.966 8.210 0.197 -0.074 0.424 213 V N 6.121 126.179 119.914 0.241 0.000 2.529 213 V HA -0.164 3.779 4.120 -0.295 0.000 0.292 213 V C -1.096 175.038 176.094 0.066 0.000 1.028 213 V CA 1.842 64.159 62.300 0.030 0.000 1.074 213 V CB -0.733 31.159 31.823 0.115 0.000 0.958 213 V HN 0.550 8.895 8.190 0.258 0.000 0.481 214 S N 6.978 122.633 115.700 -0.076 0.000 2.942 214 S HA 0.295 4.980 4.470 0.360 0.000 0.220 214 S C -0.881 173.816 174.600 0.163 0.000 0.945 214 S CA 1.267 59.559 58.200 0.155 0.000 0.851 214 S CB 2.360 65.653 63.200 0.155 0.000 0.820 214 S HN 0.054 8.118 8.310 -0.411 0.000 0.624 215 W N -2.430 118.793 121.300 -0.128 0.000 2.961 215 W HA 0.342 4.925 4.660 -0.128 0.000 0.368 215 W C -2.203 174.306 176.519 -0.017 0.000 1.213 215 W CA -1.062 56.215 57.345 -0.113 0.000 1.173 215 W CB 1.438 30.802 29.460 -0.159 0.000 1.487 215 W HN -0.454 7.524 8.180 -0.335 0.000 0.585 216 G N -1.801 107.221 108.800 0.369 0.000 2.466 216 G HA2 0.058 4.142 3.960 0.206 0.000 0.291 216 G HA3 0.058 4.079 3.960 0.101 0.000 0.291 216 G C -1.601 173.488 174.900 0.315 0.000 1.460 216 G CA -0.284 44.960 45.100 0.240 0.000 0.791 216 G HN -0.286 8.306 8.290 0.503 0.000 0.505 220 c N 1.695 120.322 118.600 0.045 0.000 3.114 220 c HA 0.349 5.095 4.570 0.046 -0.148 0.215 220 c C -1.155 172.955 174.090 0.033 0.000 1.759 220 c CA -1.116 55.239 56.329 0.043 0.000 1.455 220 c CB -1.069 41.470 42.510 0.048 0.000 2.528 220 c HN 0.092 8.659 8.230 0.040 -0.313 0.511 221 R N -1.090 119.402 120.500 -0.014 0.000 2.858 221 R HA 0.191 4.527 4.340 -0.008 0.000 0.252 221 R C -2.055 174.209 176.300 -0.060 0.000 1.063 221 R CA -0.313 55.775 56.100 -0.021 0.000 0.955 221 R CB 2.791 33.086 30.300 -0.009 0.000 1.259 221 R HN -0.282 7.981 8.270 -0.013 0.000 0.477 222 D N 1.642 122.015 120.400 -0.045 0.000 2.414 222 D HA -0.079 4.513 4.640 -0.081 0.000 0.242 222 D C 1.142 177.383 176.300 -0.097 0.000 1.129 222 D CA 1.375 55.336 54.000 -0.064 0.000 0.885 222 D CB 0.228 41.013 40.800 -0.024 0.000 1.198 222 D HN 0.044 8.400 8.370 -0.023 0.000 0.437 223 G N 0.738 109.440 108.800 -0.163 0.000 2.253 223 G HA2 -0.416 3.491 3.960 -0.088 0.000 0.251 223 G HA3 -0.416 3.511 3.960 -0.055 0.000 0.251 223 G C -0.531 174.182 174.900 -0.311 0.000 0.998 223 G CA 0.197 45.208 45.100 -0.149 0.000 0.621 223 G HN 0.400 8.579 8.290 -0.184 0.000 0.524 224 K N -0.583 119.578 120.400 -0.399 0.000 2.185 224 K HA 0.330 4.550 4.320 -0.166 0.000 0.240 224 K C -1.319 174.840 176.600 -0.736 0.000 0.983 224 K CA -1.134 54.946 56.287 -0.345 0.000 0.873 224 K CB 2.103 34.554 32.500 -0.082 0.000 1.118 224 K HN -0.649 7.320 8.250 -0.311 0.094 0.441 225 Y N -2.460 117.860 120.300 0.033 0.000 2.638 225 Y HA 0.103 4.604 4.550 -0.082 0.000 0.339 225 Y C -1.084 174.678 175.900 -0.230 0.000 1.084 225 Y CA -0.618 57.396 58.100 -0.143 0.000 1.068 225 Y CB 3.618 41.872 38.460 -0.342 0.000 1.294 225 Y HN 0.147 8.507 8.280 0.133 0.000 0.480 226 G N -1.576 107.134 108.800 -0.150 0.000 2.356 226 G HA2 0.488 4.414 3.960 -0.229 0.000 0.322 226 G HA3 0.488 4.306 3.960 -0.237 0.000 0.322 226 G C -2.397 172.090 174.900 -0.689 0.000 1.125 226 G CA -1.432 43.482 45.100 -0.310 0.000 0.885 226 G HN -0.020 8.258 8.290 -0.020 0.000 0.467 227 F N 2.382 121.773 119.950 -0.931 0.000 2.450 227 F HA 0.873 5.240 4.527 -0.590 -0.194 0.332 227 F C -0.509 174.643 175.800 -1.081 0.000 1.093 227 F CA -1.432 55.970 58.000 -0.998 0.000 1.003 227 F CB 3.515 41.483 39.000 -1.720 0.000 1.151 227 F HN 0.573 8.499 8.300 -0.624 0.000 0.474 228 Y N 0.112 120.039 120.300 -0.621 0.000 2.536 228 Y HA 0.684 5.176 4.550 -0.314 -0.131 0.347 228 Y C 0.099 175.757 175.900 -0.404 0.000 1.000 228 Y CA -1.789 55.949 58.100 -0.603 0.000 1.051 228 Y CB 3.402 41.164 38.460 -1.162 0.000 1.259 228 Y HN 0.828 8.830 8.280 -0.463 0.000 0.468 229 T N 3.287 117.843 114.554 0.003 0.000 2.913 229 T HA -0.007 4.563 4.350 0.151 -0.130 0.297 229 T C -0.890 173.930 174.700 0.199 0.000 1.029 229 T CA 1.099 63.276 62.100 0.129 0.000 1.104 229 T CB 0.762 69.731 68.868 0.168 0.000 0.964 229 T HN 0.345 8.617 8.240 0.054 0.000 0.532 230 H N 7.075 126.282 119.070 0.228 0.000 2.872 230 H HA 0.131 5.022 4.556 0.559 0.000 0.273 230 H C 0.474 175.961 175.328 0.265 0.000 1.205 230 H CA -0.787 55.473 56.048 0.354 0.000 1.342 230 H CB -0.293 29.648 29.762 0.298 0.000 1.469 230 H HN 0.124 8.525 8.280 0.340 0.084 0.487 231 V N 7.707 127.856 119.914 0.393 0.000 2.287 231 V HA -0.497 3.800 4.120 0.295 0.000 0.248 231 V C 1.872 178.179 176.094 0.354 0.000 1.053 231 V CA 4.421 66.923 62.300 0.337 0.000 1.027 231 V CB -0.274 31.721 31.823 0.288 0.000 0.646 231 V HN 0.024 8.420 8.190 0.344 0.000 0.447 232 F N -0.542 119.611 119.950 0.339 0.000 2.216 232 F HA -0.265 4.371 4.527 0.181 0.000 0.300 232 F C 1.447 177.370 175.800 0.205 0.000 1.085 232 F CA 2.788 60.940 58.000 0.254 0.000 1.326 232 F CB -0.104 39.037 39.000 0.235 0.000 1.027 232 F HN -0.350 8.293 8.300 0.572 0.000 0.497 233 R N -3.200 117.343 120.500 0.072 0.000 2.280 233 R HA -0.192 3.938 4.340 -0.349 0.000 0.207 233 R C 0.873 177.122 176.300 -0.085 0.000 1.043 233 R CA 2.117 58.112 56.100 -0.176 0.000 1.006 233 R CB -0.115 30.078 30.300 -0.177 0.000 0.885 233 R HN -0.557 7.994 8.270 0.474 0.002 0.467 234 L N -3.820 117.428 121.223 0.042 0.000 2.769 234 L HA 0.331 4.765 4.340 0.156 0.000 0.240 234 L C -0.046 176.940 176.870 0.194 0.000 1.163 234 L CA -0.835 54.102 54.840 0.161 0.000 0.962 234 L CB -0.025 42.175 42.059 0.234 0.000 1.258 234 L HN -0.451 7.682 8.230 0.108 0.162 0.513 235 K N 1.080 121.488 120.400 0.013 0.000 2.097 235 K HA -0.405 3.958 4.320 0.071 0.000 0.206 235 K C 1.185 177.773 176.600 -0.021 0.000 1.049 235 K CA 4.084 60.365 56.287 -0.009 0.000 0.933 235 K CB -0.155 32.268 32.500 -0.129 0.000 0.717 235 K HN -0.672 7.325 8.250 -0.120 0.181 0.442 236 K N -2.602 117.776 120.400 -0.038 0.000 2.057 236 K HA -0.287 3.998 4.320 -0.059 0.000 0.207 236 K C 1.925 178.529 176.600 0.006 0.000 1.049 236 K CA 3.161 59.432 56.287 -0.025 0.000 0.931 236 K CB -0.976 31.515 32.500 -0.016 0.000 0.714 236 K HN 0.284 8.483 8.250 -0.085 0.000 0.440 237 W N -0.021 121.240 121.300 -0.065 0.000 2.335 237 W HA -0.288 4.311 4.660 -0.101 0.000 0.311 237 W C 1.595 178.046 176.519 -0.114 0.000 1.213 237 W CA 2.944 60.237 57.345 -0.086 0.000 1.274 237 W CB -0.229 29.192 29.460 -0.066 0.000 1.148 237 W HN -0.464 7.868 8.180 0.258 0.003 0.498 238 I N -1.580 118.862 120.570 -0.214 0.000 2.099 238 I HA -0.771 2.822 4.170 -0.962 0.000 0.239 238 I C 2.067 177.865 176.117 -0.531 0.000 1.066 238 I CA 4.156 65.158 61.300 -0.497 0.000 1.324 238 I CB -0.367 37.555 38.000 -0.130 0.000 1.037 238 I HN -0.563 7.658 8.210 0.156 0.083 0.401 239 Q N -1.633 117.976 119.800 -0.317 0.000 2.152 239 Q HA -0.459 3.700 4.340 -0.301 0.000 0.206 239 Q C 2.388 178.185 176.000 -0.339 0.000 0.985 239 Q CA 3.317 58.950 55.803 -0.284 0.000 0.863 239 Q CB -0.325 28.315 28.738 -0.163 0.000 0.904 239 Q HN 0.034 8.182 8.270 -0.205 0.000 0.422 240 K N 0.025 120.217 120.400 -0.347 0.000 2.009 240 K HA -0.311 3.973 4.320 -0.274 -0.128 0.210 240 K C 3.059 179.381 176.600 -0.465 0.000 1.049 240 K CA 3.098 59.180 56.287 -0.342 0.000 0.929 240 K CB 0.026 32.369 32.500 -0.262 0.000 0.714 240 K HN -0.189 7.859 8.250 -0.317 0.012 0.440 241 V N -0.777 118.764 119.914 -0.621 0.000 2.626 241 V HA -0.305 3.616 4.120 -0.331 0.000 0.252 241 V C 1.349 177.125 176.094 -0.530 0.000 1.067 241 V CA 2.984 64.966 62.300 -0.529 0.000 1.081 241 V CB 0.077 31.412 31.823 -0.815 0.000 0.686 241 V HN -0.473 7.233 8.190 -0.808 0.000 0.468 242 I N -2.187 117.966 120.570 -0.696 0.000 2.928 242 I HA -0.321 3.383 4.170 -0.777 0.000 0.266 242 I C 0.250 176.195 176.117 -0.286 0.000 1.234 242 I CA 2.454 63.345 61.300 -0.682 0.000 1.483 242 I CB -0.218 37.254 38.000 -0.881 0.000 1.097 242 I HN -0.293 7.476 8.210 -0.708 0.016 0.455 243 D N -3.508 116.717 120.400 -0.292 0.000 2.469 243 D HA 0.041 4.611 4.640 -0.117 0.000 0.215 243 D C 0.292 176.444 176.300 -0.247 0.000 1.154 243 D CA 0.183 54.066 54.000 -0.194 0.000 0.832 243 D CB 0.123 40.823 40.800 -0.167 0.000 1.008 243 D HN -0.498 7.513 8.370 -0.367 0.140 0.506 244 Q N -2.513 117.039 119.800 -0.413 0.000 2.391 244 Q HA 0.090 4.171 4.340 -0.432 0.000 0.243 244 Q C -0.785 174.767 176.000 -0.745 0.000 0.874 244 Q CA 0.845 56.249 55.803 -0.665 0.000 0.950 244 Q CB 2.037 30.172 28.738 -1.005 0.000 1.103 244 Q HN -0.400 7.543 8.270 -0.428 0.070 0.544 245 F N 0.000 119.938 119.950 -0.020 0.000 2.286 245 F HA 0.000 4.585 4.527 0.097 0.000 0.279 245 F CA 0.000 58.058 58.000 0.097 0.000 1.383 245 F CB 0.000 39.072 39.000 0.120 0.000 1.145 245 F HN 0.000 8.143 8.300 -0.261 0.000 0.574