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 1qga_1_A DATA FIRST_RESID 1 DATA SEQUENCE QVTTEAPAKV VKHSKKQDEN IVVNKFKPKE PYVGRCLLNT KITGDDAPGE DATA SEQUENCE TWHMVFSTEG EVPYREGQSI GIVPDGIDKN GKPHKLRLYS IASSAIGDFG DATA SEQUENCE DSKTVSLCVK RLVYTNDAGE VVKGVCSNFL CDLKPGSEVK ITGPVGKEML DATA SEQUENCE MPKDPNATVI MLGTGTGIAP FRSFLWKMFF EKHEDYQFNG LAWLFLGVPT DATA SEQUENCE SSSLLYKEEF EKMKEKAPEN FRLDFAVSRE QVNDKGEKMY IQTRMAQYAE DATA SEQUENCE ELWELLKKDN TFVYMCGLKG MEKGIDDIMV SLAAKDGIDW IEYKRTLKKA DATA SEQUENCE EQWNVEVW 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 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1 Q C 0.000 176.001 176.000 0.002 0.000 1.003 1 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 1 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 2 V N 0.712 120.627 119.914 0.002 0.000 3.528 2 V HA 0.135 3.960 4.120 -0.492 0.000 0.294 2 V C 0.414 176.509 176.094 0.002 0.000 1.404 2 V CA 1.480 63.781 62.300 0.002 0.000 1.065 2 V CB 1.069 32.893 31.823 0.002 0.000 0.904 2 V HN 0.720 8.910 8.190 0.000 0.000 0.435 3 T N -2.741 111.814 114.554 0.003 0.000 2.924 3 T HA 0.674 4.729 4.350 -0.492 0.000 0.291 3 T C -0.440 174.261 174.700 0.003 0.000 1.045 3 T CA -0.538 61.563 62.100 0.003 0.000 1.015 3 T CB 2.432 71.302 68.868 0.003 0.000 1.103 3 T HN 0.020 8.260 8.240 0.000 0.000 0.496 4 T N 0.203 114.759 114.554 0.003 0.000 2.889 4 T HA 0.461 4.516 4.350 -0.492 0.000 0.315 4 T C -1.794 172.909 174.700 0.004 0.000 1.291 4 T CA -0.578 61.524 62.100 0.004 0.000 1.028 4 T CB 1.999 70.870 68.868 0.004 0.000 1.235 4 T HN 0.950 9.190 8.240 0.000 0.000 0.491 5 E N 2.937 123.140 120.200 0.005 0.000 2.079 5 E HA 0.647 4.702 4.350 -0.492 0.000 0.252 5 E C 0.121 176.725 176.600 0.006 0.000 0.992 5 E CA -0.623 55.780 56.400 0.006 0.000 0.829 5 E CB 0.186 29.890 29.700 0.006 0.000 1.158 5 E HN 0.800 9.160 8.360 0.000 0.000 0.435 6 A N 5.239 128.063 122.820 0.006 0.000 2.566 6 A HA 0.165 4.190 4.320 -0.492 0.000 0.245 6 A C -1.858 175.730 177.584 0.007 0.000 1.056 6 A CA -0.831 51.210 52.037 0.006 0.000 0.757 6 A CB -0.426 18.578 19.000 0.006 0.000 0.979 6 A HN 0.615 8.765 8.150 0.000 0.000 0.508 7 P HA 0.220 4.640 4.420 0.000 0.000 0.264 7 P C 0.004 177.310 177.300 0.009 0.000 1.183 7 P CA 0.626 63.731 63.100 0.008 0.000 0.763 7 P CB 0.527 32.231 31.700 0.007 0.000 0.807 8 A N 3.474 126.301 122.820 0.011 0.000 2.488 8 A HA 0.131 4.156 4.320 -0.492 0.000 0.249 8 A C 0.543 178.136 177.584 0.014 0.000 1.083 8 A CA -0.240 51.805 52.037 0.013 0.000 0.768 8 A CB -0.169 18.840 19.000 0.016 0.000 1.017 8 A HN 0.550 8.700 8.150 0.000 0.000 0.496 9 K N 2.570 122.979 120.400 0.014 0.000 2.382 9 K HA 0.267 4.292 4.320 -0.492 0.000 0.275 9 K C -0.193 176.418 176.600 0.018 0.000 1.009 9 K CA -0.319 55.977 56.287 0.015 0.000 0.970 9 K CB 0.596 33.104 32.500 0.014 0.000 0.934 9 K HN 0.479 8.729 8.250 0.000 0.000 0.479 10 V N 5.427 125.352 119.914 0.018 0.000 2.585 10 V HA 0.191 4.016 4.120 -0.492 0.000 0.296 10 V C -0.724 175.386 176.094 0.027 0.000 1.035 10 V CA 0.064 62.377 62.300 0.022 0.000 1.084 10 V CB 1.143 32.977 31.823 0.019 0.000 0.953 10 V HN 0.576 8.766 8.190 0.000 0.000 0.483 11 V N 7.141 127.075 119.914 0.035 0.000 2.808 11 V HA 0.481 4.306 4.120 -0.492 0.000 0.308 11 V C -0.209 175.922 176.094 0.061 0.000 1.099 11 V CA -1.133 61.192 62.300 0.042 0.000 0.920 11 V CB 2.133 33.978 31.823 0.037 0.000 1.014 11 V HN 1.012 9.202 8.190 0.000 0.000 0.425 12 K N 5.292 125.727 120.400 0.059 0.000 2.412 12 K HA 0.152 4.177 4.320 -0.492 0.000 0.281 12 K C 0.160 176.826 176.600 0.109 0.000 1.027 12 K CA -0.136 56.200 56.287 0.082 0.000 0.989 12 K CB 0.243 32.782 32.500 0.064 0.000 0.935 12 K HN 0.909 9.159 8.250 0.000 0.000 0.475 13 H N 2.425 121.515 119.070 0.033 0.000 2.886 13 H HA 0.041 4.302 4.556 -0.491 0.000 0.329 13 H C -1.145 174.214 175.328 0.053 0.000 1.044 13 H CA 0.569 56.641 56.048 0.040 0.000 1.456 13 H CB 1.000 30.785 29.762 0.039 0.000 1.464 13 H HN 0.511 8.791 8.280 0.000 0.000 0.573 14 S N 3.667 119.161 115.700 -0.344 0.000 2.561 14 S HA 0.231 4.406 4.470 -0.492 0.000 0.303 14 S C 0.400 174.869 174.600 -0.219 0.000 1.110 14 S CA -0.887 57.199 58.200 -0.190 0.000 1.034 14 S CB 0.931 64.088 63.200 -0.072 0.000 1.010 14 S HN 0.781 9.091 8.310 0.000 0.000 0.482 15 K N 2.312 122.690 120.400 -0.037 0.000 2.459 15 K HA 0.130 4.155 4.320 -0.492 0.000 0.193 15 K C 0.123 176.712 176.600 -0.019 0.000 1.030 15 K CA 0.517 56.839 56.287 0.057 0.000 1.026 15 K CB 0.122 32.821 32.500 0.332 0.000 0.809 15 K HN 0.329 8.579 8.250 0.000 0.000 0.504 16 K N 1.280 121.662 120.400 -0.031 0.000 2.098 16 K HA 0.150 4.175 4.320 -0.492 0.000 0.261 16 K C -0.311 176.242 176.600 -0.080 0.000 0.987 16 K CA -0.323 55.921 56.287 -0.071 0.000 0.916 16 K CB 1.071 33.573 32.500 0.004 0.000 1.039 16 K HN -0.031 8.219 8.250 0.000 0.000 0.455 17 Q N 2.442 122.170 119.800 -0.119 0.000 2.903 17 Q HA -0.044 4.001 4.340 -0.492 0.000 0.243 17 Q C -0.435 175.517 176.000 -0.081 0.000 1.366 17 Q CA 0.098 55.830 55.803 -0.119 0.000 0.898 17 Q CB -0.233 28.384 28.738 -0.201 0.000 1.718 17 Q HN 0.484 8.754 8.270 0.000 0.000 0.557 18 D N -1.026 119.343 120.400 -0.051 0.000 2.395 18 D HA -0.027 4.318 4.640 -0.492 0.000 0.213 18 D C 0.016 176.300 176.300 -0.026 0.000 1.110 18 D CA -0.276 53.706 54.000 -0.028 0.000 0.835 18 D CB 0.285 41.077 40.800 -0.013 0.000 0.965 18 D HN 0.112 8.482 8.370 0.000 0.000 0.505 19 E N 1.581 121.761 120.200 -0.033 0.000 2.292 19 E HA 0.096 4.151 4.350 -0.492 0.000 0.265 19 E C -0.077 176.510 176.600 -0.022 0.000 1.093 19 E CA 0.142 56.528 56.400 -0.024 0.000 0.922 19 E CB -0.329 29.358 29.700 -0.022 0.000 1.001 19 E HN 0.025 8.385 8.360 0.000 0.000 0.444 20 N N 2.578 121.269 118.700 -0.015 0.000 2.776 20 N HA -0.251 4.194 4.740 -0.492 0.000 0.249 20 N C -0.152 175.349 175.510 -0.014 0.000 1.111 20 N CA 0.602 53.644 53.050 -0.014 0.000 0.711 20 N CB -1.879 36.598 38.487 -0.016 0.000 1.065 20 N HN 0.616 8.996 8.380 0.000 0.000 0.556 21 I N 0.321 120.885 120.570 -0.010 0.000 2.813 21 I HA 0.052 3.927 4.170 -0.492 0.000 0.287 21 I C 0.026 176.146 176.117 0.005 0.000 1.196 21 I CA -0.060 61.239 61.300 -0.002 0.000 1.421 21 I CB 0.614 38.617 38.000 0.005 0.000 1.365 21 I HN -0.125 8.085 8.210 0.000 0.000 0.591 22 V N 7.803 127.727 119.914 0.016 0.000 2.444 22 V HA 0.428 4.253 4.120 -0.492 0.000 0.294 22 V C -0.335 175.783 176.094 0.040 0.000 1.022 22 V CA -0.494 61.818 62.300 0.020 0.000 0.850 22 V CB 1.540 33.373 31.823 0.016 0.000 0.992 22 V HN 0.591 8.781 8.190 0.000 0.000 0.426 23 V N 1.184 121.117 119.914 0.031 0.000 2.962 23 V HA 0.648 4.473 4.120 -0.492 0.000 0.313 23 V C -0.028 176.084 176.094 0.031 0.000 1.099 23 V CA -1.227 61.099 62.300 0.042 0.000 0.971 23 V CB 1.503 33.349 31.823 0.038 0.000 1.028 23 V HN 0.895 9.085 8.190 0.000 0.000 0.430 24 N N 0.448 119.177 118.700 0.048 0.000 2.727 24 N HA -0.218 4.227 4.740 -0.492 0.000 0.249 24 N C 0.855 176.370 175.510 0.007 0.000 1.048 24 N CA 1.013 54.089 53.050 0.043 0.000 0.714 24 N CB -0.902 37.602 38.487 0.028 0.000 0.959 24 N HN 0.892 9.272 8.380 0.000 0.000 0.544 25 K N -0.236 120.159 120.400 -0.008 0.000 2.025 25 K HA -0.008 4.017 4.320 -0.492 0.000 0.207 25 K C -0.168 176.248 176.600 -0.308 0.000 1.049 25 K CA 1.084 57.250 56.287 -0.202 0.000 0.933 25 K CB 0.132 32.465 32.500 -0.278 0.000 0.714 25 K HN 0.235 8.485 8.250 0.000 0.000 0.438 26 F N 1.388 121.368 119.950 0.051 0.000 2.436 26 F HA 0.320 4.551 4.527 -0.494 0.000 0.340 26 F C -0.026 175.802 175.800 0.047 0.000 1.113 26 F CA -1.010 57.027 58.000 0.063 0.000 1.022 26 F CB 1.588 40.650 39.000 0.103 0.000 1.128 26 F HN -0.289 8.011 8.300 0.000 0.000 0.466 27 K N 4.007 124.527 120.400 0.200 0.000 2.139 27 K HA 0.407 4.432 4.320 -0.492 0.000 0.243 27 K C -1.836 174.828 176.600 0.108 0.000 0.983 27 K CA -1.921 54.437 56.287 0.117 0.000 0.890 27 K CB 0.724 33.264 32.500 0.067 0.000 1.090 27 K HN 0.131 8.381 8.250 0.000 0.000 0.445 28 P HA -0.209 4.211 4.420 0.000 0.000 0.219 28 P C 0.111 177.433 177.300 0.036 0.000 1.146 28 P CA 1.278 64.407 63.100 0.048 0.000 0.808 28 P CB 0.272 31.990 31.700 0.031 0.000 0.779 29 K N 1.187 121.609 120.400 0.037 0.000 2.063 29 K HA -0.139 3.886 4.320 -0.492 0.000 0.208 29 K C 1.160 177.778 176.600 0.031 0.000 1.048 29 K CA 1.351 57.653 56.287 0.026 0.000 0.928 29 K CB -0.830 31.686 32.500 0.026 0.000 0.713 29 K HN 0.488 8.738 8.250 0.000 0.000 0.442 30 E N 1.270 121.507 120.200 0.061 0.000 3.117 30 E HA 0.272 4.327 4.350 -0.492 0.000 0.262 30 E C -2.738 173.948 176.600 0.143 0.000 1.202 30 E CA -1.801 54.645 56.400 0.076 0.000 0.853 30 E CB 1.273 31.021 29.700 0.079 0.000 1.426 30 E HN -0.023 8.337 8.360 0.000 0.000 0.387 31 P HA -0.002 4.418 4.420 0.000 0.000 0.274 31 P C -0.705 176.583 177.300 -0.020 0.000 1.237 31 P CA -0.391 62.758 63.100 0.082 0.000 0.793 31 P CB 0.708 32.415 31.700 0.011 0.000 0.977 32 Y N 2.023 122.105 120.300 -0.364 0.000 2.442 32 Y HA 0.221 4.476 4.550 -0.491 0.000 0.330 32 Y C -0.466 175.248 175.900 -0.311 0.000 1.129 32 Y CA -0.005 57.746 58.100 -0.583 0.000 1.365 32 Y CB 0.486 38.098 38.460 -1.414 0.000 1.233 32 Y HN 0.042 8.322 8.280 0.000 0.000 0.529 33 V N 7.826 127.079 119.914 -1.102 0.000 2.333 33 V HA 0.532 4.357 4.120 -0.492 0.000 0.274 33 V C 0.587 176.235 176.094 -0.744 0.000 1.028 33 V CA 0.047 61.949 62.300 -0.664 0.000 0.851 33 V CB 0.472 32.047 31.823 -0.414 0.000 1.000 33 V HN 1.025 9.215 8.190 0.000 0.000 0.456 34 G N 4.911 113.538 108.800 -0.288 0.000 2.887 34 G HA2 0.762 4.427 3.960 -0.492 0.000 0.277 34 G HA3 0.762 4.427 3.960 -0.492 0.000 0.277 34 G C -0.724 174.103 174.900 -0.122 0.000 1.346 34 G CA -0.858 44.234 45.100 -0.013 0.000 1.058 34 G HN 0.552 8.842 8.290 0.000 0.000 0.535 35 R N -1.959 118.509 120.500 -0.055 0.000 2.837 35 R HA 0.464 4.509 4.340 -0.492 0.000 0.271 35 R C -1.303 174.998 176.300 0.002 0.000 0.993 35 R CA -0.612 55.442 56.100 -0.076 0.000 0.931 35 R CB 2.155 32.431 30.300 -0.040 0.000 1.206 35 R HN 0.535 8.805 8.270 0.000 0.000 0.474 36 C N 3.352 122.651 119.300 -0.001 0.000 2.394 36 C HA 0.342 4.507 4.460 -0.492 0.000 0.362 36 C C 1.484 176.546 174.990 0.120 0.000 1.268 36 C CA -0.411 58.700 59.018 0.156 0.000 1.828 36 C CB -0.934 26.855 27.740 0.082 0.000 2.442 36 C HN 0.817 9.047 8.230 0.000 0.000 0.549 37 L N 4.810 126.130 121.223 0.162 0.000 2.253 37 L HA 0.266 4.311 4.340 -0.492 0.000 0.205 37 L C 0.197 177.156 176.870 0.147 0.000 1.078 37 L CA 0.484 55.400 54.840 0.127 0.000 0.805 37 L CB -0.395 41.742 42.059 0.132 0.000 0.963 37 L HN 0.721 8.951 8.230 0.000 0.000 0.459 38 L N -4.262 117.054 121.223 0.155 0.000 2.622 38 L HA 0.648 4.693 4.340 -0.492 0.000 0.258 38 L C -1.232 175.715 176.870 0.128 0.000 0.996 38 L CA -0.710 54.214 54.840 0.139 0.000 0.858 38 L CB 1.705 43.856 42.059 0.153 0.000 1.449 38 L HN -0.245 7.985 8.230 0.000 0.000 0.411 39 N N 0.163 118.957 118.700 0.156 0.000 2.572 39 N HA 0.633 5.077 4.740 -0.492 0.000 0.287 39 N C -1.822 173.898 175.510 0.350 0.000 1.136 39 N CA -0.034 53.145 53.050 0.215 0.000 0.900 39 N CB 2.060 40.639 38.487 0.153 0.000 1.484 39 N HN 0.954 9.334 8.380 0.000 0.000 0.526 40 T N 0.511 115.253 114.554 0.312 0.000 2.861 40 T HA 0.390 4.445 4.350 -0.492 0.000 0.287 40 T C -0.057 174.484 174.700 -0.264 0.000 1.003 40 T CA -0.792 61.361 62.100 0.088 0.000 0.977 40 T CB 2.144 71.016 68.868 0.007 0.000 0.996 40 T HN 0.299 8.539 8.240 0.000 0.000 0.448 41 K N 2.411 122.240 120.400 -0.953 0.000 2.339 41 K HA 0.305 4.330 4.320 -0.492 0.000 0.286 41 K C 0.902 177.147 176.600 -0.593 0.000 1.050 41 K CA -0.513 54.980 56.287 -1.324 0.000 0.956 41 K CB 0.246 31.714 32.500 -1.720 0.000 0.990 41 K HN 0.764 9.014 8.250 0.000 0.000 0.475 42 I N 0.394 120.696 120.570 -0.447 0.000 3.956 42 I HA 0.093 3.968 4.170 -0.492 0.000 0.333 42 I C 0.230 176.176 176.117 -0.286 0.000 1.302 42 I CA -0.555 60.551 61.300 -0.323 0.000 1.122 42 I CB 0.393 38.188 38.000 -0.342 0.000 1.013 42 I HN 0.337 8.547 8.210 0.000 0.000 0.405 43 T N -0.793 113.591 114.554 -0.282 0.000 2.925 43 T HA 0.698 4.753 4.350 -0.492 0.000 0.285 43 T C 0.533 175.127 174.700 -0.177 0.000 1.021 43 T CA -0.364 61.617 62.100 -0.197 0.000 1.042 43 T CB 1.702 70.483 68.868 -0.146 0.000 1.037 43 T HN 0.208 8.448 8.240 0.000 0.000 0.481 44 G N 0.682 109.407 108.800 -0.124 0.000 2.527 44 G HA2 0.269 3.934 3.960 -0.492 0.000 0.248 44 G HA3 0.269 3.934 3.960 -0.492 0.000 0.248 44 G C 0.400 175.251 174.900 -0.082 0.000 1.231 44 G CA -0.653 44.387 45.100 -0.100 0.000 0.838 44 G HN 0.765 9.055 8.290 0.000 0.000 0.570 45 D N 0.678 121.037 120.400 -0.069 0.000 2.265 45 D HA -0.111 4.234 4.640 -0.492 0.000 0.208 45 D C 1.865 178.150 176.300 -0.024 0.000 0.977 45 D CA 1.572 55.546 54.000 -0.044 0.000 0.871 45 D CB 0.023 40.803 40.800 -0.033 0.000 0.925 45 D HN 0.652 9.022 8.370 0.000 0.000 0.485 46 D N 0.593 120.977 120.400 -0.028 0.000 2.213 46 D HA 0.080 4.425 4.640 -0.492 0.000 0.205 46 D C 0.941 177.234 176.300 -0.012 0.000 0.961 46 D CA 0.418 54.408 54.000 -0.017 0.000 0.853 46 D CB -0.342 40.446 40.800 -0.020 0.000 0.967 46 D HN 0.121 8.491 8.370 0.000 0.000 0.496 47 A N 1.762 124.569 122.820 -0.021 0.000 2.547 47 A HA 0.149 4.174 4.320 -0.492 0.000 0.233 47 A C -0.856 176.734 177.584 0.010 0.000 1.067 47 A CA -0.699 51.332 52.037 -0.011 0.000 0.763 47 A CB 0.079 19.064 19.000 -0.025 0.000 1.007 47 A HN 0.075 8.225 8.150 0.000 0.000 0.506 48 P HA -0.027 4.393 4.420 0.000 0.000 0.216 48 P C 0.809 178.139 177.300 0.049 0.000 1.150 48 P CA 1.912 65.033 63.100 0.036 0.000 0.837 48 P CB 0.025 31.750 31.700 0.041 0.000 0.786 49 G N -0.953 107.879 108.800 0.053 0.000 2.818 49 G HA2 0.463 4.128 3.960 -0.492 0.000 0.286 49 G HA3 0.463 4.128 3.960 -0.492 0.000 0.286 49 G C -1.443 173.502 174.900 0.076 0.000 1.364 49 G CA -0.565 44.582 45.100 0.078 0.000 0.938 49 G HN -0.076 8.214 8.290 0.000 0.000 0.490 50 E N -0.117 120.160 120.200 0.129 0.000 2.166 50 E HA 0.520 4.575 4.350 -0.492 0.000 0.275 50 E C -0.959 175.769 176.600 0.213 0.000 0.941 50 E CA -0.447 56.045 56.400 0.153 0.000 0.784 50 E CB 2.047 31.955 29.700 0.347 0.000 1.115 50 E HN 0.226 8.586 8.360 0.000 0.000 0.399 51 T N 2.412 117.018 114.554 0.085 0.000 2.824 51 T HA 0.413 4.468 4.350 -0.492 0.000 0.282 51 T C -1.259 173.456 174.700 0.025 0.000 0.993 51 T CA -0.706 61.473 62.100 0.132 0.000 0.967 51 T CB 0.561 69.458 68.868 0.048 0.000 0.960 51 T HN 0.303 8.543 8.240 0.000 0.000 0.441 52 W N 1.367 122.660 121.300 -0.012 0.000 2.736 52 W HA 0.502 4.863 4.660 -0.499 0.000 0.335 52 W C -0.117 176.408 176.519 0.010 0.000 1.059 52 W CA -0.856 56.481 57.345 -0.013 0.000 1.226 52 W CB 0.850 30.287 29.460 -0.037 0.000 1.416 52 W HN 0.671 8.851 8.180 0.000 0.000 0.505 53 H N 3.999 123.146 119.070 0.128 0.000 2.476 53 H HA 0.683 4.939 4.556 -0.500 0.000 0.328 53 H C -0.249 175.109 175.328 0.051 0.000 1.073 53 H CA -0.567 55.535 56.048 0.089 0.000 1.229 53 H CB 0.786 30.618 29.762 0.116 0.000 1.432 53 H HN 0.424 8.704 8.280 0.000 0.000 0.477 54 M N 3.417 122.740 119.600 -0.462 0.000 2.501 54 M HA 0.608 4.793 4.480 -0.492 0.000 0.293 54 M C -1.905 173.985 176.300 -0.683 0.000 1.192 54 M CA -1.232 53.838 55.300 -0.383 0.000 0.886 54 M CB 2.333 34.772 32.600 -0.268 0.000 1.710 54 M HN 0.249 8.539 8.290 0.000 0.000 0.457 55 V N 2.792 122.461 119.914 -0.408 0.000 2.540 55 V HA 0.660 4.485 4.120 -0.492 0.000 0.302 55 V C -1.234 174.803 176.094 -0.095 0.000 1.035 55 V CA -0.390 61.721 62.300 -0.315 0.000 0.873 55 V CB 1.737 33.590 31.823 0.050 0.000 0.992 55 V HN 0.735 8.925 8.190 0.000 0.000 0.428 56 F N 1.357 121.291 119.950 -0.026 0.000 2.522 56 F HA 0.639 4.873 4.527 -0.487 0.000 0.324 56 F C 0.676 176.471 175.800 -0.009 0.000 1.077 56 F CA -1.395 56.592 58.000 -0.022 0.000 0.944 56 F CB 1.921 40.901 39.000 -0.033 0.000 1.175 56 F HN 0.509 8.809 8.300 0.000 0.000 0.468 57 S N -0.891 114.920 115.700 0.184 0.000 2.565 57 S HA 0.435 4.610 4.470 -0.492 0.000 0.276 57 S C 0.518 175.203 174.600 0.141 0.000 1.326 57 S CA 0.154 58.406 58.200 0.087 0.000 1.045 57 S CB 1.081 64.303 63.200 0.037 0.000 0.918 57 S HN 0.840 9.150 8.310 0.000 0.000 0.505 58 T N -2.534 112.057 114.554 0.063 0.000 3.016 58 T HA 0.249 4.304 4.350 -0.492 0.000 0.271 58 T C 0.561 175.219 174.700 -0.070 0.000 0.968 58 T CA 0.279 62.334 62.100 -0.076 0.000 0.891 58 T CB -0.760 68.005 68.868 -0.173 0.000 1.149 58 T HN 1.039 9.279 8.240 0.000 0.000 0.524 59 E N 1.182 121.396 120.200 0.023 0.000 2.604 59 E HA -0.281 3.773 4.350 -0.492 0.000 0.255 59 E C 1.230 177.831 176.600 0.002 0.000 1.164 59 E CA 0.881 57.299 56.400 0.031 0.000 0.737 59 E CB -2.410 27.343 29.700 0.088 0.000 1.317 59 E HN 1.354 9.714 8.360 0.000 0.000 0.417 60 G N -0.040 108.741 108.800 -0.032 0.000 2.179 60 G HA2 -0.391 3.274 3.960 -0.492 0.000 0.260 60 G HA3 -0.391 3.274 3.960 -0.492 0.000 0.260 60 G C 0.721 175.599 174.900 -0.036 0.000 0.977 60 G CA 0.443 45.524 45.100 -0.030 0.000 0.641 60 G HN 0.384 8.674 8.290 0.000 0.000 0.533 61 E N -0.214 119.934 120.200 -0.087 0.000 2.204 61 E HA -0.007 4.048 4.350 -0.492 0.000 0.195 61 E C 1.314 177.949 176.600 0.057 0.000 0.990 61 E CA 1.275 57.654 56.400 -0.036 0.000 0.821 61 E CB -0.119 29.492 29.700 -0.149 0.000 0.750 61 E HN 0.516 8.876 8.360 0.000 0.000 0.477 62 V N 4.320 124.199 119.914 -0.057 0.000 2.304 62 V HA 0.126 3.951 4.120 -0.492 0.000 0.269 62 V C -2.020 174.152 176.094 0.129 0.000 1.036 62 V CA -1.310 61.057 62.300 0.111 0.000 0.840 62 V CB 1.046 32.883 31.823 0.024 0.000 1.036 62 V HN -0.002 8.188 8.190 0.000 0.000 0.466 63 P HA 0.085 4.505 4.420 0.000 0.000 0.232 63 P C -0.459 176.855 177.300 0.023 0.000 1.738 63 P CA -0.075 63.029 63.100 0.007 0.000 0.948 63 P CB -0.562 31.144 31.700 0.009 0.000 1.943 64 Y N 0.693 120.998 120.300 0.007 0.000 2.316 64 Y HA 0.574 4.830 4.550 -0.489 0.000 0.324 64 Y C 0.464 176.360 175.900 -0.006 0.000 1.267 64 Y CA -1.426 56.678 58.100 0.006 0.000 1.311 64 Y CB 0.934 39.397 38.460 0.005 0.000 1.267 64 Y HN 0.102 8.382 8.280 0.000 0.000 0.516 65 R N 0.138 120.725 120.500 0.144 0.000 2.888 65 R HA 0.512 4.557 4.340 -0.492 0.000 0.266 65 R C -1.212 175.196 176.300 0.180 0.000 1.020 65 R CA -1.137 54.983 56.100 0.035 0.000 0.963 65 R CB 1.041 31.319 30.300 -0.037 0.000 1.197 65 R HN 0.593 8.863 8.270 0.000 0.000 0.481 66 E N 0.294 120.555 120.200 0.103 0.000 2.708 66 E HA 0.125 4.180 4.350 -0.492 0.000 0.260 66 E C 0.959 177.720 176.600 0.267 0.000 0.937 66 E CA 2.224 58.736 56.400 0.188 0.000 0.953 66 E CB 0.152 29.894 29.700 0.069 0.000 0.915 66 E HN 0.890 9.250 8.360 0.000 0.000 0.487 67 G N 2.069 111.052 108.800 0.306 0.000 2.195 67 G HA2 -0.304 3.361 3.960 -0.492 0.000 0.246 67 G HA3 -0.304 3.361 3.960 -0.492 0.000 0.246 67 G C 0.200 175.170 174.900 0.118 0.000 0.984 67 G CA 0.139 45.378 45.100 0.233 0.000 0.633 67 G HN 0.451 8.741 8.290 0.000 0.000 0.525 68 Q N 0.108 119.971 119.800 0.106 0.000 2.185 68 Q HA 0.702 4.746 4.340 -0.492 0.000 0.225 68 Q C -0.173 175.828 176.000 0.002 0.000 0.983 68 Q CA -0.105 55.740 55.803 0.071 0.000 0.950 68 Q CB 1.385 30.188 28.738 0.108 0.000 1.176 68 Q HN 0.306 8.576 8.270 0.000 0.000 0.510 69 S N 0.398 116.090 115.700 -0.012 0.000 2.600 69 S HA 0.720 4.895 4.470 -0.492 0.000 0.300 69 S C -0.489 174.092 174.600 -0.033 0.000 1.087 69 S CA -0.797 57.371 58.200 -0.053 0.000 0.965 69 S CB 1.030 64.186 63.200 -0.073 0.000 1.089 69 S HN 0.541 8.851 8.310 0.000 0.000 0.496 70 I N -1.392 119.161 120.570 -0.028 0.000 2.689 70 I HA 0.912 4.787 4.170 -0.492 0.000 0.299 70 I C 0.151 176.303 176.117 0.059 0.000 1.059 70 I CA -1.063 60.248 61.300 0.017 0.000 1.055 70 I CB 1.607 39.610 38.000 0.006 0.000 1.243 70 I HN 0.664 8.874 8.210 0.000 0.000 0.425 71 G N 5.173 114.013 108.800 0.067 0.000 2.451 71 G HA2 0.651 4.316 3.960 -0.492 0.000 0.303 71 G HA3 0.651 4.316 3.960 -0.492 0.000 0.303 71 G C -0.596 174.381 174.900 0.129 0.000 1.166 71 G CA -0.596 44.552 45.100 0.080 0.000 0.884 71 G HN 0.495 8.785 8.290 0.000 0.000 0.514 72 I N 1.077 121.751 120.570 0.173 0.000 2.498 72 I HA 0.226 4.101 4.170 -0.492 0.000 0.290 72 I C -0.512 175.660 176.117 0.091 0.000 1.032 72 I CA -0.748 60.644 61.300 0.153 0.000 1.073 72 I CB 1.897 40.027 38.000 0.218 0.000 1.251 72 I HN 0.065 8.275 8.210 0.000 0.000 0.426 73 V N 8.278 128.206 119.914 0.023 0.000 2.288 73 V HA 0.243 4.068 4.120 -0.492 0.000 0.266 73 V C -1.958 174.041 176.094 -0.159 0.000 1.048 73 V CA -1.498 60.782 62.300 -0.033 0.000 0.842 73 V CB 1.113 32.916 31.823 -0.034 0.000 1.064 73 V HN 0.551 8.741 8.190 0.000 0.000 0.472 74 P HA 0.148 4.568 4.420 0.000 0.000 0.268 74 P C -0.450 176.385 177.300 -0.775 0.000 1.205 74 P CA -0.271 62.350 63.100 -0.797 0.000 0.771 74 P CB 0.884 32.284 31.700 -0.500 0.000 0.858 75 D N 0.852 120.453 120.400 -1.331 0.000 2.378 75 D HA 0.385 4.730 4.640 -0.492 0.000 0.238 75 D C 1.306 177.470 176.300 -0.227 0.000 1.180 75 D CA 1.280 54.936 54.000 -0.572 0.000 0.895 75 D CB 0.114 40.685 40.800 -0.381 0.000 1.192 75 D HN 0.712 9.082 8.370 0.000 0.000 0.438 76 G N -0.644 108.098 108.800 -0.097 0.000 2.526 76 G HA2 0.025 3.690 3.960 -0.492 0.000 0.250 76 G HA3 0.025 3.690 3.960 -0.492 0.000 0.250 76 G C -0.750 174.051 174.900 -0.165 0.000 1.289 76 G CA -0.283 44.800 45.100 -0.029 0.000 0.947 76 G HN 0.760 9.050 8.290 0.000 0.000 0.517 77 I N -2.123 118.314 120.570 -0.221 0.000 2.969 77 I HA 0.743 4.618 4.170 -0.492 0.000 0.307 77 I C -0.213 175.651 176.117 -0.421 0.000 1.149 77 I CA -1.062 59.984 61.300 -0.424 0.000 1.008 77 I CB 2.274 40.153 38.000 -0.201 0.000 1.232 77 I HN 0.828 9.038 8.210 0.000 0.000 0.435 78 D N 2.627 122.769 120.400 -0.430 0.000 2.447 78 D HA 0.138 4.483 4.640 -0.492 0.000 0.265 78 D C 0.908 177.170 176.300 -0.062 0.000 1.250 78 D CA -0.515 53.400 54.000 -0.142 0.000 1.046 78 D CB 0.643 41.396 40.800 -0.079 0.000 1.095 78 D HN 0.797 9.167 8.370 0.000 0.000 0.555 79 K N -0.548 119.845 120.400 -0.012 0.000 2.281 79 K HA -0.167 3.858 4.320 -0.492 0.000 0.203 79 K C 0.442 177.029 176.600 -0.022 0.000 1.046 79 K CA 1.344 57.626 56.287 -0.009 0.000 0.938 79 K CB -0.659 31.845 32.500 0.006 0.000 0.737 79 K HN 0.384 8.634 8.250 0.000 0.000 0.458 80 N N 0.257 118.937 118.700 -0.034 0.000 2.268 80 N HA 0.116 4.561 4.740 -0.492 0.000 0.204 80 N C 0.251 175.731 175.510 -0.051 0.000 1.124 80 N CA 0.184 53.213 53.050 -0.036 0.000 0.838 80 N CB 1.057 39.526 38.487 -0.030 0.000 0.994 80 N HN 0.448 8.828 8.380 0.000 0.000 0.489 81 G N 1.008 109.768 108.800 -0.067 0.000 2.155 81 G HA2 -0.327 3.338 3.960 -0.492 0.000 0.257 81 G HA3 -0.327 3.338 3.960 -0.492 0.000 0.257 81 G C -0.061 174.778 174.900 -0.101 0.000 0.983 81 G CA 0.143 45.197 45.100 -0.077 0.000 0.676 81 G HN 0.288 8.578 8.290 0.000 0.000 0.528 82 K N 0.862 121.188 120.400 -0.123 0.000 2.130 82 K HA 0.460 4.485 4.320 -0.492 0.000 0.268 82 K C -2.415 174.046 176.600 -0.231 0.000 0.983 82 K CA -2.067 54.138 56.287 -0.136 0.000 0.893 82 K CB 1.461 33.902 32.500 -0.098 0.000 1.066 82 K HN -0.012 8.238 8.250 0.000 0.000 0.450 83 P HA -0.063 4.357 4.420 0.000 0.000 0.268 83 P C -0.757 176.398 177.300 -0.242 0.000 1.208 83 P CA 0.199 63.158 63.100 -0.234 0.000 0.777 83 P CB 0.409 32.034 31.700 -0.124 0.000 0.875 84 H N 1.456 120.477 119.070 -0.082 0.000 2.629 84 H HA 0.171 4.433 4.556 -0.490 0.000 0.357 84 H C 0.686 175.982 175.328 -0.054 0.000 1.121 84 H CA 0.101 56.108 56.048 -0.069 0.000 1.406 84 H CB 0.533 30.240 29.762 -0.093 0.000 1.456 84 H HN 0.209 8.489 8.280 0.000 0.000 0.579 85 K N 2.228 122.689 120.400 0.102 0.000 2.237 85 K HA 0.097 4.122 4.320 -0.492 0.000 0.270 85 K C 0.287 176.913 176.600 0.043 0.000 1.015 85 K CA -0.700 55.615 56.287 0.048 0.000 0.949 85 K CB 0.662 33.183 32.500 0.036 0.000 0.976 85 K HN 0.413 8.663 8.250 0.000 0.000 0.472 86 L N 0.211 121.449 121.223 0.026 0.000 2.467 86 L HA 0.345 4.390 4.340 -0.492 0.000 0.270 86 L C -0.091 176.781 176.870 0.003 0.000 1.205 86 L CA 0.095 54.951 54.840 0.026 0.000 0.828 86 L CB 0.251 42.326 42.059 0.027 0.000 1.101 86 L HN 0.294 8.524 8.230 0.000 0.000 0.479 87 R N 2.450 122.958 120.500 0.014 0.000 2.711 87 R HA 0.737 4.782 4.340 -0.492 0.000 0.284 87 R C -0.996 175.178 176.300 -0.211 0.000 0.968 87 R CA -0.599 55.434 56.100 -0.112 0.000 0.924 87 R CB 1.623 31.874 30.300 -0.081 0.000 1.162 87 R HN 0.728 8.998 8.270 0.000 0.000 0.465 88 L N 2.943 123.906 121.223 -0.433 0.000 2.343 88 L HA 0.513 4.558 4.340 -0.492 0.000 0.275 88 L C -0.881 175.464 176.870 -0.876 0.000 1.056 88 L CA -0.574 54.011 54.840 -0.426 0.000 0.804 88 L CB 0.743 42.615 42.059 -0.311 0.000 1.203 88 L HN 0.534 8.764 8.230 0.000 0.000 0.440 89 Y N 0.131 120.299 120.300 -0.221 0.000 2.386 89 Y HA 0.246 4.495 4.550 -0.501 0.000 0.334 89 Y C 0.193 175.954 175.900 -0.231 0.000 1.002 89 Y CA -0.697 57.246 58.100 -0.262 0.000 1.068 89 Y CB 2.125 40.486 38.460 -0.165 0.000 1.203 89 Y HN 0.433 8.713 8.280 0.000 0.000 0.443 90 S N 3.719 119.329 115.700 -0.150 0.000 2.549 90 S HA 0.290 4.465 4.470 -0.492 0.000 0.283 90 S C 0.136 174.682 174.600 -0.089 0.000 1.320 90 S CA -0.415 57.723 58.200 -0.103 0.000 1.058 90 S CB 0.044 63.205 63.200 -0.064 0.000 0.882 90 S HN 0.427 8.738 8.310 0.000 0.000 0.498 91 I N 2.687 123.176 120.570 -0.136 0.000 2.533 91 I HA 0.075 3.950 4.170 -0.492 0.000 0.284 91 I C 1.144 177.164 176.117 -0.161 0.000 1.109 91 I CA -0.127 61.042 61.300 -0.219 0.000 1.412 91 I CB 0.769 38.538 38.000 -0.385 0.000 1.396 91 I HN 0.795 9.005 8.210 0.000 0.000 0.543 92 A N 4.700 127.418 122.820 -0.170 0.000 2.238 92 A HA 0.121 4.146 4.320 -0.492 0.000 0.210 92 A C 0.912 178.376 177.584 -0.200 0.000 1.179 92 A CA 0.128 52.085 52.037 -0.134 0.000 0.827 92 A CB -0.140 18.830 19.000 -0.050 0.000 0.856 92 A HN 0.707 8.857 8.150 0.000 0.000 0.488 93 S N 0.130 115.705 115.700 -0.210 0.000 2.638 93 S HA 0.581 4.756 4.470 -0.492 0.000 0.298 93 S C 0.271 174.851 174.600 -0.033 0.000 1.111 93 S CA 0.055 58.110 58.200 -0.241 0.000 1.027 93 S CB 1.357 64.445 63.200 -0.187 0.000 1.064 93 S HN 0.677 8.987 8.310 0.000 0.000 0.525 94 S N 1.116 116.790 115.700 -0.044 0.000 2.608 94 S HA 0.532 4.707 4.470 -0.492 0.000 0.261 94 S C 1.513 176.214 174.600 0.168 0.000 1.314 94 S CA -0.405 57.864 58.200 0.115 0.000 0.992 94 S CB 0.251 63.549 63.200 0.163 0.000 0.935 94 S HN 1.357 9.667 8.310 0.000 0.000 0.564 95 A N 1.453 124.290 122.820 0.028 0.000 1.958 95 A HA -0.137 3.888 4.320 -0.492 0.000 0.221 95 A C 2.097 179.545 177.584 -0.227 0.000 1.178 95 A CA 1.920 53.763 52.037 -0.323 0.000 0.642 95 A CB -1.296 17.540 19.000 -0.274 0.000 0.816 95 A HN 1.190 9.340 8.150 0.000 0.000 0.453 96 I N -3.669 116.899 120.570 -0.004 0.000 3.111 96 I HA 0.385 4.260 4.170 -0.492 0.000 0.272 96 I C 1.085 177.255 176.117 0.087 0.000 1.268 96 I CA 0.462 61.793 61.300 0.052 0.000 1.467 96 I CB -0.923 37.159 38.000 0.137 0.000 1.087 96 I HN 0.541 8.751 8.210 0.000 0.000 0.467 97 G N 2.004 110.858 108.800 0.091 0.000 2.855 97 G HA2 -0.276 3.389 3.960 -0.492 0.000 0.352 97 G HA3 -0.276 3.389 3.960 -0.492 0.000 0.352 97 G C -0.195 174.696 174.900 -0.015 0.000 1.415 97 G CA 0.180 45.321 45.100 0.067 0.000 0.871 97 G HN 0.370 8.660 8.290 0.000 0.000 0.543 98 D N -0.519 119.828 120.400 -0.089 0.000 2.350 98 D HA 0.083 4.427 4.640 -0.492 0.000 0.216 98 D C 1.816 178.058 176.300 -0.097 0.000 0.968 98 D CA 1.175 55.053 54.000 -0.204 0.000 0.894 98 D CB -0.092 40.577 40.800 -0.220 0.000 0.909 98 D HN 0.321 8.691 8.370 0.000 0.000 0.520 99 F N -0.927 119.043 119.950 0.034 0.000 2.678 99 F HA 0.284 4.515 4.527 -0.493 0.000 0.305 99 F C 1.885 177.729 175.800 0.074 0.000 1.090 99 F CA 0.047 58.082 58.000 0.059 0.000 1.272 99 F CB 0.672 39.697 39.000 0.042 0.000 1.060 99 F HN -0.022 8.278 8.300 0.000 0.000 0.576 100 G N 1.116 110.057 108.800 0.235 0.000 2.168 100 G HA2 -0.374 3.290 3.960 -0.492 0.000 0.263 100 G HA3 -0.374 3.290 3.960 -0.492 0.000 0.263 100 G C 0.578 175.558 174.900 0.132 0.000 0.977 100 G CA 0.867 46.076 45.100 0.181 0.000 0.659 100 G HN 0.479 8.769 8.290 0.000 0.000 0.533 101 D N -1.262 119.218 120.400 0.134 0.000 2.398 101 D HA 0.371 4.716 4.640 -0.492 0.000 0.210 101 D C 1.207 177.533 176.300 0.043 0.000 1.094 101 D CA 0.602 54.648 54.000 0.078 0.000 0.839 101 D CB -0.230 40.611 40.800 0.068 0.000 0.963 101 D HN 0.531 8.901 8.370 0.000 0.000 0.506 102 S N -0.578 115.148 115.700 0.043 0.000 3.476 102 S HA -0.198 3.977 4.470 -0.492 0.000 0.309 102 S C 0.664 175.258 174.600 -0.009 0.000 1.222 102 S CA 0.927 59.121 58.200 -0.010 0.000 0.922 102 S CB -1.442 61.735 63.200 -0.038 0.000 1.023 102 S HN 0.589 8.899 8.310 0.000 0.000 0.591 103 K N 0.626 121.039 120.400 0.023 0.000 2.506 103 K HA 0.183 4.208 4.320 -0.492 0.000 0.204 103 K C 0.496 177.112 176.600 0.027 0.000 1.045 103 K CA 0.547 56.840 56.287 0.010 0.000 1.074 103 K CB 1.100 33.593 32.500 -0.012 0.000 0.842 103 K HN 0.609 8.859 8.250 0.000 0.000 0.514 104 T N -3.075 111.532 114.554 0.087 0.000 2.812 104 T HA 0.598 4.653 4.350 -0.492 0.000 0.294 104 T C -1.142 173.657 174.700 0.166 0.000 1.159 104 T CA -0.809 61.356 62.100 0.109 0.000 1.008 104 T CB 2.164 71.107 68.868 0.126 0.000 1.289 104 T HN -0.127 8.113 8.240 0.000 0.000 0.514 105 V N 0.430 120.380 119.914 0.060 0.000 2.932 105 V HA 0.730 4.555 4.120 -0.492 0.000 0.307 105 V C -1.289 174.637 176.094 -0.281 0.000 1.147 105 V CA -0.377 61.863 62.300 -0.100 0.000 0.951 105 V CB 2.368 34.081 31.823 -0.184 0.000 1.031 105 V HN 1.247 9.437 8.190 0.000 0.000 0.426 106 S N 6.480 121.963 115.700 -0.360 0.000 2.532 106 S HA 0.830 5.005 4.470 -0.492 0.000 0.301 106 S C -0.901 173.404 174.600 -0.493 0.000 1.083 106 S CA -0.609 57.284 58.200 -0.512 0.000 1.025 106 S CB 1.625 64.572 63.200 -0.422 0.000 1.056 106 S HN 0.667 8.977 8.310 0.000 0.000 0.494 107 L N 1.008 121.878 121.223 -0.589 0.000 2.333 107 L HA 0.673 4.718 4.340 -0.492 0.000 0.263 107 L C -0.899 175.830 176.870 -0.236 0.000 1.014 107 L CA -0.834 53.791 54.840 -0.358 0.000 0.820 107 L CB 1.992 43.827 42.059 -0.372 0.000 1.352 107 L HN 0.717 8.947 8.230 0.000 0.000 0.421 108 C N 2.635 121.929 119.300 -0.009 0.000 2.356 108 C HA 0.718 4.883 4.460 -0.492 0.000 0.324 108 C C -0.528 174.546 174.990 0.139 0.000 1.167 108 C CA -0.313 58.803 59.018 0.164 0.000 1.420 108 C CB 0.179 28.124 27.740 0.343 0.000 2.036 108 C HN 0.497 8.727 8.230 0.000 0.000 0.435 109 V N 6.311 126.290 119.914 0.108 0.000 2.378 109 V HA 0.414 4.239 4.120 -0.492 0.000 0.288 109 V C -0.126 176.082 176.094 0.189 0.000 1.016 109 V CA -0.546 61.818 62.300 0.106 0.000 0.840 109 V CB 1.574 33.341 31.823 -0.093 0.000 0.994 109 V HN 0.789 8.979 8.190 0.000 0.000 0.431 110 K N 4.930 125.460 120.400 0.217 0.000 2.312 110 K HA 0.237 4.262 4.320 -0.492 0.000 0.287 110 K C 0.182 176.896 176.600 0.190 0.000 1.062 110 K CA -0.069 56.347 56.287 0.215 0.000 0.934 110 K CB 0.419 33.049 32.500 0.217 0.000 1.027 110 K HN 0.638 8.888 8.250 0.000 0.000 0.478 111 R N 5.056 125.670 120.500 0.190 0.000 2.343 111 R HA 0.074 4.119 4.340 -0.492 0.000 0.326 111 R C -0.674 175.707 176.300 0.136 0.000 1.055 111 R CA -0.463 55.713 56.100 0.127 0.000 0.961 111 R CB -0.015 30.357 30.300 0.119 0.000 0.978 111 R HN 0.621 8.891 8.270 0.000 0.000 0.443 112 L N 6.271 127.576 121.223 0.137 0.000 2.315 112 L HA 0.246 4.291 4.340 -0.492 0.000 0.283 112 L C -1.268 175.698 176.870 0.159 0.000 1.089 112 L CA 0.176 55.119 54.840 0.172 0.000 0.833 112 L CB 1.228 43.406 42.059 0.198 0.000 1.170 112 L HN 0.301 8.531 8.230 0.000 0.000 0.442 113 V N 7.111 127.130 119.914 0.175 0.000 2.623 113 V HA 0.584 4.409 4.120 -0.492 0.000 0.304 113 V C -0.807 175.407 176.094 0.200 0.000 1.054 113 V CA -0.499 61.867 62.300 0.110 0.000 0.882 113 V CB 1.295 33.158 31.823 0.067 0.000 1.002 113 V HN 0.807 8.997 8.190 0.000 0.000 0.424 114 Y N 1.389 121.713 120.300 0.040 0.000 2.840 114 Y HA 0.863 5.118 4.550 -0.492 0.000 0.324 114 Y C -0.519 175.400 175.900 0.031 0.000 1.378 114 Y CA -0.943 57.179 58.100 0.037 0.000 1.077 114 Y CB 1.944 40.427 38.460 0.039 0.000 1.361 114 Y HN 0.534 8.814 8.280 0.000 0.000 0.459 115 T N 1.826 116.502 114.554 0.203 0.000 2.881 115 T HA 0.452 4.507 4.350 -0.492 0.000 0.291 115 T C -0.945 173.891 174.700 0.228 0.000 0.990 115 T CA -0.826 61.322 62.100 0.079 0.000 0.976 115 T CB 0.065 68.963 68.868 0.051 0.000 0.970 115 T HN 0.975 9.215 8.240 0.000 0.000 0.438 116 N N 3.828 122.624 118.700 0.161 0.000 2.288 116 N HA 0.108 4.552 4.740 -0.492 0.000 0.237 116 N C 0.599 176.181 175.510 0.120 0.000 1.311 116 N CA -0.202 52.974 53.050 0.210 0.000 0.909 116 N CB 0.086 38.666 38.487 0.155 0.000 1.167 116 N HN 0.505 8.885 8.380 0.000 0.000 0.476 117 D N -0.308 120.151 120.400 0.098 0.000 2.133 117 D HA -0.169 4.176 4.640 -0.492 0.000 0.195 117 D C 1.605 177.934 176.300 0.049 0.000 0.997 117 D CA 2.169 56.207 54.000 0.064 0.000 0.840 117 D CB -0.784 40.047 40.800 0.051 0.000 0.947 117 D HN 0.743 9.113 8.370 0.000 0.000 0.452 118 A N -0.219 122.628 122.820 0.046 0.000 2.234 118 A HA 0.174 4.199 4.320 -0.492 0.000 0.216 118 A C 1.947 179.547 177.584 0.026 0.000 1.167 118 A CA 1.733 53.789 52.037 0.031 0.000 0.698 118 A CB -0.572 18.444 19.000 0.027 0.000 0.779 118 A HN 0.358 8.508 8.150 0.000 0.000 0.475 119 G N -1.107 107.713 108.800 0.034 0.000 2.179 119 G HA2 -0.250 3.415 3.960 -0.492 0.000 0.260 119 G HA3 -0.250 3.415 3.960 -0.492 0.000 0.260 119 G C -0.162 174.746 174.900 0.014 0.000 0.977 119 G CA 0.314 45.431 45.100 0.028 0.000 0.641 119 G HN 0.693 8.983 8.290 0.000 0.000 0.533 120 E N 0.242 120.444 120.200 0.003 0.000 2.289 120 E HA 0.458 4.512 4.350 -0.492 0.000 0.278 120 E C 0.351 176.914 176.600 -0.061 0.000 1.032 120 E CA -0.746 55.640 56.400 -0.023 0.000 0.854 120 E CB 2.157 31.841 29.700 -0.027 0.000 1.046 120 E HN 0.081 8.441 8.360 0.000 0.000 0.409 121 V N 4.248 124.121 119.914 -0.068 0.000 2.479 121 V HA 0.011 3.836 4.120 -0.492 0.000 0.281 121 V C 0.069 176.047 176.094 -0.194 0.000 1.031 121 V CA -0.019 62.214 62.300 -0.112 0.000 1.038 121 V CB 0.701 32.486 31.823 -0.063 0.000 0.981 121 V HN 0.409 8.599 8.190 0.000 0.000 0.478 122 V N 6.299 125.979 119.914 -0.391 0.000 2.513 122 V HA 0.447 4.272 4.120 -0.492 0.000 0.299 122 V C 0.029 175.876 176.094 -0.412 0.000 1.035 122 V CA -1.008 60.998 62.300 -0.490 0.000 0.889 122 V CB 1.931 33.208 31.823 -0.909 0.000 0.988 122 V HN 0.790 8.980 8.190 0.000 0.000 0.440 123 K N 2.747 123.023 120.400 -0.208 0.000 2.307 123 K HA 0.549 4.574 4.320 -0.492 0.000 0.263 123 K C 0.416 176.997 176.600 -0.031 0.000 0.973 123 K CA -0.414 55.818 56.287 -0.092 0.000 0.846 123 K CB 1.827 34.294 32.500 -0.055 0.000 1.100 123 K HN 0.920 9.170 8.250 0.000 0.000 0.438 124 G N 1.453 110.281 108.800 0.047 0.000 2.414 124 G HA2 0.028 3.693 3.960 -0.492 0.000 0.236 124 G HA3 0.028 3.693 3.960 -0.492 0.000 0.236 124 G C 1.106 176.019 174.900 0.023 0.000 1.293 124 G CA -0.568 44.580 45.100 0.080 0.000 0.869 124 G HN 0.391 8.681 8.290 0.000 0.000 0.556 125 V N 1.973 121.876 119.914 -0.017 0.000 2.223 125 V HA -0.223 3.601 4.120 -0.492 0.000 0.244 125 V C 2.930 178.986 176.094 -0.064 0.000 1.045 125 V CA 2.117 64.351 62.300 -0.110 0.000 1.000 125 V CB -0.912 30.725 31.823 -0.311 0.000 0.635 125 V HN 0.887 9.077 8.190 0.000 0.000 0.445 126 C N 0.729 120.017 119.300 -0.019 0.000 2.446 126 C HA -0.114 4.051 4.460 -0.492 0.000 0.277 126 C C 3.398 178.467 174.990 0.131 0.000 1.275 126 C CA 1.397 60.476 59.018 0.102 0.000 1.727 126 C CB -1.041 26.805 27.740 0.177 0.000 2.010 126 C HN 0.806 9.036 8.230 0.000 0.000 0.486 127 S N 0.739 116.510 115.700 0.119 0.000 2.382 127 S HA -0.154 4.021 4.470 -0.492 0.000 0.228 127 S C 1.615 176.194 174.600 -0.035 0.000 1.027 127 S CA 1.709 59.945 58.200 0.060 0.000 0.991 127 S CB -0.749 62.526 63.200 0.125 0.000 0.823 127 S HN 0.737 9.047 8.310 0.000 0.000 0.469 128 N N 0.488 119.178 118.700 -0.016 0.000 2.300 128 N HA 0.025 4.470 4.740 -0.492 0.000 0.179 128 N C 1.434 176.887 175.510 -0.096 0.000 1.016 128 N CA 1.120 54.125 53.050 -0.074 0.000 0.876 128 N CB -0.337 38.126 38.487 -0.039 0.000 0.979 128 N HN 0.542 8.922 8.380 0.000 0.000 0.432 129 F N 2.322 122.186 119.950 -0.144 0.000 2.113 129 F HA -0.033 4.197 4.527 -0.494 0.000 0.297 129 F C 2.096 177.792 175.800 -0.174 0.000 1.103 129 F CA 0.994 58.907 58.000 -0.146 0.000 1.248 129 F CB -0.526 38.396 39.000 -0.131 0.000 0.999 129 F HN -0.130 8.170 8.300 0.000 0.000 0.475 130 L N -0.454 120.529 121.223 -0.400 0.000 2.017 130 L HA -0.276 3.768 4.340 -0.492 0.000 0.208 130 L C 2.575 179.166 176.870 -0.466 0.000 1.073 130 L CA 1.489 56.048 54.840 -0.469 0.000 0.745 130 L CB -1.027 40.855 42.059 -0.295 0.000 0.894 130 L HN 0.265 8.495 8.230 0.000 0.000 0.432 131 C N -0.353 118.651 119.300 -0.494 0.000 2.437 131 C HA -0.103 4.061 4.460 -0.492 0.000 0.283 131 C C 1.918 176.348 174.990 -0.933 0.000 1.424 131 C CA 0.352 58.856 59.018 -0.856 0.000 1.782 131 C CB -0.903 26.234 27.740 -1.005 0.000 1.833 131 C HN 0.505 8.735 8.230 0.000 0.000 0.532 132 D N 0.065 120.103 120.400 -0.604 0.000 2.360 132 D HA 0.159 4.504 4.640 -0.492 0.000 0.210 132 D C 0.661 176.717 176.300 -0.406 0.000 1.047 132 D CA 0.077 53.798 54.000 -0.465 0.000 0.854 132 D CB -0.103 40.518 40.800 -0.299 0.000 0.936 132 D HN 0.418 8.788 8.370 0.000 0.000 0.514 133 L N 1.497 122.432 121.223 -0.480 0.000 2.540 133 L HA -0.015 4.030 4.340 -0.492 0.000 0.276 133 L C 0.639 177.381 176.870 -0.213 0.000 1.212 133 L CA 0.648 55.251 54.840 -0.396 0.000 0.893 133 L CB 0.465 42.281 42.059 -0.405 0.000 1.138 133 L HN -0.306 7.924 8.230 0.000 0.000 0.491 134 K N 5.243 125.553 120.400 -0.149 0.000 2.138 134 K HA 0.389 4.414 4.320 -0.492 0.000 0.263 134 K C -2.338 174.239 176.600 -0.038 0.000 0.965 134 K CA -1.843 54.402 56.287 -0.070 0.000 0.868 134 K CB 1.160 33.627 32.500 -0.055 0.000 1.083 134 K HN 0.283 8.533 8.250 0.000 0.000 0.443 135 P HA -0.079 4.341 4.420 0.000 0.000 0.262 135 P C 0.548 177.851 177.300 0.004 0.000 1.182 135 P CA 1.025 64.140 63.100 0.026 0.000 0.761 135 P CB 0.536 32.265 31.700 0.049 0.000 0.795 136 G N 1.706 110.505 108.800 -0.002 0.000 2.284 136 G HA2 -0.197 3.467 3.960 -0.492 0.000 0.216 136 G HA3 -0.197 3.467 3.960 -0.492 0.000 0.216 136 G C 0.354 175.232 174.900 -0.036 0.000 1.009 136 G CA -0.188 44.903 45.100 -0.015 0.000 0.625 136 G HN 0.558 8.848 8.290 0.000 0.000 0.501 137 S N 1.466 117.134 115.700 -0.053 0.000 2.601 137 S HA 0.523 4.698 4.470 -0.492 0.000 0.271 137 S C 0.228 174.767 174.600 -0.100 0.000 1.305 137 S CA -0.421 57.737 58.200 -0.069 0.000 1.022 137 S CB 1.465 64.618 63.200 -0.079 0.000 0.940 137 S HN 0.497 8.807 8.310 0.000 0.000 0.525 138 E N 0.473 120.621 120.200 -0.087 0.000 2.349 138 E HA 0.483 4.537 4.350 -0.492 0.000 0.262 138 E C -0.825 175.700 176.600 -0.125 0.000 1.088 138 E CA -0.490 55.837 56.400 -0.121 0.000 0.899 138 E CB 1.217 30.856 29.700 -0.102 0.000 1.044 138 E HN 0.262 8.622 8.360 0.000 0.000 0.420 139 V N 1.697 121.483 119.914 -0.213 0.000 2.733 139 V HA 0.238 4.062 4.120 -0.492 0.000 0.306 139 V C -1.536 174.448 176.094 -0.184 0.000 1.084 139 V CA -0.810 61.367 62.300 -0.206 0.000 0.905 139 V CB 1.786 33.226 31.823 -0.637 0.000 1.010 139 V HN 0.547 8.737 8.190 0.000 0.000 0.424 140 K N 7.156 127.496 120.400 -0.100 0.000 2.285 140 K HA 0.576 4.601 4.320 -0.492 0.000 0.286 140 K C -0.843 175.727 176.600 -0.050 0.000 1.072 140 K CA -0.145 56.084 56.287 -0.097 0.000 0.913 140 K CB 1.243 33.693 32.500 -0.083 0.000 1.067 140 K HN 0.592 8.842 8.250 0.000 0.000 0.479 141 I N 2.314 122.861 120.570 -0.039 0.000 2.441 141 I HA 0.223 4.098 4.170 -0.492 0.000 0.295 141 I C 0.615 176.741 176.117 0.015 0.000 0.994 141 I CA -0.588 60.719 61.300 0.012 0.000 1.144 141 I CB 1.966 39.994 38.000 0.046 0.000 1.314 141 I HN 0.656 8.866 8.210 0.000 0.000 0.445 142 T N 1.367 115.964 114.554 0.071 0.000 2.910 142 T HA 0.915 4.970 4.350 -0.492 0.000 0.287 142 T C 0.194 174.989 174.700 0.159 0.000 1.050 142 T CA -0.073 62.111 62.100 0.141 0.000 1.011 142 T CB 1.876 70.814 68.868 0.116 0.000 1.195 142 T HN 1.177 9.417 8.240 0.000 0.000 0.540 143 G N 1.110 110.029 108.800 0.199 0.000 2.484 143 G HA2 -0.007 3.657 3.960 -0.492 0.000 0.225 143 G HA3 -0.007 3.657 3.960 -0.492 0.000 0.225 143 G C -2.894 172.144 174.900 0.229 0.000 1.250 143 G CA -0.485 44.713 45.100 0.163 0.000 0.926 143 G HN 0.884 9.174 8.290 0.000 0.000 0.581 144 P HA 0.446 4.866 4.420 0.000 0.000 0.272 144 P C -0.276 177.077 177.300 0.088 0.000 1.248 144 P CA 0.256 63.431 63.100 0.126 0.000 0.799 144 P CB 1.017 32.808 31.700 0.151 0.000 0.997 145 V N -0.979 118.974 119.914 0.064 0.000 3.012 145 V HA 0.826 4.651 4.120 -0.492 0.000 0.307 145 V C -0.751 175.371 176.094 0.047 0.000 1.166 145 V CA 0.338 62.666 62.300 0.048 0.000 0.974 145 V CB 1.266 33.107 31.823 0.030 0.000 1.040 145 V HN 0.933 9.123 8.190 0.000 0.000 0.428 146 G N 4.412 113.242 108.800 0.049 0.000 2.788 146 G HA2 -0.041 3.624 3.960 -0.492 0.000 0.686 146 G HA3 -0.041 3.624 3.960 -0.492 0.000 0.686 146 G C -0.504 174.438 174.900 0.070 0.000 1.147 146 G CA 0.094 45.230 45.100 0.059 0.000 0.755 146 G HN 1.069 9.360 8.290 0.000 0.000 0.634 147 K N 0.235 120.681 120.400 0.077 0.000 2.588 147 K HA 0.125 4.150 4.320 -0.492 0.000 0.216 147 K C 1.555 178.221 176.600 0.109 0.000 1.382 147 K CA 0.406 56.742 56.287 0.081 0.000 1.008 147 K CB 0.957 33.494 32.500 0.061 0.000 1.138 147 K HN 0.439 8.689 8.250 0.000 0.000 0.619 148 E N 1.098 121.370 120.200 0.119 0.000 2.150 148 E HA -0.039 4.016 4.350 -0.492 0.000 0.193 148 E C 1.047 177.788 176.600 0.235 0.000 0.985 148 E CA 1.280 57.766 56.400 0.144 0.000 0.814 148 E CB 0.275 30.047 29.700 0.121 0.000 0.752 148 E HN 0.036 8.396 8.360 0.000 0.000 0.466 149 M N 1.077 120.844 119.600 0.278 0.000 2.771 149 M HA 0.256 4.441 4.480 -0.492 0.000 0.341 149 M C -0.537 176.047 176.300 0.474 0.000 1.226 149 M CA -0.172 55.407 55.300 0.465 0.000 0.955 149 M CB -0.042 32.738 32.600 0.300 0.000 1.318 149 M HN 0.000 8.290 8.290 0.000 0.000 0.514 150 L N 1.015 122.428 121.223 0.317 0.000 2.426 150 L HA 0.303 4.347 4.340 -0.492 0.000 0.271 150 L C 0.661 177.552 176.870 0.036 0.000 1.169 150 L CA -0.114 54.806 54.840 0.134 0.000 0.836 150 L CB 0.521 42.615 42.059 0.059 0.000 1.112 150 L HN 0.282 8.512 8.230 0.000 0.000 0.465 151 M N 4.382 123.747 119.600 -0.392 0.000 2.248 151 M HA 0.165 4.350 4.480 -0.492 0.000 0.337 151 M C -2.082 173.982 176.300 -0.393 0.000 1.121 151 M CA -1.392 53.475 55.300 -0.722 0.000 1.155 151 M CB 0.243 32.218 32.600 -1.042 0.000 1.514 151 M HN 0.289 8.579 8.290 0.000 0.000 0.452 152 P HA 0.108 4.528 4.420 0.000 0.000 0.275 152 P C -0.711 176.445 177.300 -0.241 0.000 1.227 152 P CA -0.030 62.760 63.100 -0.517 0.000 0.781 152 P CB 0.791 31.752 31.700 -1.232 0.000 0.906 153 K N 0.798 121.113 120.400 -0.142 0.000 2.063 153 K HA -0.140 3.885 4.320 -0.492 0.000 0.208 153 K C 0.859 177.519 176.600 0.099 0.000 1.048 153 K CA 1.163 57.444 56.287 -0.011 0.000 0.928 153 K CB -0.439 32.057 32.500 -0.007 0.000 0.713 153 K HN 0.526 8.776 8.250 0.000 0.000 0.442 154 D N 1.554 121.998 120.400 0.075 0.000 2.455 154 D HA -0.049 4.296 4.640 -0.492 0.000 0.265 154 D C -1.616 174.757 176.300 0.122 0.000 1.284 154 D CA -1.402 52.664 54.000 0.109 0.000 0.944 154 D CB 0.934 41.836 40.800 0.170 0.000 1.121 154 D HN 0.074 8.444 8.370 0.000 0.000 0.525 155 P HA -0.037 4.383 4.420 0.000 0.000 0.242 155 P C -0.192 176.973 177.300 -0.225 0.000 1.197 155 P CA 0.556 63.554 63.100 -0.171 0.000 0.765 155 P CB 0.203 31.657 31.700 -0.410 0.000 0.936 156 N N -0.698 117.933 118.700 -0.115 0.000 2.177 156 N HA 0.234 4.679 4.740 -0.492 0.000 0.218 156 N C 0.421 175.925 175.510 -0.009 0.000 1.182 156 N CA -0.375 52.578 53.050 -0.162 0.000 0.882 156 N CB 0.437 38.862 38.487 -0.104 0.000 1.052 156 N HN 0.059 8.439 8.380 0.000 0.000 0.519 157 A N 0.461 123.372 122.820 0.151 0.000 2.366 157 A HA 0.383 4.408 4.320 -0.492 0.000 0.249 157 A C 0.297 178.100 177.584 0.364 0.000 1.084 157 A CA 0.152 52.370 52.037 0.302 0.000 0.794 157 A CB 0.292 19.551 19.000 0.431 0.000 1.034 157 A HN 0.089 8.239 8.150 0.000 0.000 0.491 158 T N 1.216 115.992 114.554 0.369 0.000 2.767 158 T HA 0.479 4.534 4.350 -0.492 0.000 0.288 158 T C -0.460 174.510 174.700 0.449 0.000 0.963 158 T CA -0.164 62.163 62.100 0.378 0.000 1.019 158 T CB 0.721 69.764 68.868 0.292 0.000 0.923 158 T HN 0.416 8.656 8.240 0.000 0.000 0.468 159 V N 5.667 125.844 119.914 0.438 0.000 2.326 159 V HA 0.420 4.245 4.120 -0.492 0.000 0.281 159 V C -0.013 176.275 176.094 0.324 0.000 1.015 159 V CA -0.779 61.761 62.300 0.401 0.000 0.823 159 V CB 0.789 32.778 31.823 0.275 0.000 1.009 159 V HN 0.809 8.999 8.190 0.000 0.000 0.436 160 I N 5.787 126.531 120.570 0.291 0.000 2.331 160 I HA 0.449 4.324 4.170 -0.492 0.000 0.292 160 I C -0.064 176.058 176.117 0.008 0.000 0.998 160 I CA -0.078 61.321 61.300 0.165 0.000 1.267 160 I CB 1.362 39.421 38.000 0.098 0.000 1.386 160 I HN 0.460 8.670 8.210 0.000 0.000 0.476 161 M N 7.672 127.166 119.600 -0.176 0.000 2.181 161 M HA 0.484 4.669 4.480 -0.492 0.000 0.323 161 M C -1.107 174.899 176.300 -0.489 0.000 1.004 161 M CA -0.328 54.548 55.300 -0.707 0.000 0.941 161 M CB 1.654 33.573 32.600 -1.136 0.000 1.579 161 M HN 0.360 8.650 8.290 0.000 0.000 0.427 162 L N 3.211 124.195 121.223 -0.399 0.000 2.318 162 L HA 0.851 4.896 4.340 -0.492 0.000 0.277 162 L C 0.124 177.081 176.870 0.145 0.000 1.008 162 L CA -0.608 54.174 54.840 -0.098 0.000 0.846 162 L CB 1.363 43.334 42.059 -0.148 0.000 1.220 162 L HN 0.821 9.051 8.230 0.000 0.000 0.423 163 G N 0.882 109.821 108.800 0.232 0.000 2.619 163 G HA2 0.730 4.395 3.960 -0.492 0.000 0.296 163 G HA3 0.730 4.395 3.960 -0.492 0.000 0.296 163 G C -0.894 174.120 174.900 0.191 0.000 1.334 163 G CA -0.463 44.832 45.100 0.325 0.000 0.934 163 G HN 0.370 8.660 8.290 0.000 0.000 0.476 164 T N -1.327 113.290 114.554 0.106 0.000 2.841 164 T HA 0.700 4.755 4.350 -0.492 0.000 0.283 164 T C 1.095 175.844 174.700 0.081 0.000 1.000 164 T CA 0.474 62.623 62.100 0.082 0.000 0.977 164 T CB 1.390 70.267 68.868 0.015 0.000 0.979 164 T HN 2.295 10.535 8.240 0.000 0.000 0.446 165 G N 3.156 112.028 108.800 0.119 0.000 2.672 165 G HA2 -0.411 3.254 3.960 -0.492 0.000 0.324 165 G HA3 -0.411 3.254 3.960 -0.492 0.000 0.324 165 G C 1.238 176.252 174.900 0.189 0.000 1.286 165 G CA 1.611 46.793 45.100 0.135 0.000 1.004 165 G HN 1.927 10.217 8.290 0.000 0.000 0.548 166 T N -0.798 113.895 114.554 0.231 0.000 3.098 166 T HA 0.244 4.299 4.350 -0.492 0.000 0.266 166 T C 2.285 177.190 174.700 0.343 0.000 1.145 166 T CA 1.497 63.787 62.100 0.317 0.000 1.092 166 T CB -0.400 68.698 68.868 0.382 0.000 0.908 166 T HN 1.703 9.943 8.240 0.000 0.000 0.526 167 G N 1.087 110.014 108.800 0.211 0.000 2.625 167 G HA2 0.003 3.668 3.960 -0.492 0.000 0.214 167 G HA3 0.003 3.668 3.960 -0.492 0.000 0.214 167 G C 1.202 176.119 174.900 0.029 0.000 1.132 167 G CA 0.346 45.491 45.100 0.075 0.000 0.782 167 G HN 0.561 8.851 8.290 0.000 0.000 0.538 168 I N 1.119 121.807 120.570 0.197 0.000 2.546 168 I HA 0.109 3.984 4.170 -0.492 0.000 0.255 168 I C 2.798 179.008 176.117 0.156 0.000 1.163 168 I CA 0.868 62.353 61.300 0.309 0.000 1.457 168 I CB -0.175 38.118 38.000 0.490 0.000 1.092 168 I HN 0.158 8.368 8.210 0.000 0.000 0.434 169 A N 2.333 125.224 122.820 0.118 0.000 1.881 169 A HA -0.205 3.820 4.320 -0.492 0.000 0.219 169 A C 0.133 177.629 177.584 -0.147 0.000 1.215 169 A CA 2.568 54.628 52.037 0.039 0.000 0.648 169 A CB -2.486 16.562 19.000 0.080 0.000 0.832 169 A HN 0.473 8.623 8.150 0.000 0.000 0.455 170 P HA -0.076 4.344 4.420 0.000 0.000 0.223 170 P C 0.881 177.810 177.300 -0.619 0.000 1.151 170 P CA 0.818 63.618 63.100 -0.500 0.000 0.787 170 P CB -0.203 31.111 31.700 -0.643 0.000 0.788 171 F N 0.609 120.389 119.950 -0.282 0.000 2.367 171 F HA 0.114 4.682 4.527 0.068 0.000 0.298 171 F C 2.787 178.595 175.800 0.012 0.000 1.094 171 F CA 0.231 58.072 58.000 -0.265 0.000 1.409 171 F CB -1.364 37.544 39.000 -0.153 0.000 1.064 171 F HN -0.136 8.164 8.300 0.000 0.000 0.528 172 R N -0.043 120.602 120.500 0.241 0.000 2.115 172 R HA -0.129 3.916 4.340 -0.492 0.000 0.230 172 R C 2.472 178.890 176.300 0.198 0.000 1.111 172 R CA 1.304 57.558 56.100 0.257 0.000 0.976 172 R CB -0.362 29.876 30.300 -0.103 0.000 0.870 172 R HN 0.244 8.514 8.270 0.000 0.000 0.445 173 S N -0.085 115.665 115.700 0.083 0.000 2.348 173 S HA -0.123 4.052 4.470 -0.492 0.000 0.221 173 S C 1.715 176.486 174.600 0.285 0.000 1.033 173 S CA 1.077 59.352 58.200 0.124 0.000 1.010 173 S CB -0.295 62.959 63.200 0.089 0.000 0.891 173 S HN 0.335 8.645 8.310 0.000 0.000 0.442 174 F N 1.865 121.822 119.950 0.011 0.000 2.095 174 F HA -0.010 4.281 4.527 -0.393 0.000 0.298 174 F C 2.185 177.918 175.800 -0.111 0.000 1.104 174 F CA 0.776 58.725 58.000 -0.085 0.000 1.232 174 F CB -1.171 37.775 39.000 -0.090 0.000 0.987 174 F HN 0.213 8.513 8.300 0.000 0.000 0.475 175 L N -2.524 118.824 121.223 0.208 0.000 2.093 175 L HA -0.218 3.827 4.340 -0.492 0.000 0.208 175 L C 2.358 179.222 176.870 -0.010 0.000 1.085 175 L CA 1.065 55.938 54.840 0.055 0.000 0.755 175 L CB -0.808 41.311 42.059 0.099 0.000 0.904 175 L HN 0.139 8.369 8.230 0.000 0.000 0.435 176 W N 0.826 122.078 121.300 -0.081 0.000 2.335 176 W HA -0.206 4.155 4.660 -0.498 0.000 0.311 176 W C 2.794 179.316 176.519 0.005 0.000 1.213 176 W CA 1.506 58.847 57.345 -0.006 0.000 1.274 176 W CB -0.242 29.281 29.460 0.106 0.000 1.148 176 W HN 0.024 8.204 8.180 0.000 0.000 0.498 177 K N -0.280 120.216 120.400 0.160 0.000 2.097 177 K HA -0.205 3.820 4.320 -0.492 0.000 0.206 177 K C 1.898 178.430 176.600 -0.114 0.000 1.049 177 K CA 1.761 58.015 56.287 -0.055 0.000 0.933 177 K CB -0.359 31.995 32.500 -0.243 0.000 0.717 177 K HN 0.147 8.397 8.250 0.000 0.000 0.442 178 M N -0.978 118.466 119.600 -0.260 0.000 2.156 178 M HA -0.050 4.135 4.480 -0.492 0.000 0.264 178 M C 1.034 176.916 176.300 -0.696 0.000 1.067 178 M CA 1.452 56.412 55.300 -0.567 0.000 1.131 178 M CB 0.137 31.991 32.600 -1.243 0.000 1.368 178 M HN 0.066 8.356 8.290 0.000 0.000 0.416 179 F N -2.940 116.939 119.950 -0.119 0.000 2.789 179 F HA 0.219 4.446 4.527 -0.500 0.000 0.320 179 F C 1.210 177.023 175.800 0.021 0.000 1.079 179 F CA -0.164 57.757 58.000 -0.132 0.000 1.205 179 F CB 0.279 39.056 39.000 -0.372 0.000 1.046 179 F HN -0.071 8.229 8.300 0.000 0.000 0.586 180 F N 0.816 120.715 119.950 -0.084 0.000 2.678 180 F HA 0.308 4.543 4.527 -0.486 0.000 0.305 180 F C 0.216 175.987 175.800 -0.048 0.000 1.090 180 F CA -0.363 57.507 58.000 -0.217 0.000 1.272 180 F CB -0.335 38.251 39.000 -0.691 0.000 1.060 180 F HN -0.093 8.207 8.300 0.000 0.000 0.576 181 E N -0.185 120.154 120.200 0.231 0.000 2.293 181 E HA 0.346 4.400 4.350 -0.492 0.000 0.270 181 E C -0.941 175.826 176.600 0.278 0.000 0.879 181 E CA -1.098 55.464 56.400 0.269 0.000 0.756 181 E CB 2.396 32.331 29.700 0.391 0.000 1.208 181 E HN -0.288 8.072 8.360 0.000 0.000 0.428 182 K N 2.481 123.020 120.400 0.233 0.000 2.299 182 K HA 0.199 4.224 4.320 -0.492 0.000 0.268 182 K C -1.321 175.387 176.600 0.180 0.000 1.075 182 K CA -0.152 56.239 56.287 0.173 0.000 0.936 182 K CB 0.187 32.737 32.500 0.083 0.000 1.228 182 K HN 0.483 8.733 8.250 0.000 0.000 0.454 183 H N 3.048 122.170 119.070 0.085 0.000 2.476 183 H HA 0.049 4.312 4.556 -0.488 0.000 0.328 183 H C 0.572 175.942 175.328 0.071 0.000 1.073 183 H CA -0.394 55.708 56.048 0.090 0.000 1.229 183 H CB 2.000 31.845 29.762 0.139 0.000 1.432 183 H HN 0.783 9.063 8.280 0.000 0.000 0.477 184 E N 3.314 123.561 120.200 0.078 0.000 2.058 184 E HA -0.208 3.847 4.350 -0.492 0.000 0.194 184 E C 0.532 177.181 176.600 0.082 0.000 0.997 184 E CA 1.800 58.233 56.400 0.055 0.000 0.801 184 E CB 0.124 29.832 29.700 0.014 0.000 0.746 184 E HN 0.765 9.125 8.360 0.000 0.000 0.450 185 D N -1.342 119.130 120.400 0.120 0.000 2.349 185 D HA -0.119 4.226 4.640 -0.492 0.000 0.215 185 D C -0.022 176.398 176.300 0.200 0.000 1.016 185 D CA 0.014 54.090 54.000 0.126 0.000 0.870 185 D CB -0.211 40.654 40.800 0.108 0.000 0.917 185 D HN 0.227 8.597 8.370 0.000 0.000 0.524 186 Y N 0.855 121.203 120.300 0.081 0.000 2.317 186 Y HA 0.279 4.535 4.550 -0.491 0.000 0.329 186 Y C -1.376 174.559 175.900 0.058 0.000 1.101 186 Y CA -0.789 57.337 58.100 0.044 0.000 1.228 186 Y CB 1.060 39.509 38.460 -0.018 0.000 1.123 186 Y HN -0.309 7.971 8.280 0.000 0.000 0.457 187 Q N 5.947 125.601 119.800 -0.243 0.000 2.341 187 Q HA 0.260 4.305 4.340 -0.492 0.000 0.268 187 Q C -1.311 174.443 176.000 -0.410 0.000 1.013 187 Q CA -0.748 54.937 55.803 -0.196 0.000 0.798 187 Q CB 1.662 30.354 28.738 -0.076 0.000 1.253 187 Q HN 0.743 9.013 8.270 0.000 0.000 0.457 188 F N 3.423 123.042 119.950 -0.552 0.000 2.456 188 F HA 0.236 4.475 4.527 -0.480 0.000 0.358 188 F C 0.711 176.354 175.800 -0.263 0.000 1.095 188 F CA 0.462 58.143 58.000 -0.533 0.000 1.216 188 F CB 0.596 39.325 39.000 -0.453 0.000 1.125 188 F HN 0.450 8.750 8.300 0.000 0.000 0.549 189 N N 3.235 121.302 118.700 -1.054 0.000 2.217 189 N HA 0.149 4.594 4.740 -0.492 0.000 0.239 189 N C 0.343 175.359 175.510 -0.823 0.000 1.330 189 N CA 0.170 52.766 53.050 -0.757 0.000 0.838 189 N CB 0.833 39.103 38.487 -0.362 0.000 1.287 189 N HN 0.829 9.209 8.380 0.000 0.000 0.498 190 G N 0.478 108.418 108.800 -1.432 0.000 2.582 190 G HA2 0.427 4.092 3.960 -0.492 0.000 0.232 190 G HA3 0.427 4.092 3.960 -0.492 0.000 0.232 190 G C -0.609 174.153 174.900 -0.229 0.000 1.458 190 G CA -0.227 44.535 45.100 -0.563 0.000 1.062 190 G HN 0.128 8.418 8.290 0.000 0.000 0.566 191 L N -0.051 121.297 121.223 0.208 0.000 2.325 191 L HA 0.766 4.811 4.340 -0.492 0.000 0.281 191 L C 0.041 177.239 176.870 0.546 0.000 1.004 191 L CA -0.688 54.354 54.840 0.337 0.000 0.823 191 L CB 1.462 43.630 42.059 0.182 0.000 1.236 191 L HN 0.571 8.801 8.230 0.000 0.000 0.415 192 A N 5.161 128.344 122.820 0.605 0.000 2.256 192 A HA 0.522 4.547 4.320 -0.492 0.000 0.317 192 A C -1.620 176.197 177.584 0.389 0.000 1.318 192 A CA -0.402 51.940 52.037 0.509 0.000 0.894 192 A CB 0.175 19.526 19.000 0.585 0.000 1.165 192 A HN 0.738 8.888 8.150 0.000 0.000 0.525 193 W N 4.541 125.890 121.300 0.083 0.000 2.362 193 W HA 0.560 4.925 4.660 -0.492 0.000 0.316 193 W C -1.841 174.578 176.519 -0.166 0.000 1.024 193 W CA -1.571 55.698 57.345 -0.126 0.000 1.270 193 W CB 1.421 30.840 29.460 -0.068 0.000 1.273 193 W HN 0.516 8.696 8.180 0.000 0.000 0.424 194 L N 6.859 128.112 121.223 0.050 0.000 2.296 194 L HA 0.609 4.654 4.340 -0.492 0.000 0.286 194 L C -1.623 175.069 176.870 -0.298 0.000 1.023 194 L CA -0.125 54.636 54.840 -0.132 0.000 0.812 194 L CB 0.688 42.648 42.059 -0.163 0.000 1.223 194 L HN 0.188 8.418 8.230 0.000 0.000 0.421 195 F N 6.088 125.934 119.950 -0.172 0.000 2.449 195 F HA 0.597 4.819 4.527 -0.508 0.000 0.342 195 F C -0.612 175.192 175.800 0.007 0.000 1.127 195 F CA -0.521 57.416 58.000 -0.105 0.000 0.975 195 F CB 1.882 40.784 39.000 -0.164 0.000 1.146 195 F HN 0.348 8.648 8.300 0.000 0.000 0.444 196 L N 3.328 124.718 121.223 0.278 0.000 2.381 196 L HA 0.890 4.935 4.340 -0.492 0.000 0.274 196 L C -0.514 176.538 176.870 0.303 0.000 0.988 196 L CA -0.215 54.811 54.840 0.311 0.000 0.824 196 L CB 1.921 44.215 42.059 0.392 0.000 1.263 196 L HN 0.573 8.803 8.230 0.000 0.000 0.410 197 G N 4.440 113.378 108.800 0.230 0.000 2.368 197 G HA2 0.634 4.299 3.960 -0.492 0.000 0.320 197 G HA3 0.634 4.299 3.960 -0.492 0.000 0.320 197 G C -1.194 173.800 174.900 0.158 0.000 1.158 197 G CA -0.156 45.063 45.100 0.199 0.000 0.912 197 G HN 1.001 9.291 8.290 0.000 0.000 0.456 198 V N 0.120 120.108 119.914 0.123 0.000 3.159 198 V HA 0.719 4.544 4.120 -0.492 0.000 0.308 198 V C -2.126 174.008 176.094 0.066 0.000 1.190 198 V CA -1.943 60.407 62.300 0.083 0.000 1.037 198 V CB 2.304 34.150 31.823 0.037 0.000 1.060 198 V HN 0.454 8.644 8.190 0.000 0.000 0.437 199 P HA 0.050 4.470 4.420 0.000 0.000 0.220 199 P C 0.536 177.841 177.300 0.009 0.000 1.152 199 P CA 1.792 64.916 63.100 0.041 0.000 0.812 199 P CB 0.227 31.957 31.700 0.050 0.000 0.792 200 T N -5.490 109.061 114.554 -0.005 0.000 2.841 200 T HA 0.401 4.456 4.350 -0.492 0.000 0.296 200 T C 0.947 175.620 174.700 -0.045 0.000 1.166 200 T CA -0.431 61.657 62.100 -0.020 0.000 1.007 200 T CB 1.195 70.053 68.868 -0.016 0.000 1.253 200 T HN -0.274 7.966 8.240 0.000 0.000 0.511 201 S N 0.743 116.414 115.700 -0.049 0.000 2.402 201 S HA -0.069 4.106 4.470 -0.492 0.000 0.229 201 S C 2.197 176.745 174.600 -0.087 0.000 1.021 201 S CA 1.352 59.507 58.200 -0.077 0.000 0.974 201 S CB -0.574 62.595 63.200 -0.053 0.000 0.800 201 S HN 0.944 9.254 8.310 0.000 0.000 0.484 202 S N 1.077 116.738 115.700 -0.065 0.000 2.507 202 S HA 0.064 4.239 4.470 -0.492 0.000 0.235 202 S C 1.410 175.961 174.600 -0.082 0.000 0.988 202 S CA 0.659 58.817 58.200 -0.070 0.000 0.944 202 S CB -0.213 62.956 63.200 -0.052 0.000 0.762 202 S HN 0.316 8.626 8.310 0.000 0.000 0.526 203 S N 0.873 116.529 115.700 -0.074 0.000 2.540 203 S HA 0.382 4.557 4.470 -0.492 0.000 0.218 203 S C 0.302 174.847 174.600 -0.091 0.000 0.977 203 S CA -0.403 57.758 58.200 -0.066 0.000 0.918 203 S CB -0.198 62.987 63.200 -0.026 0.000 0.806 203 S HN 0.442 8.752 8.310 0.000 0.000 0.496 204 L N 3.019 124.155 121.223 -0.144 0.000 2.456 204 L HA 0.202 4.247 4.340 -0.492 0.000 0.277 204 L C -0.307 176.467 176.870 -0.160 0.000 1.124 204 L CA 0.012 54.724 54.840 -0.213 0.000 0.880 204 L CB 0.136 41.967 42.059 -0.379 0.000 1.192 204 L HN 0.130 8.360 8.230 0.000 0.000 0.463 205 L N 5.656 126.832 121.223 -0.078 0.000 2.319 205 L HA 0.159 4.204 4.340 -0.492 0.000 0.280 205 L C -0.036 176.823 176.870 -0.020 0.000 1.099 205 L CA -0.598 54.142 54.840 -0.168 0.000 0.828 205 L CB 0.037 42.058 42.059 -0.062 0.000 1.150 205 L HN 0.596 8.826 8.230 0.000 0.000 0.442 206 Y N 0.966 121.227 120.300 -0.066 0.000 4.079 206 Y HA -0.347 3.896 4.550 -0.512 0.000 0.223 206 Y C 1.785 177.524 175.900 -0.267 0.000 1.155 206 Y CA 1.001 58.938 58.100 -0.272 0.000 1.805 206 Y CB -1.857 36.265 38.460 -0.564 0.000 1.571 206 Y HN 0.632 8.912 8.280 0.000 0.000 0.654 207 K N 0.944 121.390 120.400 0.078 0.000 2.034 207 K HA -0.323 3.702 4.320 -0.492 0.000 0.214 207 K C 1.976 178.705 176.600 0.216 0.000 1.051 207 K CA 2.169 58.598 56.287 0.238 0.000 0.931 207 K CB -0.187 32.350 32.500 0.061 0.000 0.715 207 K HN 0.696 8.946 8.250 0.000 0.000 0.446 208 E N 0.379 120.634 120.200 0.092 0.000 2.085 208 E HA -0.227 3.828 4.350 -0.492 0.000 0.194 208 E C 1.796 178.451 176.600 0.091 0.000 0.994 208 E CA 1.546 57.996 56.400 0.083 0.000 0.801 208 E CB 0.059 29.781 29.700 0.038 0.000 0.743 208 E HN 0.395 8.755 8.360 0.000 0.000 0.453 209 E N -0.531 119.688 120.200 0.032 0.000 2.077 209 E HA -0.182 3.873 4.350 -0.492 0.000 0.193 209 E C 1.951 178.566 176.600 0.025 0.000 0.989 209 E CA 1.084 57.514 56.400 0.050 0.000 0.800 209 E CB -0.166 29.513 29.700 -0.036 0.000 0.746 209 E HN 0.308 8.668 8.360 0.000 0.000 0.452 210 F N 1.434 121.498 119.950 0.190 0.000 2.186 210 F HA -0.087 4.137 4.527 -0.504 0.000 0.299 210 F C 2.130 178.051 175.800 0.201 0.000 1.090 210 F CA 0.945 59.062 58.000 0.196 0.000 1.307 210 F CB -0.600 38.627 39.000 0.378 0.000 1.019 210 F HN -0.003 8.297 8.300 0.000 0.000 0.489 211 E N 0.075 120.477 120.200 0.337 0.000 2.204 211 E HA -0.178 3.877 4.350 -0.492 0.000 0.194 211 E C 1.952 178.639 176.600 0.146 0.000 0.989 211 E CA 0.931 57.462 56.400 0.219 0.000 0.824 211 E CB -0.113 29.696 29.700 0.182 0.000 0.756 211 E HN 0.424 8.784 8.360 0.000 0.000 0.477 212 K N 0.210 120.697 120.400 0.145 0.000 2.103 212 K HA -0.014 4.011 4.320 -0.492 0.000 0.204 212 K C 2.062 178.727 176.600 0.108 0.000 1.052 212 K CA 1.057 57.425 56.287 0.135 0.000 0.945 212 K CB 0.001 32.618 32.500 0.195 0.000 0.722 212 K HN 0.104 8.354 8.250 0.000 0.000 0.443 213 M N 0.796 120.397 119.600 0.001 0.000 2.229 213 M HA -0.111 4.074 4.480 -0.492 0.000 0.264 213 M C 2.113 178.295 176.300 -0.195 0.000 1.063 213 M CA 1.220 56.351 55.300 -0.281 0.000 1.114 213 M CB -0.150 31.967 32.600 -0.805 0.000 1.387 213 M HN -0.085 8.205 8.290 0.000 0.000 0.420 214 K N 1.184 121.627 120.400 0.072 0.000 2.103 214 K HA -0.127 3.898 4.320 -0.492 0.000 0.204 214 K C 1.702 178.309 176.600 0.012 0.000 1.052 214 K CA 1.391 57.751 56.287 0.122 0.000 0.945 214 K CB -0.198 32.366 32.500 0.105 0.000 0.722 214 K HN 0.403 8.653 8.250 0.000 0.000 0.443 215 E N 0.092 120.306 120.200 0.023 0.000 2.274 215 E HA -0.130 3.925 4.350 -0.492 0.000 0.194 215 E C 1.075 177.680 176.600 0.009 0.000 0.996 215 E CA 0.839 57.248 56.400 0.015 0.000 0.840 215 E CB 0.173 29.890 29.700 0.029 0.000 0.772 215 E HN 0.238 8.598 8.360 0.000 0.000 0.491 216 K N -0.637 119.766 120.400 0.006 0.000 2.334 216 K HA 0.178 4.202 4.320 -0.492 0.000 0.195 216 K C 0.298 176.903 176.600 0.008 0.000 1.045 216 K CA 0.566 56.865 56.287 0.020 0.000 1.004 216 K CB 1.053 33.591 32.500 0.064 0.000 0.837 216 K HN -0.019 8.231 8.250 0.000 0.000 0.510 217 A N 2.093 124.881 122.820 -0.054 0.000 3.370 217 A HA 0.232 4.257 4.320 -0.492 0.000 0.295 217 A C -2.221 175.330 177.584 -0.055 0.000 1.030 217 A CA -0.882 51.133 52.037 -0.037 0.000 0.883 217 A CB 0.455 19.405 19.000 -0.083 0.000 1.191 217 A HN -0.102 8.048 8.150 0.000 0.000 0.507 218 P HA -0.141 4.279 4.420 0.000 0.000 0.225 218 P C 0.630 177.877 177.300 -0.088 0.000 1.148 218 P CA 1.167 64.227 63.100 -0.067 0.000 0.779 218 P CB 0.628 32.298 31.700 -0.050 0.000 0.780 219 E N 1.097 121.263 120.200 -0.056 0.000 2.035 219 E HA -0.046 4.009 4.350 -0.492 0.000 0.191 219 E C 1.526 178.085 176.600 -0.069 0.000 0.966 219 E CA 0.999 57.360 56.400 -0.064 0.000 0.823 219 E CB -0.964 28.716 29.700 -0.034 0.000 0.791 219 E HN 0.402 8.762 8.360 0.000 0.000 0.459 220 N N 0.531 119.239 118.700 0.014 0.000 2.370 220 N HA -0.043 4.402 4.740 -0.492 0.000 0.198 220 N C -0.450 175.187 175.510 0.211 0.000 1.156 220 N CA -0.044 53.065 53.050 0.098 0.000 0.839 220 N CB -0.253 38.325 38.487 0.153 0.000 0.989 220 N HN -0.033 8.347 8.380 0.000 0.000 0.468 221 F N 1.261 121.105 119.950 -0.176 0.000 2.507 221 F HA 0.511 4.735 4.527 -0.504 0.000 0.328 221 F C -0.781 174.805 175.800 -0.357 0.000 1.136 221 F CA -1.298 56.517 58.000 -0.308 0.000 0.930 221 F CB 1.322 39.877 39.000 -0.741 0.000 1.166 221 F HN -0.186 8.114 8.300 0.000 0.000 0.436 222 R N 5.667 125.603 120.500 -0.940 0.000 2.562 222 R HA 0.723 4.768 4.340 -0.492 0.000 0.298 222 R C -1.931 173.593 176.300 -1.294 0.000 0.961 222 R CA -1.283 54.148 56.100 -1.115 0.000 0.881 222 R CB 2.432 31.866 30.300 -1.442 0.000 1.159 222 R HN 0.617 8.887 8.270 0.000 0.000 0.450 223 L N 2.299 122.880 121.223 -1.070 0.000 2.406 223 L HA 0.432 4.477 4.340 -0.492 0.000 0.272 223 L C -1.475 174.926 176.870 -0.782 0.000 0.980 223 L CA -0.172 54.085 54.840 -0.971 0.000 0.831 223 L CB 1.934 43.429 42.059 -0.939 0.000 1.253 223 L HN 0.563 8.793 8.230 0.000 0.000 0.406 224 D N 5.161 125.109 120.400 -0.753 0.000 2.549 224 D HA 0.332 4.677 4.640 -0.492 0.000 0.251 224 D C -1.075 175.032 176.300 -0.322 0.000 1.153 224 D CA -0.067 53.611 54.000 -0.537 0.000 0.861 224 D CB 1.475 41.955 40.800 -0.533 0.000 1.207 224 D HN 0.173 8.543 8.370 0.000 0.000 0.543 225 F N 1.121 121.074 119.950 0.005 0.000 2.379 225 F HA 0.534 4.758 4.527 -0.506 0.000 0.332 225 F C 0.776 176.634 175.800 0.098 0.000 1.096 225 F CA -1.212 56.825 58.000 0.062 0.000 1.105 225 F CB 1.394 40.432 39.000 0.063 0.000 1.189 225 F HN 0.252 8.552 8.300 0.000 0.000 0.515 226 A N 2.351 125.368 122.820 0.329 0.000 2.646 226 A HA 0.620 4.645 4.320 -0.492 0.000 0.312 226 A C -1.341 176.330 177.584 0.145 0.000 1.245 226 A CA -0.561 51.605 52.037 0.216 0.000 0.755 226 A CB 0.129 19.264 19.000 0.226 0.000 1.132 226 A HN 0.481 8.631 8.150 0.000 0.000 0.458 227 V N 3.478 123.448 119.914 0.094 0.000 2.322 227 V HA 0.102 3.927 4.120 -0.492 0.000 0.258 227 V C 1.702 177.783 176.094 -0.021 0.000 1.074 227 V CA 0.537 62.858 62.300 0.035 0.000 0.909 227 V CB -0.141 31.694 31.823 0.020 0.000 1.090 227 V HN 1.067 9.257 8.190 0.000 0.000 0.486 228 S N 4.913 120.582 115.700 -0.051 0.000 2.374 228 S HA -0.225 3.950 4.470 -0.492 0.000 0.227 228 S C 1.607 176.102 174.600 -0.174 0.000 1.037 228 S CA 1.190 59.267 58.200 -0.205 0.000 1.024 228 S CB -0.267 62.800 63.200 -0.222 0.000 0.861 228 S HN 0.734 9.044 8.310 0.000 0.000 0.456 229 R N 0.848 121.302 120.500 -0.077 0.000 2.317 229 R HA 0.281 4.326 4.340 -0.492 0.000 0.208 229 R C 1.271 177.546 176.300 -0.042 0.000 0.914 229 R CA 0.611 56.678 56.100 -0.055 0.000 1.060 229 R CB -0.026 30.261 30.300 -0.020 0.000 1.015 229 R HN 0.649 8.919 8.270 0.000 0.000 0.498 230 E N 0.189 120.366 120.200 -0.038 0.000 2.453 230 E HA 0.071 4.126 4.350 -0.492 0.000 0.211 230 E C 0.014 176.600 176.600 -0.023 0.000 0.897 230 E CA 0.134 56.519 56.400 -0.024 0.000 1.063 230 E CB 0.751 30.443 29.700 -0.013 0.000 1.080 230 E HN 0.223 8.583 8.360 0.000 0.000 0.512 231 Q N 0.600 120.381 119.800 -0.032 0.000 2.351 231 Q HA 0.636 4.681 4.340 -0.492 0.000 0.273 231 Q C -1.220 174.751 176.000 -0.047 0.000 1.077 231 Q CA -0.683 55.107 55.803 -0.022 0.000 0.843 231 Q CB 3.420 32.162 28.738 0.006 0.000 1.367 231 Q HN -0.140 8.130 8.270 0.000 0.000 0.449 232 V N 1.745 121.639 119.914 -0.033 0.000 3.048 232 V HA 0.284 4.109 4.120 -0.492 0.000 0.303 232 V C -1.112 174.967 176.094 -0.024 0.000 1.214 232 V CA -0.741 61.535 62.300 -0.040 0.000 0.984 232 V CB 2.426 34.227 31.823 -0.037 0.000 1.054 232 V HN 0.979 9.169 8.190 0.000 0.000 0.430 233 N N 2.817 121.503 118.700 -0.024 0.000 2.374 233 N HA 0.105 4.549 4.740 -0.492 0.000 0.284 233 N C 0.855 176.354 175.510 -0.018 0.000 1.280 233 N CA 0.394 53.433 53.050 -0.018 0.000 0.963 233 N CB 0.068 38.545 38.487 -0.017 0.000 1.141 233 N HN 0.715 9.095 8.380 0.000 0.000 0.565 234 D N -0.701 119.688 120.400 -0.018 0.000 2.221 234 D HA -0.220 4.125 4.640 -0.492 0.000 0.204 234 D C 0.695 176.986 176.300 -0.014 0.000 0.982 234 D CA 1.651 55.641 54.000 -0.017 0.000 0.857 234 D CB -0.322 40.467 40.800 -0.018 0.000 0.934 234 D HN 0.669 9.039 8.370 0.000 0.000 0.475 235 K N -0.850 119.542 120.400 -0.014 0.000 2.444 235 K HA 0.275 4.300 4.320 -0.492 0.000 0.193 235 K C 1.255 177.848 176.600 -0.012 0.000 1.024 235 K CA 0.475 56.755 56.287 -0.012 0.000 1.077 235 K CB 0.341 32.835 32.500 -0.010 0.000 0.833 235 K HN 0.294 8.544 8.250 0.000 0.000 0.517 236 G N 1.840 110.631 108.800 -0.016 0.000 2.143 236 G HA2 -0.279 3.386 3.960 -0.492 0.000 0.249 236 G HA3 -0.279 3.386 3.960 -0.492 0.000 0.249 236 G C -0.488 174.397 174.900 -0.024 0.000 0.981 236 G CA -0.096 44.992 45.100 -0.018 0.000 0.665 236 G HN 0.384 8.674 8.290 0.000 0.000 0.528 237 E N 0.549 120.735 120.200 -0.024 0.000 2.331 237 E HA 0.384 4.438 4.350 -0.492 0.000 0.272 237 E C 0.376 176.932 176.600 -0.074 0.000 1.036 237 E CA -0.516 55.868 56.400 -0.027 0.000 0.864 237 E CB 0.908 30.606 29.700 -0.003 0.000 1.035 237 E HN 0.291 8.651 8.360 0.000 0.000 0.408 238 K N 1.830 122.146 120.400 -0.141 0.000 2.484 238 K HA -0.024 4.001 4.320 -0.492 0.000 0.280 238 K C 0.057 176.457 176.600 -0.334 0.000 1.013 238 K CA 0.008 56.109 56.287 -0.311 0.000 1.029 238 K CB 0.271 32.417 32.500 -0.590 0.000 0.902 238 K HN 0.285 8.535 8.250 0.000 0.000 0.481 239 M N 5.123 124.581 119.600 -0.237 0.000 2.869 239 M HA 0.073 4.258 4.480 -0.492 0.000 0.299 239 M C -1.365 174.869 176.300 -0.110 0.000 1.508 239 M CA 0.355 55.589 55.300 -0.109 0.000 1.551 239 M CB -0.511 32.075 32.600 -0.023 0.000 1.384 239 M HN 0.320 8.610 8.290 0.000 0.000 0.491 240 Y N 2.000 122.324 120.300 0.041 0.000 2.340 240 Y HA 0.243 4.497 4.550 -0.494 0.000 0.327 240 Y C 1.458 177.390 175.900 0.053 0.000 1.321 240 Y CA -0.494 57.630 58.100 0.041 0.000 1.433 240 Y CB 0.379 38.850 38.460 0.020 0.000 1.373 240 Y HN 0.583 8.863 8.280 0.000 0.000 0.538 241 I N 0.873 121.590 120.570 0.245 0.000 2.194 241 I HA -0.359 3.516 4.170 -0.492 0.000 0.246 241 I C 2.196 178.340 176.117 0.046 0.000 1.093 241 I CA 1.723 63.112 61.300 0.147 0.000 1.355 241 I CB -0.137 37.927 38.000 0.106 0.000 1.046 241 I HN 0.745 8.955 8.210 0.000 0.000 0.413 242 Q N -0.281 119.536 119.800 0.028 0.000 2.297 242 Q HA -0.133 3.912 4.340 -0.492 0.000 0.204 242 Q C 1.769 177.766 176.000 -0.005 0.000 0.962 242 Q CA 1.901 57.681 55.803 -0.038 0.000 0.879 242 Q CB -1.177 27.538 28.738 -0.037 0.000 0.947 242 Q HN 0.447 8.717 8.270 0.000 0.000 0.462 243 T N 0.989 115.582 114.554 0.064 0.000 2.942 243 T HA -0.046 4.009 4.350 -0.492 0.000 0.265 243 T C 1.785 176.518 174.700 0.055 0.000 1.062 243 T CA 1.284 63.416 62.100 0.054 0.000 1.139 243 T CB -0.039 68.871 68.868 0.070 0.000 0.883 243 T HN 0.242 8.482 8.240 0.000 0.000 0.468 244 R N 1.354 121.919 120.500 0.109 0.000 2.075 244 R HA 0.235 4.280 4.340 -0.492 0.000 0.226 244 R C 2.258 178.717 176.300 0.264 0.000 1.114 244 R CA 1.227 57.448 56.100 0.202 0.000 0.972 244 R CB -0.656 29.834 30.300 0.316 0.000 0.869 244 R HN 0.335 8.605 8.270 0.000 0.000 0.437 245 M N -0.116 119.525 119.600 0.069 0.000 2.202 245 M HA -0.091 4.094 4.480 -0.492 0.000 0.262 245 M C 2.183 178.482 176.300 -0.002 0.000 1.063 245 M CA 1.831 57.045 55.300 -0.144 0.000 1.097 245 M CB -0.315 31.981 32.600 -0.505 0.000 1.382 245 M HN 0.309 8.599 8.290 0.000 0.000 0.413 246 A N 0.191 122.996 122.820 -0.025 0.000 1.978 246 A HA -0.217 3.808 4.320 -0.492 0.000 0.220 246 A C 1.963 179.524 177.584 -0.038 0.000 1.170 246 A CA 1.535 53.549 52.037 -0.038 0.000 0.636 246 A CB -0.682 18.293 19.000 -0.042 0.000 0.810 246 A HN 0.611 8.761 8.150 0.000 0.000 0.448 247 Q N -2.049 117.706 119.800 -0.075 0.000 2.364 247 Q HA -0.125 3.920 4.340 -0.492 0.000 0.207 247 Q C 0.102 175.888 176.000 -0.356 0.000 0.970 247 Q CA 1.072 56.728 55.803 -0.245 0.000 0.888 247 Q CB -0.132 28.376 28.738 -0.384 0.000 0.951 247 Q HN 0.911 9.181 8.270 0.000 0.000 0.469 248 Y N -1.772 118.596 120.300 0.113 0.000 2.706 248 Y HA 0.404 4.660 4.550 -0.491 0.000 0.255 248 Y C 1.436 177.387 175.900 0.084 0.000 1.163 248 Y CA -0.228 57.969 58.100 0.161 0.000 1.174 248 Y CB -0.010 38.624 38.460 0.289 0.000 1.200 248 Y HN 0.027 8.307 8.280 0.000 0.000 0.544 249 A N 0.638 123.534 122.820 0.126 0.000 1.903 249 A HA -0.299 3.726 4.320 -0.492 0.000 0.219 249 A C 2.266 179.936 177.584 0.143 0.000 1.191 249 A CA 2.347 54.426 52.037 0.070 0.000 0.638 249 A CB -0.441 18.553 19.000 -0.010 0.000 0.823 249 A HN 0.558 8.708 8.150 0.000 0.000 0.451 250 E N -0.068 120.222 120.200 0.150 0.000 2.033 250 E HA -0.295 3.760 4.350 -0.492 0.000 0.199 250 E C 1.876 178.617 176.600 0.235 0.000 1.011 250 E CA 1.933 58.444 56.400 0.185 0.000 0.815 250 E CB -0.195 29.590 29.700 0.142 0.000 0.755 250 E HN 0.709 9.069 8.360 0.000 0.000 0.451 251 E N 0.793 121.147 120.200 0.257 0.000 2.051 251 E HA -0.141 3.914 4.350 -0.492 0.000 0.192 251 E C 2.289 179.051 176.600 0.269 0.000 0.991 251 E CA 1.209 57.782 56.400 0.288 0.000 0.799 251 E CB -0.250 29.699 29.700 0.415 0.000 0.748 251 E HN 0.296 8.656 8.360 0.000 0.000 0.449 252 L N -0.032 121.325 121.223 0.224 0.000 2.046 252 L HA -0.148 3.897 4.340 -0.492 0.000 0.208 252 L C 2.417 179.407 176.870 0.200 0.000 1.077 252 L CA 1.169 56.086 54.840 0.128 0.000 0.747 252 L CB -0.478 41.563 42.059 -0.029 0.000 0.896 252 L HN 0.404 8.634 8.230 0.000 0.000 0.432 253 W N 1.357 122.678 121.300 0.035 0.000 2.338 253 W HA -0.284 4.079 4.660 -0.496 0.000 0.304 253 W C 2.345 178.913 176.519 0.082 0.000 1.212 253 W CA 1.734 59.101 57.345 0.037 0.000 1.264 253 W CB 0.134 29.594 29.460 0.000 0.000 1.142 253 W HN 0.204 8.384 8.180 0.000 0.000 0.512 254 E N 0.651 120.837 120.200 -0.023 0.000 2.077 254 E HA -0.211 3.844 4.350 -0.492 0.000 0.193 254 E C 2.254 178.809 176.600 -0.075 0.000 0.989 254 E CA 1.841 58.184 56.400 -0.094 0.000 0.800 254 E CB -0.827 28.900 29.700 0.045 0.000 0.746 254 E HN 0.322 8.682 8.360 0.000 0.000 0.452 255 L N -0.251 120.991 121.223 0.031 0.000 2.109 255 L HA -0.074 3.971 4.340 -0.492 0.000 0.207 255 L C 2.370 179.252 176.870 0.021 0.000 1.086 255 L CA 0.531 55.409 54.840 0.064 0.000 0.760 255 L CB -0.270 41.887 42.059 0.163 0.000 0.910 255 L HN 0.184 8.414 8.230 0.000 0.000 0.437 256 L N -0.188 121.033 121.223 -0.004 0.000 2.265 256 L HA -0.209 3.836 4.340 -0.492 0.000 0.215 256 L C 2.285 179.120 176.870 -0.057 0.000 1.117 256 L CA 1.261 56.118 54.840 0.028 0.000 0.782 256 L CB -0.220 41.920 42.059 0.135 0.000 0.914 256 L HN 0.261 8.491 8.230 0.000 0.000 0.441 257 K N -0.651 119.599 120.400 -0.249 0.000 2.361 257 K HA -0.008 4.017 4.320 -0.492 0.000 0.196 257 K C 0.536 177.089 176.600 -0.080 0.000 1.039 257 K CA 0.080 56.235 56.287 -0.220 0.000 1.001 257 K CB 0.249 32.485 32.500 -0.440 0.000 0.795 257 K HN 0.020 8.270 8.250 0.000 0.000 0.495 258 K N 1.788 122.157 120.400 -0.051 0.000 2.319 258 K HA -0.047 3.978 4.320 -0.492 0.000 0.265 258 K C 0.704 177.294 176.600 -0.017 0.000 1.000 258 K CA 0.231 56.508 56.287 -0.016 0.000 0.943 258 K CB 0.520 33.029 32.500 0.015 0.000 0.950 258 K HN 0.102 8.352 8.250 0.000 0.000 0.485 259 D N 0.333 120.725 120.400 -0.014 0.000 2.349 259 D HA -0.098 4.247 4.640 -0.492 0.000 0.215 259 D C -0.056 176.203 176.300 -0.068 0.000 1.016 259 D CA 0.310 54.287 54.000 -0.038 0.000 0.870 259 D CB -0.010 40.782 40.800 -0.013 0.000 0.917 259 D HN 0.515 8.885 8.370 0.000 0.000 0.524 260 N N 0.195 118.888 118.700 -0.011 0.000 2.275 260 N HA 0.015 4.460 4.740 -0.492 0.000 0.236 260 N C -0.701 174.871 175.510 0.103 0.000 1.154 260 N CA -0.338 52.750 53.050 0.062 0.000 0.866 260 N CB 0.040 38.608 38.487 0.136 0.000 1.093 260 N HN -0.202 8.178 8.380 0.000 0.000 0.515 261 T N 1.332 115.868 114.554 -0.030 0.000 2.744 261 T HA 0.406 4.461 4.350 -0.492 0.000 0.291 261 T C -0.999 173.662 174.700 -0.065 0.000 0.957 261 T CA -0.177 61.968 62.100 0.075 0.000 1.002 261 T CB 0.241 69.155 68.868 0.077 0.000 0.919 261 T HN 0.036 8.276 8.240 0.000 0.000 0.468 262 F N 2.395 122.450 119.950 0.176 0.000 2.467 262 F HA 0.537 4.766 4.527 -0.496 0.000 0.336 262 F C 0.044 175.913 175.800 0.116 0.000 1.123 262 F CA -0.969 57.115 58.000 0.140 0.000 0.964 262 F CB 1.466 40.616 39.000 0.250 0.000 1.136 262 F HN 0.186 8.486 8.300 0.000 0.000 0.447 263 V N 4.112 124.070 119.914 0.074 0.000 2.483 263 V HA 0.375 4.200 4.120 -0.492 0.000 0.295 263 V C -0.993 174.896 176.094 -0.342 0.000 1.035 263 V CA -0.978 61.265 62.300 -0.095 0.000 0.896 263 V CB 1.335 32.978 31.823 -0.300 0.000 0.986 263 V HN 0.511 8.701 8.190 0.000 0.000 0.447 264 Y N 3.985 124.200 120.300 -0.141 0.000 2.376 264 Y HA 0.686 4.927 4.550 -0.515 0.000 0.340 264 Y C 0.056 175.924 175.900 -0.054 0.000 0.965 264 Y CA -0.646 57.437 58.100 -0.029 0.000 1.078 264 Y CB 2.027 40.627 38.460 0.234 0.000 1.193 264 Y HN 0.518 8.798 8.280 0.000 0.000 0.452 265 M N 4.474 124.149 119.600 0.125 0.000 2.259 265 M HA 0.639 4.824 4.480 -0.492 0.000 0.304 265 M C -1.941 174.454 176.300 0.159 0.000 1.019 265 M CA -0.327 55.026 55.300 0.088 0.000 0.922 265 M CB 1.240 33.758 32.600 -0.136 0.000 1.600 265 M HN 0.875 9.165 8.290 0.000 0.000 0.433 266 C N 4.097 123.504 119.300 0.178 0.000 2.880 266 C HA 0.998 5.163 4.460 -0.492 0.000 0.320 266 C C 0.180 175.052 174.990 -0.196 0.000 1.176 266 C CA 1.015 60.004 59.018 -0.048 0.000 1.390 266 C CB 1.078 28.691 27.740 -0.212 0.000 1.846 266 C HN 1.161 9.391 8.230 0.000 0.000 0.478 267 G N 3.668 112.108 108.800 -0.600 0.000 2.233 267 G HA2 0.093 3.758 3.960 -0.492 0.000 0.162 267 G HA3 0.093 3.758 3.960 -0.492 0.000 0.162 267 G C -1.185 173.195 174.900 -0.866 0.000 1.327 267 G CA -0.520 44.156 45.100 -0.708 0.000 1.187 267 G HN 0.935 9.225 8.290 0.000 0.000 0.479 268 L N 1.472 122.409 121.223 -0.476 0.000 2.525 268 L HA 0.128 4.173 4.340 -0.492 0.000 0.278 268 L C 2.152 178.864 176.870 -0.263 0.000 1.218 268 L CA -0.225 54.412 54.840 -0.339 0.000 0.878 268 L CB 0.684 42.636 42.059 -0.178 0.000 1.127 268 L HN 0.608 8.838 8.230 0.000 0.000 0.492 269 K N 2.798 123.077 120.400 -0.203 0.000 2.152 269 K HA -0.147 3.878 4.320 -0.492 0.000 0.206 269 K C 1.647 178.200 176.600 -0.078 0.000 1.048 269 K CA 1.678 57.899 56.287 -0.110 0.000 0.933 269 K CB -0.132 32.331 32.500 -0.061 0.000 0.721 269 K HN 0.925 9.175 8.250 0.000 0.000 0.447 270 G N 1.529 110.275 108.800 -0.091 0.000 2.464 270 G HA2 -0.195 3.470 3.960 -0.492 0.000 0.217 270 G HA3 -0.195 3.470 3.960 -0.492 0.000 0.217 270 G C 1.581 176.430 174.900 -0.084 0.000 1.138 270 G CA 0.647 45.698 45.100 -0.082 0.000 0.793 270 G HN 0.468 8.758 8.290 0.000 0.000 0.539 271 M N 0.054 119.597 119.600 -0.096 0.000 2.255 271 M HA -0.038 4.147 4.480 -0.492 0.000 0.259 271 M C 1.998 178.282 176.300 -0.027 0.000 1.071 271 M CA 2.209 57.462 55.300 -0.078 0.000 1.074 271 M CB -0.520 32.039 32.600 -0.068 0.000 1.384 271 M HN 0.231 8.521 8.290 0.000 0.000 0.415 272 E N 1.154 121.353 120.200 -0.000 0.000 2.130 272 E HA -0.230 3.824 4.350 -0.492 0.000 0.196 272 E C 2.123 178.778 176.600 0.090 0.000 0.998 272 E CA 1.729 58.172 56.400 0.071 0.000 0.806 272 E CB 0.008 29.748 29.700 0.067 0.000 0.738 272 E HN 0.667 9.027 8.360 0.000 0.000 0.459 273 K N -0.794 119.628 120.400 0.035 0.000 2.098 273 K HA -0.046 3.979 4.320 -0.492 0.000 0.203 273 K C 2.139 178.747 176.600 0.013 0.000 1.051 273 K CA 0.979 57.285 56.287 0.032 0.000 0.957 273 K CB -0.169 32.334 32.500 0.005 0.000 0.738 273 K HN 0.198 8.448 8.250 0.000 0.000 0.447 274 G N 1.624 110.412 108.800 -0.020 0.000 2.442 274 G HA2 -0.238 3.426 3.960 -0.492 0.000 0.219 274 G HA3 -0.238 3.426 3.960 -0.492 0.000 0.219 274 G C 1.479 176.364 174.900 -0.026 0.000 1.141 274 G CA 0.890 45.969 45.100 -0.033 0.000 0.763 274 G HN 0.245 8.535 8.290 0.000 0.000 0.554 275 I N 0.592 121.165 120.570 0.005 0.000 2.202 275 I HA -0.105 3.770 4.170 -0.492 0.000 0.242 275 I C 2.281 178.397 176.117 -0.002 0.000 1.091 275 I CA 1.121 62.431 61.300 0.016 0.000 1.368 275 I CB -0.168 37.893 38.000 0.102 0.000 1.058 275 I HN 0.008 8.218 8.210 0.000 0.000 0.410 276 D N 0.779 121.227 120.400 0.081 0.000 2.178 276 D HA -0.169 4.176 4.640 -0.492 0.000 0.201 276 D C 1.723 177.982 176.300 -0.068 0.000 0.980 276 D CA 1.139 55.190 54.000 0.086 0.000 0.842 276 D CB -0.254 40.689 40.800 0.237 0.000 0.948 276 D HN 0.270 8.640 8.370 0.000 0.000 0.472 277 D N 0.135 120.506 120.400 -0.050 0.000 2.097 277 D HA -0.110 4.235 4.640 -0.492 0.000 0.195 277 D C 2.074 178.285 176.300 -0.149 0.000 0.989 277 D CA 0.213 54.168 54.000 -0.074 0.000 0.827 277 D CB -0.163 40.608 40.800 -0.049 0.000 0.966 277 D HN 0.132 8.502 8.370 0.000 0.000 0.456 278 I N 0.690 121.162 120.570 -0.164 0.000 2.286 278 I HA -0.211 3.664 4.170 -0.492 0.000 0.248 278 I C 1.822 177.730 176.117 -0.349 0.000 1.115 278 I CA 1.051 62.227 61.300 -0.206 0.000 1.392 278 I CB -0.267 37.634 38.000 -0.165 0.000 1.065 278 I HN 0.020 8.230 8.210 0.000 0.000 0.418 279 M N -0.789 118.490 119.600 -0.535 0.000 2.156 279 M HA -0.089 4.096 4.480 -0.492 0.000 0.264 279 M C 2.394 178.155 176.300 -0.900 0.000 1.067 279 M CA 1.085 55.782 55.300 -1.005 0.000 1.131 279 M CB -1.673 29.706 32.600 -2.034 0.000 1.368 279 M HN 0.033 8.323 8.290 0.000 0.000 0.416 280 V N 0.320 119.896 119.914 -0.563 0.000 2.407 280 V HA -0.255 3.570 4.120 -0.492 0.000 0.248 280 V C 2.343 178.291 176.094 -0.243 0.000 1.055 280 V CA 2.064 64.244 62.300 -0.200 0.000 1.049 280 V CB -0.396 31.415 31.823 -0.021 0.000 0.662 280 V HN 0.460 8.650 8.190 0.000 0.000 0.455 281 S N -0.034 115.503 115.700 -0.272 0.000 2.356 281 S HA -0.165 4.010 4.470 -0.492 0.000 0.223 281 S C 1.800 176.194 174.600 -0.342 0.000 1.032 281 S CA 1.829 59.883 58.200 -0.243 0.000 1.005 281 S CB -0.385 62.694 63.200 -0.202 0.000 0.867 281 S HN 0.513 8.823 8.310 0.000 0.000 0.449 282 L N 1.262 122.185 121.223 -0.501 0.000 1.976 282 L HA -0.170 3.875 4.340 -0.492 0.000 0.209 282 L C 2.916 179.150 176.870 -1.059 0.000 1.071 282 L CA 1.397 55.783 54.840 -0.755 0.000 0.746 282 L CB -0.826 40.702 42.059 -0.885 0.000 0.890 282 L HN 0.347 8.577 8.230 0.000 0.000 0.432 283 A N -0.125 121.982 122.820 -1.189 0.000 1.892 283 A HA -0.257 3.768 4.320 -0.492 0.000 0.218 283 A C 2.505 179.874 177.584 -0.358 0.000 1.188 283 A CA 2.039 53.564 52.037 -0.853 0.000 0.631 283 A CB -0.922 17.919 19.000 -0.265 0.000 0.822 283 A HN 0.462 8.612 8.150 0.000 0.000 0.447 284 A N 0.107 122.758 122.820 -0.281 0.000 1.859 284 A HA -0.243 3.782 4.320 -0.492 0.000 0.218 284 A C 1.944 179.438 177.584 -0.150 0.000 1.209 284 A CA 2.172 54.114 52.037 -0.159 0.000 0.639 284 A CB -0.537 18.376 19.000 -0.144 0.000 0.835 284 A HN 0.380 8.530 8.150 0.000 0.000 0.450 285 K N -0.134 120.149 120.400 -0.195 0.000 2.442 285 K HA -0.141 3.884 4.320 -0.492 0.000 0.199 285 K C 0.621 177.161 176.600 -0.100 0.000 1.044 285 K CA 1.547 57.749 56.287 -0.142 0.000 0.941 285 K CB -0.569 31.836 32.500 -0.157 0.000 0.759 285 K HN 0.630 8.880 8.250 0.000 0.000 0.472 286 D N -0.824 119.506 120.400 -0.116 0.000 2.398 286 D HA 0.126 4.471 4.640 -0.492 0.000 0.210 286 D C 0.298 176.612 176.300 0.022 0.000 1.094 286 D CA 0.481 54.488 54.000 0.013 0.000 0.839 286 D CB 0.473 41.378 40.800 0.174 0.000 0.963 286 D HN 0.274 8.644 8.370 0.000 0.000 0.506 287 G N 1.132 109.920 108.800 -0.020 0.000 2.256 287 G HA2 -0.200 3.465 3.960 -0.492 0.000 0.272 287 G HA3 -0.200 3.465 3.960 -0.492 0.000 0.272 287 G C -0.122 174.782 174.900 0.006 0.000 1.076 287 G CA 0.103 45.198 45.100 -0.008 0.000 0.882 287 G HN 0.256 8.546 8.290 0.000 0.000 0.497 288 I N -0.411 120.162 120.570 0.005 0.000 2.689 288 I HA 0.462 4.337 4.170 -0.492 0.000 0.299 288 I C -0.579 175.566 176.117 0.046 0.000 1.059 288 I CA -1.652 59.669 61.300 0.034 0.000 1.055 288 I CB 1.968 40.025 38.000 0.095 0.000 1.243 288 I HN 0.121 8.331 8.210 0.000 0.000 0.425 289 D N 4.059 124.504 120.400 0.074 0.000 2.317 289 D HA 0.100 4.445 4.640 -0.492 0.000 0.234 289 D C 0.813 177.216 176.300 0.172 0.000 1.112 289 D CA -0.288 53.764 54.000 0.087 0.000 0.840 289 D CB 1.127 41.951 40.800 0.040 0.000 1.078 289 D HN 0.554 8.924 8.370 0.000 0.000 0.486 290 W N 4.360 125.653 121.300 -0.011 0.000 2.338 290 W HA -0.254 4.106 4.660 -0.500 0.000 0.304 290 W C 0.993 177.498 176.519 -0.023 0.000 1.212 290 W CA 0.392 57.740 57.345 0.005 0.000 1.264 290 W CB 0.075 29.483 29.460 -0.087 0.000 1.142 290 W HN 0.448 8.628 8.180 0.000 0.000 0.512 291 I N 1.392 121.878 120.570 -0.141 0.000 2.118 291 I HA -0.340 3.535 4.170 -0.492 0.000 0.241 291 I C 2.295 178.252 176.117 -0.267 0.000 1.070 291 I CA 1.976 63.132 61.300 -0.241 0.000 1.327 291 I CB -1.322 36.619 38.000 -0.098 0.000 1.034 291 I HN -0.106 8.104 8.210 0.000 0.000 0.405 292 E N -0.726 119.394 120.200 -0.133 0.000 2.046 292 E HA -0.208 3.847 4.350 -0.492 0.000 0.190 292 E C 2.195 178.743 176.600 -0.086 0.000 0.982 292 E CA 1.043 57.391 56.400 -0.087 0.000 0.800 292 E CB -0.547 29.147 29.700 -0.011 0.000 0.756 292 E HN 0.459 8.819 8.360 0.000 0.000 0.449 293 Y N 1.620 121.794 120.300 -0.211 0.000 2.165 293 Y HA -0.220 4.037 4.550 -0.489 0.000 0.286 293 Y C 2.142 177.743 175.900 -0.498 0.000 1.155 293 Y CA 1.820 59.795 58.100 -0.209 0.000 1.164 293 Y CB -0.220 38.272 38.460 0.052 0.000 0.978 293 Y HN -0.030 8.250 8.280 0.000 0.000 0.513 294 K N -0.339 119.451 120.400 -1.017 0.000 2.063 294 K HA -0.204 3.821 4.320 -0.492 0.000 0.208 294 K C 2.241 178.403 176.600 -0.730 0.000 1.048 294 K CA 1.165 56.638 56.287 -1.356 0.000 0.928 294 K CB -0.001 31.469 32.500 -1.717 0.000 0.713 294 K HN 0.163 8.413 8.250 0.000 0.000 0.442 295 R N 0.087 120.295 120.500 -0.488 0.000 2.094 295 R HA -0.114 3.931 4.340 -0.492 0.000 0.239 295 R C 2.337 178.496 176.300 -0.234 0.000 1.137 295 R CA 2.033 57.962 56.100 -0.284 0.000 0.943 295 R CB -1.267 28.918 30.300 -0.192 0.000 0.850 295 R HN 0.329 8.599 8.270 0.000 0.000 0.433 296 T N 2.502 116.913 114.554 -0.238 0.000 2.665 296 T HA -0.133 3.922 4.350 -0.492 0.000 0.268 296 T C 2.142 176.708 174.700 -0.224 0.000 1.035 296 T CA 1.299 63.289 62.100 -0.184 0.000 1.151 296 T CB -0.364 68.420 68.868 -0.139 0.000 0.862 296 T HN 0.136 8.376 8.240 0.000 0.000 0.438 297 L N 0.484 121.481 121.223 -0.377 0.000 2.012 297 L HA -0.181 3.864 4.340 -0.492 0.000 0.210 297 L C 2.757 179.565 176.870 -0.103 0.000 1.073 297 L CA 1.635 56.305 54.840 -0.283 0.000 0.748 297 L CB -0.501 41.348 42.059 -0.351 0.000 0.891 297 L HN 0.276 8.506 8.230 0.000 0.000 0.431 298 K N 0.533 120.872 120.400 -0.101 0.000 2.032 298 K HA -0.225 3.800 4.320 -0.492 0.000 0.209 298 K C 2.066 178.663 176.600 -0.006 0.000 1.048 298 K CA 1.948 58.236 56.287 0.001 0.000 0.927 298 K CB -0.214 32.270 32.500 -0.027 0.000 0.712 298 K HN 0.407 8.657 8.250 0.000 0.000 0.441 299 K N 0.489 120.864 120.400 -0.042 0.000 2.211 299 K HA -0.002 4.023 4.320 -0.492 0.000 0.203 299 K C 1.764 178.366 176.600 0.002 0.000 1.050 299 K CA 1.373 57.651 56.287 -0.016 0.000 0.945 299 K CB -0.043 32.440 32.500 -0.030 0.000 0.732 299 K HN 0.030 8.280 8.250 0.000 0.000 0.451 300 A N 1.572 124.378 122.820 -0.023 0.000 2.259 300 A HA 0.036 4.061 4.320 -0.492 0.000 0.208 300 A C -0.178 177.419 177.584 0.022 0.000 1.201 300 A CA 0.296 52.325 52.037 -0.013 0.000 0.824 300 A CB -0.479 18.481 19.000 -0.068 0.000 0.838 300 A HN 0.501 8.651 8.150 0.000 0.000 0.485 301 E N -1.686 118.549 120.200 0.058 0.000 2.791 301 E HA -0.276 3.779 4.350 -0.492 0.000 0.271 301 E C 0.368 177.064 176.600 0.160 0.000 1.044 301 E CA 1.009 57.489 56.400 0.135 0.000 0.814 301 E CB -1.761 28.075 29.700 0.226 0.000 1.400 301 E HN 0.850 9.210 8.360 0.000 0.000 0.423 302 Q N -0.710 119.100 119.800 0.016 0.000 2.217 302 Q HA 0.118 4.163 4.340 -0.492 0.000 0.217 302 Q C -0.113 175.930 176.000 0.071 0.000 0.844 302 Q CA -0.087 55.675 55.803 -0.067 0.000 0.957 302 Q CB 0.789 29.361 28.738 -0.278 0.000 1.127 302 Q HN 0.392 8.662 8.270 0.000 0.000 0.503 303 W N 2.155 123.383 121.300 -0.120 0.000 2.481 303 W HA 0.358 4.746 4.660 -0.454 0.000 0.285 303 W C -1.705 174.757 176.519 -0.095 0.000 1.017 303 W CA -0.495 56.795 57.345 -0.092 0.000 1.499 303 W CB 0.589 30.000 29.460 -0.082 0.000 1.381 303 W HN -0.050 8.130 8.180 0.000 0.000 0.390 304 N N 4.033 122.531 118.700 -0.337 0.000 2.425 304 N HA 0.372 4.817 4.740 -0.492 0.000 0.268 304 N C -0.865 174.550 175.510 -0.158 0.000 0.991 304 N CA -0.230 52.682 53.050 -0.229 0.000 0.931 304 N CB 2.716 40.950 38.487 -0.421 0.000 1.130 304 N HN -0.023 8.357 8.380 0.000 0.000 0.493 305 V N 1.498 121.401 119.914 -0.019 0.000 2.604 305 V HA 0.377 4.202 4.120 -0.492 0.000 0.305 305 V C -0.035 176.104 176.094 0.076 0.000 1.043 305 V CA -0.672 61.640 62.300 0.019 0.000 0.888 305 V CB 2.220 34.074 31.823 0.051 0.000 0.995 305 V HN 0.644 8.834 8.190 0.000 0.000 0.429 306 E N 2.924 123.173 120.200 0.080 0.000 2.761 306 E HA 0.508 4.563 4.350 -0.492 0.000 0.266 306 E C -1.204 175.445 176.600 0.082 0.000 1.097 306 E CA -0.246 56.228 56.400 0.123 0.000 0.773 306 E CB 1.713 31.515 29.700 0.169 0.000 1.453 306 E HN 0.678 9.038 8.360 0.000 0.000 0.388 307 V N 0.540 120.474 119.914 0.033 0.000 2.815 307 V HA 0.887 4.712 4.120 -0.492 0.000 0.314 307 V C -0.582 175.527 176.094 0.025 0.000 1.064 307 V CA -0.657 61.553 62.300 -0.151 0.000 0.952 307 V CB 0.802 32.524 31.823 -0.169 0.000 1.020 307 V HN 0.567 8.757 8.190 0.000 0.000 0.439 308 W N 0.000 121.297 121.300 -0.006 0.000 2.388 308 W HA 0.000 4.319 4.660 -0.569 0.000 0.303 308 W CA 0.000 57.335 57.345 -0.016 0.000 1.226 308 W CB 0.000 29.437 29.460 -0.038 0.000 1.126 308 W HN 0.000 8.180 8.180 0.000 0.000 0.535