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 1pma_1_G DATA FIRST_RESID 13 DATA SEQUENCE TVFSPDGRLF QVEYAREAVK KGSTALGMKF ANGVLLISDK KVRSRLIEQN DATA SEQUENCE SIEKIQLIDD YVAAVTSGLV ADARVLVDFA RISAQQEKVT YGSLVNIENL DATA SEQUENCE VKRVADQMQQ YTQYGGVRPY GVSLIFAGID QIGPRLFDCD PAGTINEYKA DATA SEQUENCE TAIGSGKDAV VSFLEREYKE NLPEKEAVTL GIKALKSSLE EGEELKAPEI DATA SEQUENCE ASITVGNKYR IYDQEEVKKF L 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 13 T HA 0.000 4.350 4.350 0.000 0.000 0.228 13 T C 0.000 174.592 174.700 -0.180 0.000 1.109 13 T CA 0.000 62.036 62.100 -0.106 0.000 1.349 13 T CB 0.000 68.797 68.868 -0.118 0.000 0.612 14 V N -0.644 119.154 119.914 -0.194 0.000 3.202 14 V HA 0.520 4.640 4.120 0.000 0.000 0.306 14 V C -1.484 174.451 176.094 -0.266 0.000 1.283 14 V CA -2.139 60.005 62.300 -0.260 0.000 1.065 14 V CB 2.653 34.420 31.823 -0.093 0.000 1.079 14 V HN -0.043 8.064 8.190 -0.138 0.000 0.448 15 F N 0.133 120.058 119.950 -0.041 0.000 2.412 15 F HA 0.368 4.895 4.527 0.000 0.000 0.348 15 F C 0.271 176.050 175.800 -0.035 0.000 1.102 15 F CA -0.612 57.349 58.000 -0.065 0.000 1.196 15 F CB 0.801 39.764 39.000 -0.061 0.000 1.144 15 F HN -0.001 8.248 8.300 -0.085 0.000 0.541 16 S N 3.774 119.558 115.700 0.140 0.000 2.614 16 S HA 0.336 4.806 4.470 0.000 0.000 0.265 16 S C -0.666 173.994 174.600 0.100 0.000 1.303 16 S CA -1.508 56.772 58.200 0.132 0.000 1.000 16 S CB -0.237 62.983 63.200 0.033 0.000 0.935 16 S HN 0.484 8.840 8.310 0.076 0.000 0.551 17 P HA -0.079 4.341 4.420 0.000 0.000 0.234 17 P C -1.498 175.814 177.300 0.020 0.000 1.162 17 P CA 1.681 64.816 63.100 0.058 0.000 0.759 17 P CB -0.481 31.260 31.700 0.068 0.000 0.813 18 D N -5.379 115.026 120.400 0.008 0.000 2.440 18 D HA -0.049 4.591 4.640 0.000 0.000 0.216 18 D C 0.674 176.927 176.300 -0.078 0.000 1.150 18 D CA -0.611 53.372 54.000 -0.029 0.000 0.832 18 D CB -0.409 40.386 40.800 -0.009 0.000 0.992 18 D HN -0.740 7.545 8.370 0.021 0.098 0.502 19 G N 1.315 110.062 108.800 -0.088 0.000 2.326 19 G HA2 -0.481 3.479 3.960 0.000 0.000 0.286 19 G HA3 -0.481 3.479 3.960 0.000 0.000 0.286 19 G C -1.274 173.597 174.900 -0.048 0.000 1.096 19 G CA 0.270 45.279 45.100 -0.152 0.000 1.003 19 G HN 0.274 8.372 8.290 -0.047 0.164 0.503 20 R N -1.908 118.573 120.500 -0.031 0.000 2.725 20 R HA 0.447 4.787 4.340 0.000 0.000 0.277 20 R C -1.762 174.403 176.300 -0.224 0.000 0.987 20 R CA -2.073 53.919 56.100 -0.181 0.000 0.901 20 R CB 3.777 33.780 30.300 -0.496 0.000 1.207 20 R HN -0.440 7.871 8.270 -0.046 -0.069 0.463 21 L N 3.208 124.302 121.223 -0.214 0.000 2.288 21 L HA 0.284 4.624 4.340 0.000 0.000 0.283 21 L C 0.471 177.169 176.870 -0.288 0.000 1.072 21 L CA -2.367 52.328 54.840 -0.242 0.000 0.862 21 L CB -1.943 39.998 42.059 -0.196 0.000 1.245 21 L HN 0.795 8.929 8.230 -0.160 0.000 0.432 22 F N 5.355 125.159 119.950 -0.243 0.000 2.126 22 F HA -0.490 4.037 4.527 0.000 0.000 0.299 22 F C 1.708 177.037 175.800 -0.785 0.000 1.096 22 F CA 4.522 62.215 58.000 -0.510 0.000 1.255 22 F CB -0.252 38.445 39.000 -0.506 0.000 0.997 22 F HN -0.090 8.083 8.300 -0.211 0.000 0.479 23 Q N -1.899 117.728 119.800 -0.289 0.000 2.096 23 Q HA -0.348 3.992 4.340 0.000 0.000 0.204 23 Q C 2.614 178.565 176.000 -0.083 0.000 0.982 23 Q CA 3.291 58.989 55.803 -0.174 0.000 0.850 23 Q CB -0.797 27.913 28.738 -0.046 0.000 0.901 23 Q HN 0.128 8.302 8.270 -0.161 0.000 0.422 24 V N 0.586 120.450 119.914 -0.083 0.000 2.490 24 V HA -0.352 3.768 4.120 0.000 0.000 0.250 24 V C 1.970 178.067 176.094 0.004 0.000 1.061 24 V CA 3.285 65.572 62.300 -0.022 0.000 1.064 24 V CB -0.508 31.297 31.823 -0.030 0.000 0.670 24 V HN -0.520 7.592 8.190 -0.120 0.007 0.461 25 E N 0.580 120.754 120.200 -0.043 0.000 2.017 25 E HA -0.335 4.015 4.350 0.000 0.000 0.193 25 E C 2.480 179.202 176.600 0.204 0.000 0.997 25 E CA 3.008 59.440 56.400 0.054 0.000 0.804 25 E CB -0.703 29.036 29.700 0.065 0.000 0.757 25 E HN -0.429 7.748 8.360 -0.131 0.105 0.448 26 Y N -1.338 119.028 120.300 0.110 0.000 2.181 26 Y HA -0.386 4.164 4.550 0.000 0.000 0.284 26 Y C 2.310 178.239 175.900 0.049 0.000 1.179 26 Y CA 0.763 58.906 58.100 0.072 0.000 1.179 26 Y CB -1.601 36.897 38.460 0.063 0.000 0.973 26 Y HN 0.265 8.472 8.280 -0.122 0.000 0.519 27 A N -1.975 120.968 122.820 0.205 0.000 1.877 27 A HA -0.362 3.958 4.320 0.000 0.000 0.216 27 A C 2.134 179.777 177.584 0.099 0.000 1.186 27 A CA 2.868 54.978 52.037 0.121 0.000 0.620 27 A CB -0.952 18.101 19.000 0.088 0.000 0.822 27 A HN 0.140 8.310 8.150 0.182 0.089 0.443 28 R N -1.556 119.003 120.500 0.099 0.000 2.103 28 R HA -0.420 3.920 4.340 0.000 0.000 0.242 28 R C 2.703 179.048 176.300 0.076 0.000 1.142 28 R CA 3.330 59.477 56.100 0.079 0.000 0.960 28 R CB -0.480 29.867 30.300 0.078 0.000 0.858 28 R HN -0.290 7.964 8.270 0.105 0.079 0.439 29 E N -1.524 118.736 120.200 0.100 0.000 2.070 29 E HA -0.330 4.020 4.350 0.000 0.000 0.197 29 E C 2.075 178.703 176.600 0.048 0.000 1.004 29 E CA 2.808 59.254 56.400 0.075 0.000 0.805 29 E CB -0.754 28.995 29.700 0.082 0.000 0.744 29 E HN -0.427 7.932 8.360 0.139 0.085 0.451 30 A N -1.919 120.932 122.820 0.050 0.000 1.986 30 A HA -0.185 4.135 4.320 0.000 0.000 0.220 30 A C 1.889 179.486 177.584 0.022 0.000 1.171 30 A CA 2.574 54.629 52.037 0.031 0.000 0.640 30 A CB -0.606 18.415 19.000 0.034 0.000 0.811 30 A HN -0.359 7.760 8.150 0.071 0.074 0.451 31 V N -3.997 115.933 119.914 0.028 0.000 2.548 31 V HA -0.181 3.939 4.120 0.000 0.000 0.249 31 V C 1.550 177.649 176.094 0.008 0.000 1.055 31 V CA 2.973 65.282 62.300 0.015 0.000 1.065 31 V CB -0.160 31.674 31.823 0.018 0.000 0.681 31 V HN -0.351 7.725 8.190 0.040 0.138 0.462 32 K N 0.141 120.550 120.400 0.016 0.000 2.147 32 K HA -0.339 3.981 4.320 0.000 0.000 0.205 32 K C 2.091 178.693 176.600 0.005 0.000 1.049 32 K CA 3.320 59.614 56.287 0.012 0.000 0.936 32 K CB -0.356 32.156 32.500 0.021 0.000 0.722 32 K HN -0.418 7.750 8.250 0.026 0.098 0.446 33 K N -3.245 117.158 120.400 0.005 0.000 2.505 33 K HA -0.117 4.203 4.320 0.000 0.000 0.192 33 K C 0.386 176.983 176.600 -0.005 0.000 1.025 33 K CA -0.130 56.157 56.287 0.000 0.000 1.086 33 K CB -0.434 32.067 32.500 0.001 0.000 0.840 33 K HN -0.754 7.479 8.250 0.010 0.024 0.514 34 G N -0.308 108.488 108.800 -0.007 0.000 2.535 34 G HA2 0.135 4.095 3.960 0.000 0.000 0.303 34 G HA3 0.135 4.095 3.960 0.000 0.000 0.303 34 G C -1.770 173.119 174.900 -0.018 0.000 1.237 34 G CA -2.163 42.928 45.100 -0.013 0.000 0.986 34 G HN -0.630 7.458 8.290 -0.005 0.199 0.494 35 S N -2.072 113.613 115.700 -0.024 0.000 2.589 35 S HA -0.060 4.410 4.470 0.000 0.000 0.265 35 S C -0.076 174.503 174.600 -0.036 0.000 1.342 35 S CA 0.323 58.506 58.200 -0.028 0.000 1.005 35 S CB 0.865 64.046 63.200 -0.032 0.000 0.909 35 S HN 0.157 8.452 8.310 -0.025 0.000 0.555 36 T N 2.593 117.124 114.554 -0.038 0.000 2.837 36 T HA 0.529 4.879 4.350 0.000 0.000 0.285 36 T C -2.141 172.523 174.700 -0.061 0.000 0.984 36 T CA -0.734 61.338 62.100 -0.046 0.000 1.049 36 T CB 1.141 69.986 68.868 -0.038 0.000 0.947 36 T HN 0.218 8.437 8.240 -0.035 0.000 0.472 37 A N 6.109 128.885 122.820 -0.074 0.000 2.612 37 A HA 1.192 5.512 4.320 0.000 0.000 0.293 37 A C -3.151 174.371 177.584 -0.103 0.000 1.075 37 A CA -0.835 51.149 52.037 -0.088 0.000 0.680 37 A CB 3.397 22.343 19.000 -0.091 0.000 1.279 37 A HN 1.030 9.135 8.150 -0.074 0.000 0.411 38 L N -5.723 115.435 121.223 -0.109 0.000 2.654 38 L HA 0.999 5.339 4.340 0.000 0.000 0.257 38 L C -1.898 174.910 176.870 -0.104 0.000 1.093 38 L CA -1.623 53.144 54.840 -0.121 0.000 0.903 38 L CB 3.234 45.219 42.059 -0.122 0.000 1.520 38 L HN 1.119 9.178 8.230 -0.105 0.109 0.402 39 G N -4.734 104.004 108.800 -0.104 0.000 2.673 39 G HA2 0.815 4.775 3.960 0.000 0.000 0.292 39 G HA3 0.815 4.775 3.960 0.000 0.000 0.292 39 G C -3.318 171.548 174.900 -0.057 0.000 1.450 39 G CA 0.404 45.469 45.100 -0.058 0.000 0.837 39 G HN 0.509 8.719 8.290 -0.134 0.000 0.505 40 M N -4.118 115.488 119.600 0.010 0.000 2.471 40 M HA 0.684 5.164 4.480 0.000 0.000 0.284 40 M C -2.217 174.142 176.300 0.099 0.000 1.203 40 M CA -0.192 55.127 55.300 0.033 0.000 0.915 40 M CB 4.204 36.873 32.600 0.116 0.000 1.734 40 M HN 0.161 8.478 8.290 0.046 0.000 0.485 41 K N 0.163 120.604 120.400 0.068 0.000 2.202 41 K HA 0.599 4.919 4.320 0.000 0.000 0.264 41 K C -0.357 176.359 176.600 0.193 0.000 1.010 41 K CA 1.007 57.297 56.287 0.006 0.000 0.940 41 K CB 1.034 33.534 32.500 -0.001 0.000 0.983 41 K HN 0.487 8.754 8.250 0.028 0.000 0.475 42 F N -2.188 117.822 119.950 0.100 0.000 3.084 42 F HA 0.604 5.131 4.527 0.000 0.000 0.336 42 F C 0.137 175.966 175.800 0.048 0.000 1.230 42 F CA -2.342 55.706 58.000 0.079 0.000 0.993 42 F CB 0.497 39.531 39.000 0.056 0.000 1.496 42 F HN 0.359 8.368 8.300 -0.487 0.000 0.522 43 A N 1.598 124.818 122.820 0.666 0.000 1.997 43 A HA -0.463 3.857 4.320 0.000 0.000 0.237 43 A C 0.425 178.143 177.584 0.225 0.000 1.807 43 A CA 2.977 55.254 52.037 0.400 0.000 0.863 43 A CB -0.747 18.480 19.000 0.379 0.000 0.821 43 A HN 0.318 8.768 8.150 0.660 0.096 0.500 44 N N -1.409 117.429 118.700 0.230 0.000 2.451 44 N HA 0.179 4.919 4.740 0.000 0.000 0.271 44 N C -1.581 173.841 175.510 -0.148 0.000 1.410 44 N CA -1.094 51.975 53.050 0.032 0.000 0.884 44 N CB 1.095 39.631 38.487 0.082 0.000 1.332 44 N HN 0.116 8.813 8.380 0.529 0.000 0.498 45 G N -1.771 106.668 108.800 -0.603 0.000 2.677 45 G HA2 0.643 4.603 3.960 0.000 0.000 0.283 45 G HA3 0.643 4.603 3.960 0.000 0.000 0.283 45 G C -3.725 170.456 174.900 -1.198 0.000 1.221 45 G CA 0.344 44.982 45.100 -0.770 0.000 0.851 45 G HN -0.871 6.922 8.290 -0.828 0.000 0.504 46 V N -1.079 118.304 119.914 -0.884 0.000 3.048 46 V HA 0.974 5.094 4.120 0.000 0.000 0.303 46 V C -2.501 173.568 176.094 -0.042 0.000 1.214 46 V CA -1.669 60.348 62.300 -0.471 0.000 0.984 46 V CB 3.837 35.548 31.823 -0.186 0.000 1.054 46 V HN 0.170 7.992 8.190 -0.615 0.000 0.430 47 L N 2.431 123.757 121.223 0.172 0.000 2.333 47 L HA 1.205 5.545 4.340 0.000 0.000 0.263 47 L C -2.632 174.299 176.870 0.102 0.000 1.014 47 L CA -1.779 53.193 54.840 0.220 0.000 0.820 47 L CB 3.761 45.962 42.059 0.237 0.000 1.352 47 L HN 0.025 8.345 8.230 0.149 0.000 0.421 48 L N -0.313 120.941 121.223 0.051 0.000 2.370 48 L HA 1.022 5.362 4.340 0.000 0.000 0.266 48 L C -2.194 174.619 176.870 -0.095 0.000 1.002 48 L CA -1.068 53.760 54.840 -0.020 0.000 0.818 48 L CB 4.815 46.864 42.059 -0.016 0.000 1.325 48 L HN 0.771 9.039 8.230 0.064 0.000 0.418 49 I N 2.962 123.468 120.570 -0.107 0.000 2.685 49 I HA 0.613 4.783 4.170 0.000 0.000 0.289 49 I C -3.277 172.775 176.117 -0.109 0.000 1.292 49 I CA -0.969 60.252 61.300 -0.133 0.000 1.050 49 I CB 4.119 42.019 38.000 -0.166 0.000 1.301 49 I HN 0.974 9.127 8.210 -0.094 0.000 0.425 50 S N 7.262 122.903 115.700 -0.099 0.000 2.548 50 S HA 0.616 5.086 4.470 0.000 0.000 0.286 50 S C -2.288 172.270 174.600 -0.069 0.000 1.098 50 S CA -1.788 56.362 58.200 -0.082 0.000 0.930 50 S CB 2.616 65.769 63.200 -0.078 0.000 1.070 50 S HN 0.961 9.210 8.310 -0.103 0.000 0.480 51 D N 4.608 124.973 120.400 -0.058 0.000 2.352 51 D HA 0.115 4.755 4.640 0.000 0.000 0.245 51 D C -1.849 174.429 176.300 -0.036 0.000 1.224 51 D CA -0.938 53.036 54.000 -0.044 0.000 0.879 51 D CB 0.865 41.642 40.800 -0.038 0.000 1.057 51 D HN 0.256 8.590 8.370 -0.059 0.000 0.491 52 K N 6.511 126.892 120.400 -0.031 0.000 2.183 52 K HA 0.047 4.367 4.320 0.000 0.000 0.272 52 K C -1.313 175.277 176.600 -0.017 0.000 1.113 52 K CA -0.774 55.499 56.287 -0.025 0.000 0.949 52 K CB -0.021 32.467 32.500 -0.022 0.000 1.365 52 K HN -0.308 7.923 8.250 -0.032 0.000 0.420 53 K N 5.143 125.533 120.400 -0.017 0.000 2.267 53 K HA 0.102 4.422 4.320 0.000 0.000 0.282 53 K C -0.916 175.679 176.600 -0.009 0.000 1.078 53 K CA -0.558 55.722 56.287 -0.012 0.000 0.903 53 K CB 0.780 33.273 32.500 -0.012 0.000 1.111 53 K HN -0.372 7.866 8.250 -0.020 0.000 0.475 54 V N 4.358 124.268 119.914 -0.006 0.000 2.612 54 V HA 0.201 4.321 4.120 0.000 0.000 0.301 54 V C -1.086 175.006 176.094 -0.003 0.000 1.046 54 V CA -0.844 61.454 62.300 -0.005 0.000 0.946 54 V CB 1.169 32.991 31.823 -0.003 0.000 1.003 54 V HN 0.267 8.453 8.190 -0.005 0.000 0.459 55 R N 4.516 125.014 120.500 -0.003 0.000 1.776 55 R HA 0.199 4.539 4.340 0.000 0.000 0.146 55 R C -0.101 176.199 176.300 -0.001 0.000 2.057 55 R CA 0.364 56.462 56.100 -0.002 0.000 1.641 55 R CB 0.535 30.833 30.300 -0.003 0.000 1.256 55 R HN 0.176 8.443 8.270 -0.004 0.000 0.478 56 S N -1.146 114.553 115.700 -0.001 0.000 2.589 56 S HA 0.145 4.615 4.470 0.000 0.000 0.265 56 S C 1.765 176.365 174.600 -0.000 0.000 1.342 56 S CA -0.412 57.788 58.200 -0.001 0.000 1.005 56 S CB 0.658 63.857 63.200 -0.001 0.000 0.909 56 S HN -0.066 8.243 8.310 -0.002 0.000 0.555 57 R N 2.138 122.638 120.500 0.000 0.000 2.153 57 R HA -0.101 4.239 4.340 0.000 0.000 0.218 57 R C 0.803 177.104 176.300 0.001 0.000 1.072 57 R CA 1.765 57.866 56.100 0.001 0.000 0.990 57 R CB -0.161 30.139 30.300 0.001 0.000 0.889 57 R HN 0.553 8.824 8.270 0.000 0.000 0.452 58 L N -2.495 118.728 121.223 0.000 0.000 2.549 58 L HA -0.148 4.192 4.340 0.000 0.000 0.229 58 L C 0.225 177.095 176.870 0.000 0.000 1.158 58 L CA 0.559 55.399 54.840 0.000 0.000 0.842 58 L CB -0.416 41.644 42.059 -0.000 0.000 0.952 58 L HN -0.324 7.868 8.230 0.000 0.038 0.452 59 I N -1.316 119.254 120.570 -0.000 0.000 2.638 59 I HA -0.073 4.097 4.170 0.000 0.000 0.286 59 I C 1.225 177.342 176.117 -0.000 0.000 1.088 59 I CA -0.773 60.527 61.300 -0.001 0.000 1.397 59 I CB 0.091 38.090 38.000 -0.002 0.000 1.414 59 I HN -0.959 7.185 8.210 -0.000 0.066 0.566 60 E N 7.498 127.698 120.200 -0.000 0.000 2.452 60 E HA 0.033 4.383 4.350 0.000 0.000 0.293 60 E C -0.350 176.250 176.600 0.000 0.000 1.535 60 E CA -1.132 55.268 56.400 0.000 0.000 1.816 60 E CB -1.929 27.771 29.700 0.001 0.000 1.494 60 E HN 0.431 8.791 8.360 -0.001 0.000 0.464 61 Q N -0.535 119.266 119.800 0.001 0.000 2.478 61 Q HA -0.586 3.754 4.340 0.000 0.000 0.462 61 Q C 0.748 176.748 176.000 -0.000 0.000 0.601 61 Q CA 2.334 58.138 55.803 0.001 0.000 0.953 61 Q CB -2.683 26.057 28.738 0.004 0.000 2.612 61 Q HN -0.086 8.089 8.270 0.001 0.096 1.022 62 N N 1.993 120.694 118.700 0.002 0.000 2.165 62 N HA -0.378 4.362 4.740 0.000 0.000 0.198 62 N C 1.719 177.227 175.510 -0.003 0.000 0.999 62 N CA 2.274 55.324 53.050 0.000 0.000 0.893 62 N CB -0.851 37.638 38.487 0.004 0.000 1.025 62 N HN 0.264 8.647 8.380 0.004 0.000 0.456 63 S N 0.538 116.237 115.700 -0.002 0.000 2.441 63 S HA -0.320 4.150 4.470 0.000 0.000 0.242 63 S C 1.250 175.846 174.600 -0.007 0.000 1.018 63 S CA 2.914 61.112 58.200 -0.004 0.000 0.988 63 S CB 0.020 63.219 63.200 -0.002 0.000 0.778 63 S HN -0.234 8.043 8.310 -0.001 0.033 0.498 64 I N 1.390 121.955 120.570 -0.008 0.000 2.664 64 I HA -0.040 4.130 4.170 0.000 0.000 0.291 64 I C -2.215 173.891 176.117 -0.017 0.000 1.120 64 I CA -1.573 59.719 61.300 -0.012 0.000 1.503 64 I CB -0.499 37.495 38.000 -0.011 0.000 1.506 64 I HN -0.161 7.895 8.210 -0.006 0.151 0.621 65 E N 4.045 124.233 120.200 -0.019 0.000 2.299 65 E HA -0.108 4.242 4.350 0.000 0.000 0.272 65 E C -0.897 175.681 176.600 -0.037 0.000 1.043 65 E CA 0.090 56.473 56.400 -0.028 0.000 0.895 65 E CB -0.045 29.639 29.700 -0.027 0.000 1.011 65 E HN -0.547 7.726 8.360 -0.016 0.078 0.432 66 K N 3.625 123.998 120.400 -0.046 0.000 2.308 66 K HA 0.049 4.369 4.320 0.000 0.000 0.197 66 K C 0.157 176.712 176.600 -0.075 0.000 1.049 66 K CA 0.767 57.021 56.287 -0.056 0.000 0.991 66 K CB 1.324 33.791 32.500 -0.055 0.000 0.836 66 K HN 0.112 8.873 8.250 -0.044 -0.538 0.500 67 I N 0.084 120.605 120.570 -0.082 0.000 2.337 67 I HA -0.069 4.101 4.170 0.000 0.000 0.291 67 I C -0.749 175.302 176.117 -0.109 0.000 1.046 67 I CA -0.015 61.220 61.300 -0.110 0.000 1.324 67 I CB -0.143 37.786 38.000 -0.119 0.000 1.409 67 I HN -0.593 7.891 8.210 -0.071 -0.316 0.494 68 Q N 7.383 127.114 119.800 -0.116 0.000 2.377 68 Q HA 0.382 4.722 4.340 0.000 0.000 0.271 68 Q C -1.609 174.324 176.000 -0.112 0.000 1.077 68 Q CA -2.153 53.594 55.803 -0.092 0.000 0.820 68 Q CB 4.022 32.727 28.738 -0.055 0.000 1.347 68 Q HN 0.428 8.623 8.270 -0.126 0.000 0.444 69 L N 2.007 123.175 121.223 -0.093 0.000 2.326 69 L HA 0.348 4.688 4.340 0.000 0.000 0.278 69 L C 0.107 176.976 176.870 -0.001 0.000 1.092 69 L CA -0.031 54.760 54.840 -0.082 0.000 0.810 69 L CB 0.728 42.744 42.059 -0.071 0.000 1.153 69 L HN 0.590 8.778 8.230 -0.071 0.000 0.439 70 I N 2.337 122.933 120.570 0.044 0.000 3.265 70 I HA -0.068 4.102 4.170 0.000 0.000 0.282 70 I C -0.113 176.054 176.117 0.082 0.000 1.207 70 I CA 1.312 62.661 61.300 0.082 0.000 1.449 70 I CB 1.057 39.139 38.000 0.136 0.000 1.121 70 I HN 0.868 9.001 8.210 0.044 0.104 0.442 71 D N -2.175 118.289 120.400 0.107 0.000 2.720 71 D HA 0.051 4.691 4.640 0.000 0.000 0.239 71 D C -1.527 174.886 176.300 0.188 0.000 1.218 71 D CA -0.225 53.859 54.000 0.140 0.000 0.748 71 D CB 2.138 43.032 40.800 0.157 0.000 1.387 71 D HN -0.579 7.856 8.370 0.108 0.000 0.438 72 D N 1.381 121.894 120.400 0.189 0.000 2.322 72 D HA -0.318 4.322 4.640 0.000 0.000 0.210 72 D C 0.916 177.215 176.300 -0.001 0.000 0.983 72 D CA 3.039 57.091 54.000 0.086 0.000 0.902 72 D CB -0.053 40.750 40.800 0.005 0.000 0.905 72 D HN 0.489 8.970 8.370 0.185 0.000 0.483 73 Y N -5.283 115.133 120.300 0.193 0.000 2.500 73 Y HA 0.143 4.693 4.550 0.000 0.000 0.246 73 Y C -1.549 174.510 175.900 0.265 0.000 1.146 73 Y CA -0.796 57.409 58.100 0.174 0.000 1.230 73 Y CB 0.244 38.748 38.460 0.074 0.000 1.214 73 Y HN -0.601 8.271 8.280 0.482 -0.302 0.526 74 V N -1.538 118.647 119.914 0.451 0.000 2.777 74 V HA 0.679 4.799 4.120 0.000 0.000 0.306 74 V C -2.727 173.517 176.094 0.249 0.000 1.112 74 V CA -1.790 60.753 62.300 0.405 0.000 0.917 74 V CB 3.641 35.623 31.823 0.265 0.000 1.018 74 V HN 0.060 8.362 8.190 0.386 0.120 0.426 75 A N 7.093 130.018 122.820 0.175 0.000 2.437 75 A HA 1.185 5.505 4.320 0.000 0.000 0.292 75 A C -2.872 174.730 177.584 0.030 0.000 1.173 75 A CA -2.414 49.565 52.037 -0.097 0.000 0.785 75 A CB 4.130 22.767 19.000 -0.605 0.000 1.351 75 A HN 1.147 9.513 8.150 0.359 0.000 0.431 76 A N -2.780 119.995 122.820 -0.075 0.000 2.606 76 A HA 0.936 5.256 4.320 0.000 0.000 0.293 76 A C -2.987 174.473 177.584 -0.206 0.000 1.082 76 A CA -0.840 51.082 52.037 -0.192 0.000 0.685 76 A CB 3.687 22.472 19.000 -0.358 0.000 1.284 76 A HN 0.442 8.524 8.150 -0.113 0.000 0.408 77 V N -0.383 119.384 119.914 -0.245 0.000 3.040 77 V HA 0.818 4.938 4.120 0.000 0.000 0.312 77 V C -2.545 173.428 176.094 -0.202 0.000 1.115 77 V CA -1.987 60.203 62.300 -0.182 0.000 0.998 77 V CB 4.209 35.946 31.823 -0.142 0.000 1.042 77 V HN 0.221 8.229 8.190 -0.304 0.000 0.433 78 T N 6.185 120.652 114.554 -0.144 0.000 2.865 78 T HA 0.713 5.063 4.350 0.000 0.000 0.294 78 T C -2.093 172.557 174.700 -0.084 0.000 1.119 78 T CA -1.541 60.483 62.100 -0.125 0.000 1.007 78 T CB 1.756 70.559 68.868 -0.109 0.000 1.225 78 T HN 0.139 8.308 8.240 -0.118 0.000 0.515 79 S N 2.072 117.732 115.700 -0.066 0.000 2.566 79 S HA 0.397 4.867 4.470 0.000 0.000 0.273 79 S C -1.294 173.291 174.600 -0.024 0.000 1.157 79 S CA 0.112 58.286 58.200 -0.044 0.000 0.938 79 S CB 1.917 65.089 63.200 -0.047 0.000 1.087 79 S HN 0.721 8.989 8.310 -0.070 0.000 0.474 80 G N 4.307 113.098 108.800 -0.015 0.000 2.250 80 G HA2 -0.107 3.853 3.960 0.000 0.000 0.196 80 G HA3 -0.107 3.853 3.960 0.000 0.000 0.196 80 G C -2.083 172.816 174.900 -0.000 0.000 1.308 80 G CA -0.353 44.746 45.100 -0.002 0.000 1.207 80 G HN 0.015 8.295 8.290 -0.018 0.000 0.505 81 L N 3.241 124.468 121.223 0.007 0.000 2.597 81 L HA 0.038 4.378 4.340 0.000 0.000 0.271 81 L C 1.423 178.296 176.870 0.005 0.000 1.157 81 L CA 0.248 55.090 54.840 0.004 0.000 0.928 81 L CB -1.756 40.305 42.059 0.003 0.000 1.216 81 L HN 0.218 8.457 8.230 0.013 0.000 0.481 82 V N 9.058 128.971 119.914 -0.001 0.000 2.250 82 V HA -0.468 3.652 4.120 0.000 0.000 0.250 82 V C 1.272 177.370 176.094 0.007 0.000 1.060 82 V CA 4.043 66.342 62.300 -0.001 0.000 1.030 82 V CB -0.151 31.670 31.823 -0.004 0.000 0.643 82 V HN 0.588 8.776 8.190 -0.003 0.000 0.445 83 A N -2.055 120.770 122.820 0.007 0.000 1.873 83 A HA -0.334 3.986 4.320 0.000 0.000 0.218 83 A C 1.768 179.370 177.584 0.030 0.000 1.193 83 A CA 3.458 55.502 52.037 0.013 0.000 0.629 83 A CB -0.951 18.050 19.000 0.002 0.000 0.826 83 A HN 0.348 8.499 8.150 0.002 0.000 0.447 84 D N -0.360 120.058 120.400 0.030 0.000 2.133 84 D HA -0.362 4.278 4.640 0.000 0.000 0.195 84 D C 2.026 178.393 176.300 0.112 0.000 0.997 84 D CA 3.163 57.213 54.000 0.083 0.000 0.840 84 D CB -0.619 40.220 40.800 0.065 0.000 0.947 84 D HN -0.243 8.134 8.370 0.012 0.000 0.452 85 A N -0.274 122.578 122.820 0.054 0.000 1.858 85 A HA -0.305 4.015 4.320 0.000 0.000 0.216 85 A C 1.821 179.422 177.584 0.029 0.000 1.190 85 A CA 3.109 55.161 52.037 0.025 0.000 0.617 85 A CB -0.602 18.395 19.000 -0.004 0.000 0.827 85 A HN 0.179 8.280 8.150 0.037 0.070 0.443 86 R N -1.442 119.076 120.500 0.031 0.000 2.097 86 R HA -0.352 3.988 4.340 0.000 0.000 0.236 86 R C 1.894 178.231 176.300 0.062 0.000 1.135 86 R CA 3.381 59.503 56.100 0.036 0.000 0.934 86 R CB 0.114 30.431 30.300 0.029 0.000 0.846 86 R HN -0.298 7.988 8.270 0.026 0.000 0.431 87 V N 0.184 120.147 119.914 0.080 0.000 2.282 87 V HA -0.366 3.754 4.120 0.000 0.000 0.249 87 V C 1.712 177.880 176.094 0.122 0.000 1.057 87 V CA 3.667 66.035 62.300 0.112 0.000 1.032 87 V CB -0.656 31.252 31.823 0.141 0.000 0.645 87 V HN -0.339 7.895 8.190 0.073 0.000 0.447 88 L N -1.528 119.745 121.223 0.083 0.000 2.083 88 L HA -0.324 4.016 4.340 0.000 0.000 0.209 88 L C 1.939 178.870 176.870 0.103 0.000 1.083 88 L CA 3.215 58.056 54.840 0.001 0.000 0.752 88 L CB -0.381 41.628 42.059 -0.084 0.000 0.899 88 L HN -0.463 7.827 8.230 0.096 -0.001 0.433 89 V N 0.177 120.146 119.914 0.091 0.000 2.307 89 V HA -0.523 3.597 4.120 0.000 0.000 0.245 89 V C 2.201 178.373 176.094 0.129 0.000 1.045 89 V CA 4.603 66.968 62.300 0.108 0.000 1.024 89 V CB -1.051 30.802 31.823 0.051 0.000 0.651 89 V HN 0.340 8.465 8.190 0.064 0.104 0.449 90 D N 0.371 120.838 120.400 0.112 0.000 2.117 90 D HA -0.302 4.338 4.640 0.000 0.000 0.197 90 D C 1.935 178.298 176.300 0.104 0.000 0.987 90 D CA 3.365 57.420 54.000 0.092 0.000 0.829 90 D CB -0.385 40.461 40.800 0.077 0.000 0.961 90 D HN -0.163 8.267 8.370 0.100 0.000 0.460 91 F N 0.856 120.817 119.950 0.017 0.000 2.065 91 F HA -0.512 4.015 4.527 0.000 0.000 0.298 91 F C 0.719 176.521 175.800 0.003 0.000 1.112 91 F CA 3.765 61.769 58.000 0.006 0.000 1.212 91 F CB -0.116 38.874 39.000 -0.016 0.000 0.975 91 F HN -0.338 8.132 8.300 0.283 0.000 0.476 92 A N -1.426 121.570 122.820 0.293 0.000 1.917 92 A HA -0.445 3.875 4.320 0.000 0.000 0.219 92 A C 2.153 179.738 177.584 0.003 0.000 1.182 92 A CA 3.304 55.440 52.037 0.165 0.000 0.633 92 A CB -1.002 18.166 19.000 0.280 0.000 0.819 92 A HN -0.345 8.048 8.150 0.404 0.000 0.448 93 R N -1.239 119.276 120.500 0.024 0.000 2.082 93 R HA -0.342 3.998 4.340 0.000 0.000 0.234 93 R C 2.367 178.628 176.300 -0.066 0.000 1.136 93 R CA 3.500 59.599 56.100 -0.002 0.000 0.935 93 R CB 0.056 30.366 30.300 0.016 0.000 0.842 93 R HN -0.366 7.868 8.270 0.075 0.081 0.430 94 I N -2.741 117.757 120.570 -0.119 0.000 2.226 94 I HA -0.435 3.735 4.170 0.000 0.000 0.245 94 I C 1.329 177.314 176.117 -0.220 0.000 1.100 94 I CA 3.862 65.069 61.300 -0.156 0.000 1.374 94 I CB -0.345 37.552 38.000 -0.171 0.000 1.057 94 I HN 0.225 8.372 8.210 -0.106 0.000 0.413 95 S N 0.833 116.314 115.700 -0.364 0.000 2.374 95 S HA -0.507 3.963 4.470 0.000 0.000 0.227 95 S C 2.079 176.576 174.600 -0.172 0.000 1.037 95 S CA 3.656 61.639 58.200 -0.362 0.000 1.024 95 S CB -0.220 62.690 63.200 -0.484 0.000 0.861 95 S HN 0.414 8.341 8.310 -0.448 0.114 0.456 96 A N 0.549 123.298 122.820 -0.120 0.000 1.902 96 A HA -0.280 4.040 4.320 0.000 0.000 0.217 96 A C 2.332 179.890 177.584 -0.044 0.000 1.181 96 A CA 3.141 55.142 52.037 -0.061 0.000 0.623 96 A CB -0.901 18.084 19.000 -0.025 0.000 0.818 96 A HN 0.146 8.136 8.150 -0.124 0.086 0.443 97 Q N -1.755 118.014 119.800 -0.052 0.000 2.061 97 Q HA -0.390 3.950 4.340 0.000 0.000 0.204 97 Q C 2.754 178.725 176.000 -0.048 0.000 0.984 97 Q CA 2.644 58.423 55.803 -0.040 0.000 0.846 97 Q CB -0.795 27.918 28.738 -0.042 0.000 0.902 97 Q HN -0.346 7.820 8.270 -0.064 0.066 0.421 98 Q N -0.463 119.293 119.800 -0.074 0.000 2.045 98 Q HA -0.453 3.887 4.340 0.000 0.000 0.206 98 Q C 2.129 178.098 176.000 -0.051 0.000 0.991 98 Q CA 3.459 59.217 55.803 -0.076 0.000 0.851 98 Q CB -0.333 28.346 28.738 -0.099 0.000 0.911 98 Q HN 0.142 8.354 8.270 -0.096 0.000 0.418 99 E N -0.474 119.717 120.200 -0.016 0.000 2.070 99 E HA -0.411 3.939 4.350 0.000 0.000 0.197 99 E C 2.156 178.795 176.600 0.065 0.000 1.004 99 E CA 3.165 59.606 56.400 0.070 0.000 0.805 99 E CB -0.288 29.459 29.700 0.078 0.000 0.744 99 E HN -0.536 7.803 8.360 -0.035 0.000 0.451 100 K N -1.196 119.216 120.400 0.021 0.000 2.044 100 K HA -0.374 3.946 4.320 0.000 0.000 0.210 100 K C 2.858 179.456 176.600 -0.003 0.000 1.049 100 K CA 3.307 59.602 56.287 0.014 0.000 0.927 100 K CB -0.109 32.391 32.500 -0.000 0.000 0.713 100 K HN -0.429 7.823 8.250 0.004 0.000 0.443 101 V N -1.656 118.240 119.914 -0.030 0.000 2.626 101 V HA -0.261 3.859 4.120 0.000 0.000 0.252 101 V C 1.688 177.732 176.094 -0.083 0.000 1.067 101 V CA 2.962 65.233 62.300 -0.048 0.000 1.081 101 V CB -0.394 31.398 31.823 -0.052 0.000 0.686 101 V HN 0.293 8.465 8.190 -0.032 0.000 0.468 102 T N -0.633 113.838 114.554 -0.138 0.000 2.901 102 T HA -0.090 4.260 4.350 0.000 0.000 0.252 102 T C 1.147 175.659 174.700 -0.314 0.000 1.035 102 T CA 2.038 63.971 62.100 -0.278 0.000 1.142 102 T CB 0.447 69.049 68.868 -0.444 0.000 0.869 102 T HN -0.263 7.885 8.240 -0.112 0.024 0.442 103 Y N -0.478 119.802 120.300 -0.033 0.000 2.490 103 Y HA 0.139 4.689 4.550 0.000 0.000 0.285 103 Y C 1.272 177.153 175.900 -0.032 0.000 1.117 103 Y CA 0.785 58.866 58.100 -0.032 0.000 1.262 103 Y CB 0.765 39.203 38.460 -0.035 0.000 1.043 103 Y HN 0.120 8.370 8.280 -0.051 0.000 0.553 104 G N -2.768 106.083 108.800 0.085 0.000 2.194 104 G HA2 -0.386 3.574 3.960 0.000 0.000 0.236 104 G HA3 -0.386 3.574 3.960 0.000 0.000 0.236 104 G C -0.742 174.175 174.900 0.029 0.000 0.987 104 G CA -0.096 45.028 45.100 0.040 0.000 0.635 104 G HN -0.115 8.087 8.290 0.054 0.121 0.520 105 S N -1.448 114.282 115.700 0.049 0.000 2.558 105 S HA 0.055 4.525 4.470 0.000 0.000 0.277 105 S C -1.752 172.848 174.600 -0.001 0.000 1.143 105 S CA -0.357 57.843 58.200 -0.001 0.000 0.865 105 S CB 1.432 64.615 63.200 -0.028 0.000 1.102 105 S HN -0.437 7.872 8.310 0.109 0.067 0.454 106 L N 7.225 128.428 121.223 -0.034 0.000 2.356 106 L HA 0.242 4.582 4.340 0.000 0.000 0.282 106 L C -1.351 175.481 176.870 -0.064 0.000 1.132 106 L CA -0.703 54.114 54.840 -0.038 0.000 0.923 106 L CB -1.154 40.886 42.059 -0.032 0.000 1.278 106 L HN 0.242 8.439 8.230 -0.055 0.000 0.436 107 V N 6.492 126.360 119.914 -0.076 0.000 2.283 107 V HA -0.038 4.082 4.120 0.000 0.000 0.243 107 V C -1.161 174.891 176.094 -0.070 0.000 1.039 107 V CA 1.930 64.180 62.300 -0.083 0.000 1.016 107 V CB 0.596 32.353 31.823 -0.109 0.000 0.650 107 V HN -0.254 7.889 8.190 -0.078 0.000 0.449 108 N N -3.183 115.468 118.700 -0.081 0.000 2.531 108 N HA 0.225 4.965 4.740 0.000 0.000 0.268 108 N C 0.592 176.051 175.510 -0.085 0.000 1.023 108 N CA -1.445 51.566 53.050 -0.065 0.000 0.896 108 N CB 0.848 39.293 38.487 -0.070 0.000 1.233 108 N HN -0.597 7.723 8.380 -0.101 0.000 0.512 109 I N 6.955 127.490 120.570 -0.058 0.000 2.423 109 I HA -0.499 3.671 4.170 0.000 0.000 0.254 109 I C 0.165 176.111 176.117 -0.285 0.000 1.151 109 I CA 2.908 64.146 61.300 -0.102 0.000 1.421 109 I CB 0.266 38.274 38.000 0.013 0.000 1.079 109 I HN 0.307 8.808 8.210 -0.013 -0.298 0.431 110 E N 0.252 120.260 120.200 -0.321 0.000 2.118 110 E HA -0.487 3.863 4.350 0.000 0.000 0.195 110 E C 1.886 178.222 176.600 -0.440 0.000 0.992 110 E CA 3.581 59.599 56.400 -0.638 0.000 0.804 110 E CB -0.472 29.053 29.700 -0.291 0.000 0.741 110 E HN 0.365 8.915 8.360 -0.141 -0.275 0.458 111 N N -0.406 118.137 118.700 -0.261 0.000 2.142 111 N HA -0.253 4.487 4.740 0.000 0.000 0.186 111 N C 2.103 177.484 175.510 -0.215 0.000 1.023 111 N CA 3.091 56.024 53.050 -0.195 0.000 0.852 111 N CB 0.126 38.534 38.487 -0.133 0.000 0.998 111 N HN -0.448 7.685 8.380 -0.210 0.121 0.424 112 L N -0.093 120.982 121.223 -0.247 0.000 1.990 112 L HA -0.308 4.032 4.340 0.000 0.000 0.213 112 L C 1.480 178.116 176.870 -0.390 0.000 1.072 112 L CA 3.245 57.927 54.840 -0.264 0.000 0.755 112 L CB -0.342 41.555 42.059 -0.269 0.000 0.889 112 L HN -0.609 7.394 8.230 -0.238 0.084 0.432 113 V N -1.414 118.134 119.914 -0.611 0.000 2.407 113 V HA -0.537 3.583 4.120 0.000 0.000 0.248 113 V C 1.632 177.514 176.094 -0.352 0.000 1.055 113 V CA 3.980 65.838 62.300 -0.737 0.000 1.049 113 V CB -0.792 30.553 31.823 -0.797 0.000 0.662 113 V HN -0.456 7.372 8.190 -0.604 0.000 0.455 114 K N -0.468 119.759 120.400 -0.288 0.000 2.063 114 K HA -0.438 3.882 4.320 0.000 0.000 0.208 114 K C 1.876 178.424 176.600 -0.087 0.000 1.048 114 K CA 4.103 60.298 56.287 -0.154 0.000 0.928 114 K CB -0.436 31.985 32.500 -0.131 0.000 0.713 114 K HN -0.061 7.906 8.250 -0.356 0.069 0.442 115 R N -0.811 119.647 120.500 -0.071 0.000 2.073 115 R HA -0.276 4.064 4.340 0.000 0.000 0.234 115 R C 2.144 178.486 176.300 0.071 0.000 1.134 115 R CA 3.396 59.519 56.100 0.039 0.000 0.952 115 R CB 0.008 30.360 30.300 0.088 0.000 0.850 115 R HN -0.229 7.897 8.270 -0.117 0.074 0.433 116 V N -0.950 118.990 119.914 0.044 0.000 2.407 116 V HA -0.338 3.782 4.120 0.000 0.000 0.248 116 V C 1.239 177.240 176.094 -0.153 0.000 1.055 116 V CA 3.089 65.364 62.300 -0.042 0.000 1.049 116 V CB -0.574 31.282 31.823 0.056 0.000 0.662 116 V HN -0.414 7.757 8.190 -0.032 0.000 0.455 117 A N -0.794 121.979 122.820 -0.078 0.000 1.877 117 A HA -0.351 3.969 4.320 0.000 0.000 0.216 117 A C 1.693 179.244 177.584 -0.054 0.000 1.186 117 A CA 3.589 55.596 52.037 -0.050 0.000 0.620 117 A CB -0.802 18.192 19.000 -0.011 0.000 0.822 117 A HN 0.388 8.406 8.150 -0.077 0.085 0.443 118 D N -1.286 119.092 120.400 -0.037 0.000 2.182 118 D HA -0.336 4.304 4.640 0.000 0.000 0.201 118 D C 2.597 178.892 176.300 -0.008 0.000 0.986 118 D CA 3.403 57.403 54.000 -0.001 0.000 0.847 118 D CB -0.656 40.154 40.800 0.018 0.000 0.942 118 D HN 0.038 8.386 8.370 -0.036 0.000 0.467 119 Q N -0.477 119.252 119.800 -0.119 0.000 2.014 119 Q HA -0.338 4.002 4.340 0.000 0.000 0.207 119 Q C 2.417 178.394 176.000 -0.037 0.000 0.993 119 Q CA 2.983 58.672 55.803 -0.190 0.000 0.850 119 Q CB -0.168 28.162 28.738 -0.680 0.000 0.916 119 Q HN -0.546 7.625 8.270 -0.155 0.006 0.417 120 M N -1.332 118.147 119.600 -0.201 0.000 2.080 120 M HA -0.390 4.090 4.480 0.000 0.000 0.260 120 M C 2.669 179.060 176.300 0.153 0.000 1.068 120 M CA 3.704 58.950 55.300 -0.089 0.000 1.109 120 M CB -0.212 32.301 32.600 -0.145 0.000 1.342 120 M HN -0.677 7.442 8.290 -0.285 0.000 0.405 121 Q N -0.974 118.883 119.800 0.095 0.000 2.173 121 Q HA -0.362 3.978 4.340 0.000 0.000 0.208 121 Q C 2.786 178.892 176.000 0.178 0.000 0.989 121 Q CA 3.178 59.048 55.803 0.112 0.000 0.872 121 Q CB -0.524 28.258 28.738 0.072 0.000 0.909 121 Q HN 0.162 8.395 8.270 0.032 0.056 0.420 122 Q N -0.759 119.189 119.800 0.246 0.000 2.077 122 Q HA -0.338 4.002 4.340 0.000 0.000 0.206 122 Q C 2.152 178.319 176.000 0.277 0.000 0.989 122 Q CA 3.278 59.257 55.803 0.294 0.000 0.853 122 Q CB -0.053 28.802 28.738 0.196 0.000 0.907 122 Q HN -0.076 8.223 8.270 0.218 0.102 0.418 123 Y N -4.009 116.390 120.300 0.165 0.000 2.632 123 Y HA -0.094 4.456 4.550 0.000 0.000 0.301 123 Y C 1.087 177.031 175.900 0.074 0.000 1.172 123 Y CA 1.252 59.434 58.100 0.136 0.000 1.328 123 Y CB -1.105 37.455 38.460 0.166 0.000 1.016 123 Y HN -0.473 8.201 8.280 0.796 0.084 0.529 124 T N -0.869 113.794 114.554 0.181 0.000 3.054 124 T HA -0.010 4.340 4.350 0.000 0.000 0.259 124 T C 0.273 174.944 174.700 -0.049 0.000 1.092 124 T CA 2.227 64.360 62.100 0.056 0.000 1.121 124 T CB 0.196 69.088 68.868 0.042 0.000 0.912 124 T HN -0.089 8.053 8.240 0.210 0.225 0.489 125 Q N -3.606 116.152 119.800 -0.070 0.000 2.143 125 Q HA 0.076 4.416 4.340 0.000 0.000 0.242 125 Q C 1.664 177.491 176.000 -0.289 0.000 0.790 125 Q CA 0.223 55.893 55.803 -0.221 0.000 0.954 125 Q CB 1.803 30.359 28.738 -0.303 0.000 1.155 125 Q HN -0.392 7.775 8.270 0.011 0.109 0.474 126 Y N 3.451 123.700 120.300 -0.086 0.000 3.007 126 Y HA -0.262 4.288 4.550 0.000 0.000 0.390 126 Y C 0.461 176.302 175.900 -0.100 0.000 1.065 126 Y CA 0.126 58.163 58.100 -0.104 0.000 1.845 126 Y CB -2.305 36.066 38.460 -0.150 0.000 1.828 126 Y HN -0.141 8.181 8.280 0.069 0.000 0.458 127 G N 1.494 110.295 108.800 0.002 0.000 2.611 127 G HA2 -0.440 3.520 3.960 0.000 0.000 0.301 127 G HA3 -0.440 3.520 3.960 0.000 0.000 0.301 127 G C 0.214 175.116 174.900 0.003 0.000 1.233 127 G CA -0.545 44.554 45.100 -0.001 0.000 0.993 127 G HN -0.462 7.702 8.290 -0.067 0.086 0.553 128 G N 0.499 109.301 108.800 0.004 0.000 2.608 128 G HA2 -0.115 3.845 3.960 0.000 0.000 0.283 128 G HA3 -0.115 3.845 3.960 0.000 0.000 0.283 128 G C -1.349 173.550 174.900 -0.001 0.000 0.648 128 G CA 0.727 45.827 45.100 0.001 0.000 2.117 128 G HN -0.017 8.278 8.290 0.007 0.000 0.545 129 V N 2.593 122.515 119.914 0.014 0.000 2.863 129 V HA -0.003 4.117 4.120 0.000 0.000 0.259 129 V C -2.342 173.804 176.094 0.086 0.000 1.683 129 V CA -0.326 61.999 62.300 0.042 0.000 0.892 129 V CB 2.922 34.746 31.823 0.001 0.000 1.222 129 V HN -0.319 7.842 8.190 0.017 0.039 0.469 130 R N 6.674 127.211 120.500 0.061 0.000 2.442 130 R HA 0.375 4.715 4.340 0.000 0.000 0.291 130 R C -1.866 174.446 176.300 0.021 0.000 1.069 130 R CA -1.164 54.956 56.100 0.033 0.000 1.022 130 R CB 0.638 30.932 30.300 -0.010 0.000 0.976 130 R HN 0.150 8.445 8.270 0.042 0.000 0.443 131 P HA -0.067 4.353 4.420 0.000 0.000 0.270 131 P C -1.884 175.374 177.300 -0.070 0.000 1.223 131 P CA -0.133 63.003 63.100 0.060 0.000 0.785 131 P CB 0.601 32.353 31.700 0.086 0.000 0.923 132 Y N -0.318 119.918 120.300 -0.106 0.000 2.637 132 Y HA -0.161 4.389 4.550 0.000 0.000 0.350 132 Y C 1.067 176.933 175.900 -0.057 0.000 1.069 132 Y CA 0.990 59.013 58.100 -0.129 0.000 1.397 132 Y CB -0.799 37.541 38.460 -0.199 0.000 1.163 132 Y HN 0.257 8.681 8.280 0.240 0.000 0.527 133 G N 5.041 113.869 108.800 0.047 0.000 3.102 133 G HA2 -0.084 3.876 3.960 0.000 0.000 0.264 133 G HA3 -0.084 3.876 3.960 0.000 0.000 0.264 133 G C -2.637 172.294 174.900 0.052 0.000 0.788 133 G CA 0.285 45.414 45.100 0.049 0.000 2.029 133 G HN 0.441 8.974 8.290 -0.015 -0.252 0.608 134 V N 1.396 121.348 119.914 0.064 0.000 3.147 134 V HA 0.696 4.816 4.120 0.000 0.000 0.299 134 V C -2.790 173.314 176.094 0.017 0.000 1.302 134 V CA -1.262 61.059 62.300 0.035 0.000 1.015 134 V CB 3.696 35.542 31.823 0.038 0.000 1.086 134 V HN -0.215 7.980 8.190 0.081 0.043 0.437 135 S N 3.065 118.759 115.700 -0.010 0.000 2.541 135 S HA 0.989 5.459 4.470 0.000 0.000 0.280 135 S C -2.206 172.350 174.600 -0.074 0.000 1.112 135 S CA -1.202 56.984 58.200 -0.023 0.000 0.925 135 S CB 3.432 66.625 63.200 -0.010 0.000 1.067 135 S HN 0.189 8.488 8.310 -0.018 0.000 0.479 136 L N -1.767 119.387 121.223 -0.115 0.000 2.469 136 L HA 1.015 5.355 4.340 0.000 0.000 0.256 136 L C -2.075 174.614 176.870 -0.302 0.000 1.006 136 L CA -0.903 53.789 54.840 -0.247 0.000 0.832 136 L CB 3.312 45.148 42.059 -0.371 0.000 1.421 136 L HN 0.777 8.966 8.230 -0.067 0.000 0.410 137 I N -6.170 114.179 120.570 -0.368 0.000 2.466 137 I HA 0.689 4.859 4.170 0.000 0.000 0.289 137 I C -1.637 174.279 176.117 -0.335 0.000 1.026 137 I CA -1.720 59.435 61.300 -0.241 0.000 1.078 137 I CB 2.728 40.655 38.000 -0.122 0.000 1.249 137 I HN 0.499 8.489 8.210 -0.366 0.000 0.429 138 F N 6.422 126.437 119.950 0.108 0.000 2.399 138 F HA 0.767 5.294 4.527 0.000 0.000 0.334 138 F C -1.385 174.520 175.800 0.174 0.000 1.097 138 F CA -1.656 56.416 58.000 0.121 0.000 1.076 138 F CB 2.343 41.412 39.000 0.115 0.000 1.162 138 F HN -0.111 8.362 8.300 0.290 0.000 0.495 139 A N 0.929 123.949 122.820 0.334 0.000 2.547 139 A HA 0.878 5.198 4.320 0.000 0.000 0.297 139 A C -1.534 176.267 177.584 0.361 0.000 1.056 139 A CA -0.726 51.486 52.037 0.292 0.000 0.688 139 A CB 3.237 22.360 19.000 0.205 0.000 1.282 139 A HN 0.898 9.237 8.150 0.315 0.000 0.400 140 G N 0.520 109.474 108.800 0.256 0.000 2.320 140 G HA2 0.173 4.133 3.960 0.000 0.000 0.297 140 G HA3 0.173 4.133 3.960 0.000 0.000 0.297 140 G C -3.169 171.785 174.900 0.089 0.000 1.344 140 G CA 0.749 45.962 45.100 0.189 0.000 0.851 140 G HN 0.259 8.665 8.290 0.193 0.000 0.567 141 I N 0.454 121.051 120.570 0.046 0.000 2.378 141 I HA 0.732 4.902 4.170 0.000 0.000 0.291 141 I C -2.221 173.943 176.117 0.078 0.000 0.992 141 I CA -3.085 58.239 61.300 0.041 0.000 1.154 141 I CB 1.683 39.674 38.000 -0.015 0.000 1.315 141 I HN -0.435 7.806 8.210 0.053 0.000 0.448 142 D N 7.523 127.954 120.400 0.052 0.000 2.658 142 D HA 0.285 4.925 4.640 0.000 0.000 0.243 142 D C -0.414 175.884 176.300 -0.004 0.000 1.159 142 D CA -1.039 52.974 54.000 0.021 0.000 1.084 142 D CB 1.023 41.839 40.800 0.026 0.000 1.227 142 D HN 0.159 8.560 8.370 0.051 0.000 0.636 143 Q N -1.215 118.571 119.800 -0.022 0.000 2.135 143 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 143 Q C 1.535 177.528 176.000 -0.012 0.000 0.981 143 Q CA 2.470 58.256 55.803 -0.028 0.000 0.856 143 Q CB 0.173 28.887 28.738 -0.040 0.000 0.902 143 Q HN -0.213 8.039 8.270 -0.029 0.000 0.425 144 I N -3.735 116.835 120.570 -0.000 0.000 2.233 144 I HA -0.207 3.963 4.170 0.000 0.000 0.243 144 I C 0.670 176.791 176.117 0.006 0.000 1.093 144 I CA 1.126 62.430 61.300 0.006 0.000 1.380 144 I CB 0.850 38.863 38.000 0.022 0.000 1.067 144 I HN -0.038 8.289 8.210 0.004 -0.114 0.413 145 G N -4.020 104.786 108.800 0.010 0.000 2.356 145 G HA2 -0.046 3.914 3.960 0.000 0.000 0.266 145 G HA3 -0.046 3.914 3.960 0.000 0.000 0.266 145 G C -3.396 171.503 174.900 -0.001 0.000 1.312 145 G CA -0.218 44.881 45.100 -0.001 0.000 0.922 145 G HN -0.586 7.990 8.290 0.019 -0.275 0.480 146 P HA 0.174 4.594 4.420 0.000 0.000 0.268 146 P C -1.665 175.626 177.300 -0.015 0.000 1.205 146 P CA 0.279 63.346 63.100 -0.056 0.000 0.771 146 P CB 0.243 31.861 31.700 -0.137 0.000 0.858 147 R N -0.124 120.396 120.500 0.033 0.000 2.740 147 R HA 0.706 5.046 4.340 0.000 0.000 0.273 147 R C -2.163 174.196 176.300 0.099 0.000 0.998 147 R CA -1.296 54.849 56.100 0.076 0.000 0.900 147 R CB 4.599 35.057 30.300 0.263 0.000 1.223 147 R HN 0.710 8.903 8.270 0.046 0.104 0.466 148 L N 0.215 121.418 121.223 -0.033 0.000 2.543 148 L HA 0.677 5.017 4.340 0.000 0.000 0.265 148 L C -2.350 174.444 176.870 -0.127 0.000 0.945 148 L CA -0.043 54.819 54.840 0.037 0.000 0.869 148 L CB 3.359 45.409 42.059 -0.015 0.000 1.294 148 L HN -0.048 8.166 8.230 -0.278 -0.151 0.405 149 F N 4.873 124.941 119.950 0.197 0.000 2.629 149 F HA 0.865 5.392 4.527 0.000 0.000 0.316 149 F C -1.866 174.070 175.800 0.227 0.000 1.081 149 F CA -1.430 56.718 58.000 0.246 0.000 0.954 149 F CB 4.512 43.650 39.000 0.230 0.000 1.337 149 F HN 0.841 9.436 8.300 0.492 0.000 0.474 150 D N -1.373 119.299 120.400 0.453 0.000 2.523 150 D HA 0.649 5.289 4.640 0.000 0.000 0.236 150 D C -2.341 174.124 176.300 0.275 0.000 1.094 150 D CA -2.070 52.079 54.000 0.249 0.000 0.942 150 D CB 3.764 44.614 40.800 0.083 0.000 1.447 150 D HN 0.424 9.118 8.370 0.539 0.000 0.479 151 C N -0.782 118.618 119.300 0.167 0.000 2.811 151 C HA 0.601 5.061 4.460 0.000 0.000 0.352 151 C C -2.088 172.950 174.990 0.079 0.000 1.098 151 C CA -0.981 58.130 59.018 0.155 0.000 1.295 151 C CB 3.041 30.915 27.740 0.223 0.000 1.758 151 C HN 0.414 8.695 8.230 0.084 0.000 0.488 152 D N 5.664 126.108 120.400 0.074 0.000 2.506 152 D HA 0.587 5.227 4.640 0.000 0.000 0.254 152 D C -1.301 175.027 176.300 0.046 0.000 1.089 152 D CA -2.654 51.377 54.000 0.051 0.000 1.050 152 D CB -0.546 40.288 40.800 0.057 0.000 1.221 152 D HN -0.228 8.195 8.370 0.089 0.000 0.589 153 P HA -0.183 4.237 4.420 0.000 0.000 0.218 153 P C -0.717 176.620 177.300 0.061 0.000 1.146 153 P CA 2.446 65.582 63.100 0.061 0.000 0.813 153 P CB -0.171 31.569 31.700 0.065 0.000 0.778 154 A N -6.271 116.580 122.820 0.051 0.000 2.206 154 A HA -0.067 4.253 4.320 0.000 0.000 0.211 154 A C 0.698 178.310 177.584 0.048 0.000 1.158 154 A CA 0.235 52.300 52.037 0.047 0.000 0.761 154 A CB -0.655 18.368 19.000 0.039 0.000 0.801 154 A HN -0.334 8.046 8.150 0.050 -0.200 0.473 155 G N -2.538 106.289 108.800 0.046 0.000 2.159 155 G HA2 -0.366 3.594 3.960 0.000 0.000 0.256 155 G HA3 -0.366 3.594 3.960 0.000 0.000 0.256 155 G C -0.232 174.699 174.900 0.051 0.000 0.977 155 G CA 0.140 45.263 45.100 0.039 0.000 0.652 155 G HN 0.006 8.204 8.290 0.046 0.119 0.531 156 T N 2.367 116.958 114.554 0.061 0.000 2.884 156 T HA 0.054 4.404 4.350 0.000 0.000 0.298 156 T C -1.289 173.473 174.700 0.103 0.000 0.998 156 T CA 1.565 63.707 62.100 0.070 0.000 1.124 156 T CB 0.910 69.817 68.868 0.065 0.000 0.931 156 T HN -0.090 8.429 8.240 0.059 -0.243 0.531 157 I N 3.963 124.600 120.570 0.112 0.000 2.582 157 I HA 0.529 4.699 4.170 0.000 0.000 0.292 157 I C -2.312 173.918 176.117 0.189 0.000 1.066 157 I CA -1.937 59.468 61.300 0.176 0.000 1.053 157 I CB 3.037 41.129 38.000 0.152 0.000 1.241 157 I HN 0.097 8.360 8.210 0.089 0.000 0.421 158 N N 7.584 126.438 118.700 0.257 0.000 2.494 158 N HA 0.273 5.013 4.740 0.000 0.000 0.270 158 N C -2.800 172.768 175.510 0.096 0.000 1.285 158 N CA -0.586 52.524 53.050 0.100 0.000 0.812 158 N CB 3.965 42.370 38.487 -0.136 0.000 1.557 158 N HN 0.011 8.700 8.380 0.346 -0.102 0.487 159 E N 0.265 120.318 120.200 -0.246 0.000 2.179 159 E HA 0.411 4.761 4.350 0.000 0.000 0.275 159 E C -1.377 174.982 176.600 -0.403 0.000 0.945 159 E CA -1.137 54.915 56.400 -0.579 0.000 0.792 159 E CB 1.960 31.076 29.700 -0.974 0.000 1.125 159 E HN 0.157 8.375 8.360 -0.236 0.000 0.397 160 Y N 4.442 124.559 120.300 -0.305 0.000 2.630 160 Y HA 0.188 4.738 4.550 0.000 0.000 0.337 160 Y C -0.863 174.909 175.900 -0.214 0.000 1.051 160 Y CA -0.794 57.180 58.100 -0.210 0.000 1.121 160 Y CB 1.975 40.334 38.460 -0.168 0.000 1.299 160 Y HN 0.229 8.474 8.280 -0.058 0.000 0.498 161 K N -0.962 119.425 120.400 -0.022 0.000 2.211 161 K HA -0.068 4.252 4.320 0.000 0.000 0.201 161 K C -1.028 175.419 176.600 -0.255 0.000 1.052 161 K CA 0.674 56.885 56.287 -0.128 0.000 0.973 161 K CB 1.110 33.513 32.500 -0.162 0.000 0.766 161 K HN 0.301 8.565 8.250 0.025 0.000 0.466 162 A N -6.356 116.318 122.820 -0.243 0.000 2.597 162 A HA 0.509 4.829 4.320 0.000 0.000 0.292 162 A C -1.808 175.632 177.584 -0.240 0.000 1.057 162 A CA -0.289 51.570 52.037 -0.297 0.000 0.674 162 A CB 2.284 20.934 19.000 -0.584 0.000 1.278 162 A HN -0.757 7.333 8.150 -0.079 0.013 0.416 163 T N -0.913 113.457 114.554 -0.305 0.000 2.717 163 T HA 0.196 4.546 4.350 0.000 0.000 0.315 163 T C -2.575 171.939 174.700 -0.311 0.000 1.746 163 T CA 0.448 62.285 62.100 -0.438 0.000 1.001 163 T CB 2.015 70.185 68.868 -1.163 0.000 1.673 163 T HN 0.783 8.878 8.240 -0.241 0.000 0.498 164 A N 0.860 123.516 122.820 -0.274 0.000 2.504 164 A HA 1.074 5.394 4.320 0.000 0.000 0.285 164 A C -2.805 174.680 177.584 -0.165 0.000 1.261 164 A CA -1.447 50.480 52.037 -0.183 0.000 0.741 164 A CB 3.003 21.928 19.000 -0.125 0.000 1.327 164 A HN 0.118 8.083 8.150 -0.308 0.000 0.441 165 I N -2.285 118.215 120.570 -0.117 0.000 2.947 165 I HA 0.223 4.393 4.170 0.000 0.000 0.301 165 I C -1.769 174.308 176.117 -0.066 0.000 1.453 165 I CA -1.115 60.130 61.300 -0.090 0.000 0.984 165 I CB 3.989 41.929 38.000 -0.101 0.000 1.333 165 I HN 0.774 8.834 8.210 -0.106 0.086 0.475 166 G N 3.693 112.466 108.800 -0.046 0.000 2.443 166 G HA2 -0.334 3.626 3.960 0.000 0.000 0.209 166 G HA3 -0.334 3.626 3.960 0.000 0.000 0.209 166 G C -0.134 174.754 174.900 -0.021 0.000 1.176 166 G CA 0.256 45.336 45.100 -0.034 0.000 1.074 166 G HN -0.305 7.962 8.290 -0.039 0.000 0.577 167 S N 3.577 119.266 115.700 -0.018 0.000 2.336 167 S HA -0.102 4.368 4.470 0.000 0.000 0.214 167 S C 2.347 176.943 174.600 -0.007 0.000 1.032 167 S CA 2.398 60.592 58.200 -0.009 0.000 1.001 167 S CB -0.079 63.116 63.200 -0.009 0.000 0.953 167 S HN -0.072 8.114 8.310 -0.023 0.111 0.430 168 G N 0.007 108.801 108.800 -0.010 0.000 3.375 168 G HA2 -0.010 3.950 3.960 0.000 0.000 0.247 168 G HA3 -0.010 3.950 3.960 0.000 0.000 0.247 168 G C -0.315 174.580 174.900 -0.007 0.000 1.343 168 G CA -0.465 44.633 45.100 -0.004 0.000 1.368 168 G HN 0.365 8.646 8.290 -0.016 0.000 0.549 169 K N 1.845 122.238 120.400 -0.012 0.000 1.978 169 K HA -0.382 3.938 4.320 0.000 0.000 0.214 169 K C 0.972 177.571 176.600 -0.001 0.000 1.049 169 K CA 3.800 60.076 56.287 -0.019 0.000 0.939 169 K CB -0.124 32.364 32.500 -0.020 0.000 0.721 169 K HN -0.287 7.853 8.250 -0.010 0.104 0.441 170 D N -1.017 119.390 120.400 0.012 0.000 2.149 170 D HA -0.373 4.267 4.640 0.000 0.000 0.194 170 D C 1.839 178.161 176.300 0.037 0.000 1.001 170 D CA 3.476 57.491 54.000 0.025 0.000 0.849 170 D CB -0.830 39.986 40.800 0.026 0.000 0.939 170 D HN 0.317 8.694 8.370 0.010 0.000 0.449 171 A N -0.582 122.261 122.820 0.038 0.000 1.835 171 A HA -0.154 4.166 4.320 0.000 0.000 0.215 171 A C 2.127 179.765 177.584 0.090 0.000 1.199 171 A CA 2.904 54.977 52.037 0.059 0.000 0.615 171 A CB -0.849 18.182 19.000 0.053 0.000 0.838 171 A HN -0.144 8.008 8.150 0.027 0.014 0.444 172 V N -0.641 119.309 119.914 0.060 0.000 2.392 172 V HA -0.362 3.758 4.120 0.000 0.000 0.249 172 V C 1.516 177.649 176.094 0.065 0.000 1.059 172 V CA 3.569 65.898 62.300 0.050 0.000 1.051 172 V CB -0.465 31.339 31.823 -0.033 0.000 0.658 172 V HN -0.467 7.741 8.190 0.031 0.000 0.455 173 V N -1.219 118.717 119.914 0.037 0.000 2.407 173 V HA -0.454 3.666 4.120 0.000 0.000 0.248 173 V C 1.303 177.449 176.094 0.086 0.000 1.055 173 V CA 4.610 66.930 62.300 0.033 0.000 1.049 173 V CB -0.929 30.900 31.823 0.011 0.000 0.662 173 V HN 0.674 8.877 8.190 0.022 0.000 0.455 174 S N 1.072 116.832 115.700 0.101 0.000 2.348 174 S HA -0.315 4.155 4.470 0.000 0.000 0.221 174 S C 1.644 176.345 174.600 0.167 0.000 1.033 174 S CA 3.917 62.180 58.200 0.105 0.000 1.010 174 S CB -0.418 62.829 63.200 0.079 0.000 0.891 174 S HN -0.600 7.673 8.310 0.087 0.089 0.442 175 F N 2.688 122.654 119.950 0.026 0.000 2.045 175 F HA -0.412 4.115 4.527 0.000 0.000 0.297 175 F C 1.217 177.052 175.800 0.058 0.000 1.114 175 F CA 3.092 61.113 58.000 0.036 0.000 1.207 175 F CB -0.048 38.970 39.000 0.030 0.000 0.964 175 F HN -0.505 7.965 8.300 0.284 0.000 0.486 176 L N -2.458 119.045 121.223 0.467 0.000 2.017 176 L HA -0.423 3.917 4.340 0.000 0.000 0.208 176 L C 2.409 179.444 176.870 0.276 0.000 1.073 176 L CA 2.522 57.574 54.840 0.354 0.000 0.745 176 L CB -1.747 40.404 42.059 0.153 0.000 0.894 176 L HN -0.249 8.184 8.230 0.339 0.000 0.432 177 E N -0.478 119.827 120.200 0.176 0.000 2.233 177 E HA -0.352 3.998 4.350 0.000 0.000 0.199 177 E C 1.842 178.518 176.600 0.127 0.000 1.004 177 E CA 2.830 59.305 56.400 0.125 0.000 0.819 177 E CB -0.194 29.560 29.700 0.089 0.000 0.738 177 E HN -0.202 8.093 8.360 0.158 0.161 0.478 178 R N -1.959 118.618 120.500 0.129 0.000 2.072 178 R HA 0.016 4.356 4.340 0.000 0.000 0.214 178 R C 2.135 178.490 176.300 0.092 0.000 1.168 178 R CA 1.608 57.751 56.100 0.071 0.000 1.020 178 R CB 1.194 31.488 30.300 -0.011 0.000 0.914 178 R HN -0.337 7.879 8.270 0.157 0.148 0.449 179 E N -1.916 118.367 120.200 0.138 0.000 2.437 179 E HA -0.057 4.293 4.350 0.000 0.000 0.189 179 E C -0.776 175.967 176.600 0.238 0.000 1.054 179 E CA -0.185 56.314 56.400 0.166 0.000 0.874 179 E CB 0.609 30.404 29.700 0.159 0.000 1.011 179 E HN -0.024 8.337 8.360 0.177 0.106 0.474 180 Y N 2.345 122.734 120.300 0.148 0.000 2.465 180 Y HA -0.229 4.321 4.550 0.000 0.000 0.331 180 Y C -1.245 174.706 175.900 0.086 0.000 1.102 180 Y CA 1.089 59.259 58.100 0.117 0.000 1.358 180 Y CB 0.288 38.807 38.460 0.097 0.000 1.213 180 Y HN -0.274 8.084 8.280 0.344 0.129 0.525 181 K N 9.283 129.263 120.400 -0.700 0.000 2.281 181 K HA 0.132 4.452 4.320 0.000 0.000 0.272 181 K C 0.392 176.506 176.600 -0.810 0.000 1.048 181 K CA -2.002 53.965 56.287 -0.533 0.000 0.898 181 K CB 0.968 33.315 32.500 -0.254 0.000 1.128 181 K HN 0.173 8.028 8.250 -0.658 0.000 0.460 182 E N 7.470 127.398 120.200 -0.454 0.000 2.094 182 E HA -0.440 3.910 4.350 0.000 0.000 0.232 182 E C -0.050 176.509 176.600 -0.068 0.000 1.055 182 E CA 2.768 59.071 56.400 -0.162 0.000 0.923 182 E CB 0.163 29.858 29.700 -0.008 0.000 0.815 182 E HN 0.661 8.855 8.360 -0.277 0.000 0.502 183 N N -1.166 117.516 118.700 -0.031 0.000 2.714 183 N HA -0.027 4.713 4.740 0.000 0.000 0.298 183 N C -1.141 174.390 175.510 0.034 0.000 1.298 183 N CA -0.616 52.456 53.050 0.037 0.000 1.007 183 N CB 0.142 38.655 38.487 0.043 0.000 1.318 183 N HN 0.022 8.376 8.380 -0.043 0.000 0.516 184 L N 3.392 124.613 121.223 -0.003 0.000 2.477 184 L HA 0.151 4.491 4.340 0.000 0.000 0.272 184 L C -1.940 174.940 176.870 0.018 0.000 1.157 184 L CA -1.892 52.938 54.840 -0.016 0.000 0.889 184 L CB 0.404 42.421 42.059 -0.071 0.000 1.158 184 L HN -0.593 7.525 8.230 -0.057 0.078 0.473 185 P HA 0.008 4.428 4.420 0.000 0.000 0.268 185 P C 0.411 177.559 177.300 -0.255 0.000 1.205 185 P CA -0.172 62.882 63.100 -0.077 0.000 0.771 185 P CB 0.710 32.387 31.700 -0.038 0.000 0.858 186 E N 6.528 126.401 120.200 -0.545 0.000 2.110 186 E HA -0.528 3.822 4.350 0.000 0.000 0.225 186 E C 1.896 178.304 176.600 -0.319 0.000 1.063 186 E CA 4.790 60.715 56.400 -0.793 0.000 0.906 186 E CB 0.021 29.343 29.700 -0.629 0.000 0.795 186 E HN 0.375 8.459 8.360 -0.459 0.000 0.479 187 K N -2.221 118.127 120.400 -0.088 0.000 2.059 187 K HA -0.369 3.951 4.320 0.000 0.000 0.212 187 K C 2.531 179.202 176.600 0.118 0.000 1.050 187 K CA 3.397 59.764 56.287 0.134 0.000 0.927 187 K CB -0.455 32.126 32.500 0.135 0.000 0.714 187 K HN 0.090 8.285 8.250 -0.092 0.000 0.447 188 E N -1.679 118.529 120.200 0.015 0.000 2.107 188 E HA -0.250 4.100 4.350 0.000 0.000 0.191 188 E C 2.128 178.719 176.600 -0.015 0.000 0.982 188 E CA 2.549 58.960 56.400 0.018 0.000 0.809 188 E CB -0.148 29.551 29.700 -0.002 0.000 0.756 188 E HN -0.446 7.891 8.360 -0.030 0.005 0.459 189 A N 0.509 123.278 122.820 -0.085 0.000 1.883 189 A HA -0.203 4.117 4.320 0.000 0.000 0.217 189 A C 2.058 179.594 177.584 -0.081 0.000 1.186 189 A CA 3.344 55.337 52.037 -0.073 0.000 0.624 189 A CB -0.722 18.199 19.000 -0.132 0.000 0.822 189 A HN 0.180 8.070 8.150 -0.136 0.179 0.444 190 V N -2.888 116.928 119.914 -0.164 0.000 2.490 190 V HA -0.453 3.667 4.120 0.000 0.000 0.250 190 V C 1.378 177.387 176.094 -0.141 0.000 1.061 190 V CA 4.016 66.163 62.300 -0.255 0.000 1.064 190 V CB -0.664 30.818 31.823 -0.569 0.000 0.670 190 V HN 0.590 8.659 8.190 -0.201 0.000 0.461 191 T N 4.077 118.637 114.554 0.009 0.000 2.668 191 T HA -0.282 4.068 4.350 0.000 0.000 0.262 191 T C 1.529 176.231 174.700 0.003 0.000 1.045 191 T CA 4.883 67.033 62.100 0.083 0.000 1.152 191 T CB -0.650 68.297 68.868 0.132 0.000 0.864 191 T HN -0.612 7.542 8.240 0.033 0.106 0.419 192 L N 1.150 122.373 121.223 -0.001 0.000 2.051 192 L HA -0.423 3.917 4.340 0.000 0.000 0.214 192 L C 1.546 178.318 176.870 -0.162 0.000 1.076 192 L CA 3.058 57.885 54.840 -0.023 0.000 0.758 192 L CB -0.755 41.322 42.059 0.029 0.000 0.890 192 L HN 0.361 8.599 8.230 0.013 0.000 0.433 193 G N -1.561 107.165 108.800 -0.122 0.000 2.480 193 G HA2 -0.428 3.532 3.960 0.000 0.000 0.216 193 G HA3 -0.428 3.532 3.960 0.000 0.000 0.216 193 G C 0.748 175.522 174.900 -0.210 0.000 1.200 193 G CA 2.038 47.038 45.100 -0.167 0.000 0.782 193 G HN 0.062 8.309 8.290 -0.074 -0.002 0.554 194 I N 2.175 122.653 120.570 -0.153 0.000 2.335 194 I HA -0.505 3.665 4.170 0.000 0.000 0.251 194 I C 1.235 177.280 176.117 -0.120 0.000 1.129 194 I CA 2.922 64.152 61.300 -0.117 0.000 1.402 194 I CB -0.114 37.852 38.000 -0.056 0.000 1.069 194 I HN 0.202 8.331 8.210 -0.135 0.000 0.424 195 K N 0.071 120.384 120.400 -0.146 0.000 2.001 195 K HA -0.371 3.949 4.320 0.000 0.000 0.208 195 K C 1.739 178.132 176.600 -0.345 0.000 1.048 195 K CA 3.761 59.974 56.287 -0.122 0.000 0.932 195 K CB -0.079 32.411 32.500 -0.016 0.000 0.715 195 K HN 0.202 8.355 8.250 -0.132 0.018 0.437 196 A N -0.668 121.632 122.820 -0.867 0.000 1.883 196 A HA -0.260 4.060 4.320 0.000 0.000 0.217 196 A C 2.172 179.530 177.584 -0.377 0.000 1.186 196 A CA 3.059 54.392 52.037 -1.173 0.000 0.624 196 A CB -0.835 17.523 19.000 -1.070 0.000 0.822 196 A HN -0.011 7.673 8.150 -0.776 0.000 0.444 197 L N -1.662 119.406 121.223 -0.259 0.000 1.989 197 L HA -0.375 3.965 4.340 0.000 0.000 0.211 197 L C 1.406 178.232 176.870 -0.073 0.000 1.071 197 L CA 2.875 57.635 54.840 -0.133 0.000 0.749 197 L CB -0.463 41.526 42.059 -0.117 0.000 0.890 197 L HN 0.258 8.312 8.230 -0.294 0.000 0.431 198 K N -1.498 118.864 120.400 -0.064 0.000 1.980 198 K HA -0.547 3.773 4.320 0.000 0.000 0.223 198 K C 2.190 178.807 176.600 0.028 0.000 1.052 198 K CA 3.824 60.106 56.287 -0.008 0.000 0.974 198 K CB -0.162 32.343 32.500 0.010 0.000 0.734 198 K HN 0.128 8.208 8.250 -0.096 0.112 0.447 199 S N -1.530 114.217 115.700 0.078 0.000 2.407 199 S HA -0.403 4.067 4.470 0.000 0.000 0.244 199 S C 1.836 176.494 174.600 0.096 0.000 1.077 199 S CA 3.075 61.359 58.200 0.141 0.000 1.159 199 S CB -0.696 62.701 63.200 0.329 0.000 1.045 199 S HN -0.249 8.107 8.310 0.076 0.000 0.438 200 S N 2.144 117.892 115.700 0.081 0.000 2.523 200 S HA -0.295 4.175 4.470 0.000 0.000 0.226 200 S C 1.746 176.364 174.600 0.029 0.000 1.062 200 S CA 2.602 60.833 58.200 0.051 0.000 1.207 200 S CB 0.183 63.395 63.200 0.022 0.000 1.151 200 S HN -0.602 7.754 8.310 0.076 0.000 0.408 201 L N -0.888 120.342 121.223 0.011 0.000 2.362 201 L HA -0.066 4.274 4.340 0.000 0.000 0.219 201 L C 2.036 178.912 176.870 0.010 0.000 1.134 201 L CA 1.396 56.239 54.840 0.005 0.000 0.807 201 L CB -0.103 41.952 42.059 -0.007 0.000 0.927 201 L HN -0.602 7.628 8.230 0.001 0.000 0.447 202 E N -1.053 119.157 120.200 0.017 0.000 2.651 202 E HA -0.083 4.267 4.350 0.000 0.000 0.236 202 E C 0.900 177.514 176.600 0.023 0.000 1.422 202 E CA -0.376 56.036 56.400 0.020 0.000 1.534 202 E CB -2.397 27.318 29.700 0.025 0.000 1.381 202 E HN 0.076 8.392 8.360 0.021 0.057 0.435 203 E N 0.528 120.740 120.200 0.019 0.000 2.170 203 E HA -0.072 4.278 4.350 0.000 0.000 0.191 203 E C 0.829 177.437 176.600 0.014 0.000 0.981 203 E CA 1.181 57.592 56.400 0.017 0.000 0.830 203 E CB 0.214 29.924 29.700 0.015 0.000 0.775 203 E HN -0.002 8.252 8.360 0.016 0.115 0.470 204 G N -0.404 108.402 108.800 0.011 0.000 3.562 204 G HA2 0.049 4.009 3.960 0.000 0.000 0.279 204 G HA3 0.049 4.009 3.960 0.000 0.000 0.279 204 G C -0.781 174.125 174.900 0.009 0.000 1.314 204 G CA -0.933 44.172 45.100 0.009 0.000 1.189 204 G HN -0.504 7.777 8.290 0.011 0.016 0.562 205 E N -0.414 119.794 120.200 0.013 0.000 4.217 205 E HA -0.645 3.705 4.350 0.000 0.000 0.199 205 E C -0.943 175.665 176.600 0.013 0.000 1.296 205 E CA 2.359 58.767 56.400 0.014 0.000 2.222 205 E CB -1.259 28.448 29.700 0.012 0.000 1.890 205 E HN -0.321 7.945 8.360 0.014 0.103 0.299 206 E N 0.689 120.895 120.200 0.010 0.000 2.406 206 E HA -0.173 4.177 4.350 0.000 0.000 0.258 206 E C 0.069 176.673 176.600 0.007 0.000 1.043 206 E CA -0.002 56.403 56.400 0.009 0.000 0.929 206 E CB 0.334 30.038 29.700 0.008 0.000 0.969 206 E HN -0.236 8.091 8.360 0.009 0.039 0.462 207 L N 6.418 127.646 121.223 0.008 0.000 2.376 207 L HA -0.168 4.172 4.340 0.000 0.000 0.219 207 L C -0.395 176.475 176.870 0.001 0.000 1.133 207 L CA 1.307 56.149 54.840 0.003 0.000 0.816 207 L CB -0.168 41.894 42.059 0.005 0.000 0.933 207 L HN 0.232 8.469 8.230 0.012 0.000 0.449 208 K N -3.047 117.356 120.400 0.005 0.000 1.968 208 K HA -0.347 3.973 4.320 0.000 0.000 0.393 208 K C -1.734 174.871 176.600 0.008 0.000 1.775 208 K CA 0.767 57.057 56.287 0.005 0.000 0.654 208 K CB -0.687 31.813 32.500 -0.000 0.000 1.066 208 K HN -0.664 7.549 8.250 0.008 0.042 0.701 209 A N 0.600 123.423 122.820 0.005 0.000 2.277 209 A HA 0.469 4.789 4.320 0.000 0.000 0.318 209 A C -2.715 174.867 177.584 -0.003 0.000 1.339 209 A CA -2.454 49.588 52.037 0.009 0.000 0.875 209 A CB 0.641 19.649 19.000 0.013 0.000 1.158 209 A HN 0.196 8.347 8.150 0.001 0.000 0.514 210 P HA 0.182 4.602 4.420 0.000 0.000 0.278 210 P C -1.742 175.535 177.300 -0.040 0.000 1.238 210 P CA -0.779 62.300 63.100 -0.034 0.000 0.794 210 P CB 0.789 32.459 31.700 -0.050 0.000 0.955 211 E N 2.337 122.503 120.200 -0.057 0.000 2.109 211 E HA 0.338 4.688 4.350 0.000 0.000 0.278 211 E C -1.689 174.849 176.600 -0.103 0.000 0.954 211 E CA -1.205 55.161 56.400 -0.058 0.000 0.779 211 E CB 2.445 32.114 29.700 -0.050 0.000 1.093 211 E HN 0.519 8.841 8.360 -0.062 0.000 0.401 212 I N 4.356 124.848 120.570 -0.130 0.000 2.686 212 I HA 0.777 4.947 4.170 0.000 0.000 0.295 212 I C -2.927 173.066 176.117 -0.206 0.000 1.114 212 I CA -2.294 58.857 61.300 -0.249 0.000 1.038 212 I CB 3.824 41.537 38.000 -0.477 0.000 1.238 212 I HN 0.356 8.519 8.210 -0.078 0.000 0.420 213 A N 6.162 128.892 122.820 -0.149 0.000 2.515 213 A HA 0.950 5.270 4.320 0.000 0.000 0.298 213 A C -2.877 174.812 177.584 0.175 0.000 1.059 213 A CA -1.006 51.068 52.037 0.061 0.000 0.698 213 A CB 3.595 22.608 19.000 0.022 0.000 1.289 213 A HN 0.714 8.766 8.150 -0.164 0.000 0.404 214 S N -0.266 115.661 115.700 0.378 0.000 2.536 214 S HA 0.978 5.448 4.470 0.000 0.000 0.271 214 S C -1.947 172.780 174.600 0.211 0.000 1.134 214 S CA -0.864 57.553 58.200 0.362 0.000 0.897 214 S CB 3.284 66.699 63.200 0.359 0.000 1.094 214 S HN 0.983 9.456 8.310 0.446 0.105 0.473 215 I N 0.659 121.145 120.570 -0.140 0.000 2.785 215 I HA 0.581 4.751 4.170 0.000 0.000 0.302 215 I C -2.944 173.061 176.117 -0.187 0.000 1.069 215 I CA -2.125 58.932 61.300 -0.405 0.000 1.045 215 I CB 3.601 40.884 38.000 -1.194 0.000 1.236 215 I HN 0.599 8.762 8.210 -0.078 0.000 0.429 216 T N 6.152 120.646 114.554 -0.102 0.000 2.916 216 T HA 0.548 4.898 4.350 0.000 0.000 0.292 216 T C -1.523 173.148 174.700 -0.049 0.000 1.055 216 T CA -2.458 59.622 62.100 -0.034 0.000 1.009 216 T CB 2.529 71.461 68.868 0.106 0.000 1.118 216 T HN 0.173 8.345 8.240 -0.114 0.000 0.497 217 V N 4.686 124.580 119.914 -0.034 0.000 2.694 217 V HA -0.125 3.995 4.120 0.000 0.000 0.306 217 V C 0.682 176.792 176.094 0.027 0.000 1.054 217 V CA 1.833 64.131 62.300 -0.003 0.000 1.161 217 V CB -0.166 31.654 31.823 -0.005 0.000 0.916 217 V HN 0.551 8.603 8.190 -0.047 0.110 0.490 218 G N 5.940 114.773 108.800 0.055 0.000 2.254 218 G HA2 -0.208 3.752 3.960 0.000 0.000 0.225 218 G HA3 -0.208 3.752 3.960 0.000 0.000 0.225 218 G C -1.267 173.686 174.900 0.089 0.000 1.003 218 G CA -0.205 44.935 45.100 0.067 0.000 0.622 218 G HN 0.455 8.789 8.290 0.073 0.000 0.507 219 N N -0.459 118.277 118.700 0.061 0.000 3.204 219 N HA 0.242 4.982 4.740 0.000 0.000 0.285 219 N C -2.038 173.355 175.510 -0.195 0.000 1.536 219 N CA -0.907 52.144 53.050 0.002 0.000 0.832 219 N CB 1.523 40.002 38.487 -0.014 0.000 1.645 219 N HN -0.348 7.989 8.380 0.032 0.062 0.586 220 K N -2.388 117.818 120.400 -0.323 0.000 2.120 220 K HA 0.085 4.405 4.320 0.000 0.000 0.245 220 K C 0.024 176.481 176.600 -0.240 0.000 1.024 220 K CA 0.026 56.008 56.287 -0.510 0.000 0.906 220 K CB 0.765 33.037 32.500 -0.381 0.000 1.051 220 K HN -0.035 8.102 8.250 -0.189 0.000 0.491 221 Y N -0.269 119.903 120.300 -0.213 0.000 2.550 221 Y HA -0.210 4.340 4.550 0.000 0.000 0.343 221 Y C -0.113 175.771 175.900 -0.027 0.000 1.245 221 Y CA 2.051 60.107 58.100 -0.073 0.000 1.462 221 Y CB 0.715 39.148 38.460 -0.045 0.000 1.340 221 Y HN -0.308 7.914 8.280 -0.096 0.000 0.604 222 R N 3.609 124.285 120.500 0.294 0.000 2.476 222 R HA 0.398 4.738 4.340 0.000 0.000 0.305 222 R C -1.855 174.613 176.300 0.280 0.000 0.965 222 R CA -1.243 54.978 56.100 0.202 0.000 0.867 222 R CB 2.901 33.279 30.300 0.131 0.000 1.176 222 R HN 0.335 8.839 8.270 0.390 0.000 0.447 223 I N 6.695 127.380 120.570 0.192 0.000 2.353 223 I HA 0.187 4.357 4.170 0.000 0.000 0.293 223 I C -0.398 175.870 176.117 0.251 0.000 0.992 223 I CA -1.017 60.405 61.300 0.203 0.000 1.268 223 I CB 1.137 39.191 38.000 0.090 0.000 1.387 223 I HN 0.296 8.583 8.210 0.128 0.000 0.478 224 Y N 7.669 127.977 120.300 0.013 0.000 2.425 224 Y HA -0.223 4.327 4.550 0.000 0.000 0.331 224 Y C 0.099 176.011 175.900 0.020 0.000 1.157 224 Y CA -0.109 58.000 58.100 0.015 0.000 1.372 224 Y CB 0.391 38.842 38.460 -0.015 0.000 1.253 224 Y HN 0.155 8.720 8.280 0.475 0.000 0.536 225 D N 2.551 123.018 120.400 0.110 0.000 2.313 225 D HA -0.004 4.636 4.640 0.000 0.000 0.247 225 D C 0.664 177.024 176.300 0.100 0.000 1.094 225 D CA -0.789 53.258 54.000 0.078 0.000 0.925 225 D CB 1.696 42.516 40.800 0.033 0.000 1.188 225 D HN -0.129 8.395 8.370 0.028 -0.137 0.430 226 Q N 2.776 122.619 119.800 0.072 0.000 2.103 226 Q HA -0.506 3.834 4.340 0.000 0.000 0.213 226 Q C 1.734 177.782 176.000 0.080 0.000 1.008 226 Q CA 4.000 59.843 55.803 0.067 0.000 0.879 226 Q CB -0.049 28.715 28.738 0.043 0.000 0.946 226 Q HN 0.661 8.965 8.270 0.056 0.000 0.413 227 E N -2.192 118.048 120.200 0.066 0.000 2.051 227 E HA -0.313 4.037 4.350 0.000 0.000 0.192 227 E C 2.126 178.786 176.600 0.100 0.000 0.991 227 E CA 2.692 59.129 56.400 0.062 0.000 0.799 227 E CB -0.624 29.096 29.700 0.034 0.000 0.748 227 E HN -0.019 8.450 8.360 0.052 -0.078 0.449 228 E N -0.209 120.065 120.200 0.124 0.000 2.085 228 E HA -0.317 4.033 4.350 0.000 0.000 0.194 228 E C 2.368 179.231 176.600 0.438 0.000 0.994 228 E CA 2.738 59.267 56.400 0.216 0.000 0.801 228 E CB 0.163 29.930 29.700 0.112 0.000 0.743 228 E HN -0.721 7.840 8.360 0.093 -0.145 0.453 229 V N 0.197 120.323 119.914 0.353 0.000 2.358 229 V HA -0.354 3.766 4.120 0.000 0.000 0.246 229 V C 1.329 177.596 176.094 0.288 0.000 1.047 229 V CA 3.692 66.187 62.300 0.325 0.000 1.035 229 V CB -0.298 31.619 31.823 0.156 0.000 0.658 229 V HN 0.114 8.460 8.190 0.260 0.000 0.452 230 K N -0.502 120.008 120.400 0.183 0.000 2.280 230 K HA -0.336 3.984 4.320 0.000 0.000 0.202 230 K C 1.674 178.338 176.600 0.106 0.000 1.047 230 K CA 2.599 58.957 56.287 0.119 0.000 0.942 230 K CB -0.316 32.227 32.500 0.073 0.000 0.739 230 K HN -0.240 8.105 8.250 0.160 0.000 0.457 231 K N -2.087 118.387 120.400 0.122 0.000 2.097 231 K HA -0.195 4.125 4.320 0.000 0.000 0.205 231 K C 1.455 177.983 176.600 -0.120 0.000 1.050 231 K CA 2.661 58.920 56.287 -0.046 0.000 0.938 231 K CB 0.310 32.713 32.500 -0.162 0.000 0.718 231 K HN -0.492 7.723 8.250 0.190 0.149 0.442 232 F N -2.914 117.059 119.950 0.037 0.000 2.569 232 F HA -0.106 4.421 4.527 -0.000 0.000 0.295 232 F C 0.955 176.760 175.800 0.009 0.000 1.115 232 F CA 0.490 58.504 58.000 0.023 0.000 1.450 232 F CB 0.430 39.444 39.000 0.025 0.000 1.107 232 F HN -0.700 7.828 8.300 0.547 0.100 0.563 233 L N 0.000 121.340 121.223 0.195 0.000 2.949 233 L HA 0.000 4.340 4.340 0.000 0.000 0.249 233 L CA 0.000 54.903 54.840 0.105 0.000 0.813 233 L CB 0.000 42.110 42.059 0.085 0.000 0.961 233 L HN 0.000 8.239 8.230 0.229 0.129 0.502