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 3om1_1_A DATA FIRST_RESID 3 DATA SEQUENCE SSLRMAAILD DQTVcGRGER LALALAREQI NGIIEVPAKA RVEVDIFELQ DATA SEQUENCE RDSQYETTDT McQILPKGVV SVLGPSSSPA SASTVSHICG EKEIPHIKVG DATA SEQUENCE PEETPRLQYL RFASVSLYPS NEDVSLAVSR ILKSFNYPSA SLIcAKAEcL DATA SEQUENCE LRLEELVRGF LISKETLSVR MLDDXRDPTP LLKEIRDDKV STIIIDANAS DATA SEQUENCE ISHLVLRKAS ELGMTSAFYK YILTTMDFPI LHLDGIVEDS SNILGFSMFN DATA SEQUENCE TSHPFYPEFV RSLNMSWREN cEASTYPGPA LSAALMFDAV HVVVSAVREL DATA SEQUENCE NRSQEIGVKP LAcTSANIWP HGTSLMNYLR MVEYDGLTGR VEFNSKGQRT DATA SEQUENCE NYTLRILEKS RQGHREIGVW YSNR 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 3 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 3 S C 0.000 174.591 174.600 -0.015 0.000 1.055 3 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 3 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 4 S N 0.318 116.007 115.700 -0.019 0.000 2.618 4 S HA 0.292 4.810 4.470 -0.027 -0.064 0.277 4 S C -1.644 172.937 174.600 -0.033 0.000 1.138 4 S CA -0.608 57.576 58.200 -0.027 0.000 0.844 4 S CB 2.607 65.791 63.200 -0.028 0.000 1.127 4 S HN -0.722 7.577 8.310 -0.017 0.000 0.474 5 L N 2.581 123.780 121.223 -0.040 0.000 2.314 5 L HA 0.242 4.557 4.340 -0.042 0.000 0.275 5 L C -1.871 174.964 176.870 -0.057 0.000 1.068 5 L CA -0.699 54.113 54.840 -0.047 0.000 0.894 5 L CB 0.779 42.808 42.059 -0.050 0.000 1.275 5 L HN 0.413 8.618 8.230 -0.042 0.000 0.432 6 R N 7.584 128.044 120.500 -0.066 0.000 2.338 6 R HA 0.550 5.049 4.340 -0.052 -0.190 0.317 6 R C -1.194 175.059 176.300 -0.079 0.000 0.968 6 R CA -1.216 54.846 56.100 -0.064 0.000 0.849 6 R CB 2.276 32.541 30.300 -0.059 0.000 1.128 6 R HN 0.269 8.494 8.270 -0.074 0.000 0.448 7 M N 3.055 122.624 119.600 -0.052 0.000 2.690 7 M HA 0.727 5.232 4.480 -0.077 -0.071 0.302 7 M C -2.631 173.673 176.300 0.007 0.000 1.234 7 M CA -1.373 53.900 55.300 -0.046 0.000 0.853 7 M CB 5.140 37.716 32.600 -0.040 0.000 1.748 7 M HN 0.375 8.641 8.290 -0.040 0.000 0.469 8 A N -2.692 120.141 122.820 0.021 0.000 2.355 8 A HA 0.988 5.599 4.320 0.179 -0.184 0.324 8 A C -2.258 175.389 177.584 0.105 0.000 1.117 8 A CA -2.268 49.837 52.037 0.113 0.000 0.785 8 A CB 3.522 22.562 19.000 0.066 0.000 1.254 8 A HN 0.103 8.247 8.150 -0.011 0.000 0.453 9 A N 1.380 124.306 122.820 0.178 0.000 2.356 9 A HA 0.860 5.410 4.320 0.112 -0.163 0.310 9 A C -2.215 175.484 177.584 0.192 0.000 1.075 9 A CA -1.958 50.165 52.037 0.144 0.000 0.746 9 A CB 3.036 22.106 19.000 0.117 0.000 1.221 9 A HN 0.649 8.949 8.150 0.250 0.000 0.443 10 I N 3.221 123.872 120.570 0.135 0.000 2.339 10 I HA 0.606 5.073 4.170 0.187 -0.186 0.290 10 I C -1.260 174.924 176.117 0.112 0.000 0.994 10 I CA -1.061 60.317 61.300 0.130 0.000 1.191 10 I CB 1.472 39.508 38.000 0.059 0.000 1.343 10 I HN 0.457 8.734 8.210 0.111 0.000 0.458 11 L N 6.067 127.357 121.223 0.112 0.000 2.329 11 L HA 0.478 4.874 4.340 0.092 0.000 0.279 11 L C -0.924 175.991 176.870 0.075 0.000 1.014 11 L CA -1.255 53.640 54.840 0.092 0.000 0.814 11 L CB 2.607 44.718 42.059 0.087 0.000 1.257 11 L HN 0.545 8.851 8.230 0.126 0.000 0.424 12 D N -1.644 118.796 120.400 0.067 0.000 2.501 12 D HA 0.080 4.751 4.640 0.051 0.000 0.226 12 D C -0.560 175.773 176.300 0.054 0.000 1.198 12 D CA -1.515 52.517 54.000 0.054 0.000 0.830 12 D CB 0.296 41.122 40.800 0.044 0.000 1.014 12 D HN 0.297 8.709 8.370 0.070 0.000 0.496 13 D N -0.653 119.784 120.400 0.063 0.000 2.175 13 D HA 0.069 4.750 4.640 0.067 0.000 0.248 13 D C -0.306 176.025 176.300 0.051 0.000 1.047 13 D CA -0.604 53.436 54.000 0.067 0.000 0.883 13 D CB 1.575 42.427 40.800 0.087 0.000 1.180 13 D HN -0.257 8.082 8.370 0.067 0.070 0.438 14 Q N 2.334 122.160 119.800 0.043 0.000 2.428 14 Q HA -0.114 4.235 4.340 0.014 0.000 0.276 14 Q C 1.573 177.581 176.000 0.013 0.000 1.059 14 Q CA 0.464 56.279 55.803 0.019 0.000 0.923 14 Q CB 0.522 29.263 28.738 0.005 0.000 1.283 14 Q HN 0.155 8.454 8.270 0.049 0.000 0.447 15 T N 0.660 115.210 114.554 -0.007 0.000 2.737 15 T HA -0.197 4.152 4.350 -0.002 0.000 0.265 15 T C -0.083 174.595 174.700 -0.036 0.000 1.038 15 T CA 2.269 64.360 62.100 -0.015 0.000 1.144 15 T CB -0.057 68.797 68.868 -0.024 0.000 0.866 15 T HN 0.099 8.332 8.240 -0.012 0.000 0.434 16 V N -2.576 117.294 119.914 -0.072 0.000 2.823 16 V HA 0.136 4.178 4.120 -0.130 0.000 0.312 16 V C -0.359 175.608 176.094 -0.212 0.000 1.072 16 V CA -1.356 60.860 62.300 -0.140 0.000 0.937 16 V CB 2.160 33.889 31.823 -0.156 0.000 1.013 16 V HN -0.568 7.580 8.190 -0.070 0.000 0.430 17 c N 0.713 119.071 118.600 -0.402 0.000 4.400 17 c HA -0.350 3.425 4.570 -1.325 0.000 0.275 17 c C -0.119 173.859 174.090 -0.187 0.000 1.391 17 c CA 0.469 56.415 56.329 -0.638 0.000 1.816 17 c CB -1.683 40.553 42.510 -0.456 0.000 1.404 17 c HN 0.641 8.599 8.230 -0.452 0.000 0.754 18 G N -2.627 106.163 108.800 -0.017 0.000 2.574 18 G HA2 0.143 4.169 3.960 0.109 0.000 0.248 18 G HA3 0.143 4.152 3.960 0.082 0.000 0.248 18 G C -0.663 174.386 174.900 0.249 0.000 1.422 18 G CA -0.596 44.572 45.100 0.113 0.000 1.051 18 G HN -0.462 7.743 8.290 -0.049 0.056 0.560 19 R N -0.808 119.812 120.500 0.201 0.000 2.297 19 R HA -0.041 4.455 4.340 0.261 0.000 0.197 19 R C 0.103 176.536 176.300 0.221 0.000 0.943 19 R CA 0.451 56.686 56.100 0.225 0.000 1.038 19 R CB 0.798 31.210 30.300 0.187 0.000 0.957 19 R HN 0.042 8.916 8.270 0.158 -0.509 0.484 20 G N -2.402 106.509 108.800 0.185 0.000 2.147 20 G HA2 -0.431 3.600 3.960 0.118 0.000 0.244 20 G HA3 -0.431 3.611 3.960 0.136 0.000 0.244 20 G C 0.357 175.347 174.900 0.150 0.000 1.005 20 G CA 0.323 45.509 45.100 0.144 0.000 0.713 20 G HN 0.224 8.627 8.290 0.166 -0.012 0.515 21 E N 0.445 120.743 120.200 0.163 0.000 2.106 21 E HA -0.472 4.017 4.350 0.231 0.000 0.192 21 E C 1.468 178.165 176.600 0.162 0.000 0.984 21 E CA 3.610 60.121 56.400 0.184 0.000 0.806 21 E CB -0.177 29.621 29.700 0.162 0.000 0.750 21 E HN -0.415 8.322 8.360 0.152 -0.285 0.458 22 R N -0.657 119.912 120.500 0.117 0.000 2.081 22 R HA -0.270 4.126 4.340 0.093 0.000 0.235 22 R C 1.612 177.974 176.300 0.104 0.000 1.131 22 R CA 3.261 59.417 56.100 0.092 0.000 0.960 22 R CB -0.595 29.738 30.300 0.056 0.000 0.856 22 R HN 0.077 8.410 8.270 0.104 0.000 0.436 23 L N -2.360 118.922 121.223 0.098 0.000 2.046 23 L HA -0.220 4.173 4.340 0.087 0.000 0.208 23 L C 1.377 178.354 176.870 0.179 0.000 1.077 23 L CA 2.621 57.520 54.840 0.097 0.000 0.747 23 L CB -0.682 41.402 42.059 0.042 0.000 0.896 23 L HN -0.435 7.848 8.230 0.088 0.000 0.432 24 A N -0.982 121.982 122.820 0.240 0.000 1.902 24 A HA -0.340 4.325 4.320 0.576 0.000 0.217 24 A C 2.157 180.023 177.584 0.471 0.000 1.181 24 A CA 3.119 55.447 52.037 0.485 0.000 0.623 24 A CB -0.848 18.514 19.000 0.603 0.000 0.818 24 A HN -0.241 8.033 8.150 0.206 0.000 0.443 25 L N -2.391 119.004 121.223 0.287 0.000 2.046 25 L HA -0.421 4.025 4.340 0.178 0.000 0.208 25 L C 2.110 179.063 176.870 0.138 0.000 1.077 25 L CA 3.114 58.064 54.840 0.184 0.000 0.747 25 L CB -0.372 41.761 42.059 0.123 0.000 0.896 25 L HN -0.353 8.024 8.230 0.246 0.000 0.432 26 A N -0.868 122.038 122.820 0.144 0.000 1.930 26 A HA -0.266 4.094 4.320 0.068 0.000 0.217 26 A C 2.128 179.802 177.584 0.150 0.000 1.175 26 A CA 2.985 55.087 52.037 0.108 0.000 0.627 26 A CB -0.820 18.234 19.000 0.090 0.000 0.815 26 A HN -0.546 7.614 8.150 0.152 0.081 0.443 27 L N -1.927 119.458 121.223 0.270 0.000 2.046 27 L HA -0.377 4.151 4.340 0.313 0.000 0.208 27 L C 2.041 179.096 176.870 0.308 0.000 1.077 27 L CA 3.075 58.147 54.840 0.387 0.000 0.747 27 L CB -0.595 41.858 42.059 0.657 0.000 0.896 27 L HN -0.111 8.303 8.230 0.306 0.000 0.432 28 A N -1.340 121.601 122.820 0.202 0.000 1.877 28 A HA -0.366 3.652 4.320 -0.504 0.000 0.216 28 A C 1.678 179.105 177.584 -0.262 0.000 1.186 28 A CA 3.191 55.037 52.037 -0.318 0.000 0.620 28 A CB -0.989 17.680 19.000 -0.552 0.000 0.822 28 A HN -0.168 8.161 8.150 0.299 0.000 0.443 29 R N -1.298 119.123 120.500 -0.130 0.000 2.081 29 R HA -0.352 3.882 4.340 -0.176 0.000 0.235 29 R C 1.750 178.006 176.300 -0.074 0.000 1.131 29 R CA 3.363 59.393 56.100 -0.118 0.000 0.960 29 R CB -0.106 30.158 30.300 -0.059 0.000 0.856 29 R HN -0.419 7.814 8.270 -0.061 0.000 0.436 30 E N -0.880 119.313 120.200 -0.011 0.000 2.072 30 E HA -0.357 3.998 4.350 0.009 0.000 0.191 30 E C 2.053 178.655 176.600 0.004 0.000 0.985 30 E CA 3.032 59.443 56.400 0.018 0.000 0.801 30 E CB -0.342 29.402 29.700 0.073 0.000 0.750 30 E HN -0.337 8.035 8.360 0.021 0.000 0.452 31 Q N -0.472 119.317 119.800 -0.019 0.000 2.079 31 Q HA -0.250 4.092 4.340 0.003 0.000 0.200 31 Q C 2.747 178.721 176.000 -0.042 0.000 0.974 31 Q CA 2.851 58.634 55.803 -0.033 0.000 0.840 31 Q CB 0.053 28.731 28.738 -0.100 0.000 0.898 31 Q HN -0.537 7.721 8.270 -0.020 0.000 0.430 32 I N -1.924 118.571 120.570 -0.125 0.000 2.286 32 I HA -0.432 3.679 4.170 -0.099 0.000 0.245 32 I C 2.060 178.130 176.117 -0.079 0.000 1.104 32 I CA 3.506 64.721 61.300 -0.141 0.000 1.397 32 I CB 0.072 37.901 38.000 -0.286 0.000 1.072 32 I HN -0.391 7.712 8.210 -0.179 0.000 0.417 33 N N -1.586 117.072 118.700 -0.069 0.000 2.396 33 N HA -0.166 4.548 4.740 -0.044 0.000 0.180 33 N C 1.322 176.823 175.510 -0.015 0.000 1.028 33 N CA 1.841 54.867 53.050 -0.041 0.000 0.893 33 N CB -0.118 38.347 38.487 -0.036 0.000 0.967 33 N HN -0.244 8.090 8.380 -0.078 0.000 0.440 34 G N -1.923 106.874 108.800 -0.004 0.000 2.572 34 G HA2 -0.096 3.873 3.960 0.017 0.000 0.216 34 G HA3 -0.096 3.880 3.960 0.027 0.000 0.216 34 G C -0.027 174.885 174.900 0.020 0.000 1.133 34 G CA -0.152 44.958 45.100 0.016 0.000 0.791 34 G HN -0.633 7.405 8.290 -0.010 0.246 0.538 35 I N 1.695 122.274 120.570 0.014 0.000 2.618 35 I HA -0.239 3.949 4.170 0.030 0.000 0.284 35 I C -0.011 176.115 176.117 0.014 0.000 1.146 35 I CA -0.746 60.566 61.300 0.021 0.000 1.425 35 I CB -0.279 37.734 38.000 0.021 0.000 1.383 35 I HN -0.895 7.290 8.210 0.005 0.028 0.562 36 I N 8.118 128.699 120.570 0.019 0.000 2.337 36 I HA -0.016 4.161 4.170 0.011 0.000 0.291 36 I C -0.344 175.780 176.117 0.013 0.000 1.046 36 I CA 0.047 61.356 61.300 0.015 0.000 1.324 36 I CB -0.249 37.761 38.000 0.017 0.000 1.409 36 I HN 0.016 8.240 8.210 0.023 0.000 0.494 37 E N 8.081 128.286 120.200 0.008 0.000 2.272 37 E HA 0.329 4.685 4.350 0.009 0.000 0.269 37 E C -1.786 174.817 176.600 0.005 0.000 0.877 37 E CA -0.967 55.437 56.400 0.007 0.000 0.755 37 E CB 3.057 32.759 29.700 0.004 0.000 1.192 37 E HN 0.291 8.655 8.360 0.006 0.000 0.422 38 V N 3.057 122.974 119.914 0.005 0.000 2.443 38 V HA 0.285 4.483 4.120 0.003 -0.077 0.293 38 V C -1.834 174.262 176.094 0.004 0.000 1.021 38 V CA -2.277 60.026 62.300 0.004 0.000 0.848 38 V CB 1.667 33.494 31.823 0.006 0.000 0.998 38 V HN 0.309 8.503 8.190 0.007 0.000 0.424 39 P HA 0.157 4.577 4.420 0.001 0.000 0.272 39 P C -1.769 175.530 177.300 -0.002 0.000 1.223 39 P CA -0.457 62.643 63.100 -0.000 0.000 0.784 39 P CB 0.749 32.448 31.700 -0.002 0.000 0.923 40 A N 1.855 124.673 122.820 -0.002 0.000 2.524 40 A HA -0.135 4.338 4.320 -0.004 -0.155 0.250 40 A C 0.476 178.054 177.584 -0.009 0.000 1.078 40 A CA 0.309 52.343 52.037 -0.005 0.000 0.761 40 A CB 0.578 19.576 19.000 -0.004 0.000 1.012 40 A HN 0.046 8.195 8.150 -0.002 0.000 0.500 41 K N 2.487 122.880 120.400 -0.012 0.000 2.120 41 K HA -0.027 4.283 4.320 -0.016 0.000 0.245 41 K C -0.395 176.193 176.600 -0.021 0.000 1.024 41 K CA -0.422 55.855 56.287 -0.017 0.000 0.906 41 K CB 0.820 33.308 32.500 -0.020 0.000 1.051 41 K HN 0.035 8.278 8.250 -0.011 0.000 0.491 42 A N 0.972 123.777 122.820 -0.025 0.000 2.540 42 A HA -0.126 4.181 4.320 -0.022 0.000 0.239 42 A C -0.241 177.323 177.584 -0.033 0.000 1.061 42 A CA 0.300 52.321 52.037 -0.027 0.000 0.758 42 A CB 0.562 19.545 19.000 -0.028 0.000 0.991 42 A HN 0.144 8.279 8.150 -0.026 0.000 0.502 43 R N 3.414 123.895 120.500 -0.031 0.000 2.543 43 R HA 0.021 4.446 4.340 -0.038 -0.109 0.277 43 R C -0.604 175.668 176.300 -0.046 0.000 1.074 43 R CA -0.119 55.959 56.100 -0.036 0.000 1.076 43 R CB 1.062 31.346 30.300 -0.028 0.000 0.993 43 R HN 0.423 8.677 8.270 -0.026 0.000 0.459 44 V N 6.915 126.793 119.914 -0.060 0.000 2.498 44 V HA 0.219 4.478 4.120 -0.070 -0.181 0.279 44 V C -0.839 175.219 176.094 -0.060 0.000 1.048 44 V CA 0.257 62.513 62.300 -0.073 0.000 0.967 44 V CB 0.715 32.472 31.823 -0.110 0.000 0.988 44 V HN 0.215 8.712 8.190 -0.063 -0.345 0.473 45 E N 7.474 127.642 120.200 -0.053 0.000 2.266 45 E HA 0.402 4.729 4.350 -0.039 0.000 0.268 45 E C -1.915 174.663 176.600 -0.036 0.000 0.879 45 E CA -2.236 54.140 56.400 -0.041 0.000 0.762 45 E CB 3.924 33.604 29.700 -0.033 0.000 1.199 45 E HN 0.176 8.502 8.360 -0.055 0.000 0.422 46 V N 4.309 124.208 119.914 -0.025 0.000 2.380 46 V HA 0.365 4.682 4.120 0.000 -0.197 0.286 46 V C -1.186 174.908 176.094 0.000 0.000 1.015 46 V CA -1.516 60.781 62.300 -0.006 0.000 0.834 46 V CB 1.619 33.440 31.823 -0.003 0.000 1.009 46 V HN 0.285 8.459 8.190 -0.026 0.000 0.428 47 D N 8.695 129.114 120.400 0.032 0.000 2.348 47 D HA 0.090 4.681 4.640 -0.081 0.000 0.253 47 D C -1.542 174.768 176.300 0.016 0.000 1.161 47 D CA 0.164 54.168 54.000 0.006 0.000 0.876 47 D CB 1.312 42.198 40.800 0.144 0.000 1.160 47 D HN 0.045 8.448 8.370 0.055 0.000 0.459 48 I N 1.194 121.640 120.570 -0.207 0.000 2.378 48 I HA 0.392 4.774 4.170 0.075 -0.167 0.291 48 I C -0.555 175.324 176.117 -0.397 0.000 0.992 48 I CA -0.757 60.471 61.300 -0.120 0.000 1.154 48 I CB 2.104 40.067 38.000 -0.061 0.000 1.315 48 I HN 0.124 8.156 8.210 -0.296 0.000 0.448 49 F N 7.028 126.981 119.950 0.004 0.000 2.507 49 F HA 0.318 4.846 4.527 0.001 0.000 0.325 49 F C -1.079 174.726 175.800 0.009 0.000 1.116 49 F CA -1.317 56.684 58.000 0.002 0.000 0.930 49 F CB 3.183 42.180 39.000 -0.005 0.000 1.146 49 F HN 0.635 9.146 8.300 0.352 0.000 0.447 50 E N 2.582 122.862 120.200 0.133 0.000 2.191 50 E HA 0.470 5.034 4.350 0.094 -0.158 0.278 50 E C -0.908 175.747 176.600 0.092 0.000 0.972 50 E CA -1.240 55.215 56.400 0.091 0.000 0.804 50 E CB 2.512 32.239 29.700 0.046 0.000 1.110 50 E HN 0.162 8.583 8.360 0.101 0.000 0.394 51 L N 3.831 125.099 121.223 0.074 0.000 2.276 51 L HA 0.076 4.452 4.340 0.061 0.000 0.286 51 L C 0.158 177.054 176.870 0.044 0.000 1.061 51 L CA -0.593 54.282 54.840 0.057 0.000 0.807 51 L CB 0.403 42.490 42.059 0.046 0.000 1.177 51 L HN 0.614 8.887 8.230 0.072 0.000 0.429 52 Q N 2.627 122.452 119.800 0.040 0.000 2.425 52 Q HA 0.010 4.368 4.340 0.029 0.000 0.204 52 Q C 0.196 176.214 176.000 0.029 0.000 0.933 52 Q CA 0.054 55.876 55.803 0.032 0.000 0.939 52 Q CB 0.497 29.253 28.738 0.030 0.000 1.044 52 Q HN 0.444 9.148 8.270 0.044 -0.407 0.513 53 R N -4.277 116.240 120.500 0.029 0.000 2.824 53 R HA 0.173 4.525 4.340 0.020 0.000 0.267 53 R C -2.620 173.688 176.300 0.014 0.000 1.035 53 R CA -1.038 55.075 56.100 0.023 0.000 0.887 53 R CB 0.869 31.185 30.300 0.026 0.000 1.262 53 R HN -0.509 7.882 8.270 0.032 -0.102 0.487 54 D N 2.175 122.577 120.400 0.004 0.000 2.508 54 D HA 0.178 4.812 4.640 -0.010 0.000 0.224 54 D C -0.820 175.460 176.300 -0.034 0.000 1.171 54 D CA 0.221 54.214 54.000 -0.011 0.000 1.006 54 D CB -0.776 40.019 40.800 -0.009 0.000 1.073 54 D HN 0.217 8.590 8.370 0.006 0.000 0.513 55 S N 2.720 118.392 115.700 -0.048 0.000 2.572 55 S HA 0.226 4.612 4.470 -0.139 0.000 0.274 55 S C -0.218 174.290 174.600 -0.153 0.000 1.150 55 S CA -1.847 56.290 58.200 -0.105 0.000 0.944 55 S CB 1.667 64.844 63.200 -0.038 0.000 1.071 55 S HN -0.703 7.586 8.310 -0.035 0.000 0.479 56 Q N 8.763 128.387 119.800 -0.293 0.000 2.152 56 Q HA -0.285 3.958 4.340 -0.162 0.000 0.206 56 Q C 1.083 176.978 176.000 -0.176 0.000 0.985 56 Q CA 3.355 58.998 55.803 -0.267 0.000 0.863 56 Q CB -0.049 28.477 28.738 -0.353 0.000 0.904 56 Q HN 0.775 8.829 8.270 -0.360 0.000 0.422 57 Y N -2.771 117.523 120.300 -0.010 0.000 2.133 57 Y HA -0.323 4.220 4.550 -0.012 0.000 0.287 57 Y C 2.278 178.173 175.900 -0.008 0.000 1.134 57 Y CA 1.971 60.065 58.100 -0.009 0.000 1.133 57 Y CB -0.764 37.693 38.460 -0.006 0.000 0.987 57 Y HN -0.597 7.350 8.280 -0.531 0.015 0.502 58 E N -0.164 120.118 120.200 0.137 0.000 2.077 58 E HA -0.358 4.043 4.350 0.085 0.000 0.193 58 E C 2.373 178.995 176.600 0.036 0.000 0.989 58 E CA 2.899 59.346 56.400 0.078 0.000 0.800 58 E CB -0.182 29.555 29.700 0.060 0.000 0.746 58 E HN -0.252 8.185 8.360 0.128 0.000 0.452 59 T N 1.906 116.464 114.554 0.007 0.000 2.821 59 T HA -0.327 4.012 4.350 -0.019 0.000 0.267 59 T C 2.103 176.785 174.700 -0.030 0.000 1.046 59 T CA 4.706 66.793 62.100 -0.021 0.000 1.139 59 T CB -0.110 68.734 68.868 -0.041 0.000 0.871 59 T HN -0.029 8.209 8.240 -0.004 0.000 0.454 60 T N 3.881 118.431 114.554 -0.007 0.000 2.708 60 T HA -0.436 3.903 4.350 -0.017 0.000 0.266 60 T C 1.499 176.196 174.700 -0.005 0.000 1.037 60 T CA 5.576 67.676 62.100 -0.000 0.000 1.146 60 T CB -0.172 68.719 68.868 0.038 0.000 0.865 60 T HN 0.074 8.317 8.240 0.005 0.000 0.435 61 D N 1.318 121.729 120.400 0.019 0.000 2.133 61 D HA -0.255 4.392 4.640 0.011 0.000 0.195 61 D C 2.279 178.567 176.300 -0.020 0.000 0.997 61 D CA 3.587 57.594 54.000 0.012 0.000 0.840 61 D CB -0.497 40.324 40.800 0.035 0.000 0.947 61 D HN -0.373 8.022 8.370 0.041 0.000 0.452 62 T N 2.496 117.029 114.554 -0.036 0.000 2.708 62 T HA -0.348 3.967 4.350 -0.059 0.000 0.266 62 T C 1.599 176.159 174.700 -0.232 0.000 1.037 62 T CA 4.043 66.085 62.100 -0.097 0.000 1.146 62 T CB 0.149 68.977 68.868 -0.067 0.000 0.865 62 T HN -0.316 7.906 8.240 -0.020 0.006 0.435 63 M N 0.600 120.091 119.600 -0.181 0.000 2.202 63 M HA -0.353 3.961 4.480 -0.277 0.000 0.262 63 M C 1.595 177.795 176.300 -0.166 0.000 1.063 63 M CA 2.010 57.189 55.300 -0.202 0.000 1.097 63 M CB -1.412 31.107 32.600 -0.136 0.000 1.382 63 M HN -0.358 7.854 8.290 -0.130 0.000 0.413 64 c N -3.771 114.767 118.600 -0.104 0.000 2.446 64 c HA -0.067 4.464 4.570 -0.065 0.000 0.279 64 c C 2.050 176.095 174.090 -0.075 0.000 1.366 64 c CA 1.397 57.685 56.329 -0.069 0.000 1.763 64 c CB -1.984 40.508 42.510 -0.029 0.000 1.929 64 c HN -0.360 7.713 8.230 -0.084 0.107 0.509 65 Q N -0.892 118.849 119.800 -0.098 0.000 2.187 65 Q HA -0.096 4.242 4.340 -0.003 0.000 0.199 65 Q C 1.092 177.015 176.000 -0.129 0.000 0.957 65 Q CA 2.008 57.780 55.803 -0.053 0.000 0.857 65 Q CB 0.148 28.912 28.738 0.044 0.000 0.929 65 Q HN -0.574 7.518 8.270 -0.116 0.109 0.453 66 I N -1.131 119.231 120.570 -0.347 0.000 2.233 66 I HA -0.448 3.488 4.170 -0.391 0.000 0.243 66 I C 2.032 178.035 176.117 -0.189 0.000 1.093 66 I CA 3.492 64.550 61.300 -0.403 0.000 1.380 66 I CB 0.199 37.850 38.000 -0.581 0.000 1.067 66 I HN -0.669 7.210 8.210 -0.380 0.103 0.413 67 L N -0.997 120.130 121.223 -0.160 0.000 2.042 67 L HA -0.226 4.031 4.340 -0.138 0.000 0.210 67 L C -0.617 176.202 176.870 -0.086 0.000 1.076 67 L CA 5.449 60.218 54.840 -0.118 0.000 0.749 67 L CB -2.980 39.026 42.059 -0.088 0.000 0.893 67 L HN -0.445 7.686 8.230 -0.165 0.000 0.432 68 P HA -0.059 4.456 4.420 -0.035 -0.116 0.237 68 P C 0.230 177.511 177.300 -0.031 0.000 1.178 68 P CA 1.369 64.448 63.100 -0.035 0.000 0.766 68 P CB -0.336 31.355 31.700 -0.015 0.000 0.876 69 K N -4.038 116.340 120.400 -0.036 0.000 2.400 69 K HA 0.060 4.376 4.320 -0.006 0.000 0.194 69 K C -0.041 176.524 176.600 -0.058 0.000 1.033 69 K CA 0.226 56.502 56.287 -0.018 0.000 1.021 69 K CB 0.252 32.774 32.500 0.037 0.000 0.808 69 K HN -0.216 7.944 8.250 -0.049 0.060 0.505 70 G N -0.211 108.524 108.800 -0.109 0.000 2.587 70 G HA2 -0.333 3.498 3.960 -0.215 0.000 0.274 70 G HA3 -0.333 3.549 3.960 -0.130 0.000 0.274 70 G C -1.630 173.131 174.900 -0.231 0.000 1.046 70 G CA 0.099 45.096 45.100 -0.171 0.000 1.308 70 G HN -0.622 7.565 8.290 -0.115 0.034 0.529 71 V N -3.985 115.739 119.914 -0.317 0.000 2.881 71 V HA 0.668 4.806 4.120 -0.247 -0.166 0.316 71 V C -0.945 174.806 176.094 -0.572 0.000 1.070 71 V CA -2.940 59.169 62.300 -0.319 0.000 0.976 71 V CB 3.085 34.784 31.823 -0.206 0.000 1.038 71 V HN -0.675 7.314 8.190 -0.336 0.000 0.446 72 V N -5.521 114.130 119.914 -0.438 0.000 3.590 72 V HA 0.237 3.682 4.120 -1.126 0.000 0.265 72 V C -0.839 175.145 176.094 -0.184 0.000 1.239 72 V CA -0.013 61.988 62.300 -0.498 0.000 1.117 72 V CB 0.786 32.530 31.823 -0.131 0.000 0.818 72 V HN 0.257 8.278 8.190 -0.280 0.000 0.451 73 S N -2.667 112.950 115.700 -0.139 0.000 2.597 73 S HA 0.429 5.043 4.470 -0.013 -0.152 0.274 73 S C -2.188 172.385 174.600 -0.045 0.000 1.132 73 S CA -0.281 57.895 58.200 -0.039 0.000 0.835 73 S CB 3.387 66.590 63.200 0.006 0.000 1.092 73 S HN -0.725 7.485 8.310 -0.167 0.000 0.457 74 V N 1.233 121.145 119.914 -0.004 0.000 2.540 74 V HA 0.538 4.847 4.120 -0.011 -0.196 0.302 74 V C -1.884 174.280 176.094 0.117 0.000 1.035 74 V CA -1.406 60.896 62.300 0.004 0.000 0.873 74 V CB 2.568 34.339 31.823 -0.088 0.000 0.992 74 V HN 0.187 8.392 8.190 0.026 0.000 0.428 75 L N 5.230 126.513 121.223 0.101 0.000 2.307 75 L HA 0.693 5.285 4.340 0.132 -0.173 0.284 75 L C 0.196 177.154 176.870 0.148 0.000 1.023 75 L CA -1.572 53.342 54.840 0.123 0.000 0.810 75 L CB 1.018 43.128 42.059 0.084 0.000 1.231 75 L HN 0.485 8.759 8.230 0.074 0.000 0.423 76 G N 2.397 111.300 108.800 0.171 0.000 2.681 76 G HA2 -0.307 3.721 3.960 0.114 0.000 0.220 76 G HA3 -0.307 3.727 3.960 0.123 0.000 0.220 76 G C -2.749 172.280 174.900 0.215 0.000 1.353 76 G CA -0.746 44.446 45.100 0.154 0.000 0.872 76 G HN 0.022 8.398 8.290 0.143 0.000 0.557 77 P HA 0.271 4.939 4.420 0.088 -0.195 0.274 77 P C -0.048 177.288 177.300 0.060 0.000 1.246 77 P CA -0.856 62.293 63.100 0.082 0.000 0.795 77 P CB 1.265 33.000 31.700 0.058 0.000 1.006 78 S N -2.060 113.672 115.700 0.053 0.000 2.478 78 S HA -0.046 4.434 4.470 0.017 0.000 0.222 78 S C 1.074 175.669 174.600 -0.009 0.000 1.008 78 S CA 1.661 59.879 58.200 0.030 0.000 0.928 78 S CB 0.359 63.599 63.200 0.066 0.000 0.781 78 S HN 0.356 8.704 8.310 0.063 0.000 0.518 79 S N 1.357 117.061 115.700 0.006 0.000 2.901 79 S HA 0.272 4.721 4.470 -0.035 0.000 0.248 79 S C -1.360 173.237 174.600 -0.005 0.000 1.021 79 S CA 0.113 58.309 58.200 -0.008 0.000 1.090 79 S CB 0.646 63.857 63.200 0.017 0.000 1.039 79 S HN -0.367 8.203 8.310 0.022 -0.247 0.514 80 S N 1.442 117.138 115.700 -0.007 0.000 2.356 80 S HA 0.392 4.857 4.470 -0.008 0.000 0.171 80 S C -2.053 172.541 174.600 -0.010 0.000 1.399 80 S CA -2.092 56.105 58.200 -0.005 0.000 1.225 80 S CB 0.564 63.767 63.200 0.006 0.000 1.271 80 S HN -0.510 7.794 8.310 -0.009 0.000 0.427 81 P HA -0.196 4.208 4.420 -0.026 0.000 0.216 81 P C 0.609 177.901 177.300 -0.014 0.000 1.150 81 P CA 2.440 65.526 63.100 -0.024 0.000 0.837 81 P CB 0.282 31.961 31.700 -0.034 0.000 0.786 82 A N -3.090 119.718 122.820 -0.019 0.000 1.877 82 A HA -0.235 4.071 4.320 -0.024 0.000 0.216 82 A C 2.314 179.881 177.584 -0.028 0.000 1.186 82 A CA 2.941 54.962 52.037 -0.026 0.000 0.620 82 A CB -1.047 17.930 19.000 -0.037 0.000 0.822 82 A HN 0.103 8.241 8.150 -0.020 0.000 0.443 83 S N -0.340 115.346 115.700 -0.023 0.000 2.383 83 S HA -0.311 4.136 4.470 -0.039 0.000 0.227 83 S C 1.994 176.591 174.600 -0.006 0.000 1.026 83 S CA 2.990 61.176 58.200 -0.023 0.000 0.981 83 S CB -0.598 62.594 63.200 -0.014 0.000 0.818 83 S HN -0.516 7.981 8.310 -0.019 -0.199 0.472 84 A N 1.948 124.784 122.820 0.027 0.000 1.940 84 A HA -0.280 4.126 4.320 0.143 0.000 0.219 84 A C 1.889 179.535 177.584 0.103 0.000 1.176 84 A CA 2.985 55.085 52.037 0.105 0.000 0.631 84 A CB -0.901 18.155 19.000 0.094 0.000 0.814 84 A HN 0.100 8.262 8.150 0.020 0.000 0.446 85 S N -1.345 114.376 115.700 0.035 0.000 2.383 85 S HA -0.340 4.144 4.470 0.025 0.000 0.227 85 S C 2.312 176.919 174.600 0.011 0.000 1.026 85 S CA 3.569 61.779 58.200 0.017 0.000 0.981 85 S CB -0.075 63.124 63.200 -0.001 0.000 0.818 85 S HN -0.252 8.068 8.310 0.017 0.000 0.472 86 T N 5.364 119.911 114.554 -0.011 0.000 2.746 86 T HA -0.411 3.944 4.350 0.009 0.000 0.267 86 T C 1.402 176.082 174.700 -0.033 0.000 1.039 86 T CA 5.284 67.375 62.100 -0.015 0.000 1.142 86 T CB -0.155 68.684 68.868 -0.048 0.000 0.866 86 T HN -0.620 7.527 8.240 -0.020 0.082 0.444 87 V N 1.876 121.717 119.914 -0.120 0.000 2.343 87 V HA -0.568 3.409 4.120 -0.237 0.000 0.247 87 V C 1.598 177.483 176.094 -0.348 0.000 1.051 87 V CA 4.806 66.926 62.300 -0.300 0.000 1.036 87 V CB -0.326 31.184 31.823 -0.522 0.000 0.654 87 V HN -0.208 7.922 8.190 -0.101 0.000 0.451 88 S N -0.257 115.319 115.700 -0.207 0.000 2.383 88 S HA -0.307 4.132 4.470 -0.050 0.000 0.229 88 S C 2.057 176.600 174.600 -0.096 0.000 1.030 88 S CA 3.580 61.745 58.200 -0.057 0.000 1.002 88 S CB -0.557 62.670 63.200 0.045 0.000 0.829 88 S HN -0.304 7.942 8.310 -0.106 0.000 0.467 89 H N 3.009 122.021 119.070 -0.096 0.000 2.321 89 H HA -0.261 4.292 4.556 -0.005 0.000 0.300 89 H C 2.164 177.496 175.328 0.008 0.000 1.087 89 H CA 3.801 59.843 56.048 -0.010 0.000 1.319 89 H CB 0.128 29.929 29.762 0.064 0.000 1.379 89 H HN -0.560 7.688 8.280 0.093 0.088 0.501 90 I N -0.930 119.666 120.570 0.044 0.000 2.286 90 I HA -0.523 3.663 4.170 0.027 0.000 0.245 90 I C 1.714 177.784 176.117 -0.078 0.000 1.104 90 I CA 4.265 65.564 61.300 -0.001 0.000 1.397 90 I CB -0.053 37.952 38.000 0.009 0.000 1.072 90 I HN -0.621 7.635 8.210 0.077 0.000 0.417 91 C N -0.481 118.745 119.300 -0.122 0.000 2.413 91 C HA -0.526 3.882 4.460 -0.086 0.000 0.276 91 C C 2.389 177.329 174.990 -0.084 0.000 1.248 91 C CA 5.379 64.330 59.018 -0.111 0.000 1.742 91 C CB -0.316 27.335 27.740 -0.148 0.000 2.017 91 C HN 0.237 8.375 8.230 -0.154 0.000 0.481 92 G N -1.950 106.765 108.800 -0.143 0.000 2.408 92 G HA2 -0.285 3.575 3.960 -0.167 0.000 0.217 92 G HA3 -0.285 3.582 3.960 -0.155 0.000 0.217 92 G C 1.245 176.199 174.900 0.092 0.000 1.150 92 G CA 1.775 46.816 45.100 -0.100 0.000 0.776 92 G HN -0.032 8.153 8.290 -0.175 0.000 0.542 93 E N 0.174 120.358 120.200 -0.027 0.000 2.150 93 E HA -0.161 4.209 4.350 0.034 0.000 0.193 93 E C 1.460 178.083 176.600 0.040 0.000 0.985 93 E CA 1.942 58.340 56.400 -0.005 0.000 0.814 93 E CB -0.093 29.561 29.700 -0.076 0.000 0.752 93 E HN -0.611 7.682 8.360 -0.112 0.000 0.466 94 K N -4.325 116.096 120.400 0.036 0.000 2.374 94 K HA 0.220 4.577 4.320 0.062 0.000 0.196 94 K C -0.827 175.845 176.600 0.121 0.000 1.023 94 K CA -1.491 54.833 56.287 0.062 0.000 1.103 94 K CB 0.572 33.091 32.500 0.033 0.000 0.848 94 K HN -0.617 7.624 8.250 0.012 0.017 0.528 95 E N -3.968 116.307 120.200 0.125 0.000 2.320 95 E HA -0.434 4.011 4.350 0.158 0.000 0.234 95 E C -2.129 174.627 176.600 0.261 0.000 1.183 95 E CA 0.746 57.248 56.400 0.169 0.000 0.713 95 E CB -2.269 27.518 29.700 0.145 0.000 1.226 95 E HN -0.333 7.921 8.360 0.106 0.169 0.382 96 I N -1.194 119.487 120.570 0.185 0.000 2.378 96 I HA 0.221 4.635 4.170 0.407 0.000 0.291 96 I C -2.486 173.695 176.117 0.107 0.000 0.992 96 I CA -3.244 58.177 61.300 0.202 0.000 1.154 96 I CB 0.976 38.992 38.000 0.027 0.000 1.315 96 I HN -0.681 7.592 8.210 0.104 0.000 0.448 97 P HA -0.095 4.339 4.420 0.023 0.000 0.265 97 P C -2.068 175.271 177.300 0.065 0.000 1.193 97 P CA 0.087 63.227 63.100 0.066 0.000 0.765 97 P CB 0.543 32.292 31.700 0.081 0.000 0.823 98 H N 5.449 124.457 119.070 -0.102 0.000 2.488 98 H HA 0.495 5.163 4.556 -0.080 -0.161 0.322 98 H C -0.997 174.274 175.328 -0.096 0.000 1.078 98 H CA -2.153 53.836 56.048 -0.100 0.000 1.260 98 H CB 2.591 32.277 29.762 -0.128 0.000 1.425 98 H HN -0.213 8.099 8.280 0.053 0.000 0.471 99 I N 7.808 128.367 120.570 -0.019 0.000 2.328 99 I HA 0.283 4.470 4.170 -0.182 -0.126 0.287 99 I C -1.322 174.653 176.117 -0.237 0.000 1.012 99 I CA -2.603 58.617 61.300 -0.134 0.000 1.195 99 I CB -0.888 37.097 38.000 -0.025 0.000 1.350 99 I HN 0.612 8.923 8.210 0.169 0.000 0.464 100 K N 7.456 127.658 120.400 -0.330 0.000 2.143 100 K HA 0.267 4.400 4.320 -0.311 0.000 0.272 100 K C -0.480 176.081 176.600 -0.065 0.000 1.001 100 K CA -0.373 55.748 56.287 -0.277 0.000 0.915 100 K CB 1.483 33.799 32.500 -0.308 0.000 1.047 100 K HN 0.377 8.443 8.250 -0.307 0.000 0.458 101 V N -4.349 115.556 119.914 -0.016 0.000 3.261 101 V HA 0.294 4.477 4.120 0.105 0.000 0.330 101 V C -1.996 174.135 176.094 0.062 0.000 1.461 101 V CA -1.320 61.021 62.300 0.069 0.000 1.127 101 V CB 0.977 32.853 31.823 0.089 0.000 1.044 101 V HN 0.261 8.428 8.190 -0.037 0.000 0.499 102 G N -1.254 107.507 108.800 -0.065 0.000 2.733 102 G HA2 0.474 4.179 3.960 -0.425 0.000 0.288 102 G HA3 0.474 4.474 3.960 -0.247 -0.189 0.288 102 G C -3.193 171.393 174.900 -0.523 0.000 1.373 102 G CA -2.073 42.837 45.100 -0.318 0.000 0.895 102 G HN -0.489 7.758 8.290 -0.071 0.000 0.479 103 P HA -0.014 4.067 4.420 -0.565 0.000 0.265 103 P C -0.591 176.579 177.300 -0.217 0.000 1.187 103 P CA -0.199 62.544 63.100 -0.595 0.000 0.766 103 P CB 0.434 31.853 31.700 -0.467 0.000 0.820 104 E N 3.024 123.174 120.200 -0.083 0.000 2.398 104 E HA -0.146 4.170 4.350 -0.057 0.000 0.263 104 E C 0.016 176.591 176.600 -0.041 0.000 1.046 104 E CA -0.094 56.280 56.400 -0.045 0.000 0.908 104 E CB 0.265 29.964 29.700 -0.002 0.000 0.963 104 E HN 0.163 8.506 8.360 -0.028 0.000 0.431 105 E N 2.654 122.834 120.200 -0.034 0.000 2.452 105 E HA -0.142 4.193 4.350 -0.024 0.000 0.261 105 E C -0.935 175.660 176.600 -0.007 0.000 0.987 105 E CA 0.584 56.971 56.400 -0.021 0.000 0.926 105 E CB 0.201 29.892 29.700 -0.015 0.000 0.934 105 E HN 0.278 8.616 8.360 -0.037 0.000 0.452 106 T N 5.657 120.210 114.554 -0.002 0.000 3.031 106 T HA 0.261 4.618 4.350 0.012 0.000 0.305 106 T C -2.653 172.054 174.700 0.011 0.000 0.985 106 T CA -2.595 59.510 62.100 0.008 0.000 1.008 106 T CB 1.545 70.418 68.868 0.009 0.000 1.005 106 T HN 0.081 8.318 8.240 -0.004 0.000 0.444 107 P HA 0.102 4.535 4.420 0.022 0.000 0.272 107 P C -1.669 175.644 177.300 0.022 0.000 1.230 107 P CA -0.497 62.615 63.100 0.022 0.000 0.788 107 P CB 0.751 32.467 31.700 0.027 0.000 0.949 108 R N 0.874 121.388 120.500 0.024 0.000 2.491 108 R HA -0.102 4.340 4.340 0.011 -0.095 0.283 108 R C 0.227 176.547 176.300 0.034 0.000 1.072 108 R CA -0.105 56.008 56.100 0.021 0.000 1.048 108 R CB 0.514 30.828 30.300 0.022 0.000 0.983 108 R HN 0.115 8.401 8.270 0.027 0.000 0.450 109 L N 6.658 127.895 121.223 0.022 0.000 2.342 109 L HA 0.053 4.450 4.340 0.096 0.000 0.285 109 L C 0.997 177.887 176.870 0.033 0.000 1.095 109 L CA 0.031 54.899 54.840 0.047 0.000 0.843 109 L CB -0.338 41.725 42.059 0.008 0.000 1.201 109 L HN 0.408 8.639 8.230 0.002 0.000 0.445 110 Q N 5.349 125.215 119.800 0.111 0.000 2.084 110 Q HA -0.323 4.065 4.340 0.079 0.000 0.202 110 Q C 2.342 178.433 176.000 0.151 0.000 0.978 110 Q CA 2.835 58.706 55.803 0.114 0.000 0.844 110 Q CB -0.515 28.296 28.738 0.121 0.000 0.898 110 Q HN 0.811 9.164 8.270 0.139 0.000 0.426 111 Y N -4.076 116.294 120.300 0.116 0.000 2.574 111 Y HA -0.085 4.541 4.550 0.127 0.000 0.294 111 Y C -0.042 176.038 175.900 0.300 0.000 1.142 111 Y CA 1.416 59.610 58.100 0.156 0.000 1.314 111 Y CB -1.089 37.444 38.460 0.122 0.000 0.991 111 Y HN -0.149 8.396 8.280 0.442 0.000 0.555 112 L N -3.302 117.728 121.223 -0.321 0.000 2.640 112 L HA 0.151 4.365 4.340 -0.210 0.000 0.230 112 L C 1.226 178.017 176.870 -0.133 0.000 1.123 112 L CA -0.490 54.165 54.840 -0.309 0.000 0.900 112 L CB -0.181 41.577 42.059 -0.502 0.000 1.146 112 L HN -0.718 7.266 8.230 -0.324 0.053 0.484 113 R N 0.467 120.987 120.500 0.033 0.000 2.105 113 R HA -0.386 3.933 4.340 -0.034 0.000 0.239 113 R C 2.148 178.458 176.300 0.016 0.000 1.135 113 R CA 3.691 59.805 56.100 0.023 0.000 0.967 113 R CB -0.007 30.336 30.300 0.072 0.000 0.861 113 R HN -0.643 7.678 8.270 0.086 0.000 0.442 114 F N -4.112 115.816 119.950 -0.038 0.000 2.451 114 F HA -0.099 4.413 4.527 -0.025 0.000 0.299 114 F C 0.333 176.115 175.800 -0.030 0.000 1.101 114 F CA -0.043 57.941 58.000 -0.027 0.000 1.436 114 F CB -1.386 37.607 39.000 -0.011 0.000 1.074 114 F HN -0.268 8.355 8.300 0.538 0.000 0.553 115 A N -2.105 120.037 122.820 -1.130 0.000 2.167 115 A HA -0.083 3.523 4.320 -1.189 0.000 0.214 115 A C -1.242 176.108 177.584 -0.390 0.000 1.151 115 A CA 0.849 52.275 52.037 -1.019 0.000 0.735 115 A CB 0.354 18.803 19.000 -0.918 0.000 0.802 115 A HN -0.510 7.025 8.150 -0.939 0.052 0.467 116 S N -5.579 109.950 115.700 -0.285 0.000 2.627 116 S HA 1.083 5.627 4.470 -0.183 -0.184 0.283 116 S C -0.779 173.683 174.600 -0.230 0.000 1.127 116 S CA -1.826 56.242 58.200 -0.220 0.000 0.863 116 S CB 3.341 66.388 63.200 -0.256 0.000 1.121 116 S HN -0.912 7.180 8.310 -0.285 0.047 0.479 117 V N -6.760 112.984 119.914 -0.283 0.000 2.919 117 V HA 0.634 4.677 4.120 -0.311 -0.109 0.316 117 V C -2.195 173.752 176.094 -0.245 0.000 1.077 117 V CA -2.807 59.267 62.300 -0.377 0.000 0.977 117 V CB 3.043 34.376 31.823 -0.816 0.000 1.039 117 V HN -0.228 7.797 8.190 -0.276 0.000 0.441 118 S N 0.027 115.675 115.700 -0.086 0.000 2.521 118 S HA 0.522 5.148 4.470 -0.020 -0.168 0.295 118 S C -0.685 174.049 174.600 0.223 0.000 1.098 118 S CA -2.449 55.775 58.200 0.039 0.000 0.999 118 S CB 2.424 65.646 63.200 0.036 0.000 1.034 118 S HN 0.124 8.409 8.310 -0.042 0.000 0.483 119 L N 4.424 125.754 121.223 0.178 0.000 2.567 119 L HA 0.107 4.546 4.340 0.165 0.000 0.225 119 L C -0.916 175.971 176.870 0.027 0.000 1.119 119 L CA -0.148 54.775 54.840 0.138 0.000 0.871 119 L CB 0.509 42.646 42.059 0.130 0.000 1.036 119 L HN 0.218 8.524 8.230 0.127 0.000 0.459 120 Y N 1.228 121.503 120.300 -0.042 0.000 2.308 120 Y HA 0.177 4.674 4.550 -0.088 0.000 0.329 120 Y C -1.829 174.028 175.900 -0.072 0.000 1.111 120 Y CA -1.881 56.179 58.100 -0.066 0.000 1.179 120 Y CB 1.377 39.816 38.460 -0.036 0.000 1.201 120 Y HN -0.827 7.537 8.280 0.211 0.043 0.483 121 P HA -0.051 4.316 4.420 -0.089 0.000 0.264 121 P C -1.010 176.335 177.300 0.074 0.000 1.183 121 P CA 0.061 63.074 63.100 -0.145 0.000 0.763 121 P CB 0.333 31.895 31.700 -0.229 0.000 0.807 122 S N 2.437 118.202 115.700 0.108 0.000 2.576 122 S HA -0.283 4.356 4.470 0.121 -0.096 0.272 122 S C 1.423 176.067 174.600 0.073 0.000 1.352 122 S CA -0.188 58.078 58.200 0.109 0.000 1.021 122 S CB 1.341 64.607 63.200 0.110 0.000 0.887 122 S HN 0.104 8.491 8.310 0.128 0.000 0.542 123 N N 2.415 121.154 118.700 0.065 0.000 2.094 123 N HA -0.431 4.327 4.740 0.029 0.000 0.191 123 N C 2.110 177.619 175.510 -0.001 0.000 1.023 123 N CA 3.056 56.125 53.050 0.032 0.000 0.857 123 N CB -0.498 38.010 38.487 0.033 0.000 1.013 123 N HN 0.283 9.025 8.380 0.071 -0.319 0.426 124 E N 0.462 120.675 120.200 0.023 0.000 2.085 124 E HA -0.389 3.968 4.350 0.011 0.000 0.194 124 E C 1.694 178.285 176.600 -0.014 0.000 0.994 124 E CA 3.363 59.775 56.400 0.021 0.000 0.801 124 E CB -0.228 29.506 29.700 0.056 0.000 0.743 124 E HN 0.171 8.556 8.360 0.042 0.000 0.453 125 D N -0.396 120.005 120.400 0.002 0.000 2.117 125 D HA -0.233 4.407 4.640 0.001 0.000 0.197 125 D C 2.565 178.567 176.300 -0.497 0.000 0.987 125 D CA 3.311 57.255 54.000 -0.093 0.000 0.829 125 D CB -0.294 40.604 40.800 0.163 0.000 0.961 125 D HN -0.659 7.739 8.370 0.047 0.000 0.460 126 V N 0.202 119.904 119.914 -0.353 0.000 2.287 126 V HA -0.574 3.135 4.120 -0.685 0.000 0.248 126 V C 1.793 177.648 176.094 -0.399 0.000 1.053 126 V CA 4.865 66.895 62.300 -0.450 0.000 1.027 126 V CB -0.174 31.518 31.823 -0.219 0.000 0.646 126 V HN -0.369 7.698 8.190 -0.205 0.000 0.447 127 S N -0.153 115.413 115.700 -0.223 0.000 2.368 127 S HA -0.279 4.127 4.470 -0.106 0.000 0.225 127 S C 2.237 176.725 174.600 -0.186 0.000 1.030 127 S CA 3.479 61.596 58.200 -0.139 0.000 0.999 127 S CB -0.324 62.846 63.200 -0.051 0.000 0.844 127 S HN -0.413 7.798 8.310 -0.166 0.000 0.459 128 L N 0.392 121.469 121.223 -0.243 0.000 2.093 128 L HA -0.250 4.049 4.340 -0.069 0.000 0.208 128 L C 1.997 178.592 176.870 -0.459 0.000 1.085 128 L CA 3.015 57.744 54.840 -0.185 0.000 0.755 128 L CB -0.428 41.667 42.059 0.059 0.000 0.904 128 L HN -0.263 7.820 8.230 -0.245 0.000 0.435 129 A N -0.763 121.435 122.820 -1.037 0.000 1.929 129 A HA -0.258 3.159 4.320 -1.505 0.000 0.216 129 A C 2.034 179.387 177.584 -0.384 0.000 1.176 129 A CA 3.140 54.418 52.037 -1.265 0.000 0.628 129 A CB -0.849 17.036 19.000 -1.859 0.000 0.816 129 A HN -0.159 7.335 8.150 -1.094 0.000 0.444 130 V N -1.176 118.589 119.914 -0.249 0.000 2.343 130 V HA -0.660 3.548 4.120 0.148 0.000 0.247 130 V C 1.914 177.968 176.094 -0.067 0.000 1.051 130 V CA 4.449 66.745 62.300 -0.007 0.000 1.036 130 V CB -0.196 31.629 31.823 0.005 0.000 0.654 130 V HN -0.199 7.769 8.190 -0.370 0.000 0.451 131 S N 0.118 115.770 115.700 -0.079 0.000 2.382 131 S HA -0.380 4.081 4.470 -0.016 0.000 0.228 131 S C 1.904 176.469 174.600 -0.058 0.000 1.027 131 S CA 3.410 61.588 58.200 -0.036 0.000 0.991 131 S CB -0.255 62.944 63.200 -0.001 0.000 0.823 131 S HN -0.203 8.042 8.310 -0.109 0.000 0.469 132 R N 1.668 122.135 120.500 -0.054 0.000 2.096 132 R HA -0.246 4.097 4.340 0.005 0.000 0.235 132 R C 2.175 178.389 176.300 -0.143 0.000 1.127 132 R CA 2.381 58.471 56.100 -0.017 0.000 0.968 132 R CB -0.834 29.551 30.300 0.141 0.000 0.861 132 R HN -0.491 7.633 8.270 -0.082 0.097 0.440 133 I N -0.737 119.708 120.570 -0.208 0.000 2.315 133 I HA -0.466 3.466 4.170 -0.396 0.000 0.248 133 I C 1.744 177.401 176.117 -0.765 0.000 1.117 133 I CA 3.740 64.770 61.300 -0.449 0.000 1.404 133 I CB -0.055 37.669 38.000 -0.459 0.000 1.071 133 I HN -0.713 7.409 8.210 -0.147 0.000 0.419 134 L N -1.690 119.218 121.223 -0.524 0.000 2.083 134 L HA -0.497 3.486 4.340 -0.595 0.000 0.209 134 L C 1.996 178.565 176.870 -0.502 0.000 1.083 134 L CA 3.241 57.811 54.840 -0.450 0.000 0.752 134 L CB -0.779 41.204 42.059 -0.127 0.000 0.899 134 L HN -0.250 7.700 8.230 -0.344 0.074 0.433 135 K N -0.600 119.465 120.400 -0.557 0.000 2.063 135 K HA -0.393 2.821 4.320 -1.844 0.000 0.208 135 K C 2.441 178.710 176.600 -0.551 0.000 1.048 135 K CA 3.805 59.553 56.287 -0.898 0.000 0.928 135 K CB -0.281 31.949 32.500 -0.451 0.000 0.713 135 K HN 0.001 8.018 8.250 -0.390 0.000 0.442 136 S N -0.520 114.969 115.700 -0.352 0.000 2.481 136 S HA -0.135 4.263 4.470 -0.120 0.000 0.231 136 S C 0.637 175.278 174.600 0.069 0.000 0.996 136 S CA 2.516 60.627 58.200 -0.149 0.000 0.942 136 S CB -0.664 62.470 63.200 -0.110 0.000 0.768 136 S HN -0.460 7.510 8.310 -0.389 0.107 0.520 137 F N -0.112 119.730 119.950 -0.180 0.000 2.664 137 F HA 0.190 4.649 4.527 -0.114 0.000 0.301 137 F C -0.633 175.081 175.800 -0.144 0.000 1.126 137 F CA -1.977 55.941 58.000 -0.137 0.000 1.373 137 F CB -1.139 37.795 39.000 -0.109 0.000 1.042 137 F HN -0.868 7.164 8.300 -0.211 0.141 0.535 138 N N -3.186 115.475 118.700 -0.064 0.000 2.754 138 N HA -0.389 4.258 4.740 -0.155 0.000 0.248 138 N C -1.223 174.303 175.510 0.027 0.000 1.093 138 N CA 1.471 54.477 53.050 -0.075 0.000 0.699 138 N CB -0.896 37.608 38.487 0.028 0.000 1.016 138 N HN -0.503 7.606 8.380 -0.156 0.178 0.552 139 Y N -6.742 113.576 120.300 0.031 0.000 3.018 139 Y HA -0.395 4.126 4.550 -0.048 0.000 0.181 139 Y C -2.520 173.397 175.900 0.029 0.000 1.542 139 Y CA -0.118 57.971 58.100 -0.018 0.000 0.975 139 Y CB -2.289 36.130 38.460 -0.069 0.000 1.379 139 Y HN -0.195 7.854 8.280 -0.384 0.000 0.423 140 P HA 0.059 4.571 4.420 0.153 0.000 0.278 140 P C -0.777 176.688 177.300 0.276 0.000 1.266 140 P CA -0.804 62.411 63.100 0.190 0.000 0.807 140 P CB 1.229 33.026 31.700 0.161 0.000 1.094 141 S N 0.190 116.024 115.700 0.224 0.000 2.584 141 S HA -0.112 4.706 4.470 0.399 -0.109 0.270 141 S C -0.736 173.967 174.600 0.171 0.000 1.346 141 S CA 0.452 58.800 58.200 0.248 0.000 1.018 141 S CB 1.095 64.377 63.200 0.138 0.000 0.899 141 S HN -0.124 8.282 8.310 0.161 0.000 0.542 142 A N 0.345 123.197 122.820 0.054 0.000 2.602 142 A HA 0.570 5.022 4.320 0.011 -0.126 0.290 142 A C -2.068 175.450 177.584 -0.110 0.000 1.114 142 A CA -0.790 51.231 52.037 -0.026 0.000 0.683 142 A CB 3.436 22.438 19.000 0.003 0.000 1.281 142 A HN 0.086 8.226 8.150 -0.017 0.000 0.416 143 S N -1.811 113.846 115.700 -0.072 0.000 2.482 143 S HA 0.721 5.285 4.470 -0.088 -0.147 0.303 143 S C -1.727 172.837 174.600 -0.061 0.000 1.091 143 S CA -1.359 56.802 58.200 -0.065 0.000 1.057 143 S CB 2.918 66.111 63.200 -0.012 0.000 1.031 143 S HN 0.202 8.485 8.310 -0.045 0.000 0.485 144 L N 5.979 127.161 121.223 -0.068 0.000 2.305 144 L HA 0.664 5.156 4.340 -0.019 -0.163 0.284 144 L C -2.460 174.407 176.870 -0.004 0.000 1.013 144 L CA -1.313 53.504 54.840 -0.039 0.000 0.819 144 L CB 3.178 45.195 42.059 -0.071 0.000 1.227 144 L HN 0.806 8.989 8.230 -0.077 0.000 0.417 145 I N 6.755 127.341 120.570 0.027 0.000 2.321 145 I HA 0.480 4.841 4.170 0.027 -0.175 0.291 145 I C -1.313 174.827 176.117 0.037 0.000 0.998 145 I CA -1.243 60.079 61.300 0.037 0.000 1.227 145 I CB 1.483 39.520 38.000 0.060 0.000 1.368 145 I HN 0.694 8.928 8.210 0.040 0.000 0.466 146 c N 6.628 125.244 118.600 0.028 0.000 2.351 146 c HA 0.637 5.361 4.570 0.032 -0.135 0.326 146 c C 0.429 174.536 174.090 0.028 0.000 1.272 146 c CA -1.323 55.022 56.329 0.027 0.000 1.650 146 c CB 1.517 44.038 42.510 0.018 0.000 2.257 146 c HN 0.542 8.785 8.230 0.023 0.000 0.505 147 A N 3.945 126.784 122.820 0.032 0.000 2.016 147 A HA -0.068 4.269 4.320 0.030 0.000 0.217 147 A C -0.950 176.647 177.584 0.023 0.000 1.162 147 A CA 2.207 54.262 52.037 0.030 0.000 0.662 147 A CB 0.351 19.371 19.000 0.034 0.000 0.812 147 A HN 0.221 8.392 8.150 0.035 0.000 0.450 148 K N -4.380 116.032 120.400 0.021 0.000 2.426 148 K HA 0.353 4.682 4.320 0.015 0.000 0.251 148 K C -0.584 176.025 176.600 0.015 0.000 0.941 148 K CA -2.062 54.234 56.287 0.016 0.000 0.808 148 K CB 2.661 35.169 32.500 0.014 0.000 1.265 148 K HN -0.517 7.746 8.250 0.022 0.000 0.432 149 A N 1.732 124.560 122.820 0.013 0.000 2.178 149 A HA -0.200 4.127 4.320 0.012 0.000 0.218 149 A C 0.538 178.130 177.584 0.012 0.000 1.157 149 A CA 2.383 54.427 52.037 0.012 0.000 0.689 149 A CB -0.270 18.736 19.000 0.011 0.000 0.787 149 A HN 0.576 8.733 8.150 0.012 0.000 0.465 150 E N -3.289 116.919 120.200 0.013 0.000 2.476 150 E HA 0.019 4.377 4.350 0.014 0.000 0.191 150 E C 1.039 177.648 176.600 0.016 0.000 1.064 150 E CA 0.215 56.623 56.400 0.014 0.000 0.866 150 E CB -1.314 28.393 29.700 0.012 0.000 0.952 150 E HN 0.258 8.560 8.360 0.012 0.066 0.492 151 c N -1.980 116.629 118.600 0.016 0.000 2.422 151 c HA -0.047 4.535 4.570 0.020 0.000 0.279 151 c C 1.350 175.451 174.090 0.018 0.000 1.305 151 c CA 1.460 57.800 56.329 0.018 0.000 1.757 151 c CB -1.391 41.130 42.510 0.018 0.000 1.962 151 c HN -0.440 7.739 8.230 0.015 0.061 0.499 152 L N -0.341 120.891 121.223 0.015 0.000 2.131 152 L HA -0.274 4.077 4.340 0.018 0.000 0.210 152 L C 1.571 178.455 176.870 0.023 0.000 1.092 152 L CA 2.270 57.121 54.840 0.018 0.000 0.759 152 L CB -0.658 41.410 42.059 0.015 0.000 0.903 152 L HN -0.388 7.850 8.230 0.014 0.000 0.435 153 L N -2.189 119.047 121.223 0.021 0.000 2.095 153 L HA -0.226 4.129 4.340 0.025 0.000 0.204 153 L C 2.224 179.108 176.870 0.024 0.000 1.080 153 L CA 2.292 57.146 54.840 0.023 0.000 0.759 153 L CB -0.461 41.611 42.059 0.021 0.000 0.914 153 L HN -0.737 7.493 8.230 0.019 0.011 0.439 154 R N -0.450 120.063 120.500 0.022 0.000 2.091 154 R HA -0.308 4.046 4.340 0.022 0.000 0.238 154 R C 1.819 178.130 176.300 0.019 0.000 1.136 154 R CA 3.262 59.375 56.100 0.021 0.000 0.959 154 R CB 0.104 30.417 30.300 0.022 0.000 0.856 154 R HN -0.469 7.813 8.270 0.021 0.000 0.437 155 L N -2.689 118.548 121.223 0.022 0.000 2.912 155 L HA 0.532 4.881 4.340 0.015 0.000 0.240 155 L C -0.041 176.853 176.870 0.039 0.000 1.262 155 L CA -1.319 53.537 54.840 0.026 0.000 1.058 155 L CB -1.324 40.754 42.059 0.033 0.000 1.383 155 L HN -0.076 8.159 8.230 0.024 0.009 0.512 156 E N 1.944 122.164 120.200 0.034 0.000 2.086 156 E HA -0.537 3.944 4.350 0.041 -0.107 0.200 156 E C 1.408 178.036 176.600 0.045 0.000 1.012 156 E CA 4.193 60.616 56.400 0.038 0.000 0.812 156 E CB -0.033 29.687 29.700 0.032 0.000 0.743 156 E HN -0.675 7.630 8.360 0.029 0.072 0.453 157 E N -0.345 119.878 120.200 0.038 0.000 2.085 157 E HA -0.277 4.093 4.350 0.034 0.000 0.194 157 E C 2.339 178.971 176.600 0.053 0.000 0.994 157 E CA 2.651 59.073 56.400 0.037 0.000 0.801 157 E CB -0.542 29.174 29.700 0.026 0.000 0.743 157 E HN -0.043 8.336 8.360 0.031 0.000 0.453 158 L N 0.443 121.711 121.223 0.074 0.000 2.056 158 L HA -0.246 4.159 4.340 0.107 0.000 0.207 158 L C 2.225 179.240 176.870 0.241 0.000 1.078 158 L CA 2.883 57.808 54.840 0.141 0.000 0.749 158 L CB -0.027 42.124 42.059 0.153 0.000 0.901 158 L HN -0.530 7.736 8.230 0.061 0.000 0.433 159 V N -0.506 119.512 119.914 0.173 0.000 2.358 159 V HA -0.629 3.627 4.120 0.227 0.000 0.246 159 V C 2.038 178.223 176.094 0.152 0.000 1.047 159 V CA 4.576 66.978 62.300 0.170 0.000 1.035 159 V CB -0.321 31.554 31.823 0.086 0.000 0.658 159 V HN -0.178 8.085 8.190 0.121 0.000 0.452 160 R N -1.409 119.148 120.500 0.094 0.000 2.120 160 R HA -0.335 4.042 4.340 0.062 0.000 0.234 160 R C 2.680 179.009 176.300 0.049 0.000 1.123 160 R CA 3.513 59.650 56.100 0.062 0.000 0.975 160 R CB -0.402 29.921 30.300 0.038 0.000 0.866 160 R HN -0.008 8.311 8.270 0.081 0.000 0.446 161 G N -1.376 107.445 108.800 0.036 0.000 2.421 161 G HA2 -0.233 3.686 3.960 -0.069 0.000 0.216 161 G HA3 -0.233 3.670 3.960 -0.096 0.000 0.216 161 G C 1.905 176.757 174.900 -0.080 0.000 1.171 161 G CA 1.699 46.766 45.100 -0.055 0.000 0.775 161 G HN -0.387 7.928 8.290 0.053 0.006 0.543 162 F N 2.243 122.195 119.950 0.004 0.000 2.234 162 F HA -0.213 4.318 4.527 0.007 0.000 0.299 162 F C 2.442 178.243 175.800 0.003 0.000 1.087 162 F CA 3.361 61.366 58.000 0.008 0.000 1.340 162 F CB 0.077 39.087 39.000 0.017 0.000 1.031 162 F HN -0.519 7.939 8.300 0.263 0.000 0.500 163 L N -2.403 118.922 121.223 0.170 0.000 2.191 163 L HA -0.291 4.114 4.340 0.108 0.000 0.212 163 L C 1.184 178.086 176.870 0.055 0.000 1.103 163 L CA 2.496 57.395 54.840 0.099 0.000 0.769 163 L CB -0.073 42.028 42.059 0.071 0.000 0.908 163 L HN -0.199 8.019 8.230 0.164 0.109 0.438 164 I N -8.281 112.304 120.570 0.025 0.000 4.018 164 I HA 0.169 4.342 4.170 0.006 0.000 0.337 164 I C 0.092 176.194 176.117 -0.025 0.000 1.327 164 I CA -0.691 60.606 61.300 -0.004 0.000 1.100 164 I CB 0.446 38.434 38.000 -0.020 0.000 1.025 164 I HN -0.603 7.596 8.210 0.017 0.021 0.396 165 S N 1.446 117.129 115.700 -0.028 0.000 2.652 165 S HA 0.103 4.518 4.470 -0.091 0.000 0.270 165 S C 0.224 174.822 174.600 -0.004 0.000 1.243 165 S CA -0.695 57.468 58.200 -0.062 0.000 0.999 165 S CB 0.840 63.955 63.200 -0.143 0.000 0.973 165 S HN -0.620 7.572 8.310 -0.004 0.115 0.544 166 K N 0.918 121.311 120.400 -0.012 0.000 2.366 166 K HA -0.028 4.307 4.320 0.024 0.000 0.198 166 K C 0.318 176.954 176.600 0.060 0.000 1.044 166 K CA 0.544 56.843 56.287 0.020 0.000 0.973 166 K CB -0.113 32.392 32.500 0.008 0.000 0.767 166 K HN 0.187 8.414 8.250 -0.039 0.000 0.475 167 E N 0.480 120.730 120.200 0.084 0.000 2.349 167 E HA 0.047 4.484 4.350 0.144 0.000 0.265 167 E C -0.140 176.627 176.600 0.278 0.000 1.064 167 E CA -0.584 55.921 56.400 0.175 0.000 0.886 167 E CB 0.839 30.663 29.700 0.208 0.000 1.036 167 E HN -0.582 7.770 8.360 0.045 0.034 0.413 168 T N -2.833 111.859 114.554 0.229 0.000 2.944 168 T HA 0.242 4.687 4.350 0.158 0.000 0.284 168 T C -1.308 173.392 174.700 0.001 0.000 1.010 168 T CA -1.502 60.683 62.100 0.142 0.000 1.025 168 T CB 1.807 70.714 68.868 0.065 0.000 1.079 168 T HN 0.267 8.621 8.240 0.190 0.000 0.516 169 L N 3.113 124.238 121.223 -0.162 0.000 2.441 169 L HA 0.664 4.951 4.340 -0.456 -0.220 0.270 169 L C -1.176 175.576 176.870 -0.197 0.000 0.973 169 L CA -1.303 53.291 54.840 -0.410 0.000 0.842 169 L CB 2.961 44.546 42.059 -0.791 0.000 1.239 169 L HN 0.120 8.300 8.230 -0.082 0.000 0.406 170 S N 7.384 122.998 115.700 -0.142 0.000 2.508 170 S HA 0.304 4.737 4.470 -0.062 0.000 0.284 170 S C -1.364 173.190 174.600 -0.077 0.000 1.192 170 S CA -1.375 56.779 58.200 -0.076 0.000 1.070 170 S CB 1.423 64.601 63.200 -0.037 0.000 1.004 170 S HN 0.203 8.426 8.310 -0.145 0.000 0.493 171 V N 4.510 124.393 119.914 -0.052 0.000 2.448 171 V HA 0.435 4.676 4.120 -0.048 -0.149 0.295 171 V C -0.185 175.899 176.094 -0.016 0.000 1.025 171 V CA -0.711 61.565 62.300 -0.040 0.000 0.859 171 V CB 1.559 33.359 31.823 -0.037 0.000 0.988 171 V HN 0.351 8.516 8.190 -0.041 0.000 0.431 172 R N 7.598 128.093 120.500 -0.007 0.000 2.532 172 R HA 0.375 4.717 4.340 0.004 0.000 0.297 172 R C -1.592 174.714 176.300 0.010 0.000 0.984 172 R CA -1.388 54.714 56.100 0.004 0.000 0.884 172 R CB 3.310 33.615 30.300 0.010 0.000 1.182 172 R HN 0.472 8.737 8.270 -0.008 0.000 0.442 173 M N 2.207 121.813 119.600 0.011 0.000 2.363 173 M HA 0.430 5.079 4.480 0.015 -0.159 0.343 173 M C -0.004 176.306 176.300 0.017 0.000 1.165 173 M CA -2.254 53.054 55.300 0.014 0.000 1.046 173 M CB 0.876 33.483 32.600 0.012 0.000 1.648 173 M HN 0.229 8.525 8.290 0.010 0.000 0.452 174 L N 1.315 122.550 121.223 0.020 0.000 2.397 174 L HA 0.019 4.371 4.340 0.020 0.000 0.271 174 L C 0.180 177.061 176.870 0.018 0.000 1.148 174 L CA 0.060 54.912 54.840 0.020 0.000 0.825 174 L CB 0.530 42.604 42.059 0.024 0.000 1.117 174 L HN 0.283 8.525 8.230 0.021 0.000 0.456 175 D N 1.439 121.849 120.400 0.017 0.000 2.316 175 D HA 0.128 4.776 4.640 0.014 0.000 0.245 175 D C -0.086 176.223 176.300 0.015 0.000 1.171 175 D CA -0.619 53.390 54.000 0.015 0.000 0.856 175 D CB 0.003 40.811 40.800 0.014 0.000 1.090 175 D HN 0.214 8.594 8.370 0.017 0.000 0.476 179 D N -0.343 120.068 120.400 0.017 0.000 2.336 179 D HA 0.429 5.079 4.640 0.016 0.000 0.248 179 D C -1.740 174.569 176.300 0.015 0.000 1.326 179 D CA -2.090 51.919 54.000 0.016 0.000 0.973 179 D CB 1.802 42.610 40.800 0.013 0.000 1.255 179 D HN -0.340 8.041 8.370 0.017 0.000 0.558 180 P HA 0.072 4.504 4.420 0.019 0.000 0.242 180 P C 0.468 177.776 177.300 0.013 0.000 1.197 180 P CA 0.451 63.562 63.100 0.017 0.000 0.765 180 P CB 0.521 32.233 31.700 0.019 0.000 0.936 181 T N 2.171 116.731 114.554 0.010 0.000 2.684 181 T HA -0.299 4.053 4.350 0.003 0.000 0.267 181 T C -0.203 174.503 174.700 0.009 0.000 1.036 181 T CA 6.901 69.005 62.100 0.006 0.000 1.148 181 T CB -1.914 66.957 68.868 0.004 0.000 0.863 181 T HN -0.624 7.729 8.240 0.010 -0.107 0.436 182 P HA -0.159 4.268 4.420 0.012 0.000 0.215 182 P C 0.909 178.218 177.300 0.015 0.000 1.153 182 P CA 2.942 66.049 63.100 0.012 0.000 0.853 182 P CB -0.495 31.213 31.700 0.012 0.000 0.788 183 L N -2.771 118.462 121.223 0.017 0.000 2.017 183 L HA -0.293 4.059 4.340 0.019 0.000 0.208 183 L C 1.681 178.566 176.870 0.024 0.000 1.073 183 L CA 2.955 57.807 54.840 0.020 0.000 0.745 183 L CB -0.079 41.993 42.059 0.022 0.000 0.894 183 L HN -0.494 7.740 8.230 0.016 0.005 0.432 184 L N -2.395 118.841 121.223 0.022 0.000 2.141 184 L HA -0.472 3.886 4.340 0.031 0.000 0.209 184 L C 2.192 179.073 176.870 0.019 0.000 1.094 184 L CA 3.087 57.940 54.840 0.021 0.000 0.763 184 L CB -0.445 41.619 42.059 0.009 0.000 0.908 184 L HN -0.114 8.051 8.230 0.019 0.076 0.437 185 K N -0.847 119.563 120.400 0.017 0.000 2.097 185 K HA -0.371 3.961 4.320 0.021 0.000 0.205 185 K C 2.467 179.085 176.600 0.031 0.000 1.050 185 K CA 3.875 60.175 56.287 0.021 0.000 0.938 185 K CB -0.339 32.170 32.500 0.015 0.000 0.718 185 K HN -0.119 8.140 8.250 0.015 0.000 0.442 186 E N -0.727 119.490 120.200 0.029 0.000 2.051 186 E HA -0.306 4.062 4.350 0.029 0.000 0.192 186 E C 2.504 179.131 176.600 0.045 0.000 0.991 186 E CA 2.896 59.315 56.400 0.031 0.000 0.799 186 E CB -0.090 29.625 29.700 0.025 0.000 0.748 186 E HN -0.784 7.591 8.360 0.025 0.000 0.449 187 I N -1.154 119.447 120.570 0.051 0.000 2.286 187 I HA -0.444 3.767 4.170 0.069 0.000 0.248 187 I C 1.522 177.713 176.117 0.123 0.000 1.115 187 I CA 3.746 65.092 61.300 0.076 0.000 1.392 187 I CB -0.100 37.942 38.000 0.071 0.000 1.065 187 I HN -0.711 7.526 8.210 0.044 0.000 0.418 188 R N -0.727 119.841 120.500 0.112 0.000 2.096 188 R HA -0.361 4.144 4.340 0.275 0.000 0.235 188 R C 2.513 178.885 176.300 0.119 0.000 1.127 188 R CA 3.273 59.469 56.100 0.161 0.000 0.968 188 R CB -0.170 30.190 30.300 0.099 0.000 0.861 188 R HN -0.463 7.770 8.270 0.077 0.084 0.440 189 D N -0.933 119.510 120.400 0.073 0.000 2.269 189 D HA -0.095 4.566 4.640 0.036 0.000 0.208 189 D C 0.968 177.296 176.300 0.048 0.000 0.963 189 D CA 2.571 56.599 54.000 0.046 0.000 0.864 189 D CB -0.721 40.098 40.800 0.032 0.000 0.936 189 D HN -0.461 7.948 8.370 0.064 0.000 0.505 190 D N -2.748 117.693 120.400 0.068 0.000 2.312 190 D HA -0.039 4.631 4.640 0.049 0.000 0.211 190 D C -0.768 175.582 176.300 0.083 0.000 0.964 190 D CA 0.391 54.431 54.000 0.065 0.000 0.877 190 D CB 0.218 41.057 40.800 0.065 0.000 0.924 190 D HN -0.702 7.583 8.370 0.078 0.132 0.515 191 K N -3.973 116.494 120.400 0.111 0.000 3.035 191 K HA -0.467 3.926 4.320 0.121 0.000 0.262 191 K C -1.262 175.485 176.600 0.245 0.000 1.024 191 K CA 0.892 57.256 56.287 0.128 0.000 0.748 191 K CB -2.748 29.765 32.500 0.021 0.000 1.247 191 K HN -0.588 7.695 8.250 0.121 0.039 0.482 192 V N -0.332 119.716 119.914 0.224 0.000 2.435 192 V HA 0.059 4.252 4.120 0.121 0.000 0.290 192 V C -0.669 175.453 176.094 0.046 0.000 1.030 192 V CA -1.095 61.284 62.300 0.131 0.000 0.881 192 V CB 1.143 33.007 31.823 0.069 0.000 0.983 192 V HN -0.563 7.734 8.190 0.209 0.018 0.445 193 S N 4.752 120.290 115.700 -0.271 0.000 2.377 193 S HA -0.093 3.750 4.470 -1.045 0.000 0.223 193 S C 0.008 174.384 174.600 -0.374 0.000 1.030 193 S CA 1.957 59.714 58.200 -0.739 0.000 0.970 193 S CB 0.758 63.297 63.200 -1.103 0.000 0.830 193 S HN 0.421 8.585 8.310 -0.242 0.000 0.473 194 T N 5.459 119.888 114.554 -0.208 0.000 2.780 194 T HA 0.331 4.784 4.350 -0.166 -0.203 0.294 194 T C -1.470 173.181 174.700 -0.082 0.000 0.949 194 T CA 1.440 63.476 62.100 -0.108 0.000 1.074 194 T CB 0.486 69.397 68.868 0.072 0.000 0.910 194 T HN -0.422 7.726 8.240 -0.155 0.000 0.501 195 I N 7.704 128.185 120.570 -0.147 0.000 2.447 195 I HA 0.499 4.819 4.170 -0.046 -0.178 0.287 195 I C -1.705 174.431 176.117 0.030 0.000 1.023 195 I CA -1.082 60.160 61.300 -0.097 0.000 1.083 195 I CB 2.856 40.712 38.000 -0.240 0.000 1.245 195 I HN 0.812 8.898 8.210 -0.208 0.000 0.434 196 I N 7.214 127.816 120.570 0.053 0.000 2.336 196 I HA 0.435 4.850 4.170 0.102 -0.183 0.292 196 I C -1.100 175.075 176.117 0.097 0.000 0.991 196 I CA -0.989 60.360 61.300 0.081 0.000 1.227 196 I CB 1.996 40.027 38.000 0.052 0.000 1.366 196 I HN 0.756 8.982 8.210 0.026 0.000 0.466 197 I N 7.702 128.348 120.570 0.126 0.000 2.330 197 I HA 0.294 4.673 4.170 0.100 -0.149 0.289 197 I C -2.029 174.146 176.117 0.096 0.000 1.001 197 I CA -0.872 60.497 61.300 0.115 0.000 1.193 197 I CB 1.590 39.672 38.000 0.137 0.000 1.345 197 I HN 0.474 8.767 8.210 0.139 0.000 0.461 198 D N 8.232 128.676 120.400 0.075 0.000 2.473 198 D HA 0.615 5.303 4.640 0.080 0.000 0.226 198 D C -2.026 174.313 176.300 0.065 0.000 1.089 198 D CA -1.792 52.250 54.000 0.069 0.000 0.883 198 D CB 1.711 42.542 40.800 0.051 0.000 1.029 198 D HN 0.226 8.635 8.370 0.066 0.000 0.517 199 A N 4.173 127.039 122.820 0.077 0.000 2.586 199 A HA 0.243 4.597 4.320 0.057 0.000 0.290 199 A C -3.117 174.516 177.584 0.081 0.000 1.086 199 A CA -0.488 51.590 52.037 0.069 0.000 0.665 199 A CB 3.343 22.383 19.000 0.066 0.000 1.279 199 A HN -0.691 7.513 8.150 0.090 0.000 0.423 200 N N -0.867 117.874 118.700 0.069 0.000 2.285 200 N HA -0.136 4.657 4.740 0.087 0.000 0.262 200 N C 1.083 176.647 175.510 0.090 0.000 1.299 200 N CA -0.603 52.492 53.050 0.076 0.000 0.930 200 N CB 0.046 38.566 38.487 0.054 0.000 1.157 200 N HN -0.152 8.263 8.380 0.057 0.000 0.532 201 A N -1.311 121.565 122.820 0.093 0.000 1.877 201 A HA -0.302 4.084 4.320 0.110 0.000 0.216 201 A C 1.753 179.391 177.584 0.090 0.000 1.186 201 A CA 3.427 55.521 52.037 0.095 0.000 0.620 201 A CB -0.701 18.349 19.000 0.082 0.000 0.822 201 A HN 0.697 8.901 8.150 0.089 0.000 0.443 202 S N -1.748 113.993 115.700 0.068 0.000 2.387 202 S HA -0.230 4.268 4.470 0.046 0.000 0.226 202 S C 1.904 176.554 174.600 0.085 0.000 1.026 202 S CA 2.944 61.178 58.200 0.057 0.000 0.972 202 S CB -0.895 62.322 63.200 0.028 0.000 0.814 202 S HN -0.552 7.874 8.310 0.062 -0.079 0.477 203 I N 2.406 123.020 120.570 0.074 0.000 2.353 203 I HA -0.233 3.977 4.170 0.066 0.000 0.248 203 I C 1.901 178.064 176.117 0.076 0.000 1.119 203 I CA 1.658 62.999 61.300 0.069 0.000 1.417 203 I CB -1.364 36.668 38.000 0.054 0.000 1.078 203 I HN -0.299 8.225 8.210 0.067 -0.274 0.421 204 S N 0.293 116.045 115.700 0.086 0.000 2.370 204 S HA -0.338 4.169 4.470 0.063 0.000 0.226 204 S C 2.130 176.763 174.600 0.055 0.000 1.033 204 S CA 3.879 62.125 58.200 0.077 0.000 1.011 204 S CB -0.760 62.502 63.200 0.104 0.000 0.852 204 S HN 0.129 8.493 8.310 0.091 0.000 0.457 205 H N 2.745 121.810 119.070 -0.007 0.000 2.321 205 H HA -0.211 4.316 4.556 -0.048 0.000 0.300 205 H C 2.122 177.432 175.328 -0.031 0.000 1.087 205 H CA 3.574 59.604 56.048 -0.029 0.000 1.319 205 H CB 0.435 30.185 29.762 -0.021 0.000 1.379 205 H HN -0.585 7.813 8.280 0.196 0.000 0.501 206 L N -0.307 121.022 121.223 0.177 0.000 2.012 206 L HA -0.323 4.104 4.340 0.146 0.000 0.210 206 L C 1.735 178.609 176.870 0.007 0.000 1.073 206 L CA 3.089 57.991 54.840 0.104 0.000 0.748 206 L CB -0.268 41.843 42.059 0.086 0.000 0.891 206 L HN -0.434 7.908 8.230 0.188 0.000 0.431 207 V N -1.087 118.824 119.914 -0.005 0.000 2.343 207 V HA -0.601 3.510 4.120 -0.015 0.000 0.247 207 V C 2.038 178.065 176.094 -0.111 0.000 1.051 207 V CA 4.633 66.915 62.300 -0.030 0.000 1.036 207 V CB -0.219 31.606 31.823 0.003 0.000 0.654 207 V HN -0.293 7.906 8.190 0.016 0.000 0.451 208 L N -1.878 119.230 121.223 -0.192 0.000 2.093 208 L HA -0.381 3.711 4.340 -0.413 0.000 0.208 208 L C 2.030 178.735 176.870 -0.274 0.000 1.085 208 L CA 3.040 57.684 54.840 -0.326 0.000 0.755 208 L CB -0.614 41.221 42.059 -0.373 0.000 0.904 208 L HN -0.356 7.773 8.230 -0.168 0.000 0.435 209 R N -0.336 120.016 120.500 -0.248 0.000 2.066 209 R HA -0.360 3.863 4.340 -0.195 0.000 0.232 209 R C 2.249 178.490 176.300 -0.097 0.000 1.131 209 R CA 3.692 59.687 56.100 -0.176 0.000 0.955 209 R CB -0.181 30.049 30.300 -0.117 0.000 0.851 209 R HN 0.012 8.131 8.270 -0.253 0.000 0.432 210 K N -2.251 118.107 120.400 -0.070 0.000 2.148 210 K HA -0.192 4.109 4.320 -0.032 0.000 0.204 210 K C 2.275 178.842 176.600 -0.056 0.000 1.050 210 K CA 2.181 58.443 56.287 -0.043 0.000 0.942 210 K CB -0.426 32.062 32.500 -0.021 0.000 0.724 210 K HN -0.401 7.810 8.250 -0.066 0.000 0.446 211 A N -0.390 122.378 122.820 -0.086 0.000 1.898 211 A HA -0.215 4.064 4.320 -0.068 0.000 0.216 211 A C 1.772 179.299 177.584 -0.094 0.000 1.181 211 A CA 2.982 54.964 52.037 -0.091 0.000 0.620 211 A CB -0.866 18.062 19.000 -0.120 0.000 0.819 211 A HN -0.042 8.033 8.150 -0.108 0.010 0.442 212 S N -0.879 114.756 115.700 -0.109 0.000 2.382 212 S HA -0.291 4.140 4.470 -0.064 0.000 0.228 212 S C 2.709 177.282 174.600 -0.045 0.000 1.027 212 S CA 2.777 60.931 58.200 -0.078 0.000 0.991 212 S CB -0.161 62.982 63.200 -0.094 0.000 0.823 212 S HN -0.213 8.016 8.310 -0.135 0.000 0.469 213 E N 0.160 120.334 120.200 -0.043 0.000 2.347 213 E HA -0.183 4.156 4.350 -0.018 0.000 0.196 213 E C 0.950 177.539 176.600 -0.018 0.000 1.008 213 E CA 1.822 58.208 56.400 -0.024 0.000 0.852 213 E CB 0.031 29.719 29.700 -0.019 0.000 0.783 213 E HN -0.493 7.836 8.360 -0.052 0.000 0.505 214 L N -2.327 118.880 121.223 -0.027 0.000 2.628 214 L HA 0.130 4.463 4.340 -0.011 0.000 0.229 214 L C -0.292 176.569 176.870 -0.014 0.000 1.137 214 L CA -1.243 53.584 54.840 -0.022 0.000 0.909 214 L CB 0.291 42.329 42.059 -0.034 0.000 1.137 214 L HN -0.598 7.451 8.230 -0.039 0.157 0.470 215 G N -1.998 106.797 108.800 -0.008 0.000 2.198 215 G HA2 -0.432 3.544 3.960 0.027 0.000 0.260 215 G HA3 -0.432 3.551 3.960 0.038 0.000 0.260 215 G C 0.293 175.213 174.900 0.034 0.000 1.025 215 G CA 1.121 46.235 45.100 0.024 0.000 0.769 215 G HN -0.400 7.703 8.290 -0.014 0.178 0.507 216 M N -2.482 117.076 119.600 -0.070 0.000 2.493 216 M HA 0.127 4.375 4.480 -0.386 0.000 0.244 216 M C -0.489 175.775 176.300 -0.061 0.000 1.182 216 M CA 0.279 55.392 55.300 -0.311 0.000 0.981 216 M CB 0.231 32.523 32.600 -0.514 0.000 1.551 216 M HN -0.213 8.012 8.290 -0.076 0.019 0.476 217 T N -6.029 108.579 114.554 0.091 0.000 3.215 217 T HA 0.183 4.725 4.350 0.319 0.000 0.271 217 T C -0.384 174.443 174.700 0.213 0.000 1.012 217 T CA -2.493 59.712 62.100 0.174 0.000 0.899 217 T CB -0.438 68.440 68.868 0.016 0.000 1.089 217 T HN -0.381 7.840 8.240 0.060 0.055 0.552 218 S N 0.571 116.441 115.700 0.283 0.000 2.641 218 S HA 0.092 4.814 4.470 0.165 -0.154 0.261 218 S C 1.430 176.183 174.600 0.254 0.000 1.257 218 S CA -0.988 57.356 58.200 0.241 0.000 0.983 218 S CB 1.980 65.322 63.200 0.237 0.000 0.990 218 S HN -0.881 7.562 8.310 0.330 0.065 0.572 219 A N 1.531 124.445 122.820 0.157 0.000 2.019 219 A HA -0.174 4.352 4.320 0.071 -0.164 0.219 219 A C 0.942 178.552 177.584 0.044 0.000 1.164 219 A CA 2.170 54.259 52.037 0.087 0.000 0.644 219 A CB -0.392 18.638 19.000 0.051 0.000 0.805 219 A HN 0.552 8.783 8.150 0.135 0.000 0.449 220 F N -0.963 118.927 119.950 -0.098 0.000 2.126 220 F HA -0.298 4.080 4.527 -0.249 0.000 0.299 220 F C -0.925 174.643 175.800 -0.387 0.000 1.096 220 F CA 2.200 60.017 58.000 -0.305 0.000 1.255 220 F CB 0.625 39.321 39.000 -0.507 0.000 0.997 220 F HN -0.658 7.752 8.300 0.226 0.025 0.479 221 Y N -4.451 115.772 120.300 -0.129 0.000 2.299 221 Y HA -0.022 4.360 4.550 -0.532 -0.152 0.326 221 Y C -0.719 174.983 175.900 -0.329 0.000 1.164 221 Y CA -0.325 57.586 58.100 -0.315 0.000 1.234 221 Y CB 0.680 39.063 38.460 -0.128 0.000 1.219 221 Y HN -0.952 7.429 8.280 0.191 0.014 0.497 222 K N 0.494 120.693 120.400 -0.334 0.000 2.502 222 K HA 0.486 4.891 4.320 -0.114 -0.154 0.254 222 K C -1.360 175.120 176.600 -0.200 0.000 0.947 222 K CA -1.286 54.851 56.287 -0.250 0.000 0.834 222 K CB 2.316 34.513 32.500 -0.504 0.000 1.112 222 K HN 0.099 8.105 8.250 -0.407 0.000 0.427 223 Y N 3.717 124.064 120.300 0.078 0.000 2.342 223 Y HA 0.772 5.605 4.550 0.089 -0.230 0.334 223 Y C -0.135 175.809 175.900 0.075 0.000 1.067 223 Y CA -1.560 56.591 58.100 0.086 0.000 1.128 223 Y CB 2.904 41.407 38.460 0.072 0.000 1.200 223 Y HN 0.493 8.954 8.280 0.303 0.000 0.464 224 I N 1.492 122.174 120.570 0.187 0.000 2.447 224 I HA 0.316 4.619 4.170 -0.063 -0.170 0.287 224 I C -1.553 174.591 176.117 0.044 0.000 1.023 224 I CA -0.998 60.321 61.300 0.032 0.000 1.083 224 I CB 2.498 40.496 38.000 -0.003 0.000 1.245 224 I HN 0.446 8.770 8.210 0.189 0.000 0.434 225 L N 6.397 127.592 121.223 -0.047 0.000 2.322 225 L HA 0.514 5.071 4.340 0.110 -0.151 0.279 225 L C 1.027 177.956 176.870 0.099 0.000 1.036 225 L CA -0.924 53.951 54.840 0.058 0.000 0.807 225 L CB 1.689 43.842 42.059 0.155 0.000 1.226 225 L HN 0.375 8.479 8.230 -0.209 0.000 0.433 226 T N -0.406 114.240 114.554 0.154 0.000 3.067 226 T HA -0.047 4.456 4.350 0.255 0.000 0.257 226 T C 0.100 174.917 174.700 0.195 0.000 1.105 226 T CA 0.894 63.103 62.100 0.183 0.000 1.104 226 T CB 0.385 69.317 68.868 0.107 0.000 0.925 226 T HN 0.049 8.370 8.240 0.136 0.000 0.498 227 T N 1.645 116.321 114.554 0.204 0.000 2.888 227 T HA -0.175 4.303 4.350 0.214 0.000 0.301 227 T C 0.895 175.744 174.700 0.249 0.000 1.001 227 T CA 0.485 62.717 62.100 0.220 0.000 1.147 227 T CB 0.766 69.757 68.868 0.206 0.000 0.931 227 T HN -0.659 7.698 8.240 0.196 0.000 0.541 228 M N 6.721 126.460 119.600 0.232 0.000 2.659 228 M HA 0.003 4.577 4.480 0.156 0.000 0.243 228 M C 0.158 176.576 176.300 0.196 0.000 1.111 228 M CA -0.373 55.022 55.300 0.158 0.000 1.070 228 M CB -0.886 31.700 32.600 -0.024 0.000 1.525 228 M HN 0.383 8.841 8.290 0.281 0.000 0.517 229 D N -0.020 120.517 120.400 0.228 0.000 2.358 229 D HA 0.140 4.914 4.640 0.224 0.000 0.224 229 D C 0.676 177.094 176.300 0.197 0.000 1.123 229 D CA -0.620 53.505 54.000 0.209 0.000 0.833 229 D CB -0.198 40.704 40.800 0.170 0.000 0.946 229 D HN -0.581 7.874 8.370 0.231 0.053 0.505 230 F N 3.127 123.120 119.950 0.071 0.000 2.115 230 F HA -0.309 4.229 4.527 0.018 0.000 0.300 230 F C -2.049 173.745 175.800 -0.010 0.000 1.092 230 F CA 5.310 63.322 58.000 0.020 0.000 1.245 230 F CB -1.685 37.311 39.000 -0.007 0.000 0.995 230 F HN -0.776 7.675 8.300 0.386 0.081 0.481 231 P HA -0.154 4.200 4.420 -0.109 0.000 0.220 231 P C -0.126 177.101 177.300 -0.121 0.000 1.148 231 P CA 2.209 65.301 63.100 -0.014 0.000 0.803 231 P CB -0.499 31.284 31.700 0.139 0.000 0.782 232 I N -9.193 111.281 120.570 -0.159 0.000 3.684 232 I HA 0.108 4.008 4.170 -0.449 0.000 0.304 232 I C -0.475 175.332 176.117 -0.516 0.000 1.278 232 I CA -1.177 59.923 61.300 -0.333 0.000 1.272 232 I CB -0.157 37.756 38.000 -0.144 0.000 1.029 232 I HN -0.740 7.416 8.210 -0.057 0.020 0.458 233 L N 2.232 123.205 121.223 -0.417 0.000 2.456 233 L HA -0.124 4.119 4.340 -0.161 0.000 0.277 233 L C -0.958 175.666 176.870 -0.410 0.000 1.124 233 L CA 0.159 54.814 54.840 -0.308 0.000 0.880 233 L CB -0.644 41.247 42.059 -0.279 0.000 1.192 233 L HN -0.876 7.082 8.230 -0.367 0.052 0.463 234 H N 4.852 123.918 119.070 -0.007 0.000 2.581 234 H HA 0.270 4.780 4.556 -0.076 0.000 0.308 234 H C -1.051 174.310 175.328 0.054 0.000 1.040 234 H CA -0.979 55.053 56.048 -0.026 0.000 1.231 234 H CB 1.005 30.729 29.762 -0.063 0.000 1.396 234 H HN 0.389 8.666 8.280 -0.005 0.000 0.467 235 L N 3.913 125.185 121.223 0.083 0.000 3.108 235 L HA 0.238 4.564 4.340 -0.023 0.000 0.251 235 L C -1.179 175.691 176.870 -0.001 0.000 1.315 235 L CA -0.757 54.075 54.840 -0.015 0.000 1.048 235 L CB 0.528 42.520 42.059 -0.113 0.000 1.432 235 L HN 0.221 8.488 8.230 0.062 0.000 0.543 236 D N 0.581 121.004 120.400 0.040 0.000 2.434 236 D HA -0.165 4.473 4.640 -0.004 0.000 0.252 236 D C 1.385 177.688 176.300 0.005 0.000 1.185 236 D CA 1.992 55.998 54.000 0.009 0.000 0.886 236 D CB -0.412 40.388 40.800 -0.001 0.000 1.148 236 D HN -0.300 8.049 8.370 0.078 0.067 0.483 237 G N 3.761 112.556 108.800 -0.009 0.000 2.175 237 G HA2 -0.424 3.531 3.960 -0.009 0.000 0.244 237 G HA3 -0.424 3.534 3.960 -0.004 0.000 0.244 237 G C -0.498 174.387 174.900 -0.024 0.000 0.982 237 G CA 0.331 45.425 45.100 -0.010 0.000 0.641 237 G HN 0.818 9.101 8.290 -0.012 0.000 0.527 238 I N -0.513 120.032 120.570 -0.043 0.000 3.443 238 I HA 0.120 4.249 4.170 -0.069 0.000 0.277 238 I C -0.734 175.346 176.117 -0.061 0.000 1.169 238 I CA 0.596 61.851 61.300 -0.075 0.000 1.419 238 I CB 2.409 40.321 38.000 -0.146 0.000 1.331 238 I HN -0.422 7.603 8.210 -0.040 0.162 0.458 239 V N -0.964 118.921 119.914 -0.049 0.000 2.546 239 V HA -0.137 3.970 4.120 -0.021 0.000 0.284 239 V C -1.235 174.857 176.094 -0.004 0.000 1.050 239 V CA 0.240 62.526 62.300 -0.024 0.000 0.981 239 V CB 0.414 32.224 31.823 -0.021 0.000 0.990 239 V HN -0.677 7.484 8.190 -0.048 0.000 0.474 240 E N 5.244 125.452 120.200 0.013 0.000 2.355 240 E HA 0.238 4.594 4.350 0.010 0.000 0.261 240 E C 0.035 176.650 176.600 0.025 0.000 0.943 240 E CA -2.033 54.377 56.400 0.018 0.000 0.806 240 E CB 1.750 31.465 29.700 0.024 0.000 1.286 240 E HN -0.072 8.301 8.360 0.022 0.000 0.424 241 D N 0.353 120.765 120.400 0.021 0.000 2.221 241 D HA -0.230 4.423 4.640 0.022 0.000 0.204 241 D C 0.516 176.834 176.300 0.030 0.000 0.982 241 D CA 2.669 56.683 54.000 0.023 0.000 0.857 241 D CB -0.401 40.409 40.800 0.017 0.000 0.934 241 D HN 0.427 8.808 8.370 0.018 0.000 0.475 242 S N -6.935 108.786 115.700 0.035 0.000 2.548 242 S HA -0.111 4.378 4.470 0.033 0.000 0.215 242 S C 0.324 174.958 174.600 0.057 0.000 0.976 242 S CA 0.588 58.812 58.200 0.041 0.000 0.908 242 S CB 0.356 63.582 63.200 0.043 0.000 0.781 242 S HN -0.526 7.770 8.310 0.035 0.035 0.519 243 S N 3.662 119.402 115.700 0.067 0.000 2.579 243 S HA -0.117 4.543 4.470 0.124 -0.115 0.275 243 S C 0.054 174.710 174.600 0.094 0.000 1.345 243 S CA 1.471 59.729 58.200 0.096 0.000 1.031 243 S CB 0.531 63.780 63.200 0.082 0.000 0.892 243 S HN -0.697 7.534 8.310 0.057 0.113 0.529 244 N N 3.249 122.027 118.700 0.130 0.000 2.696 244 N HA 0.238 5.031 4.740 0.089 0.000 0.246 244 N C -2.067 173.565 175.510 0.205 0.000 1.057 244 N CA -0.410 52.705 53.050 0.109 0.000 0.867 244 N CB 1.567 40.057 38.487 0.006 0.000 1.141 244 N HN 0.300 8.788 8.380 0.179 0.000 0.517 245 I N 3.188 123.877 120.570 0.198 0.000 2.411 245 I HA 0.156 4.508 4.170 0.305 0.000 0.284 245 I C -2.212 174.062 176.117 0.261 0.000 1.012 245 I CA -0.584 60.868 61.300 0.253 0.000 1.119 245 I CB 1.694 39.804 38.000 0.184 0.000 1.261 245 I HN 0.326 8.637 8.210 0.168 0.000 0.448 246 L N 6.127 127.408 121.223 0.097 0.000 2.333 246 L HA 1.065 5.489 4.340 -0.176 -0.190 0.269 246 L C -0.641 175.703 176.870 -0.877 0.000 1.010 246 L CA -1.946 52.752 54.840 -0.237 0.000 0.818 246 L CB 3.564 45.524 42.059 -0.165 0.000 1.306 246 L HN 0.401 8.699 8.230 0.114 0.000 0.430 247 G N -1.762 106.068 108.800 -1.617 0.000 2.570 247 G HA2 0.593 3.549 3.960 -1.673 0.000 0.310 247 G HA3 0.593 2.757 3.960 -2.994 0.000 0.310 247 G C -2.627 171.302 174.900 -1.618 0.000 1.266 247 G CA 0.596 44.438 45.100 -2.097 0.000 0.825 247 G HN -0.026 7.482 8.290 -1.305 0.000 0.483 248 F N -2.845 116.774 119.950 -0.551 0.000 2.593 248 F HA 0.997 5.602 4.527 -0.218 -0.209 0.320 248 F C -1.549 174.223 175.800 -0.046 0.000 1.060 248 F CA -2.216 55.648 58.000 -0.226 0.000 0.940 248 F CB 4.785 43.667 39.000 -0.195 0.000 1.268 248 F HN 0.001 8.013 8.300 -0.481 0.000 0.475 249 S N -2.008 113.793 115.700 0.169 0.000 2.547 249 S HA 0.495 5.061 4.470 0.160 0.000 0.281 249 S C -0.045 174.592 174.600 0.061 0.000 1.118 249 S CA -2.538 55.745 58.200 0.138 0.000 0.947 249 S CB 2.214 65.497 63.200 0.139 0.000 1.053 249 S HN 0.064 8.472 8.310 0.163 0.000 0.482 250 M N 5.581 125.142 119.600 -0.065 0.000 2.514 250 M HA 0.126 4.574 4.480 -0.054 0.000 0.258 250 M C 0.297 176.501 176.300 -0.161 0.000 1.119 250 M CA 1.752 56.962 55.300 -0.151 0.000 1.111 250 M CB 0.960 33.379 32.600 -0.300 0.000 1.390 250 M HN 0.809 9.024 8.290 -0.126 0.000 0.475 251 F N 0.466 120.400 119.950 -0.027 0.000 2.538 251 F HA -0.112 4.562 4.527 -0.066 -0.187 0.371 251 F C 0.074 175.774 175.800 -0.167 0.000 1.087 251 F CA 0.822 58.770 58.000 -0.087 0.000 1.250 251 F CB 0.240 39.190 39.000 -0.083 0.000 1.110 251 F HN -0.843 7.459 8.300 0.070 0.040 0.570 252 N N 3.892 122.603 118.700 0.019 0.000 2.558 252 N HA 0.216 4.917 4.740 -0.066 0.000 0.233 252 N C 0.835 176.216 175.510 -0.216 0.000 1.038 252 N CA -1.678 51.336 53.050 -0.059 0.000 0.934 252 N CB -0.158 38.331 38.487 0.003 0.000 1.175 252 N HN 0.133 8.541 8.380 0.048 0.000 0.512 253 T N 2.325 116.642 114.554 -0.396 0.000 3.113 253 T HA -0.103 3.382 4.350 -1.443 0.000 0.263 253 T C 0.772 175.360 174.700 -0.186 0.000 1.143 253 T CA 1.835 63.520 62.100 -0.692 0.000 1.090 253 T CB -0.302 68.224 68.868 -0.570 0.000 0.922 253 T HN 0.282 8.348 8.240 -0.290 0.000 0.521 254 S N -0.754 114.905 115.700 -0.070 0.000 2.593 254 S HA 0.006 4.490 4.470 0.024 0.000 0.217 254 S C -0.236 174.404 174.600 0.067 0.000 0.966 254 S CA 0.439 58.646 58.200 0.011 0.000 0.914 254 S CB 0.703 63.900 63.200 -0.005 0.000 0.776 254 S HN -0.575 7.885 8.310 -0.082 -0.199 0.523 255 H N 5.227 124.303 119.070 0.010 0.000 3.001 255 H HA 0.038 4.612 4.556 0.028 0.000 0.334 255 H C 0.195 175.597 175.328 0.124 0.000 1.034 255 H CA 0.405 56.487 56.048 0.056 0.000 1.420 255 H CB 1.408 31.208 29.762 0.064 0.000 1.405 255 H HN -0.687 7.543 8.280 0.165 0.150 0.593 256 P HA -0.139 4.335 4.420 0.089 0.000 0.222 256 P C -0.479 177.003 177.300 0.303 0.000 1.147 256 P CA 1.774 64.925 63.100 0.086 0.000 0.790 256 P CB 0.170 31.864 31.700 -0.010 0.000 0.780 257 F N -3.405 116.783 119.950 0.396 0.000 2.776 257 F HA 0.047 4.706 4.527 0.221 0.000 0.300 257 F C -0.123 175.807 175.800 0.217 0.000 1.116 257 F CA -1.172 57.012 58.000 0.306 0.000 1.375 257 F CB 1.635 40.833 39.000 0.331 0.000 1.109 257 F HN -0.556 8.321 8.300 1.006 0.027 0.585 258 Y N 1.969 122.361 120.300 0.153 0.000 2.128 258 Y HA -0.339 4.180 4.550 -0.053 0.000 0.284 258 Y C -1.787 174.075 175.900 -0.064 0.000 1.154 258 Y CA 6.265 64.365 58.100 -0.000 0.000 1.149 258 Y CB -2.534 35.953 38.460 0.046 0.000 0.976 258 Y HN -0.353 8.085 8.280 0.526 0.158 0.505 259 P HA -0.294 4.022 4.420 -0.174 0.000 0.216 259 P C 1.677 178.802 177.300 -0.293 0.000 1.150 259 P CA 3.326 66.336 63.100 -0.150 0.000 0.837 259 P CB -0.532 31.158 31.700 -0.016 0.000 0.786 260 E N -1.527 118.432 120.200 -0.400 0.000 2.107 260 E HA -0.252 3.900 4.350 -0.330 0.000 0.191 260 E C 1.972 178.212 176.600 -0.601 0.000 0.982 260 E CA 2.735 58.827 56.400 -0.512 0.000 0.809 260 E CB -0.319 28.988 29.700 -0.656 0.000 0.756 260 E HN -0.613 7.507 8.360 -0.400 0.000 0.459 261 F N 1.030 120.410 119.950 -0.951 0.000 2.069 261 F HA -0.424 3.829 4.527 -0.457 0.000 0.298 261 F C 1.272 176.827 175.800 -0.409 0.000 1.113 261 F CA 3.910 61.547 58.000 -0.605 0.000 1.214 261 F CB 0.212 38.891 39.000 -0.535 0.000 0.978 261 F HN -0.167 7.647 8.300 -0.809 0.000 0.474 262 V N -0.254 119.402 119.914 -0.429 0.000 2.343 262 V HA -0.597 3.328 4.120 -0.325 0.000 0.247 262 V C 2.120 178.037 176.094 -0.295 0.000 1.051 262 V CA 3.976 66.053 62.300 -0.372 0.000 1.036 262 V CB -0.192 31.368 31.823 -0.438 0.000 0.654 262 V HN -0.215 7.686 8.190 -0.481 0.000 0.451 263 R N -0.672 119.655 120.500 -0.287 0.000 2.092 263 R HA -0.374 3.834 4.340 -0.220 0.000 0.231 263 R C 2.318 178.460 176.300 -0.264 0.000 1.119 263 R CA 3.708 59.665 56.100 -0.238 0.000 0.970 263 R CB -0.193 29.998 30.300 -0.181 0.000 0.864 263 R HN -0.271 7.817 8.270 -0.302 0.000 0.440 264 S N 0.795 116.332 115.700 -0.272 0.000 2.368 264 S HA -0.232 4.140 4.470 -0.164 0.000 0.224 264 S C 2.325 176.764 174.600 -0.268 0.000 1.029 264 S CA 4.086 62.155 58.200 -0.219 0.000 0.988 264 S CB -0.599 62.504 63.200 -0.162 0.000 0.838 264 S HN -0.129 8.002 8.310 -0.299 0.000 0.462 265 L N 0.553 121.547 121.223 -0.380 0.000 2.141 265 L HA -0.326 3.867 4.340 -0.244 0.000 0.209 265 L C 1.825 178.356 176.870 -0.566 0.000 1.094 265 L CA 2.681 57.309 54.840 -0.352 0.000 0.763 265 L CB -0.579 41.288 42.059 -0.320 0.000 0.908 265 L HN -0.295 7.667 8.230 -0.447 0.000 0.437 266 N N 0.082 118.260 118.700 -0.869 0.000 2.106 266 N HA -0.257 3.179 4.740 -2.173 0.000 0.188 266 N C 2.118 177.345 175.510 -0.472 0.000 1.029 266 N CA 2.957 55.286 53.050 -1.201 0.000 0.848 266 N CB -0.025 37.992 38.487 -0.784 0.000 1.007 266 N HN -0.278 7.606 8.380 -0.668 0.096 0.423 267 M N -0.791 118.634 119.600 -0.293 0.000 2.117 267 M HA -0.402 4.002 4.480 -0.126 0.000 0.262 267 M C 2.060 178.302 176.300 -0.098 0.000 1.065 267 M CA 4.086 59.295 55.300 -0.151 0.000 1.114 267 M CB -0.122 32.406 32.600 -0.119 0.000 1.361 267 M HN -0.046 8.063 8.290 -0.302 0.000 0.408 268 S N -0.865 114.772 115.700 -0.105 0.000 2.370 268 S HA -0.340 4.099 4.470 -0.052 0.000 0.226 268 S C 1.974 176.567 174.600 -0.012 0.000 1.033 268 S CA 3.167 61.334 58.200 -0.054 0.000 1.011 268 S CB 0.025 63.197 63.200 -0.045 0.000 0.852 268 S HN -0.577 7.647 8.310 -0.144 0.000 0.457 269 W N 1.647 122.821 121.300 -0.209 0.000 2.381 269 W HA -0.147 4.466 4.660 -0.078 0.000 0.301 269 W C 1.278 177.736 176.519 -0.102 0.000 1.205 269 W CA 2.650 59.912 57.345 -0.139 0.000 1.285 269 W CB 0.156 29.513 29.460 -0.171 0.000 1.133 269 W HN -0.928 7.187 8.180 0.042 0.090 0.521 270 R N -5.676 114.921 120.500 0.163 0.000 2.323 270 R HA -0.139 4.302 4.340 0.169 0.000 0.198 270 R C 0.749 177.055 176.300 0.011 0.000 0.988 270 R CA 1.933 58.096 56.100 0.104 0.000 1.041 270 R CB -0.605 29.728 30.300 0.056 0.000 0.926 270 R HN -0.271 8.054 8.270 0.092 0.000 0.476 271 E N -1.964 118.222 120.200 -0.024 0.000 2.166 271 E HA -0.016 4.312 4.350 -0.036 0.000 0.192 271 E C 0.647 177.203 176.600 -0.074 0.000 0.967 271 E CA 1.537 57.910 56.400 -0.045 0.000 0.840 271 E CB 0.649 30.321 29.700 -0.046 0.000 0.795 271 E HN -0.674 7.506 8.360 -0.023 0.166 0.470 272 N N -3.224 115.403 118.700 -0.121 0.000 2.171 272 N HA 0.094 4.758 4.740 -0.125 0.000 0.212 272 N C -0.286 175.073 175.510 -0.252 0.000 1.184 272 N CA 0.854 53.806 53.050 -0.164 0.000 0.888 272 N CB 2.579 40.967 38.487 -0.165 0.000 1.038 272 N HN -0.455 7.742 8.380 -0.133 0.103 0.517 273 c N -0.184 118.228 118.600 -0.313 0.000 3.370 273 c HA 0.208 4.586 4.570 -0.321 0.000 0.190 273 c C -0.696 173.285 174.090 -0.181 0.000 1.647 273 c CA -1.173 54.914 56.329 -0.405 0.000 1.277 273 c CB 0.219 42.129 42.510 -1.001 0.000 2.037 273 c HN -0.244 7.833 8.230 -0.255 0.000 0.537 274 E N 1.808 121.955 120.200 -0.088 0.000 2.396 274 E HA -0.367 3.994 4.350 0.018 0.000 0.200 274 E C -0.335 176.272 176.600 0.011 0.000 1.023 274 E CA 2.317 58.709 56.400 -0.014 0.000 0.857 274 E CB -0.825 28.862 29.700 -0.020 0.000 0.775 274 E HN 0.396 8.697 8.360 -0.099 0.000 0.525 275 A N -1.922 120.892 122.820 -0.010 0.000 1.843 275 A HA -0.091 4.239 4.320 0.017 0.000 0.213 275 A C 0.579 178.211 177.584 0.081 0.000 1.202 275 A CA 0.804 52.851 52.037 0.017 0.000 0.607 275 A CB 0.209 19.201 19.000 -0.013 0.000 0.847 275 A HN 0.112 8.093 8.150 -0.053 0.137 0.445 276 S N -1.911 113.875 115.700 0.143 0.000 2.681 276 S HA 0.187 4.779 4.470 0.203 0.000 0.270 276 S C -1.515 173.357 174.600 0.453 0.000 1.209 276 S CA -0.395 57.984 58.200 0.299 0.000 0.988 276 S CB 1.014 64.481 63.200 0.444 0.000 1.006 276 S HN -0.355 8.007 8.310 0.086 0.000 0.558 277 T N 1.787 116.526 114.554 0.310 0.000 2.771 277 T HA 0.130 4.590 4.350 0.185 0.000 0.281 277 T C -1.156 173.439 174.700 -0.177 0.000 0.982 277 T CA -0.969 61.204 62.100 0.121 0.000 0.978 277 T CB 0.909 69.759 68.868 -0.029 0.000 0.930 277 T HN 0.011 8.390 8.240 0.232 0.000 0.447 278 Y N 8.958 128.834 120.300 -0.707 0.000 2.729 278 Y HA -0.085 2.950 4.550 -2.525 0.000 0.331 278 Y C -1.042 174.440 175.900 -0.698 0.000 1.208 278 Y CA -0.681 56.587 58.100 -1.388 0.000 1.521 278 Y CB 0.387 38.230 38.460 -1.028 0.000 1.233 278 Y HN 0.273 8.416 8.280 -0.229 0.000 0.539 279 P HA 0.231 4.540 4.420 -0.186 0.000 0.255 279 P C -1.454 175.542 177.300 -0.506 0.000 1.248 279 P CA -0.244 62.612 63.100 -0.405 0.000 0.807 279 P CB 1.914 33.512 31.700 -0.171 0.000 1.150 280 G N -1.421 106.567 108.800 -1.352 0.000 2.541 280 G HA2 -0.197 3.153 3.960 -1.016 0.000 0.686 280 G HA3 -0.197 3.459 3.960 -0.506 0.000 0.686 280 G C -2.835 171.675 174.900 -0.649 0.000 1.286 280 G CA -0.747 43.791 45.100 -0.938 0.000 0.894 280 G HN -0.491 6.274 8.290 -2.447 0.057 0.575 281 P HA -0.003 4.456 4.420 0.066 0.000 0.276 281 P C -1.438 175.966 177.300 0.174 0.000 1.235 281 P CA -0.299 62.799 63.100 -0.003 0.000 0.772 281 P CB 0.913 32.624 31.700 0.018 0.000 0.871 282 A N 2.393 125.367 122.820 0.256 0.000 2.425 282 A HA -0.153 4.329 4.320 0.271 0.000 0.249 282 A C 0.910 178.785 177.584 0.486 0.000 1.084 282 A CA -0.319 51.907 52.037 0.315 0.000 0.781 282 A CB 1.162 20.308 19.000 0.244 0.000 1.019 282 A HN -0.170 8.117 8.150 0.229 0.000 0.490 283 L N 2.262 123.729 121.223 0.406 0.000 2.083 283 L HA -0.297 4.135 4.340 0.154 0.000 0.209 283 L C 1.158 178.150 176.870 0.204 0.000 1.083 283 L CA 2.960 57.928 54.840 0.213 0.000 0.752 283 L CB 0.105 42.193 42.059 0.050 0.000 0.899 283 L HN 0.000 8.727 8.230 0.343 -0.291 0.433 284 S N -2.722 113.116 115.700 0.230 0.000 2.402 284 S HA -0.331 4.253 4.470 0.190 0.000 0.229 284 S C 1.510 176.260 174.600 0.251 0.000 1.021 284 S CA 2.736 61.061 58.200 0.208 0.000 0.974 284 S CB -0.505 62.798 63.200 0.172 0.000 0.800 284 S HN 0.067 8.517 8.310 0.233 0.000 0.484 285 A N 1.699 124.715 122.820 0.327 0.000 1.898 285 A HA -0.207 4.329 4.320 0.360 0.000 0.216 285 A C 1.581 179.485 177.584 0.533 0.000 1.181 285 A CA 2.658 54.950 52.037 0.425 0.000 0.620 285 A CB -0.891 18.378 19.000 0.450 0.000 0.819 285 A HN -0.574 7.766 8.150 0.335 0.011 0.442 286 A N -1.777 121.333 122.820 0.483 0.000 1.933 286 A HA -0.331 3.960 4.320 -0.048 0.000 0.218 286 A C 1.859 179.541 177.584 0.164 0.000 1.175 286 A CA 2.770 54.917 52.037 0.185 0.000 0.628 286 A CB -0.603 18.506 19.000 0.181 0.000 0.814 286 A HN -0.639 7.819 8.150 0.513 0.000 0.444 287 L N -1.857 119.462 121.223 0.159 0.000 2.056 287 L HA -0.388 4.016 4.340 0.108 0.000 0.207 287 L C 2.422 179.405 176.870 0.190 0.000 1.078 287 L CA 2.971 57.895 54.840 0.140 0.000 0.749 287 L CB -0.243 41.891 42.059 0.126 0.000 0.901 287 L HN -0.062 8.269 8.230 0.168 0.000 0.433 288 M N -1.495 118.242 119.600 0.227 0.000 2.117 288 M HA -0.399 4.182 4.480 0.168 0.000 0.262 288 M C 2.352 178.805 176.300 0.255 0.000 1.065 288 M CA 2.625 58.057 55.300 0.220 0.000 1.114 288 M CB -0.862 31.878 32.600 0.232 0.000 1.361 288 M HN -0.372 8.063 8.290 0.243 0.000 0.408 289 F N 1.526 121.585 119.950 0.182 0.000 2.069 289 F HA -0.403 4.258 4.527 0.223 0.000 0.298 289 F C 1.641 177.558 175.800 0.196 0.000 1.113 289 F CA 3.877 61.994 58.000 0.194 0.000 1.214 289 F CB 0.071 39.150 39.000 0.132 0.000 0.978 289 F HN -0.331 8.271 8.300 0.503 0.000 0.474 290 D N -1.098 119.524 120.400 0.371 0.000 2.144 290 D HA -0.305 4.517 4.640 0.303 0.000 0.199 290 D C 2.151 178.498 176.300 0.080 0.000 0.984 290 D CA 2.960 57.131 54.000 0.285 0.000 0.834 290 D CB -0.537 40.475 40.800 0.354 0.000 0.955 290 D HN -0.383 8.227 8.370 0.400 0.000 0.465 291 A N -0.271 122.609 122.820 0.099 0.000 1.902 291 A HA -0.240 4.122 4.320 0.070 0.000 0.217 291 A C 2.032 179.600 177.584 -0.027 0.000 1.181 291 A CA 3.116 55.185 52.037 0.053 0.000 0.623 291 A CB -0.667 18.378 19.000 0.074 0.000 0.818 291 A HN -0.185 7.964 8.150 0.139 0.084 0.443 292 V N -0.610 119.266 119.914 -0.064 0.000 2.295 292 V HA -0.579 3.468 4.120 -0.123 0.000 0.246 292 V C 2.327 178.254 176.094 -0.278 0.000 1.049 292 V CA 4.582 66.783 62.300 -0.165 0.000 1.024 292 V CB -0.062 31.625 31.823 -0.226 0.000 0.648 292 V HN -0.587 7.585 8.190 -0.031 0.000 0.447 293 H N -0.956 117.869 119.070 -0.408 0.000 2.387 293 H HA -0.335 3.974 4.556 -0.412 0.000 0.299 293 H C 2.563 177.603 175.328 -0.481 0.000 1.099 293 H CA 4.730 60.451 56.048 -0.545 0.000 1.315 293 H CB -0.369 28.810 29.762 -0.972 0.000 1.380 293 H HN -0.811 7.363 8.280 -0.177 0.000 0.513 294 V N -0.276 119.470 119.914 -0.280 0.000 2.307 294 V HA -0.610 3.445 4.120 -0.108 0.000 0.245 294 V C 1.388 177.463 176.094 -0.032 0.000 1.045 294 V CA 4.469 66.709 62.300 -0.100 0.000 1.024 294 V CB -0.199 31.668 31.823 0.074 0.000 0.651 294 V HN -0.429 7.611 8.190 -0.250 0.000 0.449 295 V N 0.130 120.014 119.914 -0.050 0.000 2.295 295 V HA -0.560 3.561 4.120 0.001 0.000 0.246 295 V C 1.972 178.038 176.094 -0.046 0.000 1.049 295 V CA 4.844 67.126 62.300 -0.030 0.000 1.024 295 V CB -0.202 31.599 31.823 -0.036 0.000 0.648 295 V HN -0.453 7.697 8.190 -0.066 0.000 0.447 296 V N -0.841 119.012 119.914 -0.102 0.000 2.332 296 V HA -0.635 3.435 4.120 -0.084 0.000 0.248 296 V C 1.580 177.636 176.094 -0.062 0.000 1.055 296 V CA 4.869 67.108 62.300 -0.103 0.000 1.038 296 V CB -0.478 31.240 31.823 -0.176 0.000 0.651 296 V HN -0.269 7.836 8.190 -0.143 0.000 0.450 297 S N -0.650 115.018 115.700 -0.053 0.000 2.353 297 S HA -0.442 4.032 4.470 0.007 0.000 0.222 297 S C 1.931 176.552 174.600 0.036 0.000 1.035 297 S CA 3.540 61.743 58.200 0.005 0.000 1.025 297 S CB -0.156 63.062 63.200 0.030 0.000 0.902 297 S HN -0.272 7.989 8.310 -0.082 0.000 0.440 298 A N 1.380 124.232 122.820 0.053 0.000 1.902 298 A HA -0.263 4.146 4.320 0.148 0.000 0.217 298 A C 1.968 179.548 177.584 -0.007 0.000 1.181 298 A CA 2.962 55.052 52.037 0.089 0.000 0.623 298 A CB -0.524 18.548 19.000 0.120 0.000 0.818 298 A HN -0.525 7.652 8.150 0.045 0.000 0.443 299 V N -1.417 118.486 119.914 -0.019 0.000 2.343 299 V HA -0.606 3.472 4.120 -0.071 0.000 0.247 299 V C 2.322 178.358 176.094 -0.096 0.000 1.051 299 V CA 4.420 66.689 62.300 -0.051 0.000 1.036 299 V CB -0.322 31.498 31.823 -0.005 0.000 0.654 299 V HN -0.052 8.135 8.190 -0.004 0.000 0.451 300 R N -1.565 118.896 120.500 -0.065 0.000 2.115 300 R HA -0.370 3.931 4.340 -0.066 0.000 0.230 300 R C 1.819 178.074 176.300 -0.075 0.000 1.111 300 R CA 3.441 59.505 56.100 -0.061 0.000 0.976 300 R CB -0.279 30.002 30.300 -0.033 0.000 0.870 300 R HN -0.390 7.853 8.270 -0.046 0.000 0.445 301 E N -1.418 118.740 120.200 -0.070 0.000 2.072 301 E HA -0.148 4.197 4.350 -0.007 0.000 0.190 301 E C 2.759 179.191 176.600 -0.279 0.000 0.982 301 E CA 2.168 58.539 56.400 -0.049 0.000 0.803 301 E CB -0.203 29.573 29.700 0.127 0.000 0.755 301 E HN -0.781 7.538 8.360 -0.048 0.012 0.453 302 L N 0.469 121.310 121.223 -0.637 0.000 2.079 302 L HA -0.297 3.110 4.340 -1.555 0.000 0.210 302 L C 1.000 177.611 176.870 -0.432 0.000 1.081 302 L CA 2.750 57.009 54.840 -0.968 0.000 0.752 302 L CB -0.169 41.389 42.059 -0.834 0.000 0.896 302 L HN -0.032 7.882 8.230 -0.526 0.000 0.433 303 N N -4.256 114.280 118.700 -0.274 0.000 2.515 303 N HA -0.101 4.708 4.740 -0.195 -0.185 0.185 303 N C 0.939 176.380 175.510 -0.115 0.000 1.109 303 N CA 1.020 53.964 53.050 -0.177 0.000 0.903 303 N CB 0.251 38.661 38.487 -0.129 0.000 0.969 303 N HN -0.372 7.751 8.380 -0.253 0.105 0.450 304 R N -1.930 118.511 120.500 -0.099 0.000 2.236 304 R HA -0.112 4.203 4.340 -0.041 0.000 0.208 304 R C 0.857 177.138 176.300 -0.033 0.000 1.036 304 R CA 2.072 58.144 56.100 -0.047 0.000 1.001 304 R CB 0.354 30.643 30.300 -0.018 0.000 0.896 304 R HN -0.628 7.408 8.270 -0.122 0.160 0.464 305 S N -2.176 113.496 115.700 -0.047 0.000 2.731 305 S HA 0.075 4.540 4.470 -0.009 0.000 0.244 305 S C 0.425 175.004 174.600 -0.036 0.000 1.084 305 S CA 0.880 59.068 58.200 -0.021 0.000 0.877 305 S CB 1.793 65.001 63.200 0.014 0.000 0.798 305 S HN -0.612 7.614 8.310 -0.079 0.036 0.496 306 Q N 2.176 121.931 119.800 -0.075 0.000 2.266 306 Q HA 0.193 4.507 4.340 -0.044 0.000 0.261 306 Q C -1.596 174.336 176.000 -0.114 0.000 0.985 306 Q CA -0.581 55.175 55.803 -0.080 0.000 0.873 306 Q CB 2.229 30.910 28.738 -0.096 0.000 1.306 306 Q HN -0.794 7.412 8.270 -0.107 0.000 0.447 307 E N 3.587 123.738 120.200 -0.081 0.000 2.070 307 E HA 0.088 4.386 4.350 -0.087 0.000 0.282 307 E C -0.382 176.120 176.600 -0.163 0.000 1.104 307 E CA -0.321 56.029 56.400 -0.084 0.000 0.876 307 E CB -0.195 29.489 29.700 -0.027 0.000 1.055 307 E HN 0.254 8.586 8.360 -0.046 0.000 0.401 308 I N 8.169 128.592 120.570 -0.245 0.000 2.379 308 I HA -0.075 3.506 4.170 -0.980 0.000 0.290 308 I C -0.004 176.060 176.117 -0.089 0.000 1.063 308 I CA 0.114 61.154 61.300 -0.434 0.000 1.351 308 I CB 0.093 37.914 38.000 -0.297 0.000 1.410 308 I HN -0.483 7.814 8.210 -0.188 -0.200 0.505 309 G N 8.108 116.977 108.800 0.115 0.000 2.389 309 G HA2 0.358 4.415 3.960 0.163 0.000 0.328 309 G HA3 0.358 4.491 3.960 0.289 0.000 0.328 309 G C -2.553 172.617 174.900 0.449 0.000 1.133 309 G CA -1.335 43.926 45.100 0.269 0.000 0.891 309 G HN -0.182 8.231 8.290 0.205 0.000 0.485 310 V N 2.377 122.439 119.914 0.247 0.000 2.447 310 V HA 0.152 4.398 4.120 0.211 0.000 0.292 310 V C -0.486 175.643 176.094 0.058 0.000 1.021 310 V CA -0.434 61.946 62.300 0.134 0.000 0.850 310 V CB 1.205 33.005 31.823 -0.038 0.000 1.005 310 V HN 0.242 8.528 8.190 0.160 0.000 0.426 311 K N 8.258 128.697 120.400 0.065 0.000 2.208 311 K HA 0.463 4.800 4.320 0.028 0.000 0.247 311 K C -2.425 174.167 176.600 -0.014 0.000 0.953 311 K CA -3.228 53.081 56.287 0.037 0.000 0.837 311 K CB 0.162 32.706 32.500 0.073 0.000 1.131 311 K HN 0.127 8.441 8.250 0.106 0.000 0.431 312 P HA -0.114 4.278 4.420 -0.048 0.000 0.268 312 P C -0.951 176.339 177.300 -0.016 0.000 1.204 312 P CA 0.075 63.159 63.100 -0.027 0.000 0.768 312 P CB 0.329 32.021 31.700 -0.013 0.000 0.842 313 L N 1.716 122.920 121.223 -0.032 0.000 2.267 313 L HA 0.296 4.637 4.340 0.002 0.000 0.264 313 L C -1.497 175.361 176.870 -0.019 0.000 1.021 313 L CA -1.868 52.963 54.840 -0.015 0.000 0.861 313 L CB 3.276 45.327 42.059 -0.015 0.000 1.443 313 L HN -0.086 8.112 8.230 -0.053 0.000 0.475 314 A N -5.714 117.100 122.820 -0.010 0.000 2.549 314 A HA 0.344 4.652 4.320 -0.020 0.000 0.297 314 A C 0.869 178.450 177.584 -0.005 0.000 1.061 314 A CA -0.903 51.128 52.037 -0.011 0.000 0.690 314 A CB 2.351 21.349 19.000 -0.003 0.000 1.287 314 A HN -0.007 8.142 8.150 -0.002 0.000 0.402 315 c N -0.478 118.118 118.600 -0.008 0.000 2.401 315 c HA -0.293 4.281 4.570 0.006 0.000 0.276 315 c C 2.213 176.313 174.090 0.017 0.000 1.233 315 c CA 3.164 59.496 56.329 0.004 0.000 1.753 315 c CB -1.381 41.131 42.510 0.004 0.000 2.029 315 c HN 0.866 9.087 8.230 -0.014 0.000 0.478 316 T N -6.878 107.683 114.554 0.013 0.000 3.169 316 T HA -0.100 4.262 4.350 0.021 0.000 0.250 316 T C -0.463 174.247 174.700 0.016 0.000 1.111 316 T CA 0.117 62.226 62.100 0.016 0.000 1.010 316 T CB -0.575 68.300 68.868 0.012 0.000 0.984 316 T HN -0.138 8.090 8.240 0.008 0.017 0.537 317 S N 1.367 117.076 115.700 0.015 0.000 2.503 317 S HA 0.198 4.677 4.470 0.015 0.000 0.301 317 S C -0.500 174.112 174.600 0.020 0.000 1.087 317 S CA -1.744 56.466 58.200 0.016 0.000 1.042 317 S CB 1.807 65.016 63.200 0.014 0.000 1.043 317 S HN -0.696 7.452 8.310 0.014 0.170 0.489 318 A N 5.630 128.462 122.820 0.020 0.000 2.238 318 A HA 0.094 4.430 4.320 0.025 0.000 0.208 318 A C 0.086 177.684 177.584 0.025 0.000 1.177 318 A CA -0.130 51.921 52.037 0.022 0.000 0.804 318 A CB -0.346 18.665 19.000 0.018 0.000 0.823 318 A HN 0.563 8.724 8.150 0.018 0.000 0.482 319 N N -0.070 118.645 118.700 0.026 0.000 2.454 319 N HA -0.058 4.699 4.740 0.028 0.000 0.254 319 N C -1.020 174.519 175.510 0.049 0.000 1.228 319 N CA 0.749 53.819 53.050 0.033 0.000 0.900 319 N CB 0.702 39.209 38.487 0.033 0.000 1.089 319 N HN -0.695 7.634 8.380 0.023 0.065 0.449 320 I N -5.126 115.479 120.570 0.058 0.000 2.863 320 I HA 0.296 4.630 4.170 0.103 -0.103 0.311 320 I C -0.756 175.454 176.117 0.155 0.000 1.026 320 I CA -2.257 59.098 61.300 0.092 0.000 1.077 320 I CB 3.103 41.142 38.000 0.064 0.000 1.262 320 I HN -0.135 8.102 8.210 0.044 0.000 0.461 321 W N 5.094 126.379 121.300 -0.025 0.000 2.388 321 W HA 0.389 5.025 4.660 -0.040 0.000 0.308 321 W C -1.385 175.086 176.519 -0.081 0.000 1.263 321 W CA -2.080 55.245 57.345 -0.035 0.000 1.286 321 W CB -0.465 28.997 29.460 0.003 0.000 1.294 321 W HN 0.247 8.625 8.180 0.330 0.000 0.493 322 P HA -0.153 4.072 4.420 -0.325 0.000 0.226 322 P C -1.368 175.450 177.300 -0.803 0.000 1.153 322 P CA 1.225 63.998 63.100 -0.545 0.000 0.777 322 P CB 0.235 31.589 31.700 -0.577 0.000 0.794 323 H N -6.935 111.516 119.070 -1.032 0.000 2.586 323 H HA 0.133 4.333 4.556 -0.594 0.000 0.273 323 H C 1.183 175.937 175.328 -0.957 0.000 0.997 323 H CA 0.466 55.911 56.048 -1.006 0.000 1.177 323 H CB -0.188 28.882 29.762 -1.153 0.000 1.471 323 H HN -0.109 7.040 8.280 -1.820 0.039 0.538 324 G N -0.013 108.354 108.800 -0.722 0.000 2.421 324 G HA2 -0.315 3.595 3.960 -0.082 0.000 0.216 324 G HA3 -0.315 4.064 3.960 0.138 -0.336 0.216 324 G C 0.325 175.211 174.900 -0.023 0.000 1.171 324 G CA 2.172 47.189 45.100 -0.139 0.000 0.775 324 G HN -0.481 7.399 8.290 -0.683 0.000 0.543 325 T N 1.786 116.321 114.554 -0.032 0.000 2.746 325 T HA -0.421 3.974 4.350 0.076 0.000 0.267 325 T C 1.355 176.072 174.700 0.029 0.000 1.039 325 T CA 4.339 66.457 62.100 0.030 0.000 1.142 325 T CB -0.289 68.595 68.868 0.027 0.000 0.866 325 T HN 0.085 8.281 8.240 -0.073 0.000 0.444 326 S N 1.550 117.249 115.700 -0.003 0.000 2.382 326 S HA -0.187 4.342 4.470 0.098 0.000 0.228 326 S C 1.795 176.500 174.600 0.174 0.000 1.027 326 S CA 2.585 60.834 58.200 0.081 0.000 0.991 326 S CB -0.309 62.932 63.200 0.068 0.000 0.823 326 S HN -0.328 7.947 8.310 -0.059 0.000 0.469 327 L N 2.334 123.594 121.223 0.062 0.000 2.131 327 L HA -0.251 4.177 4.340 0.145 0.000 0.210 327 L C 1.146 178.104 176.870 0.147 0.000 1.092 327 L CA 2.755 57.662 54.840 0.112 0.000 0.759 327 L CB -0.334 41.777 42.059 0.087 0.000 0.903 327 L HN -0.165 7.962 8.230 -0.039 0.079 0.435 328 M N -2.308 117.350 119.600 0.097 0.000 2.117 328 M HA -0.429 4.066 4.480 0.025 0.000 0.262 328 M C 2.057 178.385 176.300 0.047 0.000 1.065 328 M CA 2.980 58.310 55.300 0.051 0.000 1.114 328 M CB -1.796 30.829 32.600 0.042 0.000 1.361 328 M HN -0.237 8.094 8.290 0.083 0.009 0.408 329 N N -0.155 118.584 118.700 0.065 0.000 2.120 329 N HA -0.300 4.430 4.740 -0.017 0.000 0.188 329 N C 2.763 178.249 175.510 -0.039 0.000 1.024 329 N CA 3.077 56.123 53.050 -0.008 0.000 0.852 329 N CB -0.528 37.924 38.487 -0.057 0.000 1.003 329 N HN -0.585 7.848 8.380 0.087 0.000 0.424 330 Y N -0.406 119.900 120.300 0.011 0.000 2.263 330 Y HA -0.284 4.285 4.550 0.033 0.000 0.292 330 Y C 2.934 178.858 175.900 0.041 0.000 1.130 330 Y CA 3.439 61.555 58.100 0.026 0.000 1.179 330 Y CB 0.086 38.557 38.460 0.018 0.000 0.998 330 Y HN -0.726 7.757 8.280 0.340 0.000 0.532 331 L N -0.205 121.115 121.223 0.161 0.000 2.012 331 L HA -0.419 3.992 4.340 0.118 0.000 0.210 331 L C 2.418 179.324 176.870 0.060 0.000 1.073 331 L CA 3.344 58.226 54.840 0.071 0.000 0.748 331 L CB -0.520 41.509 42.059 -0.050 0.000 0.891 331 L HN 0.334 8.659 8.230 0.159 0.000 0.431 332 R N -4.300 116.205 120.500 0.008 0.000 2.237 332 R HA -0.282 4.079 4.340 0.034 0.000 0.219 332 R C 1.041 177.466 176.300 0.209 0.000 1.080 332 R CA 2.656 58.799 56.100 0.071 0.000 0.995 332 R CB -0.028 30.280 30.300 0.014 0.000 0.875 332 R HN -0.463 7.804 8.270 -0.005 0.000 0.462 333 M N -4.042 115.644 119.600 0.143 0.000 2.371 333 M HA 0.041 4.588 4.480 0.111 0.000 0.246 333 M C 0.046 176.438 176.300 0.154 0.000 1.103 333 M CA -1.164 54.203 55.300 0.112 0.000 1.010 333 M CB 0.005 32.608 32.600 0.005 0.000 1.457 333 M HN -0.809 7.384 8.290 0.112 0.163 0.486 334 V N 1.172 121.227 119.914 0.235 0.000 2.763 334 V HA -0.271 3.959 4.120 0.183 0.000 0.306 334 V C -0.921 175.270 176.094 0.163 0.000 1.059 334 V CA 1.359 63.791 62.300 0.220 0.000 1.138 334 V CB 0.521 32.513 31.823 0.283 0.000 0.940 334 V HN -0.842 7.522 8.190 0.291 0.000 0.489 335 E N 5.033 125.317 120.200 0.140 0.000 2.216 335 E HA 0.658 5.208 4.350 0.057 -0.166 0.260 335 E C -1.385 175.320 176.600 0.176 0.000 0.880 335 E CA -1.498 54.962 56.400 0.100 0.000 0.765 335 E CB 2.050 31.787 29.700 0.063 0.000 1.174 335 E HN 0.036 8.484 8.360 0.147 0.000 0.417 336 Y N 5.668 125.969 120.300 0.001 0.000 2.433 336 Y HA 0.207 4.782 4.550 0.041 0.000 0.337 336 Y C -2.882 173.028 175.900 0.017 0.000 1.026 336 Y CA -0.799 57.317 58.100 0.027 0.000 1.037 336 Y CB 3.784 42.275 38.460 0.052 0.000 1.245 336 Y HN 0.356 8.714 8.280 0.130 0.000 0.443 337 D N 7.459 127.512 120.400 -0.578 0.000 2.380 337 D HA 0.090 4.504 4.640 -0.376 0.000 0.230 337 D C -0.739 175.082 176.300 -0.799 0.000 1.154 337 D CA 0.190 53.884 54.000 -0.509 0.000 0.859 337 D CB 0.298 40.965 40.800 -0.222 0.000 1.045 337 D HN 0.146 8.289 8.370 -0.377 0.000 0.495 338 G N 1.615 109.998 108.800 -0.695 0.000 2.820 338 G HA2 0.477 4.125 3.960 -0.521 0.000 0.291 338 G HA3 0.477 4.433 3.960 -0.369 -0.217 0.291 338 G C 0.110 174.858 174.900 -0.252 0.000 1.323 338 G CA -1.703 43.104 45.100 -0.489 0.000 1.055 338 G HN 0.302 8.297 8.290 -0.492 0.000 0.520 339 L N -1.595 119.397 121.223 -0.385 0.000 2.191 339 L HA -0.227 3.900 4.340 -0.356 0.000 0.212 339 L C 1.409 178.223 176.870 -0.094 0.000 1.103 339 L CA 2.416 57.071 54.840 -0.309 0.000 0.769 339 L CB 0.235 42.053 42.059 -0.402 0.000 0.908 339 L HN 0.026 8.360 8.230 -0.294 -0.281 0.438 340 T N -8.092 106.381 114.554 -0.135 0.000 3.251 340 T HA 0.158 4.474 4.350 -0.249 -0.116 0.259 340 T C 0.173 174.795 174.700 -0.130 0.000 0.998 340 T CA -1.176 60.811 62.100 -0.189 0.000 0.905 340 T CB -0.078 68.655 68.868 -0.225 0.000 1.067 340 T HN -0.387 8.042 8.240 -0.114 -0.258 0.569 341 G N 1.445 110.191 108.800 -0.090 0.000 2.545 341 G HA2 -0.487 3.446 3.960 -0.045 0.000 0.216 341 G HA3 -0.487 3.450 3.960 -0.038 0.000 0.216 341 G C -2.046 172.794 174.900 -0.100 0.000 1.314 341 G CA -0.592 44.470 45.100 -0.063 0.000 0.906 341 G HN -0.536 7.627 8.290 -0.083 0.077 0.563 342 R N 2.543 123.004 120.500 -0.064 0.000 2.401 342 R HA -0.012 4.368 4.340 -0.125 -0.115 0.299 342 R C -0.234 175.993 176.300 -0.121 0.000 1.064 342 R CA 0.321 56.369 56.100 -0.086 0.000 1.000 342 R CB 0.048 30.327 30.300 -0.034 0.000 0.973 342 R HN 0.209 8.464 8.270 -0.025 0.000 0.438 343 V N 8.141 127.967 119.914 -0.146 0.000 2.328 343 V HA 0.188 4.105 4.120 -0.338 0.000 0.278 343 V C -1.838 174.060 176.094 -0.327 0.000 1.021 343 V CA -0.226 61.934 62.300 -0.234 0.000 0.838 343 V CB 0.672 32.482 31.823 -0.022 0.000 0.999 343 V HN 0.664 8.774 8.190 -0.132 0.000 0.447 344 E N 4.917 124.800 120.200 -0.529 0.000 2.408 344 E HA 0.690 5.003 4.350 -0.379 -0.191 0.275 344 E C -1.252 174.945 176.600 -0.673 0.000 0.935 344 E CA -2.290 53.839 56.400 -0.452 0.000 0.775 344 E CB 5.107 34.718 29.700 -0.148 0.000 1.277 344 E HN 0.145 8.177 8.360 -0.546 0.000 0.455 345 F N -2.194 117.778 119.950 0.037 0.000 2.577 345 F HA 0.751 5.497 4.527 0.026 -0.202 0.318 345 F C -0.254 175.565 175.800 0.032 0.000 1.065 345 F CA -1.566 56.451 58.000 0.029 0.000 0.929 345 F CB 3.623 42.636 39.000 0.021 0.000 1.237 345 F HN 0.139 8.468 8.300 0.049 0.000 0.468 346 N N 1.167 120.008 118.700 0.234 0.000 2.476 346 N HA 0.165 4.976 4.740 0.119 0.000 0.287 346 N C 0.709 176.294 175.510 0.126 0.000 1.262 346 N CA -1.340 51.796 53.050 0.144 0.000 0.980 346 N CB 0.640 39.194 38.487 0.112 0.000 1.163 346 N HN 0.107 8.638 8.380 0.253 0.000 0.592 347 S N -2.589 113.161 115.700 0.082 0.000 2.474 347 S HA -0.224 4.281 4.470 0.057 0.000 0.235 347 S C 0.505 175.138 174.600 0.055 0.000 0.997 347 S CA 2.474 60.710 58.200 0.060 0.000 0.949 347 S CB -0.452 62.774 63.200 0.043 0.000 0.766 347 S HN 0.272 8.626 8.310 0.073 0.000 0.517 348 K N -0.922 119.517 120.400 0.065 0.000 2.404 348 K HA 0.085 4.435 4.320 0.050 0.000 0.194 348 K C 0.337 176.961 176.600 0.040 0.000 1.023 348 K CA -0.377 55.943 56.287 0.055 0.000 1.094 348 K CB 0.352 32.889 32.500 0.062 0.000 0.841 348 K HN -0.593 7.876 8.250 0.077 -0.173 0.523 349 G N -0.782 108.045 108.800 0.046 0.000 2.143 349 G HA2 -0.436 3.474 3.960 -0.084 0.000 0.248 349 G HA3 -0.436 3.465 3.960 -0.098 0.000 0.248 349 G C -1.168 173.795 174.900 0.105 0.000 0.991 349 G CA 0.275 45.361 45.100 -0.023 0.000 0.689 349 G HN -0.182 8.027 8.290 0.074 0.125 0.522 350 Q N -1.106 118.812 119.800 0.197 0.000 2.222 350 Q HA 0.256 4.718 4.340 0.203 0.000 0.252 350 Q C 0.049 176.218 176.000 0.281 0.000 0.926 350 Q CA -1.487 54.447 55.803 0.219 0.000 0.899 350 Q CB 1.772 30.598 28.738 0.148 0.000 1.250 350 Q HN -0.474 8.156 8.270 0.171 -0.258 0.441 351 R N 2.074 122.663 120.500 0.148 0.000 2.583 351 R HA 0.025 4.421 4.340 -0.248 -0.204 0.274 351 R C 0.154 176.505 176.300 0.085 0.000 0.998 351 R CA 0.722 56.755 56.100 -0.113 0.000 1.081 351 R CB -0.142 29.839 30.300 -0.530 0.000 0.940 351 R HN 0.315 8.656 8.270 0.118 0.000 0.413 352 T N 0.438 115.039 114.554 0.077 0.000 2.841 352 T HA 0.139 4.668 4.350 0.299 0.000 0.296 352 T C -1.379 173.429 174.700 0.180 0.000 1.166 352 T CA -1.666 60.551 62.100 0.195 0.000 1.007 352 T CB 2.428 71.356 68.868 0.100 0.000 1.253 352 T HN 0.136 8.333 8.240 -0.071 0.000 0.511 353 N N 1.555 120.307 118.700 0.087 0.000 2.725 353 N HA -0.387 4.322 4.740 -0.052 0.000 0.251 353 N C -2.059 173.487 175.510 0.059 0.000 1.031 353 N CA 1.436 54.493 53.050 0.012 0.000 0.720 353 N CB -1.378 37.109 38.487 -0.001 0.000 0.930 353 N HN 0.092 8.496 8.380 0.040 0.000 0.543 354 Y N -6.556 113.666 120.300 -0.129 0.000 2.790 354 Y HA 0.462 4.943 4.550 -0.115 0.000 0.323 354 Y C -2.256 173.538 175.900 -0.176 0.000 1.230 354 Y CA -2.895 55.128 58.100 -0.128 0.000 1.121 354 Y CB 2.958 41.350 38.460 -0.115 0.000 1.328 354 Y HN -0.393 7.814 8.280 -0.121 0.000 0.514 355 T N -3.009 111.445 114.554 -0.168 0.000 2.906 355 T HA 0.797 4.969 4.350 -0.564 -0.161 0.295 355 T C -1.274 173.394 174.700 -0.053 0.000 1.075 355 T CA -1.988 59.914 62.100 -0.330 0.000 1.005 355 T CB 3.153 71.791 68.868 -0.383 0.000 1.136 355 T HN -0.102 8.187 8.240 0.081 0.000 0.498 356 L N 0.746 121.967 121.223 -0.003 0.000 2.385 356 L HA 0.530 5.036 4.340 0.096 -0.109 0.273 356 L C -1.225 175.690 176.870 0.075 0.000 0.990 356 L CA -1.210 53.697 54.840 0.111 0.000 0.821 356 L CB 3.598 45.754 42.059 0.163 0.000 1.279 356 L HN 0.198 8.401 8.230 -0.046 0.000 0.412 357 R N 1.949 122.486 120.500 0.062 0.000 2.390 357 R HA 0.150 4.600 4.340 -0.003 -0.112 0.291 357 R C -0.503 175.839 176.300 0.069 0.000 1.070 357 R CA -0.168 55.952 56.100 0.032 0.000 1.014 357 R CB 1.035 31.341 30.300 0.009 0.000 1.007 357 R HN 0.252 8.559 8.270 0.061 0.000 0.466 358 I N 3.644 124.223 120.570 0.015 0.000 2.315 358 I HA 0.316 4.513 4.170 -0.207 -0.151 0.291 358 I C -1.201 174.841 176.117 -0.125 0.000 1.006 358 I CA -0.389 60.848 61.300 -0.105 0.000 1.265 358 I CB 0.446 38.397 38.000 -0.081 0.000 1.387 358 I HN 0.153 8.259 8.210 0.008 0.109 0.475 359 L N 6.001 127.102 121.223 -0.203 0.000 2.319 359 L HA 0.762 5.243 4.340 -0.010 -0.147 0.267 359 L C -1.448 175.425 176.870 0.005 0.000 1.011 359 L CA -2.016 52.795 54.840 -0.049 0.000 0.818 359 L CB 3.349 45.419 42.059 0.018 0.000 1.316 359 L HN 0.658 8.670 8.230 -0.362 0.000 0.432 360 E N 0.254 120.532 120.200 0.131 0.000 2.222 360 E HA 0.602 5.242 4.350 0.190 -0.176 0.267 360 E C -0.698 176.056 176.600 0.258 0.000 0.884 360 E CA -2.326 54.182 56.400 0.180 0.000 0.764 360 E CB 4.065 33.829 29.700 0.107 0.000 1.169 360 E HN 0.500 8.939 8.360 0.131 0.000 0.413 361 K N 5.788 126.349 120.400 0.267 0.000 2.326 361 K HA 0.112 4.654 4.320 0.174 -0.117 0.275 361 K C -0.196 176.465 176.600 0.101 0.000 1.018 361 K CA -0.593 55.789 56.287 0.158 0.000 0.962 361 K CB 0.252 32.793 32.500 0.068 0.000 0.953 361 K HN 0.041 8.472 8.250 0.303 0.000 0.475 362 S N -0.025 115.713 115.700 0.063 0.000 2.697 362 S HA 0.397 4.889 4.470 0.036 0.000 0.289 362 S C 1.075 175.675 174.600 0.001 0.000 1.149 362 S CA -1.937 56.282 58.200 0.032 0.000 0.850 362 S CB 3.238 66.458 63.200 0.033 0.000 1.151 362 S HN 0.277 8.502 8.310 0.054 0.117 0.491 363 R N -0.675 119.823 120.500 -0.004 0.000 2.148 363 R HA -0.294 4.036 4.340 -0.017 0.000 0.227 363 R C 0.984 177.264 176.300 -0.034 0.000 1.103 363 R CA 2.981 59.071 56.100 -0.017 0.000 0.983 363 R CB -0.016 30.277 30.300 -0.012 0.000 0.874 363 R HN 0.696 8.968 8.270 0.003 0.000 0.451 364 Q N -2.280 117.499 119.800 -0.036 0.000 2.322 364 Q HA 0.058 4.364 4.340 -0.058 0.000 0.203 364 Q C -0.034 175.906 176.000 -0.101 0.000 0.923 364 Q CA -0.188 55.581 55.803 -0.056 0.000 0.949 364 Q CB -0.664 28.051 28.738 -0.038 0.000 1.039 364 Q HN -0.243 7.989 8.270 -0.024 0.023 0.496 365 G N -1.392 107.339 108.800 -0.115 0.000 2.591 365 G HA2 -0.231 3.615 3.960 -0.189 0.000 0.226 365 G HA3 -0.231 3.515 3.960 -0.356 0.000 0.226 365 G C -2.137 172.627 174.900 -0.227 0.000 1.598 365 G CA -0.075 44.879 45.100 -0.244 0.000 1.349 365 G HN -0.274 7.785 8.290 -0.077 0.185 0.493 366 H N -0.489 118.586 119.070 0.008 0.000 2.981 366 H HA 0.593 5.349 4.556 0.034 -0.179 0.327 366 H C -1.958 173.395 175.328 0.042 0.000 1.342 366 H CA -1.438 54.629 56.048 0.031 0.000 1.123 366 H CB 2.626 32.415 29.762 0.046 0.000 1.851 366 H HN 0.078 8.083 8.280 -0.459 0.000 0.531 367 R N -0.161 120.489 120.500 0.250 0.000 2.621 367 R HA 0.277 4.705 4.340 0.148 0.000 0.292 367 R C -2.212 174.158 176.300 0.117 0.000 0.969 367 R CA -1.540 54.651 56.100 0.151 0.000 0.887 367 R CB 3.677 34.034 30.300 0.094 0.000 1.180 367 R HN 0.627 9.046 8.270 0.249 0.000 0.450 368 E N 6.895 127.145 120.200 0.084 0.000 2.259 368 E HA 0.054 4.537 4.350 0.031 -0.114 0.281 368 E C 0.122 176.741 176.600 0.031 0.000 1.037 368 E CA 0.687 57.113 56.400 0.043 0.000 0.854 368 E CB 0.511 30.230 29.700 0.031 0.000 1.051 368 E HN 0.425 8.836 8.360 0.085 0.000 0.409 369 I N 1.073 121.652 120.570 0.015 0.000 4.154 369 I HA 0.529 4.713 4.170 0.023 0.000 0.334 369 I C -0.442 175.682 176.117 0.011 0.000 1.371 369 I CA -0.701 60.608 61.300 0.016 0.000 1.110 369 I CB 1.368 39.379 38.000 0.018 0.000 1.085 369 I HN 0.607 8.818 8.210 0.001 0.000 0.398 370 G N -0.331 108.471 108.800 0.003 0.000 2.428 370 G HA2 0.135 4.107 3.960 0.020 0.000 0.304 370 G HA3 0.135 4.105 3.960 0.017 0.000 0.304 370 G C -3.068 171.829 174.900 -0.004 0.000 1.303 370 G CA 0.474 45.581 45.100 0.011 0.000 0.825 370 G HN -0.744 7.544 8.290 -0.003 0.000 0.484 371 V N -1.161 118.745 119.914 -0.013 0.000 2.841 371 V HA 0.467 4.684 4.120 -0.086 -0.148 0.310 371 V C -1.501 174.530 176.094 -0.106 0.000 1.090 371 V CA -1.142 61.080 62.300 -0.131 0.000 0.930 371 V CB 3.851 35.468 31.823 -0.343 0.000 1.014 371 V HN 0.149 8.350 8.190 0.019 0.000 0.425 372 W N 7.054 128.169 121.300 -0.308 0.000 2.429 372 W HA 0.365 4.948 4.660 -0.129 0.000 0.314 372 W C -2.610 173.644 176.519 -0.442 0.000 1.062 372 W CA -1.302 55.894 57.345 -0.247 0.000 1.211 372 W CB 2.725 32.088 29.460 -0.163 0.000 1.305 372 W HN 0.736 8.926 8.180 0.017 0.000 0.476 373 Y N 7.121 126.848 120.300 -0.956 0.000 2.335 373 Y HA 0.151 4.198 4.550 -0.839 0.000 0.339 373 Y C 0.466 175.378 175.900 -1.645 0.000 0.987 373 Y CA -0.690 56.805 58.100 -1.009 0.000 1.140 373 Y CB 0.702 38.827 38.460 -0.557 0.000 1.173 373 Y HN 0.181 8.119 8.280 -0.570 0.000 0.486 374 S N 5.203 119.999 115.700 -1.507 0.000 2.382 374 S HA -0.417 2.826 4.470 -2.045 0.000 0.228 374 S C 0.586 174.829 174.600 -0.596 0.000 1.027 374 S CA 2.317 59.699 58.200 -1.364 0.000 0.991 374 S CB 0.353 62.943 63.200 -1.017 0.000 0.823 374 S HN 0.307 7.874 8.310 -1.239 0.000 0.469 375 N N 0.023 118.478 118.700 -0.409 0.000 2.368 375 N HA -0.107 4.531 4.740 -0.170 0.000 0.176 375 N C 0.101 175.490 175.510 -0.203 0.000 1.021 375 N CA 1.077 53.995 53.050 -0.221 0.000 0.888 375 N CB 0.238 38.634 38.487 -0.153 0.000 0.995 375 N HN 0.075 8.197 8.380 -0.407 0.014 0.437 376 R N 0.000 120.349 120.500 -0.252 0.000 2.786 376 R HA 0.000 4.240 4.340 -0.166 0.000 0.208 376 R CA 0.000 55.976 56.100 -0.207 0.000 0.921 376 R CB 0.000 30.134 30.300 -0.277 0.000 0.687 376 R HN 0.000 8.097 8.270 -0.289 0.000 0.535