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 1dt5_1_C DATA FIRST_RESID 1 DATA SEQUENCE EVSQDLFNQF NLFAQYSAAA YcGKNNDAPA GTNITcTGNA cPEVEKADAT DATA SEQUENCE FLYSFEDSGV GDVTGFLALD NTNKLIVLSF RGSRSIENWI GNLNFDLKEI DATA SEQUENCE NDICSGCRGH DGFTSSWRSV ADTLRQKVED AVREHPDYRV VFTGHSLGGA DATA SEQUENCE LATVAGADLR GNGYDIDVFS YGAPRVGNRA FAEFLTVQTG GTLYRITHTN DATA SEQUENCE DIVPRLPPRE FGYSHSSPEY WIKSGTLVPV TRNDIVKIEG IDATGGNNQP DATA SEQUENCE NIPDIPAHLW YFGLIGTcL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1 E C 0.000 176.703 176.600 0.171 0.000 1.382 1 E CA 0.000 56.476 56.400 0.127 0.000 0.976 1 E CB 0.000 29.783 29.700 0.138 0.000 0.812 2 V N -0.091 119.931 119.914 0.179 0.000 2.960 2 V HA 0.812 4.932 4.120 -0.001 0.000 0.315 2 V C 0.579 176.728 176.094 0.092 0.000 1.087 2 V CA -0.373 62.034 62.300 0.178 0.000 0.982 2 V CB 1.777 33.736 31.823 0.227 0.000 1.039 2 V HN 0.205 8.395 8.190 -0.000 0.000 0.437 3 S N 1.214 116.943 115.700 0.050 0.000 2.596 3 S HA 0.125 4.595 4.470 -0.001 0.000 0.260 3 S C 0.910 175.518 174.600 0.014 0.000 1.336 3 S CA 0.863 59.074 58.200 0.018 0.000 0.993 3 S CB 0.898 64.101 63.200 0.004 0.000 0.923 3 S HN 1.079 9.389 8.310 -0.000 0.000 0.567 4 Q N 0.499 120.300 119.800 0.001 0.000 2.172 4 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 4 Q C 1.548 177.573 176.000 0.040 0.000 0.964 4 Q CA 2.210 58.025 55.803 0.019 0.000 0.855 4 Q CB -0.632 28.091 28.738 -0.026 0.000 0.918 4 Q HN 0.955 9.225 8.270 -0.000 0.000 0.444 5 D N -1.012 119.377 120.400 -0.018 0.000 2.097 5 D HA -0.175 4.465 4.640 -0.001 0.000 0.195 5 D C 1.647 177.867 176.300 -0.134 0.000 0.989 5 D CA 1.062 55.029 54.000 -0.054 0.000 0.827 5 D CB -0.132 40.639 40.800 -0.048 0.000 0.966 5 D HN 0.321 8.691 8.370 -0.000 0.000 0.456 6 L N -0.321 120.782 121.223 -0.200 0.000 2.093 6 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 6 L C 1.979 178.437 176.870 -0.686 0.000 1.085 6 L CA 1.415 55.948 54.840 -0.512 0.000 0.755 6 L CB -0.981 40.758 42.059 -0.534 0.000 0.904 6 L HN 0.202 8.432 8.230 -0.000 0.000 0.435 7 F N 0.282 119.985 119.950 -0.412 0.000 2.095 7 F HA -0.288 4.238 4.527 -0.001 0.000 0.298 7 F C 2.287 177.968 175.800 -0.198 0.000 1.104 7 F CA 1.974 59.865 58.000 -0.181 0.000 1.232 7 F CB -0.338 38.656 39.000 -0.010 0.000 0.987 7 F HN 0.226 8.526 8.300 -0.000 0.000 0.475 8 N N 0.402 119.035 118.700 -0.111 0.000 2.188 8 N HA -0.165 4.575 4.740 -0.001 0.000 0.184 8 N C 1.803 177.084 175.510 -0.382 0.000 1.018 8 N CA 1.468 54.379 53.050 -0.233 0.000 0.858 8 N CB -0.494 37.942 38.487 -0.085 0.000 0.989 8 N HN 0.560 8.940 8.380 -0.000 0.000 0.426 9 Q N -0.433 119.168 119.800 -0.333 0.000 2.079 9 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 9 Q C 1.537 177.384 176.000 -0.256 0.000 0.974 9 Q CA 0.865 56.470 55.803 -0.330 0.000 0.840 9 Q CB -0.142 28.517 28.738 -0.131 0.000 0.898 9 Q HN 0.284 8.554 8.270 -0.000 0.000 0.430 10 F N 1.199 120.954 119.950 -0.324 0.000 2.171 10 F HA -0.156 4.371 4.527 -0.001 0.000 0.300 10 F C 2.122 177.435 175.800 -0.810 0.000 1.090 10 F CA 1.155 59.005 58.000 -0.252 0.000 1.293 10 F CB -0.953 38.011 39.000 -0.061 0.000 1.013 10 F HN 0.169 8.469 8.300 -0.000 0.000 0.486 11 N N 0.369 118.437 118.700 -1.053 0.000 2.216 11 N HA -0.136 4.603 4.740 -0.001 0.000 0.183 11 N C 1.763 176.816 175.510 -0.762 0.000 1.017 11 N CA 0.619 52.885 53.050 -1.307 0.000 0.861 11 N CB -0.200 37.576 38.487 -1.185 0.000 0.986 11 N HN 0.158 8.538 8.380 -0.000 0.000 0.428 12 L N -0.579 120.243 121.223 -0.667 0.000 2.027 12 L HA 0.109 4.449 4.340 -0.001 0.000 0.206 12 L C 1.370 177.897 176.870 -0.573 0.000 1.074 12 L CA 1.610 56.050 54.840 -0.667 0.000 0.745 12 L CB -0.774 40.793 42.059 -0.820 0.000 0.898 12 L HN 0.100 8.330 8.230 -0.000 0.000 0.433 13 F N -0.149 119.655 119.950 -0.243 0.000 2.407 13 F HA 0.051 4.578 4.527 -0.001 0.000 0.299 13 F C 2.466 178.118 175.800 -0.247 0.000 1.097 13 F CA 0.723 58.658 58.000 -0.108 0.000 1.422 13 F CB -1.379 37.458 39.000 -0.272 0.000 1.067 13 F HN 0.173 8.473 8.300 -0.000 0.000 0.539 14 A N 0.028 122.563 122.820 -0.476 0.000 1.902 14 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 14 A C 2.175 179.486 177.584 -0.455 0.000 1.181 14 A CA 1.614 53.102 52.037 -0.915 0.000 0.623 14 A CB -0.687 17.857 19.000 -0.760 0.000 0.818 14 A HN 0.453 8.603 8.150 -0.000 0.000 0.443 15 Q N -1.961 117.622 119.800 -0.362 0.000 2.172 15 Q HA -0.148 4.192 4.340 -0.001 0.000 0.200 15 Q C 1.883 177.768 176.000 -0.192 0.000 0.964 15 Q CA 1.410 57.035 55.803 -0.298 0.000 0.855 15 Q CB -0.301 28.218 28.738 -0.365 0.000 0.918 15 Q HN 0.797 9.067 8.270 -0.000 0.000 0.444 16 Y N 1.014 121.250 120.300 -0.106 0.000 2.145 16 Y HA -0.220 4.330 4.550 -0.001 0.000 0.286 16 Y C 2.733 178.644 175.900 0.018 0.000 1.145 16 Y CA 1.435 59.568 58.100 0.055 0.000 1.148 16 Y CB -0.266 38.268 38.460 0.123 0.000 0.981 16 Y HN 0.019 8.299 8.280 -0.000 0.000 0.507 17 S N -0.294 115.467 115.700 0.103 0.000 2.359 17 S HA -0.272 4.198 4.470 -0.001 0.000 0.224 17 S C 2.300 176.940 174.600 0.066 0.000 1.035 17 S CA 1.191 59.415 58.200 0.041 0.000 1.018 17 S CB -0.750 62.458 63.200 0.012 0.000 0.876 17 S HN 0.527 8.837 8.310 -0.000 0.000 0.448 18 A N 1.211 124.025 122.820 -0.010 0.000 2.019 18 A HA 0.161 4.480 4.320 -0.001 0.000 0.219 18 A C 2.272 179.936 177.584 0.134 0.000 1.164 18 A CA 1.547 53.609 52.037 0.041 0.000 0.644 18 A CB -0.841 18.082 19.000 -0.128 0.000 0.805 18 A HN 0.514 8.664 8.150 -0.000 0.000 0.449 19 A N -0.165 122.727 122.820 0.119 0.000 2.015 19 A HA 0.218 4.537 4.320 -0.001 0.000 0.219 19 A C 2.385 180.147 177.584 0.298 0.000 1.163 19 A CA 1.669 53.817 52.037 0.185 0.000 0.646 19 A CB -0.776 18.351 19.000 0.212 0.000 0.806 19 A HN 1.011 9.161 8.150 -0.000 0.000 0.448 20 A N -1.471 121.490 122.820 0.236 0.000 2.019 20 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 20 A C 1.903 179.438 177.584 -0.082 0.000 1.164 20 A CA 1.298 53.358 52.037 0.039 0.000 0.644 20 A CB -0.735 18.105 19.000 -0.266 0.000 0.805 20 A HN 0.600 8.750 8.150 -0.000 0.000 0.449 21 Y N -0.515 119.807 120.300 0.036 0.000 2.509 21 Y HA -0.045 4.504 4.550 -0.001 0.000 0.293 21 Y C 1.211 177.121 175.900 0.017 0.000 1.133 21 Y CA -0.281 57.829 58.100 0.017 0.000 1.283 21 Y CB -0.640 37.819 38.460 -0.002 0.000 1.001 21 Y HN 0.220 8.500 8.280 -0.000 0.000 0.555 22 c N 1.291 119.983 118.600 0.152 0.000 2.627 22 c HA 0.191 4.761 4.570 -0.001 0.000 0.404 22 c C 2.279 176.398 174.090 0.049 0.000 1.340 22 c CA -0.266 56.114 56.329 0.086 0.000 1.758 22 c CB 0.052 42.596 42.510 0.058 0.000 2.501 22 c HN 0.768 8.998 8.230 -0.000 0.000 0.588 23 G N 3.065 111.883 108.800 0.030 0.000 2.503 23 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.221 23 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.221 23 G C 1.675 176.551 174.900 -0.040 0.000 1.131 23 G CA 1.163 46.261 45.100 -0.004 0.000 0.756 23 G HN 0.881 9.171 8.290 -0.000 0.000 0.572 24 K N 0.497 120.874 120.400 -0.039 0.000 2.152 24 K HA -0.122 4.198 4.320 -0.001 0.000 0.206 24 K C 1.659 178.174 176.600 -0.142 0.000 1.048 24 K CA 1.487 57.725 56.287 -0.082 0.000 0.933 24 K CB -0.229 32.238 32.500 -0.055 0.000 0.721 24 K HN 0.175 8.425 8.250 -0.000 0.000 0.447 25 N N 1.011 119.687 118.700 -0.041 0.000 2.521 25 N HA -0.043 4.697 4.740 -0.001 0.000 0.188 25 N C 0.070 175.545 175.510 -0.058 0.000 1.146 25 N CA 0.760 53.837 53.050 0.045 0.000 0.893 25 N CB -0.010 38.600 38.487 0.206 0.000 0.975 25 N HN 0.501 8.881 8.380 -0.000 0.000 0.451 26 N N -0.457 118.153 118.700 -0.150 0.000 2.322 26 N HA 0.051 4.791 4.740 -0.001 0.000 0.181 26 N C -0.685 174.676 175.510 -0.248 0.000 1.088 26 N CA 0.171 53.104 53.050 -0.195 0.000 0.885 26 N CB 0.715 39.118 38.487 -0.140 0.000 1.013 26 N HN -0.071 8.309 8.380 -0.000 0.000 0.472 27 D N 0.520 120.755 120.400 -0.275 0.000 2.714 27 D HA 0.322 4.962 4.640 -0.001 0.000 0.264 27 D C -1.288 174.825 176.300 -0.311 0.000 1.231 27 D CA 0.019 53.867 54.000 -0.253 0.000 0.802 27 D CB 0.909 41.620 40.800 -0.149 0.000 1.319 27 D HN 0.148 8.518 8.370 -0.000 0.000 0.528 28 A N 1.310 123.830 122.820 -0.500 0.000 2.401 28 A HA 0.820 5.140 4.320 -0.001 0.000 0.310 28 A C -2.628 174.701 177.584 -0.424 0.000 1.075 28 A CA -1.520 50.188 52.037 -0.549 0.000 0.746 28 A CB 1.257 19.674 19.000 -0.971 0.000 1.277 28 A HN -0.004 8.146 8.150 -0.000 0.000 0.425 29 P HA 0.331 4.751 4.420 -0.000 0.000 0.267 29 P C 0.042 177.319 177.300 -0.038 0.000 1.205 29 P CA 0.220 63.257 63.100 -0.105 0.000 0.765 29 P CB 0.661 32.325 31.700 -0.060 0.000 0.828 30 A N 3.100 125.941 122.820 0.037 0.000 2.483 30 A HA 0.432 4.751 4.320 -0.001 0.000 0.238 30 A C 1.629 179.282 177.584 0.116 0.000 1.070 30 A CA 0.763 52.878 52.037 0.131 0.000 0.770 30 A CB -1.065 18.017 19.000 0.136 0.000 1.008 30 A HN 0.872 9.022 8.150 -0.000 0.000 0.497 31 G N 0.916 109.800 108.800 0.141 0.000 2.299 31 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.237 31 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.237 31 G C 0.703 175.662 174.900 0.098 0.000 1.027 31 G CA 0.674 45.833 45.100 0.097 0.000 0.619 31 G HN 1.185 9.475 8.290 -0.000 0.000 0.513 32 T N 1.806 116.444 114.554 0.140 0.000 2.802 32 T HA 0.429 4.779 4.350 -0.001 0.000 0.305 32 T C 0.769 175.576 174.700 0.178 0.000 1.053 32 T CA 0.414 62.600 62.100 0.143 0.000 1.058 32 T CB 0.388 69.324 68.868 0.114 0.000 0.988 32 T HN 0.783 9.023 8.240 -0.000 0.000 0.539 33 N N 0.506 119.265 118.700 0.098 0.000 2.509 33 N HA 0.402 5.142 4.740 -0.001 0.000 0.287 33 N C -0.828 174.679 175.510 -0.005 0.000 1.121 33 N CA -0.779 52.270 53.050 -0.003 0.000 0.977 33 N CB 0.852 39.318 38.487 -0.034 0.000 1.167 33 N HN 0.440 8.820 8.380 -0.000 0.000 0.476 34 I N 1.449 121.856 120.570 -0.272 0.000 2.352 34 I HA 0.163 4.333 4.170 -0.001 0.000 0.290 34 I C 0.161 176.146 176.117 -0.220 0.000 1.036 34 I CA -0.167 60.891 61.300 -0.404 0.000 1.336 34 I CB 0.864 38.379 38.000 -0.808 0.000 1.407 34 I HN 0.717 8.927 8.210 -0.000 0.000 0.497 35 T N 2.013 116.496 114.554 -0.117 0.000 2.883 35 T HA 0.646 4.995 4.350 -0.001 0.000 0.301 35 T C -0.905 173.750 174.700 -0.074 0.000 1.158 35 T CA -0.756 61.285 62.100 -0.099 0.000 1.007 35 T CB 1.754 70.587 68.868 -0.059 0.000 1.186 35 T HN 0.519 8.759 8.240 -0.000 0.000 0.499 36 c N 2.230 120.785 118.600 -0.074 0.000 2.535 36 c HA 0.743 5.313 4.570 -0.001 0.000 0.319 36 c C 0.793 174.857 174.090 -0.043 0.000 1.171 36 c CA -0.863 55.435 56.329 -0.051 0.000 1.394 36 c CB 1.077 43.547 42.510 -0.066 0.000 1.990 36 c HN 1.179 9.409 8.230 -0.000 0.000 0.466 37 T N -0.499 114.040 114.554 -0.026 0.000 2.903 37 T HA 0.449 4.799 4.350 -0.001 0.000 0.314 37 T C 1.223 175.909 174.700 -0.025 0.000 1.078 37 T CA 0.746 62.833 62.100 -0.022 0.000 1.114 37 T CB 0.606 69.467 68.868 -0.011 0.000 0.987 37 T HN 2.198 10.438 8.240 -0.000 0.000 0.548 38 G N 1.863 110.649 108.800 -0.023 0.000 2.143 38 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.248 38 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.248 38 G C 0.394 175.276 174.900 -0.030 0.000 0.991 38 G CA 0.428 45.516 45.100 -0.020 0.000 0.689 38 G HN 1.585 9.875 8.290 -0.000 0.000 0.522 39 N N -2.074 116.600 118.700 -0.042 0.000 2.735 39 N HA -0.149 4.590 4.740 -0.001 0.000 0.248 39 N C 1.481 176.945 175.510 -0.078 0.000 1.083 39 N CA 2.131 55.146 53.050 -0.058 0.000 0.703 39 N CB -1.150 37.312 38.487 -0.041 0.000 1.005 39 N HN 1.630 10.010 8.380 -0.000 0.000 0.550 40 A N -0.697 122.073 122.820 -0.084 0.000 2.067 40 A HA 0.147 4.467 4.320 -0.001 0.000 0.217 40 A C 1.406 178.900 177.584 -0.150 0.000 1.156 40 A CA 1.139 53.111 52.037 -0.108 0.000 0.683 40 A CB -0.144 18.807 19.000 -0.081 0.000 0.808 40 A HN 1.175 9.325 8.150 -0.000 0.000 0.455 41 c N -3.699 114.805 118.600 -0.160 0.000 3.421 41 c HA 0.526 5.096 4.570 -0.001 0.000 0.194 41 c C -1.845 172.109 174.090 -0.228 0.000 1.418 41 c CA -1.435 54.760 56.329 -0.222 0.000 1.226 41 c CB 0.415 42.785 42.510 -0.234 0.000 1.875 41 c HN 0.228 8.458 8.230 -0.000 0.000 0.561 42 P HA -0.071 4.349 4.420 -0.000 0.000 0.219 42 P C 1.582 178.764 177.300 -0.197 0.000 1.150 42 P CA 1.729 64.727 63.100 -0.170 0.000 0.814 42 P CB 0.291 31.911 31.700 -0.134 0.000 0.787 43 E N -0.207 119.847 120.200 -0.245 0.000 2.150 43 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 43 E C 2.119 178.525 176.600 -0.323 0.000 0.985 43 E CA 0.744 56.981 56.400 -0.272 0.000 0.814 43 E CB -0.838 28.672 29.700 -0.317 0.000 0.752 43 E HN 0.124 8.484 8.360 -0.000 0.000 0.466 44 V N 1.454 121.119 119.914 -0.416 0.000 2.379 44 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 44 V C 2.147 178.054 176.094 -0.312 0.000 1.044 44 V CA 1.531 63.524 62.300 -0.512 0.000 1.036 44 V CB -0.406 30.981 31.823 -0.728 0.000 0.664 44 V HN 0.221 8.411 8.190 -0.000 0.000 0.453 45 E N 0.350 120.397 120.200 -0.255 0.000 2.085 45 E HA -0.309 4.041 4.350 -0.001 0.000 0.194 45 E C 2.219 178.731 176.600 -0.146 0.000 0.994 45 E CA 1.563 57.855 56.400 -0.179 0.000 0.801 45 E CB -0.198 29.412 29.700 -0.150 0.000 0.743 45 E HN 0.532 8.892 8.360 -0.000 0.000 0.453 46 K N 1.072 121.383 120.400 -0.150 0.000 2.209 46 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 46 K C 0.659 177.191 176.600 -0.112 0.000 1.048 46 K CA 0.845 57.059 56.287 -0.120 0.000 0.940 46 K CB 0.038 32.467 32.500 -0.119 0.000 0.729 46 K HN 0.053 8.303 8.250 -0.000 0.000 0.451 47 A N 1.156 123.899 122.820 -0.129 0.000 2.272 47 A HA 0.103 4.423 4.320 -0.001 0.000 0.275 47 A C -0.658 176.875 177.584 -0.085 0.000 1.096 47 A CA -0.279 51.698 52.037 -0.100 0.000 0.822 47 A CB 0.554 19.495 19.000 -0.099 0.000 1.088 47 A HN 0.385 8.535 8.150 -0.000 0.000 0.495 48 D N 0.325 120.690 120.400 -0.060 0.000 2.558 48 D HA 0.448 5.087 4.640 -0.001 0.000 0.221 48 D C -0.128 176.142 176.300 -0.049 0.000 1.143 48 D CA 0.299 54.270 54.000 -0.048 0.000 1.010 48 D CB -0.198 40.587 40.800 -0.024 0.000 1.068 48 D HN 0.635 9.005 8.370 -0.000 0.000 0.511 49 A N 2.868 125.638 122.820 -0.083 0.000 2.271 49 A HA 0.653 4.973 4.320 -0.001 0.000 0.317 49 A C 0.195 177.671 177.584 -0.180 0.000 1.245 49 A CA -0.606 51.374 52.037 -0.096 0.000 0.857 49 A CB 0.738 19.693 19.000 -0.075 0.000 1.175 49 A HN 0.486 8.636 8.150 -0.000 0.000 0.512 50 T N -0.832 113.625 114.554 -0.161 0.000 2.916 50 T HA 0.687 5.037 4.350 -0.001 0.000 0.292 50 T C -0.484 174.084 174.700 -0.220 0.000 1.055 50 T CA -0.599 61.398 62.100 -0.171 0.000 1.009 50 T CB 0.742 69.596 68.868 -0.022 0.000 1.118 50 T HN 0.228 8.468 8.240 -0.000 0.000 0.497 51 F N 1.647 121.564 119.950 -0.055 0.000 2.506 51 F HA 0.295 4.822 4.527 -0.001 0.000 0.371 51 F C 1.427 177.260 175.800 0.055 0.000 1.078 51 F CA -0.616 57.371 58.000 -0.022 0.000 1.195 51 F CB 0.230 39.194 39.000 -0.060 0.000 1.099 51 F HN 0.450 8.750 8.300 -0.000 0.000 0.548 52 L N 2.893 124.267 121.223 0.252 0.000 2.145 52 L HA 0.015 4.354 4.340 -0.001 0.000 0.201 52 L C -0.296 176.791 176.870 0.360 0.000 1.075 52 L CA 0.610 55.598 54.840 0.246 0.000 0.773 52 L CB 0.033 42.209 42.059 0.197 0.000 0.936 52 L HN 0.528 8.758 8.230 -0.000 0.000 0.451 53 Y N -1.249 119.207 120.300 0.261 0.000 2.588 53 Y HA 0.541 5.090 4.550 -0.001 0.000 0.343 53 Y C -0.901 175.210 175.900 0.352 0.000 1.065 53 Y CA -1.319 56.941 58.100 0.266 0.000 1.038 53 Y CB 2.152 40.753 38.460 0.235 0.000 1.297 53 Y HN -0.291 7.989 8.280 -0.000 0.000 0.467 54 S N 4.067 119.463 115.700 -0.508 0.000 2.546 54 S HA 0.811 5.281 4.470 -0.001 0.000 0.272 54 S C -1.938 172.359 174.600 -0.505 0.000 1.140 54 S CA -0.503 57.472 58.200 -0.375 0.000 0.920 54 S CB 0.409 63.376 63.200 -0.388 0.000 1.083 54 S HN 0.573 8.883 8.310 -0.000 0.000 0.476 55 F N 1.164 120.910 119.950 -0.340 0.000 2.641 55 F HA 0.829 5.356 4.527 -0.001 0.000 0.308 55 F C -0.809 174.932 175.800 -0.098 0.000 1.105 55 F CA -0.814 57.037 58.000 -0.248 0.000 0.964 55 F CB 1.397 40.298 39.000 -0.165 0.000 1.294 55 F HN 0.487 8.787 8.300 -0.000 0.000 0.442 56 E N 1.364 121.632 120.200 0.115 0.000 2.290 56 E HA 0.325 4.675 4.350 -0.001 0.000 0.274 56 E C -1.390 175.270 176.600 0.101 0.000 0.889 56 E CA -0.560 55.877 56.400 0.061 0.000 0.760 56 E CB 1.209 30.904 29.700 -0.010 0.000 1.206 56 E HN 0.713 9.073 8.360 -0.000 0.000 0.419 57 D N 1.675 122.138 120.400 0.105 0.000 2.697 57 D HA -0.158 4.482 4.640 -0.001 0.000 0.238 57 D C -0.881 175.486 176.300 0.112 0.000 1.152 57 D CA 0.997 55.056 54.000 0.099 0.000 0.666 57 D CB -1.126 39.715 40.800 0.068 0.000 1.037 57 D HN 0.197 8.567 8.370 -0.000 0.000 0.423 58 S N -1.112 114.680 115.700 0.154 0.000 2.584 58 S HA 0.565 5.035 4.470 -0.001 0.000 0.273 58 S C 1.437 176.092 174.600 0.091 0.000 1.311 58 S CA 0.263 58.539 58.200 0.126 0.000 1.034 58 S CB 1.538 64.825 63.200 0.144 0.000 0.939 58 S HN 0.667 8.977 8.310 -0.000 0.000 0.513 59 G N 2.444 111.277 108.800 0.054 0.000 2.661 59 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.327 59 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.327 59 G C 0.992 175.923 174.900 0.052 0.000 1.320 59 G CA 0.480 45.600 45.100 0.034 0.000 0.997 59 G HN 0.757 9.047 8.290 -0.000 0.000 0.543 60 V N 1.069 121.015 119.914 0.054 0.000 2.535 60 V HA 0.270 4.390 4.120 -0.001 0.000 0.246 60 V C 2.568 178.722 176.094 0.101 0.000 1.045 60 V CA 2.570 64.910 62.300 0.068 0.000 1.058 60 V CB 0.008 31.865 31.823 0.056 0.000 0.689 60 V HN 1.357 9.547 8.190 -0.000 0.000 0.461 61 G N -0.877 108.001 108.800 0.130 0.000 3.820 61 G HA2 0.201 4.160 3.960 -0.001 0.000 0.293 61 G HA3 0.201 4.160 3.960 -0.001 0.000 0.293 61 G C -0.201 174.786 174.900 0.145 0.000 1.152 61 G CA -0.082 45.113 45.100 0.158 0.000 0.921 61 G HN 0.433 8.723 8.290 -0.000 0.000 0.544 62 D N -0.039 120.436 120.400 0.125 0.000 2.689 62 D HA -0.161 4.479 4.640 -0.001 0.000 0.237 62 D C 0.824 177.213 176.300 0.149 0.000 1.148 62 D CA 0.545 54.617 54.000 0.121 0.000 0.656 62 D CB -1.674 39.186 40.800 0.100 0.000 1.050 62 D HN 0.250 8.620 8.370 -0.000 0.000 0.426 63 V N 0.595 120.627 119.914 0.196 0.000 2.475 63 V HA 0.070 4.190 4.120 -0.001 0.000 0.292 63 V C 1.164 177.495 176.094 0.395 0.000 1.003 63 V CA 0.768 63.247 62.300 0.298 0.000 1.120 63 V CB 0.753 32.772 31.823 0.328 0.000 0.937 63 V HN 0.199 8.389 8.190 -0.000 0.000 0.476 64 T N 3.951 118.686 114.554 0.303 0.000 2.861 64 T HA 0.825 5.174 4.350 -0.001 0.000 0.287 64 T C 0.392 174.969 174.700 -0.206 0.000 1.003 64 T CA 0.222 62.368 62.100 0.077 0.000 0.977 64 T CB 1.928 70.789 68.868 -0.011 0.000 0.996 64 T HN 1.140 9.380 8.240 -0.000 0.000 0.448 65 G N 1.692 109.982 108.800 -0.850 0.000 2.452 65 G HA2 0.523 4.483 3.960 -0.001 0.000 0.224 65 G HA3 0.523 4.483 3.960 -0.001 0.000 0.224 65 G C -2.200 172.012 174.900 -1.147 0.000 1.208 65 G CA -0.533 44.002 45.100 -0.941 0.000 0.946 65 G HN 0.968 9.258 8.290 -0.000 0.000 0.481 66 F N -1.702 117.782 119.950 -0.776 0.000 2.678 66 F HA 0.801 5.327 4.527 -0.001 0.000 0.308 66 F C -1.715 174.065 175.800 -0.034 0.000 1.118 66 F CA -1.440 56.365 58.000 -0.326 0.000 0.959 66 F CB 1.611 40.631 39.000 0.034 0.000 1.305 66 F HN 0.653 8.953 8.300 -0.000 0.000 0.443 67 L N 3.164 124.645 121.223 0.430 0.000 2.276 67 L HA 0.901 5.241 4.340 -0.001 0.000 0.286 67 L C -0.527 176.540 176.870 0.327 0.000 1.024 67 L CA -0.555 54.475 54.840 0.316 0.000 0.826 67 L CB 0.534 42.785 42.059 0.320 0.000 1.211 67 L HN 1.028 9.258 8.230 -0.000 0.000 0.422 68 A N 4.750 127.730 122.820 0.266 0.000 2.320 68 A HA 0.752 5.072 4.320 -0.001 0.000 0.334 68 A C -1.342 176.274 177.584 0.054 0.000 1.147 68 A CA -0.630 51.481 52.037 0.123 0.000 0.820 68 A CB 1.223 20.338 19.000 0.190 0.000 1.218 68 A HN 0.701 8.851 8.150 -0.000 0.000 0.482 69 L N 1.208 122.436 121.223 0.009 0.000 2.313 69 L HA 0.580 4.919 4.340 -0.001 0.000 0.283 69 L C -1.097 175.784 176.870 0.018 0.000 1.013 69 L CA -0.087 54.753 54.840 0.000 0.000 0.816 69 L CB 1.602 43.633 42.059 -0.046 0.000 1.236 69 L HN 0.650 8.880 8.230 -0.000 0.000 0.419 70 D N 3.351 123.770 120.400 0.033 0.000 2.446 70 D HA 0.239 4.879 4.640 -0.001 0.000 0.251 70 D C 0.260 176.517 176.300 -0.073 0.000 1.137 70 D CA -0.190 53.809 54.000 -0.001 0.000 0.890 70 D CB 0.734 41.550 40.800 0.027 0.000 1.071 70 D HN 0.537 8.907 8.370 -0.000 0.000 0.528 71 N N 1.334 120.031 118.700 -0.005 0.000 2.142 71 N HA -0.125 4.614 4.740 -0.001 0.000 0.186 71 N C 1.430 176.883 175.510 -0.095 0.000 1.023 71 N CA 1.229 54.275 53.050 -0.007 0.000 0.852 71 N CB -0.048 38.485 38.487 0.076 0.000 0.998 71 N HN 0.422 8.802 8.380 -0.000 0.000 0.424 72 T N 1.900 116.409 114.554 -0.075 0.000 2.665 72 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 72 T C 1.407 176.035 174.700 -0.120 0.000 1.035 72 T CA 1.191 63.241 62.100 -0.084 0.000 1.151 72 T CB -0.118 68.704 68.868 -0.076 0.000 0.862 72 T HN 0.312 8.552 8.240 -0.000 0.000 0.438 73 N N 0.477 119.090 118.700 -0.145 0.000 2.325 73 N HA 0.082 4.822 4.740 -0.001 0.000 0.182 73 N C -0.231 175.136 175.510 -0.239 0.000 1.088 73 N CA 0.146 53.105 53.050 -0.152 0.000 0.879 73 N CB 0.248 38.667 38.487 -0.115 0.000 0.983 73 N HN 0.437 8.817 8.380 -0.000 0.000 0.471 74 K N 0.665 120.804 120.400 -0.434 0.000 3.549 74 K HA -0.132 4.187 4.320 -0.001 0.000 0.275 74 K C -1.155 175.059 176.600 -0.644 0.000 1.060 74 K CA 0.445 56.162 56.287 -0.950 0.000 0.812 74 K CB -1.536 30.581 32.500 -0.639 0.000 1.374 74 K HN 0.216 8.466 8.250 -0.000 0.000 0.455 75 L N 1.008 122.005 121.223 -0.377 0.000 2.409 75 L HA 0.625 4.965 4.340 -0.001 0.000 0.262 75 L C 0.024 176.944 176.870 0.083 0.000 0.992 75 L CA -1.114 53.694 54.840 -0.053 0.000 0.817 75 L CB 2.052 44.114 42.059 0.004 0.000 1.350 75 L HN 0.076 8.306 8.230 -0.000 0.000 0.411 76 I N 2.586 123.226 120.570 0.116 0.000 2.354 76 I HA 0.367 4.536 4.170 -0.001 0.000 0.286 76 I C -0.764 175.392 176.117 0.065 0.000 1.007 76 I CA -0.684 60.675 61.300 0.098 0.000 1.167 76 I CB 1.885 39.954 38.000 0.115 0.000 1.320 76 I HN 0.180 8.390 8.210 -0.000 0.000 0.458 77 V N 7.345 127.259 119.914 -0.001 0.000 2.357 77 V HA 0.297 4.416 4.120 -0.001 0.000 0.284 77 V C -0.301 175.752 176.094 -0.068 0.000 1.018 77 V CA -0.636 61.612 62.300 -0.088 0.000 0.841 77 V CB 1.854 33.437 31.823 -0.400 0.000 0.991 77 V HN 0.405 8.595 8.190 -0.000 0.000 0.437 78 L N 5.305 126.502 121.223 -0.044 0.000 2.264 78 L HA 0.574 4.913 4.340 -0.001 0.000 0.287 78 L C 0.220 176.836 176.870 -0.424 0.000 1.039 78 L CA 0.608 55.282 54.840 -0.276 0.000 0.829 78 L CB 1.333 43.065 42.059 -0.546 0.000 1.211 78 L HN 0.630 8.860 8.230 -0.000 0.000 0.427 79 S N 5.211 120.529 115.700 -0.637 0.000 2.433 79 S HA 0.635 5.104 4.470 -0.001 0.000 0.310 79 S C -0.790 173.424 174.600 -0.642 0.000 1.097 79 S CA -0.430 57.386 58.200 -0.641 0.000 1.103 79 S CB 0.103 62.670 63.200 -1.055 0.000 0.992 79 S HN 0.378 8.688 8.310 -0.000 0.000 0.469 80 F N 3.868 123.690 119.950 -0.213 0.000 2.420 80 F HA 0.513 5.040 4.527 -0.001 0.000 0.342 80 F C 0.922 176.584 175.800 -0.230 0.000 1.113 80 F CA -0.927 56.986 58.000 -0.145 0.000 1.059 80 F CB 0.974 39.941 39.000 -0.055 0.000 1.128 80 F HN 0.376 8.676 8.300 -0.000 0.000 0.475 81 R N 1.616 122.023 120.500 -0.155 0.000 2.539 81 R HA 0.400 4.740 4.340 -0.001 0.000 0.275 81 R C 0.512 176.622 176.300 -0.316 0.000 1.077 81 R CA -0.047 55.780 56.100 -0.455 0.000 1.097 81 R CB 0.928 30.924 30.300 -0.507 0.000 1.018 81 R HN 0.888 9.158 8.270 -0.000 0.000 0.483 82 G N 0.908 109.484 108.800 -0.373 0.000 2.486 82 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.272 82 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.272 82 G C -0.385 174.428 174.900 -0.145 0.000 1.426 82 G CA -0.417 44.597 45.100 -0.144 0.000 1.058 82 G HN 0.587 8.877 8.290 -0.000 0.000 0.531 83 S N -1.602 113.963 115.700 -0.225 0.000 2.592 83 S HA 0.178 4.647 4.470 -0.001 0.000 0.271 83 S C 1.590 176.265 174.600 0.125 0.000 1.326 83 S CA -0.400 57.717 58.200 -0.138 0.000 1.024 83 S CB 1.186 64.222 63.200 -0.273 0.000 0.921 83 S HN 0.527 8.837 8.310 -0.000 0.000 0.527 84 R N 1.893 122.464 120.500 0.119 0.000 2.235 84 R HA 0.128 4.468 4.340 -0.001 0.000 0.213 84 R C 0.415 176.809 176.300 0.156 0.000 1.059 84 R CA 0.976 57.174 56.100 0.163 0.000 0.997 84 R CB -0.761 29.609 30.300 0.117 0.000 0.884 84 R HN 0.473 8.743 8.270 -0.000 0.000 0.462 85 S N -0.154 115.642 115.700 0.160 0.000 2.524 85 S HA 0.341 4.811 4.470 -0.001 0.000 0.227 85 S C 0.950 175.693 174.600 0.237 0.000 1.304 85 S CA -0.742 57.561 58.200 0.171 0.000 1.185 85 S CB -0.045 63.244 63.200 0.148 0.000 1.104 85 S HN 0.203 8.513 8.310 -0.000 0.000 0.475 86 I N 2.879 123.600 120.570 0.252 0.000 2.226 86 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 86 I C 2.464 178.806 176.117 0.375 0.000 1.100 86 I CA 1.286 62.803 61.300 0.362 0.000 1.374 86 I CB -0.202 38.019 38.000 0.368 0.000 1.057 86 I HN 0.586 8.796 8.210 -0.000 0.000 0.413 87 E N 0.852 121.203 120.200 0.252 0.000 2.070 87 E HA -0.263 4.086 4.350 -0.001 0.000 0.197 87 E C 2.023 178.724 176.600 0.167 0.000 1.004 87 E CA 1.446 57.956 56.400 0.183 0.000 0.805 87 E CB -0.205 29.577 29.700 0.136 0.000 0.744 87 E HN 0.422 8.782 8.360 -0.000 0.000 0.451 88 N N -0.518 118.293 118.700 0.185 0.000 2.188 88 N HA -0.168 4.572 4.740 -0.001 0.000 0.184 88 N C 1.698 177.323 175.510 0.190 0.000 1.018 88 N CA 0.996 54.140 53.050 0.157 0.000 0.858 88 N CB -0.090 38.485 38.487 0.146 0.000 0.989 88 N HN 0.241 8.621 8.380 -0.000 0.000 0.426 89 W N 1.803 123.148 121.300 0.076 0.000 2.418 89 W HA 0.070 4.730 4.660 -0.001 0.000 0.292 89 W C 1.855 178.414 176.519 0.068 0.000 1.213 89 W CA 0.686 58.081 57.345 0.082 0.000 1.283 89 W CB -0.276 29.251 29.460 0.112 0.000 1.119 89 W HN -0.036 8.144 8.180 -0.000 0.000 0.542 90 I N 0.772 121.328 120.570 -0.023 0.000 2.179 90 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 90 I C 2.645 178.632 176.117 -0.217 0.000 1.088 90 I CA 1.785 62.940 61.300 -0.243 0.000 1.357 90 I CB -1.221 36.760 38.000 -0.032 0.000 1.051 90 I HN 0.179 8.389 8.210 -0.000 0.000 0.409 91 G N 0.209 108.951 108.800 -0.097 0.000 2.443 91 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 91 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 91 G C 1.305 176.125 174.900 -0.133 0.000 1.131 91 G CA 0.463 45.512 45.100 -0.086 0.000 0.775 91 G HN 0.322 8.612 8.290 -0.000 0.000 0.547 92 N N -0.175 118.437 118.700 -0.146 0.000 2.203 92 N HA 0.110 4.850 4.740 -0.001 0.000 0.207 92 N C -0.094 175.278 175.510 -0.229 0.000 1.130 92 N CA -0.312 52.650 53.050 -0.147 0.000 0.861 92 N CB 0.860 39.318 38.487 -0.048 0.000 1.005 92 N HN 0.204 8.584 8.380 -0.000 0.000 0.507 93 L N 2.810 123.820 121.223 -0.355 0.000 2.418 93 L HA 0.117 4.457 4.340 -0.001 0.000 0.274 93 L C 0.324 176.958 176.870 -0.393 0.000 1.135 93 L CA -0.320 54.291 54.840 -0.382 0.000 0.870 93 L CB 0.235 41.962 42.059 -0.552 0.000 1.154 93 L HN 0.124 8.354 8.230 -0.000 0.000 0.462 94 N N 3.848 122.387 118.700 -0.268 0.000 2.493 94 N HA 0.155 4.895 4.740 -0.001 0.000 0.275 94 N C -0.209 175.222 175.510 -0.133 0.000 1.186 94 N CA -0.206 52.618 53.050 -0.377 0.000 0.978 94 N CB 0.759 39.096 38.487 -0.250 0.000 1.184 94 N HN 0.442 8.822 8.380 -0.000 0.000 0.487 95 F N -0.932 118.884 119.950 -0.223 0.000 2.653 95 F HA 0.303 4.830 4.527 -0.001 0.000 0.304 95 F C 0.006 175.823 175.800 0.030 0.000 1.092 95 F CA -0.998 56.889 58.000 -0.188 0.000 1.279 95 F CB -0.575 38.117 39.000 -0.513 0.000 1.044 95 F HN 0.252 8.552 8.300 -0.000 0.000 0.564 96 D N 2.046 122.471 120.400 0.041 0.000 2.487 96 D HA 0.065 4.705 4.640 -0.001 0.000 0.243 96 D C 0.306 176.580 176.300 -0.043 0.000 1.154 96 D CA 0.738 54.727 54.000 -0.019 0.000 0.876 96 D CB 1.084 41.813 40.800 -0.119 0.000 1.161 96 D HN 0.117 8.487 8.370 -0.000 0.000 0.478 97 L N 2.669 123.902 121.223 0.016 0.000 2.344 97 L HA 0.436 4.775 4.340 -0.001 0.000 0.272 97 L C 0.585 177.413 176.870 -0.070 0.000 1.035 97 L CA -0.613 54.203 54.840 -0.041 0.000 0.807 97 L CB 1.252 43.254 42.059 -0.095 0.000 1.237 97 L HN 0.317 8.547 8.230 -0.000 0.000 0.442 98 K N 1.971 122.322 120.400 -0.083 0.000 2.508 98 K HA 0.384 4.703 4.320 -0.001 0.000 0.260 98 K C -1.113 175.427 176.600 -0.100 0.000 0.949 98 K CA -0.843 55.396 56.287 -0.080 0.000 0.834 98 K CB 2.179 34.637 32.500 -0.070 0.000 1.365 98 K HN 0.596 8.846 8.250 -0.000 0.000 0.437 99 E N 3.760 123.904 120.200 -0.093 0.000 2.338 99 E HA 0.191 4.540 4.350 -0.001 0.000 0.272 99 E C -0.207 176.315 176.600 -0.131 0.000 1.029 99 E CA -0.603 55.729 56.400 -0.112 0.000 0.872 99 E CB 0.349 29.996 29.700 -0.088 0.000 1.015 99 E HN 0.640 9.000 8.360 -0.000 0.000 0.417 100 I N 1.133 121.590 120.570 -0.187 0.000 2.925 100 I HA 0.293 4.463 4.170 -0.001 0.000 0.296 100 I C -0.051 175.932 176.117 -0.224 0.000 1.413 100 I CA -0.896 60.274 61.300 -0.217 0.000 0.932 100 I CB 0.499 38.302 38.000 -0.328 0.000 1.873 100 I HN 0.302 8.512 8.210 -0.000 0.000 0.619 101 N N 2.562 121.170 118.700 -0.153 0.000 2.396 101 N HA -0.144 4.595 4.740 -0.001 0.000 0.180 101 N C 1.061 176.497 175.510 -0.124 0.000 1.028 101 N CA 1.183 54.151 53.050 -0.136 0.000 0.893 101 N CB 0.047 38.478 38.487 -0.092 0.000 0.967 101 N HN 0.639 9.019 8.380 -0.000 0.000 0.440 102 D N 1.690 122.028 120.400 -0.102 0.000 2.205 102 D HA -0.215 4.425 4.640 -0.001 0.000 0.190 102 D C 2.031 178.277 176.300 -0.091 0.000 1.002 102 D CA 1.087 55.045 54.000 -0.069 0.000 0.848 102 D CB -0.664 40.112 40.800 -0.040 0.000 0.975 102 D HN 0.287 8.657 8.370 -0.000 0.000 0.449 103 I N 0.675 121.160 120.570 -0.142 0.000 2.090 103 I HA -0.164 4.006 4.170 -0.001 0.000 0.236 103 I C 1.329 177.196 176.117 -0.415 0.000 1.064 103 I CA 1.098 62.276 61.300 -0.203 0.000 1.324 103 I CB -0.087 37.789 38.000 -0.208 0.000 1.044 103 I HN 0.257 8.467 8.210 -0.000 0.000 0.399 104 C N -2.206 116.793 119.300 -0.502 0.000 3.241 104 C HA 0.613 5.072 4.460 -0.001 0.000 0.312 104 C C 0.061 174.893 174.990 -0.264 0.000 1.350 104 C CA -1.243 57.464 59.018 -0.518 0.000 1.415 104 C CB 1.169 28.346 27.740 -0.939 0.000 1.770 104 C HN 0.278 8.508 8.230 -0.000 0.000 0.466 105 S N 0.075 115.682 115.700 -0.154 0.000 2.499 105 S HA 0.506 4.976 4.470 -0.001 0.000 0.275 105 S C 1.248 175.810 174.600 -0.063 0.000 1.257 105 S CA 1.209 59.357 58.200 -0.086 0.000 1.050 105 S CB -0.129 63.046 63.200 -0.042 0.000 0.937 105 S HN 2.852 11.162 8.310 -0.000 0.000 0.490 106 G N 3.299 112.059 108.800 -0.066 0.000 2.176 106 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.253 106 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.253 106 G C 0.344 175.208 174.900 -0.061 0.000 0.979 106 G CA 0.079 45.150 45.100 -0.049 0.000 0.641 106 G HN 0.922 9.212 8.290 -0.000 0.000 0.530 107 C N 1.397 120.637 119.300 -0.100 0.000 2.536 107 C HA 0.766 5.226 4.460 -0.001 0.000 0.396 107 C C 0.882 175.755 174.990 -0.194 0.000 1.279 107 C CA -0.549 58.394 59.018 -0.125 0.000 2.148 107 C CB 0.455 28.068 27.740 -0.212 0.000 2.584 107 C HN 0.531 8.761 8.230 -0.000 0.000 0.579 108 R N 1.144 121.543 120.500 -0.168 0.000 2.750 108 R HA 0.720 5.060 4.340 -0.001 0.000 0.281 108 R C -0.156 176.024 176.300 -0.199 0.000 0.972 108 R CA -0.288 55.699 56.100 -0.188 0.000 0.912 108 R CB 2.061 32.274 30.300 -0.146 0.000 1.187 108 R HN 0.908 9.178 8.270 -0.000 0.000 0.464 109 G N -0.027 108.668 108.800 -0.175 0.000 2.574 109 G HA2 0.157 4.117 3.960 -0.001 0.000 0.299 109 G HA3 0.157 4.117 3.960 -0.001 0.000 0.299 109 G C -1.293 173.657 174.900 0.084 0.000 1.298 109 G CA -0.493 44.593 45.100 -0.024 0.000 0.952 109 G HN 0.597 8.887 8.290 -0.000 0.000 0.477 110 H N 1.239 120.399 119.070 0.151 0.000 3.107 110 H HA -0.032 4.523 4.556 -0.001 0.000 0.301 110 H C 0.977 176.289 175.328 -0.025 0.000 0.981 110 H CA 0.661 56.738 56.048 0.049 0.000 1.443 110 H CB 0.894 30.531 29.762 -0.209 0.000 1.479 110 H HN 0.712 8.992 8.280 -0.000 0.000 0.564 111 D N 3.748 123.973 120.400 -0.292 0.000 2.126 111 D HA -0.169 4.470 4.640 -0.001 0.000 0.190 111 D C 1.872 178.106 176.300 -0.110 0.000 1.001 111 D CA 1.782 55.667 54.000 -0.191 0.000 0.841 111 D CB -0.128 40.543 40.800 -0.216 0.000 0.949 111 D HN 0.869 9.239 8.370 -0.000 0.000 0.446 112 G N 0.074 108.717 108.800 -0.261 0.000 2.511 112 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.216 112 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.216 112 G C 1.544 176.671 174.900 0.379 0.000 1.218 112 G CA 1.036 46.200 45.100 0.108 0.000 0.788 112 G HN 0.224 8.514 8.290 -0.000 0.000 0.560 113 F N 1.300 121.605 119.950 0.591 0.000 2.065 113 F HA -0.069 4.458 4.527 -0.001 0.000 0.298 113 F C 3.081 179.042 175.800 0.268 0.000 1.112 113 F CA 1.279 59.486 58.000 0.344 0.000 1.212 113 F CB -1.551 37.611 39.000 0.269 0.000 0.975 113 F HN 0.056 8.356 8.300 -0.000 0.000 0.476 114 T N -0.271 114.529 114.554 0.411 0.000 2.652 114 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 114 T C 2.316 177.155 174.700 0.233 0.000 1.039 114 T CA 2.044 64.315 62.100 0.285 0.000 1.153 114 T CB -0.527 68.435 68.868 0.157 0.000 0.863 114 T HN 0.206 8.446 8.240 -0.000 0.000 0.428 115 S N 0.884 116.681 115.700 0.161 0.000 2.368 115 S HA -0.120 4.349 4.470 -0.001 0.000 0.225 115 S C 2.365 177.039 174.600 0.123 0.000 1.030 115 S CA 1.228 59.491 58.200 0.105 0.000 0.999 115 S CB -0.551 62.693 63.200 0.073 0.000 0.844 115 S HN 0.483 8.793 8.310 -0.000 0.000 0.459 116 S N 0.585 116.400 115.700 0.193 0.000 2.365 116 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 116 S C 1.525 176.241 174.600 0.193 0.000 1.039 116 S CA 1.510 59.826 58.200 0.194 0.000 1.033 116 S CB -0.525 62.833 63.200 0.263 0.000 0.887 116 S HN 0.801 9.111 8.310 -0.000 0.000 0.447 117 W N 2.055 123.401 121.300 0.076 0.000 2.355 117 W HA -0.220 4.440 4.660 -0.001 0.000 0.309 117 W C 2.325 178.875 176.519 0.052 0.000 1.206 117 W CA 1.657 59.026 57.345 0.041 0.000 1.284 117 W CB -0.509 28.967 29.460 0.026 0.000 1.145 117 W HN 0.316 8.496 8.180 -0.000 0.000 0.502 118 R N 1.169 121.560 120.500 -0.182 0.000 2.094 118 R HA -0.211 4.128 4.340 -0.001 0.000 0.239 118 R C 2.632 178.743 176.300 -0.316 0.000 1.137 118 R CA 2.579 58.498 56.100 -0.303 0.000 0.943 118 R CB -1.204 29.047 30.300 -0.082 0.000 0.850 118 R HN 0.037 8.307 8.270 -0.000 0.000 0.433 119 S N -0.932 114.666 115.700 -0.170 0.000 2.393 119 S HA -0.199 4.271 4.470 -0.001 0.000 0.234 119 S C 1.584 176.071 174.600 -0.188 0.000 1.064 119 S CA 1.979 60.103 58.200 -0.127 0.000 1.088 119 S CB -0.310 62.865 63.200 -0.040 0.000 0.939 119 S HN 0.435 8.745 8.310 -0.000 0.000 0.448 120 V N -1.616 118.132 119.914 -0.275 0.000 3.578 120 V HA 0.617 4.736 4.120 -0.001 0.000 0.290 120 V C 1.844 177.618 176.094 -0.533 0.000 1.376 120 V CA 0.622 62.742 62.300 -0.300 0.000 1.083 120 V CB -0.387 31.331 31.823 -0.175 0.000 0.911 120 V HN 0.384 8.574 8.190 -0.000 0.000 0.433 121 A N 1.031 123.318 122.820 -0.889 0.000 1.908 121 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 121 A C 1.963 179.278 177.584 -0.449 0.000 1.181 121 A CA 2.307 53.631 52.037 -1.189 0.000 0.627 121 A CB -0.642 17.581 19.000 -1.295 0.000 0.818 121 A HN 0.552 8.702 8.150 -0.000 0.000 0.445 122 D N -0.778 119.447 120.400 -0.292 0.000 2.084 122 D HA -0.090 4.549 4.640 -0.001 0.000 0.196 122 D C 2.082 178.309 176.300 -0.122 0.000 0.985 122 D CA 1.905 55.817 54.000 -0.146 0.000 0.826 122 D CB -0.604 40.128 40.800 -0.114 0.000 0.978 122 D HN 0.379 8.749 8.370 -0.000 0.000 0.456 123 T N 1.723 116.179 114.554 -0.163 0.000 2.652 123 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 123 T C 2.241 176.824 174.700 -0.194 0.000 1.039 123 T CA 0.692 62.684 62.100 -0.180 0.000 1.153 123 T CB -0.390 68.358 68.868 -0.200 0.000 0.863 123 T HN 0.107 8.347 8.240 -0.000 0.000 0.428 124 L N 0.491 121.604 121.223 -0.183 0.000 2.131 124 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 124 L C 2.822 179.719 176.870 0.045 0.000 1.092 124 L CA 1.292 56.072 54.840 -0.100 0.000 0.759 124 L CB -0.497 41.544 42.059 -0.030 0.000 0.903 124 L HN 0.214 8.444 8.230 -0.000 0.000 0.435 125 R N -0.070 120.491 120.500 0.103 0.000 2.081 125 R HA -0.214 4.126 4.340 -0.001 0.000 0.235 125 R C 2.424 178.784 176.300 0.100 0.000 1.131 125 R CA 1.412 57.626 56.100 0.189 0.000 0.960 125 R CB -0.253 30.167 30.300 0.200 0.000 0.856 125 R HN 0.295 8.565 8.270 -0.000 0.000 0.436 126 Q N 0.856 120.665 119.800 0.015 0.000 2.045 126 Q HA -0.233 4.106 4.340 -0.001 0.000 0.206 126 Q C 1.690 177.668 176.000 -0.036 0.000 0.991 126 Q CA 2.084 57.875 55.803 -0.020 0.000 0.851 126 Q CB -0.004 28.690 28.738 -0.073 0.000 0.911 126 Q HN 0.187 8.457 8.270 -0.000 0.000 0.418 127 K N -0.517 119.835 120.400 -0.080 0.000 2.097 127 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 127 K C 2.008 178.613 176.600 0.007 0.000 1.049 127 K CA 0.959 57.199 56.287 -0.078 0.000 0.933 127 K CB -0.210 32.184 32.500 -0.177 0.000 0.717 127 K HN 0.055 8.305 8.250 -0.000 0.000 0.442 128 V N 0.508 120.450 119.914 0.046 0.000 2.379 128 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 128 V C 1.919 177.986 176.094 -0.045 0.000 1.044 128 V CA 1.613 63.950 62.300 0.062 0.000 1.036 128 V CB -0.270 31.670 31.823 0.195 0.000 0.664 128 V HN 0.323 8.513 8.190 -0.000 0.000 0.453 129 E N -0.110 120.074 120.200 -0.026 0.000 2.106 129 E HA -0.212 4.137 4.350 -0.001 0.000 0.192 129 E C 1.944 178.511 176.600 -0.055 0.000 0.984 129 E CA 1.323 57.682 56.400 -0.068 0.000 0.806 129 E CB -0.082 29.642 29.700 0.039 0.000 0.750 129 E HN 0.565 8.925 8.360 -0.000 0.000 0.458 130 D N 0.136 120.521 120.400 -0.024 0.000 2.117 130 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 130 D C 1.791 178.086 176.300 -0.008 0.000 0.987 130 D CA 1.285 55.274 54.000 -0.019 0.000 0.829 130 D CB -0.244 40.549 40.800 -0.011 0.000 0.961 130 D HN 0.191 8.561 8.370 -0.000 0.000 0.460 131 A N 0.450 123.282 122.820 0.021 0.000 1.930 131 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 131 A C 2.504 180.127 177.584 0.064 0.000 1.175 131 A CA 0.967 53.063 52.037 0.097 0.000 0.627 131 A CB -0.582 18.473 19.000 0.093 0.000 0.815 131 A HN 0.140 8.290 8.150 -0.000 0.000 0.443 132 V N 1.360 121.236 119.914 -0.062 0.000 2.307 132 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 132 V C 2.736 178.788 176.094 -0.071 0.000 1.045 132 V CA 2.286 64.521 62.300 -0.108 0.000 1.024 132 V CB -0.912 30.720 31.823 -0.318 0.000 0.651 132 V HN 0.820 9.010 8.190 -0.000 0.000 0.449 133 R N 0.757 121.213 120.500 -0.073 0.000 2.115 133 R HA -0.182 4.158 4.340 -0.001 0.000 0.230 133 R C 2.010 178.239 176.300 -0.117 0.000 1.111 133 R CA 1.824 57.886 56.100 -0.065 0.000 0.976 133 R CB -0.438 29.837 30.300 -0.043 0.000 0.870 133 R HN 0.504 8.774 8.270 -0.000 0.000 0.445 134 E N 1.355 121.449 120.200 -0.177 0.000 2.072 134 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 134 E C 0.052 176.247 176.600 -0.674 0.000 0.985 134 E CA 1.042 57.212 56.400 -0.383 0.000 0.801 134 E CB 0.235 29.697 29.700 -0.397 0.000 0.750 134 E HN 0.545 8.905 8.360 -0.000 0.000 0.452 135 H N -0.520 118.398 119.070 -0.252 0.000 2.348 135 H HA 0.195 4.751 4.556 -0.001 0.000 0.232 135 H C -2.023 173.178 175.328 -0.212 0.000 1.419 135 H CA -1.570 54.213 56.048 -0.442 0.000 1.416 135 H CB 1.141 30.274 29.762 -1.048 0.000 1.510 135 H HN 0.211 8.491 8.280 -0.000 0.000 0.507 136 P HA -0.090 4.330 4.420 -0.000 0.000 0.234 136 P C 0.802 178.167 177.300 0.108 0.000 1.167 136 P CA 0.834 63.956 63.100 0.037 0.000 0.763 136 P CB 0.341 32.047 31.700 0.010 0.000 0.835 137 D N -2.748 117.757 120.400 0.174 0.000 2.360 137 D HA -0.048 4.591 4.640 -0.001 0.000 0.210 137 D C 0.251 176.764 176.300 0.355 0.000 1.047 137 D CA -0.160 53.979 54.000 0.231 0.000 0.854 137 D CB -0.634 40.295 40.800 0.215 0.000 0.936 137 D HN 0.067 8.437 8.370 -0.000 0.000 0.514 138 Y N 1.666 122.015 120.300 0.081 0.000 2.304 138 Y HA 0.305 4.855 4.550 -0.001 0.000 0.327 138 Y C 1.156 177.091 175.900 0.059 0.000 1.209 138 Y CA -1.495 56.643 58.100 0.063 0.000 1.299 138 Y CB 0.570 39.059 38.460 0.049 0.000 1.249 138 Y HN -0.202 8.078 8.280 -0.000 0.000 0.519 139 R N 1.983 122.584 120.500 0.167 0.000 2.265 139 R HA 0.492 4.832 4.340 -0.001 0.000 0.314 139 R C -1.485 174.888 176.300 0.122 0.000 1.053 139 R CA -0.418 55.757 56.100 0.125 0.000 0.931 139 R CB 0.452 30.806 30.300 0.091 0.000 1.024 139 R HN 0.504 8.774 8.270 -0.000 0.000 0.457 140 V N 5.684 125.671 119.914 0.122 0.000 2.432 140 V HA 0.273 4.392 4.120 -0.001 0.000 0.275 140 V C -0.237 175.887 176.094 0.050 0.000 1.043 140 V CA -0.455 61.914 62.300 0.115 0.000 0.925 140 V CB 1.460 33.380 31.823 0.162 0.000 0.985 140 V HN 0.498 8.688 8.190 -0.000 0.000 0.466 141 V N 5.690 125.646 119.914 0.070 0.000 2.525 141 V HA 0.521 4.641 4.120 -0.001 0.000 0.299 141 V C -0.824 175.399 176.094 0.215 0.000 1.034 141 V CA -0.557 61.738 62.300 -0.009 0.000 0.863 141 V CB 1.770 33.413 31.823 -0.300 0.000 0.999 141 V HN 0.598 8.788 8.190 -0.000 0.000 0.423 142 F N 2.380 122.311 119.950 -0.031 0.000 2.443 142 F HA 0.825 5.352 4.527 -0.001 0.000 0.335 142 F C 0.546 176.372 175.800 0.043 0.000 1.104 142 F CA -0.837 57.177 58.000 0.023 0.000 1.013 142 F CB 1.941 40.997 39.000 0.094 0.000 1.136 142 F HN 0.478 8.778 8.300 -0.000 0.000 0.470 143 T N 0.408 115.109 114.554 0.246 0.000 2.787 143 T HA 0.859 5.208 4.350 -0.001 0.000 0.297 143 T C -0.835 174.013 174.700 0.247 0.000 1.221 143 T CA -0.341 61.906 62.100 0.245 0.000 1.006 143 T CB 2.007 71.005 68.868 0.218 0.000 1.328 143 T HN 1.034 9.274 8.240 -0.000 0.000 0.509 144 G N 0.993 109.962 108.800 0.283 0.000 2.361 144 G HA2 0.381 4.340 3.960 -0.001 0.000 0.299 144 G HA3 0.381 4.340 3.960 -0.001 0.000 0.299 144 G C -2.010 173.066 174.900 0.294 0.000 1.544 144 G CA -0.713 44.520 45.100 0.222 0.000 0.860 144 G HN 0.941 9.231 8.290 -0.000 0.000 0.610 145 H N 0.904 120.045 119.070 0.118 0.000 2.492 145 H HA 0.742 5.297 4.556 -0.001 0.000 0.345 145 H C 0.810 176.170 175.328 0.053 0.000 1.136 145 H CA 0.669 56.770 56.048 0.088 0.000 1.202 145 H CB 1.845 31.663 29.762 0.093 0.000 1.524 145 H HN 1.040 9.320 8.280 -0.000 0.000 0.506 146 S N 1.596 117.036 115.700 -0.434 0.000 3.790 146 S HA -0.321 4.149 4.470 -0.001 0.000 0.628 146 S C 1.509 175.937 174.600 -0.287 0.000 2.348 146 S CA 1.038 59.065 58.200 -0.289 0.000 3.927 146 S CB -1.179 61.815 63.200 -0.344 0.000 0.236 146 S HN 0.702 9.012 8.310 -0.000 0.000 0.953 147 L N 2.680 123.572 121.223 -0.552 0.000 2.043 147 L HA 0.027 4.366 4.340 -0.001 0.000 0.212 147 L C 2.404 179.055 176.870 -0.365 0.000 1.075 147 L CA 3.238 57.737 54.840 -0.567 0.000 0.752 147 L CB -1.451 40.143 42.059 -0.775 0.000 0.891 147 L HN 0.778 9.008 8.230 -0.000 0.000 0.432 148 G N -1.006 107.659 108.800 -0.225 0.000 2.505 148 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.220 148 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.220 148 G C 1.535 176.383 174.900 -0.086 0.000 1.145 148 G CA 0.781 45.831 45.100 -0.083 0.000 0.761 148 G HN 0.646 8.936 8.290 -0.000 0.000 0.571 149 G N 0.892 109.642 108.800 -0.084 0.000 2.422 149 G HA2 0.060 4.020 3.960 -0.001 0.000 0.218 149 G HA3 0.060 4.020 3.960 -0.001 0.000 0.218 149 G C 2.017 176.824 174.900 -0.155 0.000 1.146 149 G CA 1.518 46.577 45.100 -0.068 0.000 0.769 149 G HN 0.686 8.976 8.290 -0.000 0.000 0.547 150 A N 0.588 123.245 122.820 -0.272 0.000 1.873 150 A HA 0.158 4.478 4.320 -0.001 0.000 0.215 150 A C 2.429 179.823 177.584 -0.315 0.000 1.186 150 A CA 1.131 52.963 52.037 -0.342 0.000 0.616 150 A CB -0.447 18.054 19.000 -0.832 0.000 0.823 150 A HN 0.326 8.476 8.150 -0.000 0.000 0.442 151 L N -0.629 120.339 121.223 -0.426 0.000 2.042 151 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 151 L C 3.102 179.444 176.870 -0.880 0.000 1.076 151 L CA 1.111 55.569 54.840 -0.637 0.000 0.749 151 L CB -0.558 41.026 42.059 -0.791 0.000 0.893 151 L HN 0.462 8.692 8.230 -0.000 0.000 0.432 152 A N -0.561 121.909 122.820 -0.583 0.000 1.902 152 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 152 A C 2.351 179.885 177.584 -0.084 0.000 1.181 152 A CA 2.356 54.286 52.037 -0.178 0.000 0.623 152 A CB -0.833 18.239 19.000 0.121 0.000 0.818 152 A HN 0.391 8.541 8.150 -0.000 0.000 0.443 153 T N -0.694 113.782 114.554 -0.130 0.000 2.812 153 T HA -0.068 4.281 4.350 -0.001 0.000 0.264 153 T C 1.873 176.523 174.700 -0.084 0.000 1.042 153 T CA 1.453 63.498 62.100 -0.093 0.000 1.140 153 T CB -0.288 68.528 68.868 -0.087 0.000 0.870 153 T HN 0.140 8.380 8.240 -0.000 0.000 0.445 154 V N 1.562 121.402 119.914 -0.123 0.000 2.379 154 V HA -0.092 4.027 4.120 -0.001 0.000 0.245 154 V C 2.861 178.720 176.094 -0.391 0.000 1.044 154 V CA 1.611 63.870 62.300 -0.070 0.000 1.036 154 V CB -1.074 30.750 31.823 0.001 0.000 0.664 154 V HN 0.504 8.694 8.190 -0.000 0.000 0.453 155 A N 0.434 122.731 122.820 -0.871 0.000 1.902 155 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 155 A C 2.406 179.890 177.584 -0.167 0.000 1.181 155 A CA 1.949 53.207 52.037 -1.297 0.000 0.623 155 A CB -1.235 16.753 19.000 -1.685 0.000 0.818 155 A HN 0.521 8.671 8.150 -0.000 0.000 0.443 156 G N -0.385 108.438 108.800 0.039 0.000 2.446 156 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.217 156 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.217 156 G C 1.772 176.644 174.900 -0.047 0.000 1.168 156 G CA 1.568 46.627 45.100 -0.069 0.000 0.771 156 G HN 0.846 9.136 8.290 -0.000 0.000 0.551 157 A N 0.494 123.328 122.820 0.024 0.000 1.978 157 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 157 A C 2.102 179.818 177.584 0.221 0.000 1.170 157 A CA 2.283 54.426 52.037 0.177 0.000 0.636 157 A CB -0.426 18.769 19.000 0.325 0.000 0.810 157 A HN 0.367 8.517 8.150 -0.000 0.000 0.448 158 D N -0.330 120.172 120.400 0.170 0.000 2.120 158 D HA -0.021 4.619 4.640 -0.001 0.000 0.202 158 D C 1.747 178.181 176.300 0.222 0.000 0.972 158 D CA 0.931 55.075 54.000 0.239 0.000 0.837 158 D CB -0.120 40.923 40.800 0.406 0.000 0.989 158 D HN 0.389 8.759 8.370 -0.000 0.000 0.469 159 L N -0.153 121.196 121.223 0.210 0.000 2.509 159 L HA 0.180 4.520 4.340 -0.001 0.000 0.222 159 L C 1.149 178.011 176.870 -0.014 0.000 1.123 159 L CA -0.050 54.904 54.840 0.189 0.000 0.856 159 L CB -0.010 42.260 42.059 0.353 0.000 0.985 159 L HN -0.116 8.114 8.230 -0.000 0.000 0.456 160 R N 0.099 120.555 120.500 -0.073 0.000 2.861 160 R HA 0.171 4.511 4.340 -0.001 0.000 0.268 160 R C 1.164 177.380 176.300 -0.140 0.000 1.027 160 R CA 0.900 56.897 56.100 -0.172 0.000 1.163 160 R CB 0.010 30.235 30.300 -0.124 0.000 1.060 160 R HN 0.249 8.519 8.270 -0.000 0.000 0.483 161 G N 0.865 109.554 108.800 -0.185 0.000 2.143 161 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.249 161 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.249 161 G C 0.170 174.997 174.900 -0.123 0.000 0.981 161 G CA 0.443 45.472 45.100 -0.118 0.000 0.665 161 G HN 0.714 9.004 8.290 -0.000 0.000 0.528 162 N N -0.164 118.397 118.700 -0.232 0.000 2.328 162 N HA 0.466 5.206 4.740 -0.001 0.000 0.247 162 N C 1.616 177.067 175.510 -0.098 0.000 1.165 162 N CA 1.223 54.184 53.050 -0.149 0.000 0.873 162 N CB 0.255 38.672 38.487 -0.116 0.000 1.125 162 N HN 1.128 9.508 8.380 -0.000 0.000 0.513 163 G N 0.086 108.827 108.800 -0.098 0.000 2.339 163 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.209 163 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.209 163 G C -0.419 174.542 174.900 0.101 0.000 1.015 163 G CA 0.161 45.289 45.100 0.046 0.000 0.635 163 G HN 0.377 8.667 8.290 -0.000 0.000 0.499 164 Y N 1.005 121.318 120.300 0.022 0.000 2.406 164 Y HA 0.784 5.333 4.550 -0.001 0.000 0.340 164 Y C -0.605 175.287 175.900 -0.013 0.000 0.975 164 Y CA -2.112 55.998 58.100 0.017 0.000 1.056 164 Y CB 1.010 39.492 38.460 0.036 0.000 1.210 164 Y HN -0.044 8.236 8.280 -0.000 0.000 0.448 165 D N 3.410 123.837 120.400 0.046 0.000 2.400 165 D HA 0.274 4.913 4.640 -0.001 0.000 0.238 165 D C -0.418 175.874 176.300 -0.013 0.000 1.157 165 D CA 0.616 54.595 54.000 -0.034 0.000 0.889 165 D CB 1.039 41.839 40.800 0.000 0.000 1.199 165 D HN 0.664 9.034 8.370 -0.000 0.000 0.436 166 I N 1.900 122.385 120.570 -0.141 0.000 2.476 166 I HA 0.117 4.287 4.170 -0.001 0.000 0.281 166 I C -0.518 175.458 176.117 -0.234 0.000 1.040 166 I CA -0.860 60.293 61.300 -0.245 0.000 1.094 166 I CB 1.561 39.257 38.000 -0.507 0.000 1.219 166 I HN -0.012 8.198 8.210 -0.000 0.000 0.450 167 D N 5.285 125.605 120.400 -0.133 0.000 2.304 167 D HA 0.435 5.075 4.640 -0.001 0.000 0.247 167 D C -0.417 175.818 176.300 -0.108 0.000 1.089 167 D CA 0.010 53.953 54.000 -0.095 0.000 0.910 167 D CB 2.335 43.193 40.800 0.096 0.000 1.199 167 D HN 0.032 8.402 8.370 -0.000 0.000 0.426 168 V N 2.669 122.476 119.914 -0.178 0.000 2.540 168 V HA 0.420 4.539 4.120 -0.001 0.000 0.302 168 V C -0.836 175.141 176.094 -0.194 0.000 1.035 168 V CA -0.748 61.502 62.300 -0.084 0.000 0.873 168 V CB 1.209 32.976 31.823 -0.094 0.000 0.992 168 V HN 0.341 8.531 8.190 -0.000 0.000 0.428 169 F N 3.018 122.947 119.950 -0.035 0.000 2.445 169 F HA 0.573 5.099 4.527 -0.001 0.000 0.348 169 F C 0.433 176.135 175.800 -0.163 0.000 1.125 169 F CA -0.428 57.526 58.000 -0.075 0.000 0.983 169 F CB 2.120 41.128 39.000 0.014 0.000 1.198 169 F HN 0.459 8.759 8.300 -0.000 0.000 0.436 170 S N 2.831 118.390 115.700 -0.235 0.000 2.473 170 S HA 0.689 5.159 4.470 -0.001 0.000 0.307 170 S C -1.412 172.862 174.600 -0.544 0.000 1.094 170 S CA -0.627 57.437 58.200 -0.227 0.000 1.070 170 S CB 0.729 63.855 63.200 -0.125 0.000 1.019 170 S HN 0.403 8.713 8.310 -0.000 0.000 0.480 171 Y N 1.274 121.510 120.300 -0.107 0.000 2.334 171 Y HA 0.582 5.131 4.550 -0.001 0.000 0.336 171 Y C 1.262 176.859 175.900 -0.505 0.000 0.960 171 Y CA -0.212 57.647 58.100 -0.403 0.000 1.164 171 Y CB 1.423 39.627 38.460 -0.428 0.000 1.155 171 Y HN 1.185 9.465 8.280 -0.000 0.000 0.478 172 G N 2.128 110.710 108.800 -0.364 0.000 2.366 172 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.299 172 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.299 172 G C 0.174 175.157 174.900 0.138 0.000 1.020 172 G CA 0.156 45.340 45.100 0.140 0.000 1.026 172 G HN 0.972 9.262 8.290 -0.000 0.000 0.512 173 A N 0.640 123.498 122.820 0.063 0.000 2.388 173 A HA 0.794 5.114 4.320 -0.001 0.000 0.257 173 A C -1.003 176.676 177.584 0.159 0.000 1.095 173 A CA -1.011 51.060 52.037 0.057 0.000 0.791 173 A CB 0.846 19.845 19.000 -0.002 0.000 1.029 173 A HN 0.316 8.466 8.150 -0.000 0.000 0.489 174 P HA 0.224 4.644 4.420 -0.000 0.000 0.276 174 P C -0.433 176.959 177.300 0.154 0.000 1.261 174 P CA -0.463 62.727 63.100 0.149 0.000 0.800 174 P CB 0.550 32.370 31.700 0.201 0.000 1.066 175 R N -0.142 120.354 120.500 -0.006 0.000 2.694 175 R HA 0.193 4.533 4.340 -0.001 0.000 0.268 175 R C 0.711 177.164 176.300 0.255 0.000 1.061 175 R CA -0.220 55.832 56.100 -0.080 0.000 1.133 175 R CB 0.138 30.278 30.300 -0.267 0.000 1.020 175 R HN 0.276 8.546 8.270 -0.000 0.000 0.475 176 V N 0.376 120.510 119.914 0.366 0.000 3.451 176 V HA 0.307 4.427 4.120 -0.001 0.000 0.288 176 V C 0.237 176.720 176.094 0.648 0.000 1.502 176 V CA 1.088 63.726 62.300 0.563 0.000 1.026 176 V CB 0.942 33.011 31.823 0.409 0.000 0.840 176 V HN 0.983 9.173 8.190 -0.000 0.000 0.437 177 G N 0.543 109.665 108.800 0.537 0.000 2.570 177 G HA2 0.288 4.247 3.960 -0.001 0.000 0.310 177 G HA3 0.288 4.247 3.960 -0.001 0.000 0.310 177 G C -1.014 173.901 174.900 0.026 0.000 1.266 177 G CA -0.053 45.240 45.100 0.321 0.000 0.825 177 G HN 0.326 8.616 8.290 -0.000 0.000 0.483 178 N N -0.815 117.879 118.700 -0.009 0.000 2.495 178 N HA 0.304 5.044 4.740 -0.001 0.000 0.294 178 N C 1.084 176.625 175.510 0.052 0.000 1.276 178 N CA -0.619 52.388 53.050 -0.073 0.000 0.973 178 N CB 0.913 39.336 38.487 -0.107 0.000 1.143 178 N HN 0.476 8.856 8.380 -0.000 0.000 0.589 179 R N -0.941 119.578 120.500 0.031 0.000 2.148 179 R HA 0.160 4.500 4.340 -0.001 0.000 0.223 179 R C 1.875 178.225 176.300 0.083 0.000 1.088 179 R CA 1.412 57.542 56.100 0.051 0.000 0.985 179 R CB -0.809 29.507 30.300 0.026 0.000 0.880 179 R HN 0.708 8.978 8.270 -0.000 0.000 0.451 180 A N -0.375 122.499 122.820 0.090 0.000 1.930 180 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 180 A C 1.904 179.632 177.584 0.239 0.000 1.175 180 A CA 1.035 53.145 52.037 0.121 0.000 0.627 180 A CB -0.661 18.382 19.000 0.071 0.000 0.815 180 A HN 0.439 8.589 8.150 -0.000 0.000 0.443 181 F N 0.872 120.851 119.950 0.049 0.000 2.259 181 F HA 0.090 4.616 4.527 -0.001 0.000 0.298 181 F C 2.420 178.312 175.800 0.153 0.000 1.088 181 F CA 0.375 58.434 58.000 0.098 0.000 1.358 181 F CB -0.561 38.469 39.000 0.050 0.000 1.040 181 F HN 0.245 8.545 8.300 -0.000 0.000 0.505 182 A N -0.249 122.628 122.820 0.095 0.000 1.929 182 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 182 A C 2.164 179.745 177.584 -0.006 0.000 1.176 182 A CA 1.513 53.540 52.037 -0.017 0.000 0.628 182 A CB -0.634 18.385 19.000 0.032 0.000 0.816 182 A HN 0.463 8.613 8.150 -0.000 0.000 0.444 183 E N -1.411 118.828 120.200 0.064 0.000 2.072 183 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 183 E C 1.723 178.352 176.600 0.048 0.000 0.982 183 E CA 1.055 57.484 56.400 0.049 0.000 0.803 183 E CB -0.233 29.511 29.700 0.074 0.000 0.755 183 E HN 0.674 9.034 8.360 -0.000 0.000 0.453 184 F N 1.484 121.433 119.950 -0.002 0.000 2.102 184 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 184 F C 1.889 177.648 175.800 -0.068 0.000 1.105 184 F CA 1.311 59.317 58.000 0.010 0.000 1.239 184 F CB -0.112 38.970 39.000 0.137 0.000 0.991 184 F HN -0.088 8.212 8.300 -0.000 0.000 0.474 185 L N -0.508 120.613 121.223 -0.170 0.000 2.191 185 L HA -0.200 4.139 4.340 -0.001 0.000 0.212 185 L C 2.192 178.897 176.870 -0.275 0.000 1.103 185 L CA 1.562 56.219 54.840 -0.304 0.000 0.769 185 L CB -0.962 40.897 42.059 -0.333 0.000 0.908 185 L HN 0.173 8.403 8.230 -0.000 0.000 0.438 186 T N -0.896 113.537 114.554 -0.203 0.000 2.904 186 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 186 T C 1.684 176.268 174.700 -0.194 0.000 1.059 186 T CA 1.530 63.527 62.100 -0.171 0.000 1.137 186 T CB -0.002 68.800 68.868 -0.110 0.000 0.879 186 T HN 0.359 8.599 8.240 -0.000 0.000 0.467 187 V N -1.180 118.597 119.914 -0.228 0.000 3.661 187 V HA 0.299 4.419 4.120 -0.001 0.000 0.271 187 V C 0.878 176.803 176.094 -0.281 0.000 1.315 187 V CA -0.413 61.762 62.300 -0.209 0.000 1.072 187 V CB -0.681 31.053 31.823 -0.149 0.000 0.830 187 V HN 0.286 8.476 8.190 -0.000 0.000 0.443 188 Q N 2.564 122.096 119.800 -0.446 0.000 2.304 188 Q HA 0.173 4.512 4.340 -0.001 0.000 0.301 188 Q C 0.376 176.204 176.000 -0.286 0.000 1.063 188 Q CA 0.994 56.503 55.803 -0.491 0.000 0.947 188 Q CB 0.633 28.975 28.738 -0.659 0.000 1.201 188 Q HN 0.807 9.077 8.270 -0.000 0.000 0.389 189 T N -0.241 114.186 114.554 -0.212 0.000 2.948 189 T HA 0.689 5.039 4.350 -0.001 0.000 0.285 189 T C 0.692 175.309 174.700 -0.139 0.000 1.019 189 T CA -0.113 61.898 62.100 -0.149 0.000 1.013 189 T CB 1.710 70.516 68.868 -0.104 0.000 1.117 189 T HN 0.958 9.198 8.240 -0.000 0.000 0.533 190 G N -0.990 107.740 108.800 -0.118 0.000 2.131 190 G HA2 0.414 4.374 3.960 -0.001 0.000 0.201 190 G HA3 0.414 4.374 3.960 -0.001 0.000 0.201 190 G C 0.571 175.388 174.900 -0.138 0.000 1.000 190 G CA -0.011 45.015 45.100 -0.123 0.000 0.680 190 G HN 2.361 10.651 8.290 -0.000 0.000 0.514 191 G N -2.369 106.351 108.800 -0.132 0.000 2.334 191 G HA2 0.536 4.496 3.960 -0.001 0.000 0.566 191 G HA3 0.536 4.496 3.960 -0.001 0.000 0.566 191 G C -0.643 174.137 174.900 -0.199 0.000 1.413 191 G CA 0.223 45.237 45.100 -0.143 0.000 0.993 191 G HN 1.286 9.576 8.290 -0.000 0.000 0.642 192 T N 0.507 114.915 114.554 -0.244 0.000 2.829 192 T HA 0.584 4.934 4.350 -0.001 0.000 0.280 192 T C -0.361 174.006 174.700 -0.555 0.000 0.999 192 T CA -0.439 61.405 62.100 -0.426 0.000 0.983 192 T CB 1.715 70.243 68.868 -0.568 0.000 0.968 192 T HN 1.189 9.429 8.240 -0.000 0.000 0.446 193 L N 3.808 124.713 121.223 -0.529 0.000 2.257 193 L HA 0.503 4.842 4.340 -0.001 0.000 0.290 193 L C -1.624 174.937 176.870 -0.515 0.000 1.044 193 L CA -0.604 53.975 54.840 -0.435 0.000 0.810 193 L CB -0.113 41.773 42.059 -0.289 0.000 1.193 193 L HN 0.591 8.821 8.230 -0.000 0.000 0.425 194 Y N 4.939 124.995 120.300 -0.406 0.000 2.491 194 Y HA 0.463 5.013 4.550 -0.001 0.000 0.334 194 Y C 0.279 176.008 175.900 -0.285 0.000 0.969 194 Y CA -0.408 57.506 58.100 -0.311 0.000 1.241 194 Y CB 0.739 38.837 38.460 -0.603 0.000 1.105 194 Y HN 0.562 8.842 8.280 -0.000 0.000 0.503 195 R N 4.610 125.121 120.500 0.017 0.000 2.204 195 R HA 0.537 4.877 4.340 -0.001 0.000 0.341 195 R C -1.270 175.007 176.300 -0.039 0.000 1.035 195 R CA -0.225 55.822 56.100 -0.088 0.000 0.887 195 R CB 0.132 30.365 30.300 -0.111 0.000 1.114 195 R HN 0.685 8.955 8.270 -0.000 0.000 0.473 196 I N 3.962 124.431 120.570 -0.169 0.000 2.392 196 I HA 0.306 4.476 4.170 -0.001 0.000 0.295 196 I C 0.233 176.467 176.117 0.194 0.000 0.985 196 I CA -0.526 60.745 61.300 -0.049 0.000 1.221 196 I CB 2.083 39.900 38.000 -0.306 0.000 1.366 196 I HN 0.658 8.868 8.210 -0.000 0.000 0.467 197 T N 1.265 116.055 114.554 0.394 0.000 2.906 197 T HA 0.427 4.777 4.350 -0.001 0.000 0.295 197 T C -0.981 174.072 174.700 0.589 0.000 1.075 197 T CA -0.759 61.681 62.100 0.566 0.000 1.005 197 T CB 1.923 71.028 68.868 0.395 0.000 1.136 197 T HN 0.639 8.879 8.240 -0.000 0.000 0.498 198 H N 1.507 120.768 119.070 0.318 0.000 2.529 198 H HA 0.370 4.925 4.556 -0.001 0.000 0.348 198 H C 1.257 176.677 175.328 0.152 0.000 1.079 198 H CA 0.002 56.017 56.048 -0.055 0.000 1.198 198 H CB 1.668 31.066 29.762 -0.607 0.000 1.521 198 H HN 1.230 9.509 8.280 -0.000 0.000 0.514 199 T N 2.783 117.205 114.554 -0.220 0.000 3.485 199 T HA -0.418 3.931 4.350 -0.001 0.000 0.120 199 T C 0.900 175.773 174.700 0.288 0.000 1.733 199 T CA 1.994 64.084 62.100 -0.017 0.000 0.863 199 T CB -1.263 67.360 68.868 -0.409 0.000 0.967 199 T HN 0.804 9.044 8.240 -0.000 0.000 0.405 200 N N 2.015 120.759 118.700 0.074 0.000 2.535 200 N HA 0.291 5.031 4.740 -0.001 0.000 0.294 200 N C -0.838 174.741 175.510 0.115 0.000 1.408 200 N CA -0.006 53.114 53.050 0.116 0.000 0.927 200 N CB 0.112 38.649 38.487 0.082 0.000 1.276 200 N HN 0.785 9.165 8.380 -0.000 0.000 0.505 201 D N 0.765 121.265 120.400 0.167 0.000 2.493 201 D HA -0.056 4.583 4.640 -0.001 0.000 0.240 201 D C 1.164 177.571 176.300 0.178 0.000 1.142 201 D CA -0.138 54.006 54.000 0.240 0.000 0.872 201 D CB 0.842 41.890 40.800 0.413 0.000 1.173 201 D HN 0.328 8.698 8.370 -0.000 0.000 0.467 202 I N 3.672 124.314 120.570 0.121 0.000 2.315 202 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 202 I C 1.710 177.847 176.117 0.033 0.000 1.117 202 I CA 0.675 62.010 61.300 0.059 0.000 1.404 202 I CB 0.273 38.292 38.000 0.031 0.000 1.071 202 I HN 0.347 8.557 8.210 -0.000 0.000 0.419 203 V N 2.260 122.177 119.914 0.006 0.000 2.407 203 V HA -0.109 4.011 4.120 -0.001 0.000 0.248 203 V C -0.654 175.497 176.094 0.096 0.000 1.055 203 V CA 1.787 64.086 62.300 -0.002 0.000 1.049 203 V CB -2.101 29.644 31.823 -0.131 0.000 0.662 203 V HN 0.406 8.596 8.190 -0.000 0.000 0.455 204 P HA -0.028 4.392 4.420 -0.000 0.000 0.237 204 P C 1.250 178.684 177.300 0.224 0.000 1.178 204 P CA 0.843 64.108 63.100 0.275 0.000 0.766 204 P CB -0.095 31.773 31.700 0.280 0.000 0.876 205 R N -1.132 119.422 120.500 0.089 0.000 2.317 205 R HA 0.274 4.614 4.340 -0.001 0.000 0.208 205 R C 0.406 176.649 176.300 -0.096 0.000 0.914 205 R CA 0.207 56.313 56.100 0.010 0.000 1.060 205 R CB -0.103 30.206 30.300 0.015 0.000 1.015 205 R HN 0.202 8.472 8.270 -0.000 0.000 0.498 206 L N 0.140 121.283 121.223 -0.133 0.000 2.370 206 L HA 0.523 4.863 4.340 -0.001 0.000 0.266 206 L C -2.444 174.225 176.870 -0.334 0.000 1.002 206 L CA -2.716 51.959 54.840 -0.274 0.000 0.818 206 L CB 2.431 44.370 42.059 -0.200 0.000 1.325 206 L HN -0.242 7.988 8.230 -0.000 0.000 0.418 207 P HA 0.162 4.582 4.420 -0.000 0.000 0.272 207 P C -2.547 174.308 177.300 -0.742 0.000 1.240 207 P CA -0.979 61.496 63.100 -1.041 0.000 0.791 207 P CB 0.013 30.793 31.700 -1.533 0.000 0.978 208 P HA 0.134 4.554 4.420 -0.000 0.000 0.272 208 P C 0.905 178.183 177.300 -0.038 0.000 1.230 208 P CA -0.071 62.888 63.100 -0.235 0.000 0.788 208 P CB 0.458 32.120 31.700 -0.064 0.000 0.949 209 R N 1.294 121.793 120.500 -0.001 0.000 2.120 209 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 209 R C 1.338 177.669 176.300 0.052 0.000 1.123 209 R CA 1.497 57.623 56.100 0.043 0.000 0.975 209 R CB -0.635 29.671 30.300 0.011 0.000 0.866 209 R HN 0.557 8.827 8.270 -0.000 0.000 0.446 210 E N -0.315 119.900 120.200 0.026 0.000 2.472 210 E HA -0.089 4.261 4.350 -0.001 0.000 0.200 210 E C 0.500 176.951 176.600 -0.248 0.000 1.046 210 E CA 0.670 57.012 56.400 -0.096 0.000 0.871 210 E CB -0.140 29.465 29.700 -0.157 0.000 0.806 210 E HN 0.245 8.605 8.360 -0.000 0.000 0.533 211 F N -0.312 119.655 119.950 0.028 0.000 2.668 211 F HA 0.314 4.841 4.527 -0.001 0.000 0.297 211 F C 1.257 177.155 175.800 0.164 0.000 1.124 211 F CA 0.021 58.094 58.000 0.121 0.000 1.353 211 F CB 0.585 39.657 39.000 0.120 0.000 0.992 211 F HN 0.008 8.308 8.300 -0.000 0.000 0.524 212 G N 0.208 109.102 108.800 0.156 0.000 2.256 212 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.272 212 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.272 212 G C -0.629 174.244 174.900 -0.045 0.000 1.076 212 G CA -0.381 44.734 45.100 0.026 0.000 0.882 212 G HN 0.334 8.624 8.290 -0.000 0.000 0.497 213 Y N -0.330 119.977 120.300 0.013 0.000 2.446 213 Y HA 0.734 5.284 4.550 -0.001 0.000 0.345 213 Y C 0.516 176.391 175.900 -0.041 0.000 0.984 213 Y CA -0.650 57.447 58.100 -0.005 0.000 1.058 213 Y CB 2.541 40.974 38.460 -0.044 0.000 1.220 213 Y HN 0.196 8.476 8.280 -0.000 0.000 0.455 214 S N 1.197 116.964 115.700 0.112 0.000 2.570 214 S HA 0.451 4.921 4.470 -0.001 0.000 0.286 214 S C -1.634 172.983 174.600 0.027 0.000 1.099 214 S CA -0.705 57.524 58.200 0.049 0.000 0.913 214 S CB 0.898 64.128 63.200 0.050 0.000 1.085 214 S HN 0.525 8.835 8.310 -0.000 0.000 0.480 215 H N 1.450 120.544 119.070 0.040 0.000 2.458 215 H HA 0.435 4.991 4.556 -0.001 0.000 0.330 215 H C 0.361 175.671 175.328 -0.031 0.000 1.111 215 H CA -0.356 55.696 56.048 0.007 0.000 1.245 215 H CB 1.479 31.236 29.762 -0.007 0.000 1.456 215 H HN 0.704 8.984 8.280 -0.000 0.000 0.488 216 S N 1.920 117.686 115.700 0.111 0.000 2.600 216 S HA 0.247 4.717 4.470 -0.001 0.000 0.265 216 S C 0.572 175.141 174.600 -0.052 0.000 1.325 216 S CA -0.723 57.466 58.200 -0.018 0.000 1.002 216 S CB 1.393 64.538 63.200 -0.092 0.000 0.921 216 S HN 0.503 8.813 8.310 -0.000 0.000 0.554 217 S N 1.332 116.984 115.700 -0.080 0.000 2.568 217 S HA 0.754 5.224 4.470 -0.001 0.000 0.302 217 S C -2.563 171.962 174.600 -0.126 0.000 1.082 217 S CA -1.737 56.401 58.200 -0.103 0.000 1.009 217 S CB 0.953 64.104 63.200 -0.082 0.000 1.069 217 S HN 0.757 9.067 8.310 -0.000 0.000 0.500 218 P HA 0.383 4.803 4.420 -0.000 0.000 0.306 218 P C -1.282 175.883 177.300 -0.224 0.000 1.309 218 P CA -0.438 62.542 63.100 -0.199 0.000 0.759 218 P CB 0.474 32.012 31.700 -0.269 0.000 1.314 219 E N -0.860 119.174 120.200 -0.276 0.000 2.248 219 E HA 0.335 4.684 4.350 -0.001 0.000 0.267 219 E C -1.617 174.851 176.600 -0.220 0.000 0.877 219 E CA -0.688 55.598 56.400 -0.192 0.000 0.759 219 E CB 1.109 30.717 29.700 -0.154 0.000 1.182 219 E HN 0.290 8.650 8.360 -0.000 0.000 0.418 220 Y N 3.253 123.604 120.300 0.085 0.000 2.478 220 Y HA 0.285 4.835 4.550 -0.001 0.000 0.329 220 Y C -0.846 175.206 175.900 0.254 0.000 0.967 220 Y CA -0.729 57.480 58.100 0.183 0.000 1.255 220 Y CB 0.754 39.289 38.460 0.125 0.000 1.103 220 Y HN 0.498 8.778 8.280 -0.000 0.000 0.497 221 W N 6.527 127.930 121.300 0.171 0.000 2.349 221 W HA 0.595 5.255 4.660 -0.000 0.000 0.309 221 W C -1.150 175.463 176.519 0.158 0.000 1.083 221 W CA -1.844 55.582 57.345 0.136 0.000 1.224 221 W CB 0.582 30.086 29.460 0.073 0.000 1.256 221 W HN 0.373 8.553 8.180 -0.000 0.000 0.461 222 I N 8.045 128.545 120.570 -0.116 0.000 2.322 222 I HA 0.066 4.236 4.170 -0.001 0.000 0.292 222 I C 1.166 176.917 176.117 -0.610 0.000 1.060 222 I CA 0.005 61.162 61.300 -0.239 0.000 1.309 222 I CB 0.930 38.857 38.000 -0.123 0.000 1.415 222 I HN 0.478 8.688 8.210 -0.000 0.000 0.492 223 K N 3.230 123.255 120.400 -0.625 0.000 2.314 223 K HA 0.043 4.363 4.320 -0.001 0.000 0.198 223 K C 0.844 177.243 176.600 -0.335 0.000 1.045 223 K CA 0.195 56.034 56.287 -0.747 0.000 0.988 223 K CB 0.156 32.304 32.500 -0.587 0.000 0.783 223 K HN 0.730 8.980 8.250 -0.000 0.000 0.484 224 S N 0.675 116.283 115.700 -0.153 0.000 2.584 224 S HA 0.242 4.712 4.470 -0.001 0.000 0.270 224 S C 0.690 175.336 174.600 0.077 0.000 1.346 224 S CA -0.804 57.378 58.200 -0.030 0.000 1.018 224 S CB 1.119 64.329 63.200 0.017 0.000 0.899 224 S HN 0.237 8.547 8.310 -0.000 0.000 0.542 225 G N 0.432 109.258 108.800 0.044 0.000 2.616 225 G HA2 0.442 4.402 3.960 -0.001 0.000 0.268 225 G HA3 0.442 4.402 3.960 -0.001 0.000 0.268 225 G C -0.238 174.716 174.900 0.089 0.000 1.213 225 G CA -0.784 44.336 45.100 0.034 0.000 0.926 225 G HN 0.755 9.045 8.290 -0.000 0.000 0.523 226 T N 1.087 115.648 114.554 0.011 0.000 2.902 226 T HA 0.153 4.503 4.350 -0.001 0.000 0.301 226 T C 1.285 175.495 174.700 -0.816 0.000 1.012 226 T CA 0.481 62.429 62.100 -0.254 0.000 1.151 226 T CB 0.087 68.915 68.868 -0.067 0.000 0.946 226 T HN 0.611 8.851 8.240 -0.000 0.000 0.542 227 L N 1.173 121.135 121.223 -2.101 0.000 4.496 227 L HA -0.168 4.172 4.340 -0.001 0.000 0.419 227 L C -0.063 176.282 176.870 -0.875 0.000 1.139 227 L CA 0.060 53.704 54.840 -1.993 0.000 0.975 227 L CB -1.898 39.613 42.059 -0.913 0.000 2.099 227 L HN 0.412 8.642 8.230 -0.000 0.000 0.818 228 V N -0.446 119.228 119.914 -0.399 0.000 2.398 228 V HA 0.431 4.550 4.120 -0.001 0.000 0.286 228 V C -1.827 174.483 176.094 0.361 0.000 1.026 228 V CA -1.559 60.761 62.300 0.032 0.000 0.868 228 V CB 1.554 33.385 31.823 0.013 0.000 0.982 228 V HN -0.135 8.055 8.190 -0.000 0.000 0.443 229 P HA 0.119 4.539 4.420 -0.000 0.000 0.266 229 P C -0.541 176.882 177.300 0.205 0.000 1.195 229 P CA 0.060 63.328 63.100 0.280 0.000 0.768 229 P CB 0.461 32.277 31.700 0.194 0.000 0.838 230 V N 3.043 123.083 119.914 0.209 0.000 2.509 230 V HA 0.448 4.567 4.120 -0.001 0.000 0.284 230 V C 0.924 177.223 176.094 0.341 0.000 1.047 230 V CA -0.156 62.262 62.300 0.197 0.000 0.952 230 V CB 1.141 32.957 31.823 -0.010 0.000 0.988 230 V HN 0.731 8.921 8.190 -0.000 0.000 0.469 231 T N 1.519 116.166 114.554 0.156 0.000 2.905 231 T HA 0.447 4.796 4.350 -0.001 0.000 0.283 231 T C 0.946 175.574 174.700 -0.120 0.000 1.031 231 T CA -0.741 61.289 62.100 -0.116 0.000 1.002 231 T CB 1.537 70.330 68.868 -0.125 0.000 1.200 231 T HN 0.666 8.906 8.240 -0.000 0.000 0.560 232 R N 0.583 120.853 120.500 -0.383 0.000 2.235 232 R HA 0.080 4.420 4.340 -0.001 0.000 0.213 232 R C 1.102 177.430 176.300 0.047 0.000 1.059 232 R CA 1.185 57.225 56.100 -0.100 0.000 0.997 232 R CB -0.804 29.389 30.300 -0.178 0.000 0.884 232 R HN 0.618 8.888 8.270 -0.000 0.000 0.462 233 N N 0.727 119.425 118.700 -0.004 0.000 2.467 233 N HA -0.039 4.701 4.740 -0.001 0.000 0.184 233 N C 0.186 175.720 175.510 0.040 0.000 1.106 233 N CA 0.566 53.631 53.050 0.024 0.000 0.892 233 N CB 0.279 38.765 38.487 -0.002 0.000 0.969 233 N HN 0.212 8.592 8.380 -0.000 0.000 0.454 234 D N 0.255 120.684 120.400 0.049 0.000 2.339 234 D HA 0.118 4.758 4.640 -0.001 0.000 0.217 234 D C 0.019 176.338 176.300 0.032 0.000 1.050 234 D CA 0.338 54.347 54.000 0.015 0.000 0.856 234 D CB 0.645 41.448 40.800 0.006 0.000 0.922 234 D HN 0.306 8.676 8.370 -0.000 0.000 0.518 235 I N 1.309 121.972 120.570 0.155 0.000 2.339 235 I HA 0.181 4.351 4.170 -0.001 0.000 0.290 235 I C -0.317 175.964 176.117 0.274 0.000 0.994 235 I CA -0.701 60.750 61.300 0.251 0.000 1.191 235 I CB 2.155 40.424 38.000 0.448 0.000 1.343 235 I HN -0.402 7.808 8.210 -0.000 0.000 0.458 236 V N 6.447 126.528 119.914 0.279 0.000 2.483 236 V HA 0.297 4.417 4.120 -0.001 0.000 0.295 236 V C 0.149 176.406 176.094 0.272 0.000 1.035 236 V CA -0.877 61.588 62.300 0.276 0.000 0.896 236 V CB 1.913 33.914 31.823 0.297 0.000 0.986 236 V HN 0.621 8.811 8.190 -0.000 0.000 0.447 237 K N 4.692 125.195 120.400 0.171 0.000 2.285 237 K HA 0.562 4.881 4.320 -0.001 0.000 0.286 237 K C -1.154 175.412 176.600 -0.056 0.000 1.072 237 K CA -0.323 55.938 56.287 -0.044 0.000 0.913 237 K CB 0.517 32.996 32.500 -0.034 0.000 1.067 237 K HN 0.588 8.838 8.250 -0.000 0.000 0.479 238 I N 4.372 124.871 120.570 -0.118 0.000 2.406 238 I HA 0.190 4.360 4.170 -0.001 0.000 0.290 238 I C -0.197 175.841 176.117 -0.131 0.000 0.999 238 I CA -0.554 60.693 61.300 -0.088 0.000 1.124 238 I CB 1.789 39.739 38.000 -0.084 0.000 1.289 238 I HN 0.541 8.751 8.210 -0.000 0.000 0.441 239 E N 4.624 124.766 120.200 -0.096 0.000 2.202 239 E HA 0.742 5.092 4.350 -0.001 0.000 0.272 239 E C -0.322 176.235 176.600 -0.072 0.000 0.951 239 E CA -0.933 55.412 56.400 -0.091 0.000 0.813 239 E CB 2.172 31.832 29.700 -0.067 0.000 1.151 239 E HN 0.817 9.177 8.360 -0.000 0.000 0.398 240 G N 2.212 110.971 108.800 -0.067 0.000 3.400 240 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.679 240 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.679 240 G C -0.485 174.390 174.900 -0.042 0.000 1.239 240 G CA -1.069 44.001 45.100 -0.049 0.000 1.049 240 G HN 0.467 8.757 8.290 -0.000 0.000 0.539 241 I N 2.854 123.406 120.570 -0.029 0.000 2.828 241 I HA 0.022 4.191 4.170 -0.001 0.000 0.292 241 I C 0.810 176.929 176.117 0.003 0.000 1.206 241 I CA 0.885 62.179 61.300 -0.010 0.000 1.420 241 I CB 0.323 38.321 38.000 -0.004 0.000 1.368 241 I HN 0.717 8.927 8.210 -0.000 0.000 0.556 242 D N 3.358 123.775 120.400 0.029 0.000 3.068 242 D HA -0.158 4.481 4.640 -0.001 0.000 0.218 242 D C 0.353 176.650 176.300 -0.004 0.000 1.145 242 D CA 0.981 55.000 54.000 0.031 0.000 0.896 242 D CB -1.025 39.785 40.800 0.018 0.000 1.105 242 D HN 0.663 9.033 8.370 -0.000 0.000 0.423 243 A N 0.233 123.036 122.820 -0.027 0.000 2.429 243 A HA 0.487 4.807 4.320 -0.001 0.000 0.242 243 A C 1.199 178.736 177.584 -0.078 0.000 1.088 243 A CA 0.915 52.918 52.037 -0.056 0.000 0.784 243 A CB 0.480 19.435 19.000 -0.075 0.000 1.038 243 A HN 0.329 8.479 8.150 -0.000 0.000 0.501 244 T N -2.889 111.609 114.554 -0.094 0.000 2.938 244 T HA 0.683 5.033 4.350 -0.001 0.000 0.285 244 T C 0.864 175.454 174.700 -0.183 0.000 1.028 244 T CA 0.244 62.266 62.100 -0.130 0.000 1.005 244 T CB 1.463 70.275 68.868 -0.094 0.000 1.157 244 T HN 2.421 10.661 8.240 -0.000 0.000 0.550 245 G N -1.039 107.610 108.800 -0.253 0.000 2.213 245 G HA2 0.017 3.977 3.960 -0.001 0.000 0.226 245 G HA3 0.017 3.977 3.960 -0.001 0.000 0.226 245 G C 0.531 175.021 174.900 -0.683 0.000 0.992 245 G CA 0.250 45.166 45.100 -0.305 0.000 0.632 245 G HN 1.297 9.587 8.290 -0.000 0.000 0.511 246 G N -0.207 108.062 108.800 -0.884 0.000 3.306 246 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 246 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 246 G C 1.047 175.015 174.900 -1.552 0.000 1.673 246 G CA 1.022 45.017 45.100 -1.842 0.000 0.776 246 G HN 0.349 8.639 8.290 -0.000 0.000 0.740 247 N N 0.611 118.790 118.700 -0.868 0.000 2.216 247 N HA -0.106 4.634 4.740 -0.001 0.000 0.183 247 N C 0.446 175.856 175.510 -0.167 0.000 1.017 247 N CA 0.475 53.364 53.050 -0.268 0.000 0.861 247 N CB -0.133 38.360 38.487 0.009 0.000 0.986 247 N HN 0.225 8.605 8.380 -0.000 0.000 0.428 248 N N 1.915 120.510 118.700 -0.176 0.000 2.892 248 N HA 0.017 4.757 4.740 -0.001 0.000 0.300 248 N C -1.207 174.231 175.510 -0.119 0.000 1.211 248 N CA 0.324 53.319 53.050 -0.092 0.000 1.158 248 N CB -0.219 38.238 38.487 -0.051 0.000 1.455 248 N HN 0.328 8.708 8.380 -0.000 0.000 0.524 249 Q N 0.852 120.593 119.800 -0.098 0.000 2.399 249 Q HA 0.456 4.795 4.340 -0.001 0.000 0.276 249 Q C -2.227 173.754 176.000 -0.033 0.000 1.098 249 Q CA -1.907 53.849 55.803 -0.077 0.000 0.827 249 Q CB 2.181 30.866 28.738 -0.089 0.000 1.386 249 Q HN 0.362 8.632 8.270 -0.000 0.000 0.443 250 P HA 0.086 4.506 4.420 -0.000 0.000 0.214 250 P C -1.526 175.774 177.300 0.001 0.000 1.826 250 P CA -0.013 63.081 63.100 -0.010 0.000 0.977 250 P CB -0.202 31.492 31.700 -0.010 0.000 1.930 251 N N 0.608 119.313 118.700 0.007 0.000 2.761 251 N HA 0.348 5.088 4.740 -0.001 0.000 0.283 251 N C -0.841 174.681 175.510 0.021 0.000 1.377 251 N CA -1.446 51.614 53.050 0.016 0.000 0.791 251 N CB 0.559 39.060 38.487 0.022 0.000 1.540 251 N HN -0.055 8.325 8.380 -0.000 0.000 0.539 252 I N 0.636 121.220 120.570 0.024 0.000 2.496 252 I HA 0.386 4.556 4.170 -0.001 0.000 0.285 252 I C -2.300 173.837 176.117 0.034 0.000 1.080 252 I CA -1.490 59.826 61.300 0.027 0.000 1.404 252 I CB 0.510 38.525 38.000 0.024 0.000 1.403 252 I HN 0.535 8.745 8.210 -0.000 0.000 0.539 253 P HA 0.382 4.802 4.420 -0.000 0.000 0.302 253 P C -1.610 175.723 177.300 0.055 0.000 1.307 253 P CA -0.263 62.867 63.100 0.050 0.000 0.754 253 P CB 0.702 32.430 31.700 0.047 0.000 1.298 254 D N -2.307 118.137 120.400 0.074 0.000 2.717 254 D HA 0.319 4.959 4.640 -0.001 0.000 0.223 254 D C 0.447 176.821 176.300 0.124 0.000 1.240 254 D CA -0.524 53.527 54.000 0.085 0.000 0.801 254 D CB 1.165 42.010 40.800 0.074 0.000 1.556 254 D HN 0.095 8.465 8.370 -0.000 0.000 0.462 255 I N 2.353 123.003 120.570 0.132 0.000 2.628 255 I HA 0.123 4.293 4.170 -0.001 0.000 0.255 255 I C -1.061 175.202 176.117 0.242 0.000 1.119 255 I CA -0.292 61.118 61.300 0.183 0.000 1.448 255 I CB -0.560 37.529 38.000 0.149 0.000 1.133 255 I HN 0.364 8.574 8.210 -0.000 0.000 0.438 256 P HA -0.194 4.226 4.420 -0.000 0.000 0.216 256 P C 1.469 178.923 177.300 0.257 0.000 1.150 256 P CA 1.730 64.940 63.100 0.183 0.000 0.843 256 P CB -0.013 31.750 31.700 0.104 0.000 0.787 257 A N -0.957 122.017 122.820 0.257 0.000 2.019 257 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 257 A C 2.188 180.082 177.584 0.517 0.000 1.164 257 A CA 1.877 54.118 52.037 0.340 0.000 0.644 257 A CB -1.672 17.408 19.000 0.132 0.000 0.805 257 A HN 0.229 8.379 8.150 -0.000 0.000 0.449 258 H N -0.170 119.126 119.070 0.377 0.000 2.462 258 H HA 0.126 4.682 4.556 -0.001 0.000 0.292 258 H C 1.155 176.853 175.328 0.616 0.000 1.049 258 H CA 1.331 57.694 56.048 0.526 0.000 1.334 258 H CB -0.164 29.835 29.762 0.395 0.000 1.404 258 H HN 0.388 8.668 8.280 -0.000 0.000 0.544 259 L N -0.662 120.790 121.223 0.382 0.000 2.685 259 L HA 0.102 4.442 4.340 -0.001 0.000 0.233 259 L C 0.064 177.070 176.870 0.226 0.000 1.173 259 L CA -0.203 54.759 54.840 0.204 0.000 0.961 259 L CB 0.098 42.259 42.059 0.170 0.000 1.217 259 L HN 0.350 8.580 8.230 -0.000 0.000 0.478 260 W N 0.449 121.738 121.300 -0.019 0.000 2.423 260 W HA 0.293 4.953 4.660 -0.001 0.000 0.286 260 W C -1.765 174.441 176.519 -0.522 0.000 1.001 260 W CA -0.533 56.685 57.345 -0.210 0.000 1.643 260 W CB 0.999 30.345 29.460 -0.190 0.000 1.593 260 W HN -0.044 8.136 8.180 -0.000 0.000 0.403 261 Y N 5.955 125.960 120.300 -0.491 0.000 2.842 261 Y HA 0.204 4.754 4.550 -0.001 0.000 0.334 261 Y C 0.351 176.023 175.900 -0.381 0.000 1.019 261 Y CA -0.196 57.675 58.100 -0.382 0.000 1.258 261 Y CB -0.116 38.331 38.460 -0.022 0.000 1.106 261 Y HN 0.364 8.644 8.280 -0.000 0.000 0.545 262 F N -0.738 118.841 119.950 -0.619 0.000 2.518 262 F HA -0.302 4.225 4.527 -0.001 0.000 0.648 262 F C 1.114 176.377 175.800 -0.894 0.000 0.494 262 F CA 1.250 58.923 58.000 -0.546 0.000 0.962 262 F CB -1.437 37.354 39.000 -0.349 0.000 1.777 262 F HN 0.545 8.845 8.300 -0.000 0.000 0.262 263 G N -0.975 107.166 108.800 -1.098 0.000 2.548 263 G HA2 0.550 4.510 3.960 -0.001 0.000 0.301 263 G HA3 0.550 4.510 3.960 -0.001 0.000 0.301 263 G C -1.486 172.796 174.900 -1.029 0.000 1.349 263 G CA -0.880 43.342 45.100 -1.463 0.000 0.792 263 G HN 0.083 8.373 8.290 -0.000 0.000 0.481 264 L N 0.434 121.376 121.223 -0.468 0.000 2.543 264 L HA 0.427 4.767 4.340 -0.001 0.000 0.285 264 L C 0.502 177.233 176.870 -0.232 0.000 1.236 264 L CA 0.383 55.166 54.840 -0.094 0.000 0.871 264 L CB 0.433 42.519 42.059 0.046 0.000 1.121 264 L HN 0.541 8.771 8.230 -0.000 0.000 0.501 265 I N 0.643 121.057 120.570 -0.261 0.000 2.722 265 I HA 0.494 4.664 4.170 -0.001 0.000 0.292 265 I C 0.615 176.337 176.117 -0.658 0.000 1.267 265 I CA 0.334 61.351 61.300 -0.471 0.000 1.036 265 I CB 1.928 39.592 38.000 -0.561 0.000 1.281 265 I HN 0.644 8.854 8.210 -0.000 0.000 0.423 266 G N 3.443 111.653 108.800 -0.983 0.000 2.199 266 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.254 266 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.254 266 G C 0.592 175.063 174.900 -0.715 0.000 0.982 266 G CA 0.694 44.974 45.100 -1.367 0.000 0.632 266 G HN 0.992 9.282 8.290 -0.000 0.000 0.529 267 T N -2.858 111.470 114.554 -0.377 0.000 3.092 267 T HA 0.438 4.788 4.350 -0.001 0.000 0.258 267 T C 1.141 175.794 174.700 -0.080 0.000 1.031 267 T CA 0.556 62.562 62.100 -0.157 0.000 0.925 267 T CB 0.098 68.918 68.868 -0.079 0.000 1.036 267 T HN 0.817 9.057 8.240 -0.000 0.000 0.544 268 c N 2.584 121.144 118.600 -0.067 0.000 2.648 268 c HA 0.558 5.128 4.570 -0.001 0.000 0.419 268 c C 0.566 174.691 174.090 0.059 0.000 1.352 268 c CA -0.704 55.637 56.329 0.019 0.000 1.816 268 c CB -1.338 41.212 42.510 0.068 0.000 2.598 268 c HN 0.490 8.720 8.230 -0.000 0.000 0.598 269 L N 0.000 121.248 121.223 0.042 0.000 2.949 269 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 269 L CA 0.000 54.867 54.840 0.045 0.000 0.813 269 L CB 0.000 42.075 42.059 0.027 0.000 0.961 269 L HN 0.000 8.230 8.230 -0.000 0.000 0.502