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 3l6o_1_P DATA FIRST_RESID 1 DATA SEQUENCE MAVKVAINGF GRIGRLAFRR IQEVEGLEVV AVNDLTDDDM LAHLLKYDTM DATA SEQUENCE QGRFTGEVEV VDGGFRVNGK EVKSFSEPDA SKLPWKDLNI DVVLECTGFY DATA SEQUENCE TDKDKAQAHI EAGAKKVLIS APATGDLKTI VFNTNHQELD GSETVVSGAS DATA SEQUENCE CTTNSLAPVA KVLNDDFGLV EGLMTTIHAY TGDQNTQDAP HRKGDKRRAR DATA SEQUENCE AAAENIIPNS TGAAKAIGKV IPEIDGKLDG GAQRVPVATG SLTELTVVLE DATA SEQUENCE KQDVTVEQVN EAMKNASNES FGYTEDEIVS SDVVGMTYGS LFDATQTRVM DATA SEQUENCE SVGDRQLVKV AAWYDNEMSY TAQLVRTLAY LAEL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 A N 2.635 125.434 122.820 -0.034 0.000 2.462 2 A HA 0.572 4.882 4.320 -0.016 0.000 0.243 2 A C 0.322 177.876 177.584 -0.049 0.000 1.076 2 A CA -0.107 51.904 52.037 -0.044 0.000 0.773 2 A CB 0.195 19.167 19.000 -0.047 0.000 1.010 2 A HN 0.368 8.518 8.150 -0.000 0.000 0.493 3 V N 3.290 123.170 119.914 -0.056 0.000 2.599 3 V HA 0.031 4.142 4.120 -0.016 0.000 0.300 3 V C 0.624 176.672 176.094 -0.076 0.000 1.034 3 V CA 0.551 62.812 62.300 -0.064 0.000 1.115 3 V CB 0.317 32.100 31.823 -0.067 0.000 0.934 3 V HN 0.809 8.999 8.190 -0.000 0.000 0.485 4 K N 4.110 124.462 120.400 -0.081 0.000 2.263 4 K HA 0.583 4.893 4.320 -0.016 0.000 0.272 4 K C -0.990 175.531 176.600 -0.132 0.000 1.033 4 K CA -0.436 55.795 56.287 -0.093 0.000 0.884 4 K CB 1.730 34.186 32.500 -0.074 0.000 1.107 4 K HN 0.475 8.725 8.250 -0.000 0.000 0.460 5 V N 2.233 122.062 119.914 -0.141 0.000 2.513 5 V HA 0.571 4.682 4.120 -0.016 0.000 0.299 5 V C -0.296 175.672 176.094 -0.211 0.000 1.035 5 V CA -0.899 61.297 62.300 -0.173 0.000 0.889 5 V CB 1.619 33.363 31.823 -0.131 0.000 0.988 5 V HN 0.863 9.053 8.190 -0.000 0.000 0.440 6 A N 5.563 128.174 122.820 -0.349 0.000 2.330 6 A HA 0.867 5.177 4.320 -0.016 0.000 0.327 6 A C -0.739 176.697 177.584 -0.246 0.000 1.155 6 A CA -0.555 51.230 52.037 -0.420 0.000 0.803 6 A CB 0.742 19.064 19.000 -1.131 0.000 1.208 6 A HN 0.767 8.917 8.150 -0.000 0.000 0.477 7 I N 2.384 122.943 120.570 -0.018 0.000 2.330 7 I HA 0.196 4.356 4.170 -0.016 0.000 0.289 7 I C -0.279 175.956 176.117 0.196 0.000 1.001 7 I CA -0.577 60.793 61.300 0.116 0.000 1.193 7 I CB 1.571 39.751 38.000 0.300 0.000 1.345 7 I HN 0.656 8.866 8.210 -0.000 0.000 0.461 8 N N 4.919 123.721 118.700 0.169 0.000 2.426 8 N HA 0.536 5.267 4.740 -0.016 0.000 0.257 8 N C -0.173 175.507 175.510 0.283 0.000 1.002 8 N CA 0.320 53.535 53.050 0.274 0.000 0.942 8 N CB 1.133 39.783 38.487 0.271 0.000 1.112 8 N HN 0.836 9.216 8.380 -0.000 0.000 0.499 9 G N 2.976 111.967 108.800 0.319 0.000 3.269 9 G HA2 -0.205 3.746 3.960 -0.016 0.000 0.668 9 G HA3 -0.205 3.746 3.960 -0.016 0.000 0.668 9 G C -0.613 174.499 174.900 0.353 0.000 1.100 9 G CA -0.760 44.527 45.100 0.312 0.000 0.940 9 G HN 0.500 8.790 8.290 -0.000 0.000 0.438 10 F N 3.611 123.640 119.950 0.131 0.000 2.980 10 F HA 0.489 5.005 4.527 -0.019 0.000 0.299 10 F C 1.391 177.231 175.800 0.066 0.000 1.211 10 F CA -0.072 57.980 58.000 0.088 0.000 1.328 10 F CB -0.038 38.993 39.000 0.053 0.000 1.154 10 F HN 0.646 8.946 8.300 -0.000 0.000 0.528 11 G N 0.630 109.478 108.800 0.079 0.000 2.546 11 G HA2 0.084 4.035 3.960 -0.016 0.000 0.239 11 G HA3 0.084 4.035 3.960 -0.016 0.000 0.239 11 G C 1.225 176.086 174.900 -0.066 0.000 1.476 11 G CA -0.329 44.782 45.100 0.018 0.000 1.064 11 G HN 0.123 8.413 8.290 -0.000 0.000 0.561 12 R N -0.815 119.676 120.500 -0.016 0.000 2.070 12 R HA -0.065 4.265 4.340 -0.016 0.000 0.233 12 R C 2.493 178.783 176.300 -0.017 0.000 1.137 12 R CA 0.882 56.967 56.100 -0.025 0.000 0.945 12 R CB -0.961 29.347 30.300 0.013 0.000 0.845 12 R HN 0.415 8.685 8.270 -0.000 0.000 0.430 13 I N 0.168 120.763 120.570 0.042 0.000 2.202 13 I HA -0.107 4.053 4.170 -0.016 0.000 0.242 13 I C 2.497 178.634 176.117 0.034 0.000 1.091 13 I CA 1.484 62.834 61.300 0.082 0.000 1.368 13 I CB -1.978 36.131 38.000 0.183 0.000 1.058 13 I HN 0.209 8.419 8.210 -0.000 0.000 0.410 14 G N 1.274 110.091 108.800 0.029 0.000 2.553 14 G HA2 -0.288 3.663 3.960 -0.016 0.000 0.218 14 G HA3 -0.288 3.663 3.960 -0.016 0.000 0.218 14 G C 1.904 176.716 174.900 -0.147 0.000 1.195 14 G CA 0.714 45.835 45.100 0.034 0.000 0.779 14 G HN 0.319 8.609 8.290 -0.000 0.000 0.577 15 R N -0.284 119.922 120.500 -0.490 0.000 2.081 15 R HA 0.090 4.421 4.340 -0.016 0.000 0.235 15 R C 2.732 178.915 176.300 -0.195 0.000 1.131 15 R CA 0.916 56.586 56.100 -0.717 0.000 0.960 15 R CB -0.506 29.351 30.300 -0.738 0.000 0.856 15 R HN 0.352 8.622 8.270 -0.000 0.000 0.436 16 L N 0.088 121.255 121.223 -0.095 0.000 2.056 16 L HA -0.114 4.217 4.340 -0.016 0.000 0.207 16 L C 2.689 179.586 176.870 0.045 0.000 1.078 16 L CA 1.117 55.958 54.840 0.002 0.000 0.749 16 L CB -0.646 41.419 42.059 0.009 0.000 0.901 16 L HN 0.227 8.457 8.230 -0.000 0.000 0.433 17 A N -0.122 122.722 122.820 0.041 0.000 1.940 17 A HA -0.276 4.035 4.320 -0.016 0.000 0.219 17 A C 2.178 179.819 177.584 0.095 0.000 1.176 17 A CA 1.448 53.512 52.037 0.045 0.000 0.631 17 A CB -0.828 18.193 19.000 0.035 0.000 0.814 17 A HN 0.395 8.545 8.150 -0.000 0.000 0.446 18 F N 0.461 120.437 119.950 0.044 0.000 2.095 18 F HA -0.210 4.310 4.527 -0.011 0.000 0.298 18 F C 2.539 178.411 175.800 0.121 0.000 1.104 18 F CA 2.008 60.077 58.000 0.116 0.000 1.232 18 F CB -0.127 39.015 39.000 0.237 0.000 0.987 18 F HN 0.109 8.409 8.300 -0.000 0.000 0.475 19 R N -0.119 120.602 120.500 0.369 0.000 2.091 19 R HA -0.159 4.172 4.340 -0.016 0.000 0.238 19 R C 2.347 178.744 176.300 0.162 0.000 1.136 19 R CA 1.464 57.781 56.100 0.361 0.000 0.959 19 R CB -0.375 30.098 30.300 0.289 0.000 0.856 19 R HN 0.259 8.529 8.270 -0.000 0.000 0.437 20 R N 0.523 121.063 120.500 0.067 0.000 2.092 20 R HA -0.036 4.295 4.340 -0.016 0.000 0.231 20 R C 2.276 178.549 176.300 -0.046 0.000 1.119 20 R CA 1.032 57.130 56.100 -0.005 0.000 0.970 20 R CB -0.416 29.864 30.300 -0.032 0.000 0.864 20 R HN 0.305 8.575 8.270 -0.000 0.000 0.440 21 I N 1.417 121.940 120.570 -0.079 0.000 2.361 21 I HA -0.243 3.918 4.170 -0.016 0.000 0.251 21 I C 2.117 178.151 176.117 -0.139 0.000 1.133 21 I CA 0.951 62.171 61.300 -0.135 0.000 1.413 21 I CB -0.239 37.645 38.000 -0.193 0.000 1.073 21 I HN 0.061 8.271 8.210 -0.000 0.000 0.424 22 Q N 0.846 120.579 119.800 -0.112 0.000 2.297 22 Q HA -0.212 4.118 4.340 -0.016 0.000 0.208 22 Q C 1.429 177.404 176.000 -0.041 0.000 0.981 22 Q CA 1.392 57.169 55.803 -0.043 0.000 0.876 22 Q CB -0.282 28.532 28.738 0.126 0.000 0.921 22 Q HN 0.649 8.919 8.270 -0.000 0.000 0.446 23 E N -0.491 119.679 120.200 -0.049 0.000 2.489 23 E HA 0.109 4.450 4.350 -0.016 0.000 0.204 23 E C -0.346 176.216 176.600 -0.063 0.000 1.006 23 E CA -0.090 56.276 56.400 -0.057 0.000 0.936 23 E CB 1.095 30.761 29.700 -0.057 0.000 1.002 23 E HN -0.065 8.295 8.360 -0.000 0.000 0.488 24 V N 2.732 122.602 119.914 -0.073 0.000 2.294 24 V HA 0.073 4.184 4.120 -0.016 0.000 0.272 24 V C 0.239 176.290 176.094 -0.071 0.000 1.027 24 V CA -0.626 61.628 62.300 -0.076 0.000 0.823 24 V CB 0.918 32.687 31.823 -0.091 0.000 1.030 24 V HN 0.153 8.343 8.190 -0.000 0.000 0.457 25 E N 3.104 123.269 120.200 -0.059 0.000 2.708 25 E HA 0.102 4.443 4.350 -0.016 0.000 0.260 25 E C 1.356 177.924 176.600 -0.053 0.000 0.937 25 E CA 1.337 57.706 56.400 -0.051 0.000 0.953 25 E CB 0.422 30.097 29.700 -0.041 0.000 0.915 25 E HN 1.065 9.425 8.360 -0.000 0.000 0.487 26 G N 3.503 112.271 108.800 -0.052 0.000 2.195 26 G HA2 -0.253 3.697 3.960 -0.016 0.000 0.246 26 G HA3 -0.253 3.697 3.960 -0.016 0.000 0.246 26 G C 0.077 174.941 174.900 -0.061 0.000 0.984 26 G CA 0.076 45.145 45.100 -0.051 0.000 0.633 26 G HN 0.468 8.758 8.290 -0.000 0.000 0.525 27 L N 1.196 122.374 121.223 -0.074 0.000 2.313 27 L HA 0.612 4.942 4.340 -0.016 0.000 0.283 27 L C -0.730 176.077 176.870 -0.106 0.000 1.013 27 L CA -0.748 54.038 54.840 -0.089 0.000 0.816 27 L CB 1.615 43.615 42.059 -0.098 0.000 1.236 27 L HN 0.043 8.273 8.230 -0.000 0.000 0.419 28 E N 3.453 123.589 120.200 -0.108 0.000 2.246 28 E HA 0.278 4.619 4.350 -0.016 0.000 0.266 28 E C -0.974 175.543 176.600 -0.138 0.000 0.880 28 E CA -0.671 55.653 56.400 -0.127 0.000 0.762 28 E CB 3.076 32.720 29.700 -0.093 0.000 1.180 28 E HN 0.160 8.520 8.360 -0.000 0.000 0.416 29 V N 3.377 123.174 119.914 -0.194 0.000 2.439 29 V HA 0.000 4.111 4.120 -0.016 0.000 0.271 29 V C 1.421 177.473 176.094 -0.069 0.000 1.040 29 V CA 0.050 62.268 62.300 -0.136 0.000 1.002 29 V CB 0.593 32.311 31.823 -0.175 0.000 1.000 29 V HN 0.626 8.816 8.190 -0.000 0.000 0.477 30 V N 2.031 121.914 119.914 -0.052 0.000 3.644 30 V HA 0.732 4.843 4.120 -0.016 0.000 0.267 30 V C 0.639 176.736 176.094 0.005 0.000 1.277 30 V CA 0.706 62.988 62.300 -0.030 0.000 1.096 30 V CB 0.144 31.956 31.823 -0.018 0.000 0.828 30 V HN 0.866 9.056 8.190 -0.000 0.000 0.446 31 A N -0.448 122.393 122.820 0.036 0.000 2.574 31 A HA 0.818 5.128 4.320 -0.016 0.000 0.297 31 A C -1.291 176.376 177.584 0.140 0.000 1.062 31 A CA -0.422 51.702 52.037 0.145 0.000 0.686 31 A CB 2.253 21.519 19.000 0.444 0.000 1.285 31 A HN 0.406 8.556 8.150 -0.000 0.000 0.403 32 V N 1.850 121.849 119.914 0.142 0.000 2.588 32 V HA 0.483 4.594 4.120 -0.016 0.000 0.304 32 V C -0.602 175.637 176.094 0.241 0.000 1.042 32 V CA -0.662 61.706 62.300 0.113 0.000 0.877 32 V CB 1.985 33.692 31.823 -0.194 0.000 0.996 32 V HN 0.922 9.112 8.190 -0.000 0.000 0.425 33 N N 3.396 122.295 118.700 0.331 0.000 2.392 33 N HA 0.556 5.287 4.740 -0.016 0.000 0.283 33 N C -1.487 174.173 175.510 0.250 0.000 1.003 33 N CA -0.274 52.972 53.050 0.327 0.000 0.892 33 N CB 1.326 40.056 38.487 0.405 0.000 1.193 33 N HN 0.808 9.188 8.380 -0.000 0.000 0.487 34 D N 2.886 123.400 120.400 0.190 0.000 2.706 34 D HA 0.171 4.801 4.640 -0.016 0.000 0.225 34 D C -1.155 175.227 176.300 0.136 0.000 1.241 34 D CA -0.413 53.697 54.000 0.183 0.000 0.784 34 D CB 1.214 42.130 40.800 0.193 0.000 1.521 34 D HN 0.371 8.741 8.370 -0.000 0.000 0.461 35 L N 2.393 123.695 121.223 0.132 0.000 2.727 35 L HA 0.311 4.642 4.340 -0.016 0.000 0.237 35 L C 0.718 177.634 176.870 0.077 0.000 1.370 35 L CA 0.339 55.235 54.840 0.093 0.000 1.248 35 L CB -0.084 42.024 42.059 0.083 0.000 1.556 35 L HN 0.276 8.506 8.230 -0.000 0.000 0.420 36 T N -1.510 113.085 114.554 0.068 0.000 2.802 36 T HA 0.275 4.616 4.350 -0.016 0.000 0.311 36 T C -1.454 173.264 174.700 0.029 0.000 1.405 36 T CA -0.870 61.260 62.100 0.050 0.000 1.016 36 T CB 1.321 70.227 68.868 0.063 0.000 1.352 36 T HN 0.456 8.696 8.240 -0.000 0.000 0.498 37 D N 1.641 122.050 120.400 0.015 0.000 2.358 37 D HA 0.141 4.771 4.640 -0.016 0.000 0.244 37 D C 0.064 176.354 176.300 -0.016 0.000 1.163 37 D CA -0.342 53.658 54.000 0.000 0.000 0.945 37 D CB 0.843 41.641 40.800 -0.003 0.000 1.152 37 D HN 0.456 8.826 8.370 -0.000 0.000 0.451 38 D N 0.150 120.537 120.400 -0.022 0.000 2.219 38 D HA -0.145 4.486 4.640 -0.016 0.000 0.205 38 D C 1.328 177.583 176.300 -0.075 0.000 0.970 38 D CA 0.924 54.898 54.000 -0.043 0.000 0.851 38 D CB -0.182 40.623 40.800 0.007 0.000 0.943 38 D HN 0.556 8.925 8.370 -0.000 0.000 0.488 39 D N -0.165 120.212 120.400 -0.039 0.000 2.117 39 D HA -0.148 4.482 4.640 -0.016 0.000 0.198 39 D C 1.951 178.237 176.300 -0.023 0.000 0.982 39 D CA 0.679 54.660 54.000 -0.032 0.000 0.828 39 D CB 0.022 40.808 40.800 -0.024 0.000 0.967 39 D HN -0.053 8.317 8.370 -0.000 0.000 0.464 40 M N -0.223 119.365 119.600 -0.021 0.000 2.117 40 M HA -0.023 4.447 4.480 -0.016 0.000 0.262 40 M C 1.803 178.108 176.300 0.009 0.000 1.065 40 M CA 1.391 56.699 55.300 0.013 0.000 1.114 40 M CB -0.334 32.276 32.600 0.017 0.000 1.361 40 M HN 0.118 8.408 8.290 -0.000 0.000 0.408 41 L N -0.639 120.538 121.223 -0.076 0.000 2.017 41 L HA -0.158 4.172 4.340 -0.016 0.000 0.208 41 L C 2.561 179.232 176.870 -0.331 0.000 1.073 41 L CA 1.261 56.010 54.840 -0.152 0.000 0.745 41 L CB -1.296 40.550 42.059 -0.355 0.000 0.894 41 L HN 0.421 8.651 8.230 -0.000 0.000 0.432 42 A N -0.536 122.000 122.820 -0.473 0.000 1.908 42 A HA -0.310 4.001 4.320 -0.016 0.000 0.218 42 A C 2.104 179.561 177.584 -0.211 0.000 1.181 42 A CA 2.104 53.856 52.037 -0.475 0.000 0.627 42 A CB -0.880 17.935 19.000 -0.308 0.000 0.818 42 A HN 0.524 8.674 8.150 -0.000 0.000 0.445 43 H N -0.173 118.817 119.070 -0.133 0.000 2.321 43 H HA 0.029 4.585 4.556 -0.000 0.000 0.300 43 H C 1.695 177.037 175.328 0.023 0.000 1.087 43 H CA 1.939 57.991 56.048 0.007 0.000 1.319 43 H CB -0.209 29.584 29.762 0.051 0.000 1.379 43 H HN 0.363 8.643 8.280 -0.000 0.000 0.501 44 L N -0.254 120.979 121.223 0.017 0.000 2.291 44 L HA -0.081 4.249 4.340 -0.016 0.000 0.214 44 L C 2.179 178.957 176.870 -0.154 0.000 1.120 44 L CA 0.382 55.198 54.840 -0.040 0.000 0.799 44 L CB -0.231 41.836 42.059 0.014 0.000 0.925 44 L HN 0.314 8.544 8.230 -0.000 0.000 0.446 45 L N 0.022 121.108 121.223 -0.228 0.000 2.095 45 L HA -0.127 4.204 4.340 -0.016 0.000 0.204 45 L C 2.416 179.082 176.870 -0.339 0.000 1.080 45 L CA 1.754 56.389 54.840 -0.343 0.000 0.759 45 L CB -0.448 41.317 42.059 -0.490 0.000 0.914 45 L HN 0.033 8.263 8.230 -0.000 0.000 0.439 46 K N -1.602 118.576 120.400 -0.371 0.000 2.025 46 K HA -0.088 4.222 4.320 -0.016 0.000 0.207 46 K C -0.369 175.899 176.600 -0.553 0.000 1.049 46 K CA 1.099 57.101 56.287 -0.474 0.000 0.933 46 K CB -0.042 32.079 32.500 -0.631 0.000 0.714 46 K HN 0.245 8.495 8.250 -0.000 0.000 0.438 47 Y N 0.073 120.241 120.300 -0.220 0.000 2.393 47 Y HA 0.329 4.869 4.550 -0.016 0.000 0.341 47 Y C -0.777 175.049 175.900 -0.124 0.000 0.988 47 Y CA -1.411 56.582 58.100 -0.180 0.000 1.078 47 Y CB 1.764 40.049 38.460 -0.292 0.000 1.203 47 Y HN -0.078 8.202 8.280 -0.000 0.000 0.453 48 D N 1.440 121.893 120.400 0.088 0.000 2.616 48 D HA 0.162 4.792 4.640 -0.016 0.000 0.238 48 D C 0.326 176.651 176.300 0.042 0.000 1.354 48 D CA -0.131 53.893 54.000 0.039 0.000 0.970 48 D CB 1.996 42.803 40.800 0.011 0.000 1.369 48 D HN 0.615 8.985 8.370 -0.000 0.000 0.585 49 T N 2.890 117.465 114.554 0.035 0.000 2.597 49 T HA -0.163 4.177 4.350 -0.016 0.000 0.267 49 T C 1.807 176.516 174.700 0.014 0.000 1.053 49 T CA 1.370 63.487 62.100 0.028 0.000 1.165 49 T CB 0.065 68.951 68.868 0.030 0.000 0.863 49 T HN 0.475 8.715 8.240 -0.000 0.000 0.427 50 M N 0.208 119.808 119.600 -0.001 0.000 2.486 50 M HA 0.195 4.666 4.480 -0.016 0.000 0.264 50 M C 1.853 178.145 176.300 -0.013 0.000 1.125 50 M CA 0.901 56.191 55.300 -0.016 0.000 1.144 50 M CB -0.499 32.078 32.600 -0.039 0.000 1.353 50 M HN 0.160 8.450 8.290 -0.000 0.000 0.466 51 Q N 0.248 120.046 119.800 -0.003 0.000 2.352 51 Q HA 0.380 4.711 4.340 -0.016 0.000 0.212 51 Q C 0.789 176.795 176.000 0.009 0.000 0.888 51 Q CA 0.575 56.378 55.803 0.000 0.000 0.934 51 Q CB 0.924 29.665 28.738 0.005 0.000 1.093 51 Q HN 0.548 8.818 8.270 -0.000 0.000 0.523 52 G N 1.469 110.281 108.800 0.019 0.000 2.663 52 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.686 52 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.686 52 G C -0.971 173.951 174.900 0.038 0.000 1.288 52 G CA -0.858 44.258 45.100 0.026 0.000 0.836 52 G HN 0.162 8.452 8.290 -0.000 0.000 0.584 53 R N -0.888 119.634 120.500 0.036 0.000 2.640 53 R HA 0.361 4.692 4.340 -0.016 0.000 0.270 53 R C 0.611 176.930 176.300 0.032 0.000 1.024 53 R CA -0.069 56.038 56.100 0.012 0.000 1.085 53 R CB 0.161 30.466 30.300 0.008 0.000 0.963 53 R HN 0.552 8.822 8.270 -0.000 0.000 0.426 54 F N 1.774 121.643 119.950 -0.134 0.000 2.471 54 F HA -0.009 4.510 4.527 -0.014 0.000 0.353 54 F C 1.618 177.373 175.800 -0.074 0.000 1.113 54 F CA 0.565 58.514 58.000 -0.085 0.000 1.262 54 F CB 1.209 40.155 39.000 -0.090 0.000 1.146 54 F HN 0.618 8.918 8.300 -0.000 0.000 0.578 55 T N 3.342 117.555 114.554 -0.569 0.000 2.732 55 T HA 0.111 4.452 4.350 -0.016 0.000 0.261 55 T C 1.181 175.725 174.700 -0.261 0.000 1.040 55 T CA 1.003 62.889 62.100 -0.355 0.000 1.145 55 T CB -0.971 67.703 68.868 -0.324 0.000 0.866 55 T HN 0.737 8.977 8.240 -0.000 0.000 0.427 56 G N 0.440 108.986 108.800 -0.424 0.000 2.683 56 G HA2 0.312 4.262 3.960 -0.016 0.000 0.260 56 G HA3 0.312 4.262 3.960 -0.016 0.000 0.260 56 G C -0.566 174.457 174.900 0.205 0.000 1.238 56 G CA -0.577 44.499 45.100 -0.041 0.000 0.934 56 G HN 0.586 8.876 8.290 -0.000 0.000 0.534 57 E N -1.361 118.951 120.200 0.186 0.000 2.283 57 E HA 0.394 4.735 4.350 -0.016 0.000 0.278 57 E C -0.891 175.824 176.600 0.192 0.000 1.027 57 E CA -0.328 56.164 56.400 0.154 0.000 0.843 57 E CB 1.388 31.145 29.700 0.096 0.000 1.062 57 E HN 0.066 8.426 8.360 -0.000 0.000 0.401 58 V N 4.670 124.654 119.914 0.117 0.000 2.444 58 V HA 0.263 4.373 4.120 -0.016 0.000 0.294 58 V C -0.557 175.571 176.094 0.056 0.000 1.022 58 V CA -0.654 61.688 62.300 0.070 0.000 0.850 58 V CB 1.516 33.298 31.823 -0.068 0.000 0.992 58 V HN 0.714 8.904 8.190 -0.000 0.000 0.426 59 E N 3.833 124.087 120.200 0.090 0.000 2.293 59 E HA 0.710 5.051 4.350 -0.016 0.000 0.270 59 E C -1.497 175.162 176.600 0.098 0.000 0.879 59 E CA -0.947 55.497 56.400 0.073 0.000 0.756 59 E CB 2.348 32.086 29.700 0.063 0.000 1.208 59 E HN 0.263 8.623 8.360 -0.000 0.000 0.428 60 V N 3.044 122.999 119.914 0.068 0.000 2.470 60 V HA 0.249 4.359 4.120 -0.016 0.000 0.276 60 V C 0.452 176.580 176.094 0.056 0.000 1.040 60 V CA -0.254 62.091 62.300 0.074 0.000 1.008 60 V CB 0.508 32.351 31.823 0.034 0.000 0.990 60 V HN 0.604 8.794 8.190 -0.000 0.000 0.477 61 V N 1.557 121.504 119.914 0.054 0.000 3.113 61 V HA 0.617 4.727 4.120 -0.016 0.000 0.316 61 V C 0.781 176.876 176.094 0.002 0.000 1.125 61 V CA -0.604 61.708 62.300 0.020 0.000 1.026 61 V CB 1.810 33.638 31.823 0.008 0.000 1.080 61 V HN 0.542 8.732 8.190 -0.000 0.000 0.444 62 D N 2.240 122.635 120.400 -0.008 0.000 2.123 62 D HA 0.004 4.635 4.640 -0.016 0.000 0.196 62 D C 1.857 178.136 176.300 -0.036 0.000 0.992 62 D CA 2.415 56.406 54.000 -0.015 0.000 0.833 62 D CB -0.291 40.502 40.800 -0.010 0.000 0.954 62 D HN 0.911 9.281 8.370 -0.000 0.000 0.455 63 G N -1.862 106.903 108.800 -0.057 0.000 3.141 63 G HA2 0.479 4.430 3.960 -0.016 0.000 0.218 63 G HA3 0.479 4.430 3.960 -0.016 0.000 0.218 63 G C 0.601 175.393 174.900 -0.180 0.000 1.170 63 G CA 0.444 45.480 45.100 -0.107 0.000 0.769 63 G HN 0.526 8.816 8.290 -0.000 0.000 0.546 64 G N -0.183 108.544 108.800 -0.122 0.000 2.552 64 G HA2 0.466 4.417 3.960 -0.016 0.000 0.137 64 G HA3 0.466 4.417 3.960 -0.016 0.000 0.137 64 G C -1.497 173.425 174.900 0.035 0.000 1.135 64 G CA -0.231 44.782 45.100 -0.145 0.000 1.047 64 G HN 0.721 9.011 8.290 -0.000 0.000 0.501 65 F N -0.510 119.368 119.950 -0.121 0.000 2.596 65 F HA 0.836 5.355 4.527 -0.013 0.000 0.311 65 F C -0.502 175.267 175.800 -0.052 0.000 1.116 65 F CA -1.419 56.524 58.000 -0.095 0.000 0.957 65 F CB 1.446 40.362 39.000 -0.139 0.000 1.250 65 F HN 0.419 8.719 8.300 -0.000 0.000 0.444 66 R N 2.288 122.851 120.500 0.105 0.000 2.265 66 R HA 0.692 5.023 4.340 -0.016 0.000 0.314 66 R C -1.314 175.082 176.300 0.160 0.000 1.053 66 R CA -0.842 55.300 56.100 0.070 0.000 0.931 66 R CB 1.873 32.206 30.300 0.056 0.000 1.024 66 R HN 0.631 8.901 8.270 -0.000 0.000 0.457 67 V N 3.363 123.380 119.914 0.172 0.000 2.487 67 V HA 0.135 4.246 4.120 -0.016 0.000 0.298 67 V C 0.358 176.582 176.094 0.217 0.000 1.028 67 V CA -0.968 61.489 62.300 0.262 0.000 0.860 67 V CB 1.560 33.634 31.823 0.419 0.000 0.991 67 V HN 0.934 9.124 8.190 -0.000 0.000 0.427 68 N N 3.657 122.490 118.700 0.221 0.000 2.696 68 N HA -0.273 4.457 4.740 -0.016 0.000 0.254 68 N C 1.212 176.776 175.510 0.090 0.000 0.988 68 N CA 0.816 53.953 53.050 0.144 0.000 0.775 68 N CB -0.599 37.973 38.487 0.141 0.000 0.933 68 N HN 1.384 9.764 8.380 -0.000 0.000 0.539 69 G N -1.164 107.684 108.800 0.080 0.000 2.241 69 G HA2 -0.353 3.597 3.960 -0.016 0.000 0.244 69 G HA3 -0.353 3.597 3.960 -0.016 0.000 0.244 69 G C 0.005 174.926 174.900 0.035 0.000 0.998 69 G CA 0.615 45.745 45.100 0.049 0.000 0.621 69 G HN 0.448 8.738 8.290 -0.000 0.000 0.519 70 K N 1.117 121.543 120.400 0.044 0.000 2.172 70 K HA 0.516 4.827 4.320 -0.016 0.000 0.276 70 K C 0.005 176.598 176.600 -0.012 0.000 1.013 70 K CA -0.488 55.809 56.287 0.016 0.000 0.913 70 K CB 1.773 34.285 32.500 0.020 0.000 1.055 70 K HN 0.303 8.553 8.250 -0.000 0.000 0.461 71 E N 2.286 122.459 120.200 -0.045 0.000 2.313 71 E HA 0.157 4.497 4.350 -0.016 0.000 0.276 71 E C -1.147 175.352 176.600 -0.169 0.000 1.031 71 E CA -0.540 55.799 56.400 -0.102 0.000 0.857 71 E CB 0.985 30.637 29.700 -0.080 0.000 1.040 71 E HN 0.207 8.567 8.360 -0.000 0.000 0.408 72 V N 5.339 125.043 119.914 -0.350 0.000 2.376 72 V HA 0.220 4.331 4.120 -0.016 0.000 0.287 72 V C -0.329 175.434 176.094 -0.552 0.000 1.015 72 V CA -0.878 61.125 62.300 -0.495 0.000 0.834 72 V CB 1.381 32.670 31.823 -0.890 0.000 1.001 72 V HN 0.645 8.835 8.190 -0.000 0.000 0.428 73 K N 2.862 123.062 120.400 -0.333 0.000 2.350 73 K HA 0.443 4.754 4.320 -0.016 0.000 0.279 73 K C 0.373 176.646 176.600 -0.546 0.000 1.027 73 K CA 0.111 56.143 56.287 -0.424 0.000 0.969 73 K CB 0.825 33.160 32.500 -0.276 0.000 0.954 73 K HN 0.849 9.099 8.250 -0.000 0.000 0.474 74 S N 2.637 117.932 115.700 -0.674 0.000 2.502 74 S HA 0.627 5.088 4.470 -0.016 0.000 0.304 74 S C -0.780 173.427 174.600 -0.655 0.000 1.097 74 S CA -0.925 57.005 58.200 -0.450 0.000 1.045 74 S CB 0.511 63.626 63.200 -0.142 0.000 1.019 74 S HN 0.352 8.662 8.310 -0.000 0.000 0.481 75 F N 0.835 120.818 119.950 0.054 0.000 2.594 75 F HA 0.676 5.194 4.527 -0.014 0.000 0.335 75 F C 1.028 176.847 175.800 0.032 0.000 1.058 75 F CA -1.068 56.949 58.000 0.027 0.000 0.981 75 F CB 2.334 41.332 39.000 -0.003 0.000 1.289 75 F HN 0.576 8.876 8.300 -0.000 0.000 0.490 76 S N 0.311 116.130 115.700 0.198 0.000 2.526 76 S HA 0.167 4.628 4.470 -0.016 0.000 0.220 76 S C -0.988 173.667 174.600 0.091 0.000 1.159 76 S CA -0.284 57.987 58.200 0.118 0.000 1.196 76 S CB -0.095 63.150 63.200 0.075 0.000 1.225 76 S HN 0.479 8.789 8.310 -0.000 0.000 0.432 77 E N 2.886 123.139 120.200 0.089 0.000 2.133 77 E HA 0.459 4.799 4.350 -0.016 0.000 0.274 77 E C -2.030 174.594 176.600 0.039 0.000 0.930 77 E CA -2.194 54.221 56.400 0.024 0.000 0.770 77 E CB 1.291 30.954 29.700 -0.062 0.000 1.104 77 E HN 0.073 8.433 8.360 -0.000 0.000 0.403 78 P HA 0.110 4.530 4.420 -0.000 0.000 0.238 78 P C -0.308 177.038 177.300 0.077 0.000 1.183 78 P CA 0.027 63.161 63.100 0.057 0.000 0.813 78 P CB 0.354 32.061 31.700 0.012 0.000 0.944 79 D N 0.487 120.904 120.400 0.029 0.000 2.325 79 D HA 0.280 4.911 4.640 -0.016 0.000 0.251 79 D C 1.175 177.469 176.300 -0.011 0.000 1.196 79 D CA -0.210 53.812 54.000 0.036 0.000 0.866 79 D CB 1.195 41.988 40.800 -0.011 0.000 1.101 79 D HN -0.071 8.299 8.370 -0.000 0.000 0.476 80 A N 3.054 125.882 122.820 0.013 0.000 2.121 80 A HA -0.126 4.184 4.320 -0.016 0.000 0.218 80 A C 2.020 179.451 177.584 -0.255 0.000 1.154 80 A CA 1.435 53.340 52.037 -0.221 0.000 0.679 80 A CB -0.441 18.138 19.000 -0.701 0.000 0.795 80 A HN 0.594 8.744 8.150 -0.000 0.000 0.458 81 S N -1.014 114.597 115.700 -0.148 0.000 2.515 81 S HA -0.022 4.439 4.470 -0.016 0.000 0.231 81 S C 1.381 175.878 174.600 -0.172 0.000 0.987 81 S CA 1.277 59.398 58.200 -0.132 0.000 0.936 81 S CB -0.100 63.062 63.200 -0.063 0.000 0.766 81 S HN 0.375 8.685 8.310 -0.000 0.000 0.528 82 K N 0.552 120.828 120.400 -0.207 0.000 2.374 82 K HA 0.459 4.770 4.320 -0.016 0.000 0.196 82 K C 0.026 176.403 176.600 -0.371 0.000 1.023 82 K CA -0.158 55.995 56.287 -0.224 0.000 1.103 82 K CB -0.060 32.346 32.500 -0.157 0.000 0.848 82 K HN 0.396 8.646 8.250 -0.000 0.000 0.528 83 L N 2.637 123.511 121.223 -0.581 0.000 2.456 83 L HA 0.124 4.454 4.340 -0.016 0.000 0.272 83 L C -1.690 174.617 176.870 -0.939 0.000 1.189 83 L CA -1.382 52.835 54.840 -1.038 0.000 0.846 83 L CB 0.491 41.469 42.059 -1.801 0.000 1.111 83 L HN -0.020 8.210 8.230 -0.000 0.000 0.475 84 P HA 0.004 4.424 4.420 -0.000 0.000 0.220 84 P C 0.392 177.624 177.300 -0.114 0.000 1.778 84 P CA 0.082 62.901 63.100 -0.467 0.000 0.912 84 P CB -0.299 31.102 31.700 -0.498 0.000 1.861 85 W N 0.961 122.172 121.300 -0.149 0.000 2.425 85 W HA -0.083 4.566 4.660 -0.017 0.000 0.277 85 W C 2.295 178.782 176.519 -0.054 0.000 1.231 85 W CA 0.044 57.340 57.345 -0.082 0.000 1.248 85 W CB -0.152 29.287 29.460 -0.036 0.000 1.117 85 W HN 0.146 8.326 8.180 -0.000 0.000 0.568 86 K N 0.833 121.331 120.400 0.163 0.000 2.057 86 K HA -0.184 4.126 4.320 -0.016 0.000 0.206 86 K C 1.266 177.903 176.600 0.062 0.000 1.050 86 K CA 1.980 58.319 56.287 0.087 0.000 0.935 86 K CB -0.435 32.090 32.500 0.042 0.000 0.715 86 K HN -0.062 8.188 8.250 -0.000 0.000 0.439 87 D N 0.859 121.285 120.400 0.044 0.000 2.264 87 D HA -0.063 4.567 4.640 -0.016 0.000 0.208 87 D C 1.684 178.023 176.300 0.065 0.000 0.966 87 D CA 0.860 54.883 54.000 0.038 0.000 0.864 87 D CB 0.189 40.998 40.800 0.016 0.000 0.933 87 D HN 0.304 8.674 8.370 -0.000 0.000 0.499 88 L N -0.156 121.127 121.223 0.100 0.000 2.640 88 L HA 0.104 4.435 4.340 -0.016 0.000 0.230 88 L C -0.204 176.708 176.870 0.070 0.000 1.123 88 L CA -0.131 54.776 54.840 0.113 0.000 0.900 88 L CB -0.037 42.139 42.059 0.195 0.000 1.146 88 L HN -0.135 8.095 8.230 -0.000 0.000 0.484 89 N N 0.824 119.559 118.700 0.059 0.000 2.738 89 N HA -0.167 4.564 4.740 -0.016 0.000 0.249 89 N C -0.385 175.121 175.510 -0.007 0.000 1.047 89 N CA 0.525 53.591 53.050 0.027 0.000 0.707 89 N CB -1.147 37.349 38.487 0.014 0.000 0.937 89 N HN 0.078 8.458 8.380 -0.000 0.000 0.545 90 I N 0.461 121.019 120.570 -0.019 0.000 2.587 90 I HA -0.017 4.144 4.170 -0.016 0.000 0.284 90 I C 1.528 177.576 176.117 -0.115 0.000 1.134 90 I CA 0.208 61.429 61.300 -0.132 0.000 1.410 90 I CB 0.488 38.284 38.000 -0.339 0.000 1.392 90 I HN 0.157 8.367 8.210 -0.000 0.000 0.545 91 D N 5.443 125.773 120.400 -0.117 0.000 2.110 91 D HA 0.012 4.643 4.640 -0.016 0.000 0.202 91 D C 0.429 176.661 176.300 -0.113 0.000 0.975 91 D CA 1.381 55.326 54.000 -0.092 0.000 0.839 91 D CB 0.448 41.202 40.800 -0.077 0.000 0.996 91 D HN 0.285 8.655 8.370 -0.000 0.000 0.464 92 V N 1.285 121.106 119.914 -0.156 0.000 2.709 92 V HA 0.309 4.420 4.120 -0.016 0.000 0.308 92 V C -0.084 175.849 176.094 -0.269 0.000 1.062 92 V CA -0.930 61.271 62.300 -0.165 0.000 0.901 92 V CB 2.730 34.487 31.823 -0.109 0.000 1.003 92 V HN -0.230 7.960 8.190 -0.000 0.000 0.425 93 V N 5.277 125.003 119.914 -0.314 0.000 2.407 93 V HA 0.383 4.494 4.120 -0.016 0.000 0.278 93 V C 0.019 175.963 176.094 -0.250 0.000 1.037 93 V CA -0.436 61.608 62.300 -0.426 0.000 0.900 93 V CB 1.551 32.969 31.823 -0.675 0.000 0.983 93 V HN 0.652 8.842 8.190 -0.000 0.000 0.459 94 L N 4.249 125.365 121.223 -0.178 0.000 2.283 94 L HA 0.359 4.689 4.340 -0.016 0.000 0.287 94 L C 0.349 177.198 176.870 -0.035 0.000 1.073 94 L CA -0.285 54.513 54.840 -0.069 0.000 0.822 94 L CB 0.941 42.989 42.059 -0.018 0.000 1.186 94 L HN 0.650 8.880 8.230 -0.000 0.000 0.436 95 E N 3.044 123.245 120.200 0.002 0.000 1.963 95 E HA 0.146 4.486 4.350 -0.016 0.000 0.274 95 E C -0.331 176.363 176.600 0.156 0.000 1.061 95 E CA -0.317 56.134 56.400 0.085 0.000 0.847 95 E CB 0.322 30.105 29.700 0.138 0.000 1.083 95 E HN 0.552 8.912 8.360 -0.000 0.000 0.402 96 C N 2.847 122.253 119.300 0.175 0.000 2.994 96 C HA 0.143 4.594 4.460 -0.016 0.000 0.284 96 C C 1.817 176.917 174.990 0.184 0.000 1.404 96 C CA 0.270 59.393 59.018 0.175 0.000 1.775 96 C CB -1.269 26.567 27.740 0.160 0.000 2.458 96 C HN 0.806 9.036 8.230 -0.000 0.000 0.593 97 T N -2.084 112.617 114.554 0.245 0.000 2.942 97 T HA 0.245 4.585 4.350 -0.016 0.000 0.265 97 T C 1.860 176.567 174.700 0.011 0.000 1.062 97 T CA 1.739 63.998 62.100 0.265 0.000 1.139 97 T CB -0.225 68.965 68.868 0.536 0.000 0.883 97 T HN 1.025 9.265 8.240 -0.000 0.000 0.468 98 G N 0.512 109.313 108.800 0.001 0.000 2.195 98 G HA2 -0.211 3.739 3.960 -0.016 0.000 0.246 98 G HA3 -0.211 3.739 3.960 -0.016 0.000 0.246 98 G C 0.430 175.145 174.900 -0.309 0.000 0.984 98 G CA 0.177 45.148 45.100 -0.214 0.000 0.633 98 G HN 0.539 8.829 8.290 -0.000 0.000 0.525 99 F N -0.302 119.738 119.950 0.148 0.000 2.695 99 F HA 0.494 5.011 4.527 -0.017 0.000 0.303 99 F C 1.091 176.745 175.800 -0.242 0.000 1.091 99 F CA -0.269 57.709 58.000 -0.036 0.000 1.300 99 F CB 0.328 39.268 39.000 -0.100 0.000 1.071 99 F HN 0.236 8.536 8.300 -0.000 0.000 0.578 100 Y N -0.728 119.702 120.300 0.218 0.000 2.672 100 Y HA 0.141 4.681 4.550 -0.017 0.000 0.272 100 Y C 1.051 177.032 175.900 0.135 0.000 1.055 100 Y CA -0.782 57.421 58.100 0.172 0.000 1.151 100 Y CB -0.053 38.525 38.460 0.197 0.000 1.190 100 Y HN -0.092 8.188 8.280 -0.000 0.000 0.574 101 T N -2.317 112.349 114.554 0.187 0.000 4.099 101 T HA 0.309 4.650 4.350 -0.016 0.000 0.223 101 T C -0.495 174.273 174.700 0.114 0.000 0.968 101 T CA -0.068 62.116 62.100 0.141 0.000 0.966 101 T CB -0.391 68.530 68.868 0.089 0.000 1.328 101 T HN 0.344 8.584 8.240 -0.000 0.000 0.783 102 D N -0.343 120.138 120.400 0.135 0.000 2.706 102 D HA 0.253 4.884 4.640 -0.016 0.000 0.225 102 D C 0.723 177.096 176.300 0.120 0.000 1.241 102 D CA -0.766 53.298 54.000 0.106 0.000 0.784 102 D CB 1.569 42.418 40.800 0.082 0.000 1.521 102 D HN 0.025 8.395 8.370 -0.000 0.000 0.461 103 K N 1.650 122.108 120.400 0.097 0.000 2.032 103 K HA -0.150 4.161 4.320 -0.016 0.000 0.209 103 K C 0.834 177.494 176.600 0.100 0.000 1.048 103 K CA 2.099 58.444 56.287 0.097 0.000 0.927 103 K CB -0.110 32.435 32.500 0.075 0.000 0.712 103 K HN 0.426 8.676 8.250 -0.000 0.000 0.441 104 D N 0.207 120.658 120.400 0.086 0.000 2.149 104 D HA -0.103 4.527 4.640 -0.016 0.000 0.201 104 D C 1.727 178.086 176.300 0.098 0.000 0.972 104 D CA 0.935 54.982 54.000 0.078 0.000 0.835 104 D CB -0.042 40.792 40.800 0.057 0.000 0.966 104 D HN 0.305 8.675 8.370 -0.000 0.000 0.476 105 K N 0.662 121.133 120.400 0.117 0.000 2.026 105 K HA -0.075 4.236 4.320 -0.016 0.000 0.208 105 K C 2.002 178.773 176.600 0.285 0.000 1.048 105 K CA 1.185 57.574 56.287 0.168 0.000 0.929 105 K CB -0.027 32.553 32.500 0.133 0.000 0.713 105 K HN -0.010 8.240 8.250 -0.000 0.000 0.439 106 A N 0.541 123.518 122.820 0.263 0.000 2.070 106 A HA -0.191 4.119 4.320 -0.016 0.000 0.220 106 A C 1.865 179.547 177.584 0.165 0.000 1.159 106 A CA 1.297 53.482 52.037 0.247 0.000 0.656 106 A CB -0.363 18.783 19.000 0.243 0.000 0.800 106 A HN 0.377 8.527 8.150 -0.000 0.000 0.453 107 Q N -0.523 119.355 119.800 0.130 0.000 2.500 107 Q HA 0.085 4.416 4.340 -0.016 0.000 0.213 107 Q C 1.881 177.926 176.000 0.075 0.000 0.974 107 Q CA 0.967 56.831 55.803 0.103 0.000 0.918 107 Q CB -0.473 28.314 28.738 0.082 0.000 0.980 107 Q HN 0.646 8.916 8.270 -0.000 0.000 0.505 108 A N -0.150 122.690 122.820 0.033 0.000 1.908 108 A HA -0.244 4.067 4.320 -0.016 0.000 0.218 108 A C 1.561 179.108 177.584 -0.061 0.000 1.181 108 A CA 1.689 53.701 52.037 -0.042 0.000 0.627 108 A CB -0.796 18.164 19.000 -0.067 0.000 0.818 108 A HN 0.511 8.661 8.150 -0.000 0.000 0.445 109 H N -0.433 118.693 119.070 0.094 0.000 2.421 109 H HA -0.065 4.481 4.556 -0.016 0.000 0.298 109 H C 2.037 177.493 175.328 0.213 0.000 1.087 109 H CA 1.500 57.682 56.048 0.224 0.000 1.330 109 H CB -0.178 29.711 29.762 0.212 0.000 1.388 109 H HN 0.405 8.685 8.280 -0.000 0.000 0.526 110 I N 0.850 121.554 120.570 0.224 0.000 2.277 110 I HA -0.133 4.027 4.170 -0.016 0.000 0.243 110 I C 2.131 178.315 176.117 0.111 0.000 1.094 110 I CA 0.691 62.081 61.300 0.151 0.000 1.393 110 I CB -0.865 37.200 38.000 0.109 0.000 1.078 110 I HN 0.217 8.427 8.210 -0.000 0.000 0.417 111 E N 1.548 121.796 120.200 0.080 0.000 2.097 111 E HA -0.221 4.119 4.350 -0.016 0.000 0.196 111 E C 2.244 178.867 176.600 0.039 0.000 1.000 111 E CA 1.594 58.022 56.400 0.046 0.000 0.804 111 E CB -0.193 29.520 29.700 0.021 0.000 0.740 111 E HN 0.483 8.843 8.360 -0.000 0.000 0.454 112 A N 0.009 122.858 122.820 0.049 0.000 2.070 112 A HA 0.036 4.346 4.320 -0.016 0.000 0.220 112 A C 1.908 179.555 177.584 0.105 0.000 1.159 112 A CA 1.474 53.516 52.037 0.008 0.000 0.656 112 A CB -0.229 18.695 19.000 -0.126 0.000 0.800 112 A HN 0.426 8.576 8.150 -0.000 0.000 0.453 113 G N -3.106 105.800 108.800 0.178 0.000 2.227 113 G HA2 0.249 4.200 3.960 -0.016 0.000 0.168 113 G HA3 0.249 4.200 3.960 -0.016 0.000 0.168 113 G C 0.344 175.348 174.900 0.173 0.000 1.006 113 G CA 0.096 45.291 45.100 0.159 0.000 0.684 113 G HN 1.399 9.689 8.290 -0.000 0.000 0.489 114 A N 0.157 123.113 122.820 0.227 0.000 2.386 114 A HA 0.708 5.019 4.320 -0.016 0.000 0.248 114 A C 1.238 178.848 177.584 0.044 0.000 1.082 114 A CA 1.162 53.238 52.037 0.064 0.000 0.789 114 A CB 0.443 19.416 19.000 -0.044 0.000 1.025 114 A HN 0.296 8.446 8.150 -0.000 0.000 0.490 115 K N 0.023 120.420 120.400 -0.005 0.000 2.137 115 K HA 0.035 4.345 4.320 -0.016 0.000 0.202 115 K C 0.134 176.738 176.600 0.006 0.000 1.052 115 K CA 1.266 57.554 56.287 0.003 0.000 0.961 115 K CB 0.034 32.526 32.500 -0.013 0.000 0.741 115 K HN 0.693 8.943 8.250 -0.000 0.000 0.452 116 K N -0.419 119.972 120.400 -0.014 0.000 2.533 116 K HA 0.472 4.782 4.320 -0.016 0.000 0.272 116 K C -1.592 174.995 176.600 -0.022 0.000 0.985 116 K CA -0.896 55.389 56.287 -0.002 0.000 0.876 116 K CB 2.988 35.485 32.500 -0.005 0.000 1.452 116 K HN -0.323 7.927 8.250 -0.000 0.000 0.439 117 V N 2.028 121.947 119.914 0.009 0.000 2.623 117 V HA 0.330 4.441 4.120 -0.016 0.000 0.304 117 V C -1.471 174.638 176.094 0.025 0.000 1.054 117 V CA -0.852 61.448 62.300 -0.001 0.000 0.882 117 V CB 1.714 33.585 31.823 0.080 0.000 1.002 117 V HN 0.546 8.736 8.190 -0.000 0.000 0.424 118 L N 6.559 127.783 121.223 0.002 0.000 2.280 118 L HA 0.647 4.977 4.340 -0.016 0.000 0.287 118 L C -0.414 176.488 176.870 0.053 0.000 1.023 118 L CA 0.134 54.993 54.840 0.032 0.000 0.819 118 L CB 1.025 43.092 42.059 0.013 0.000 1.212 118 L HN 0.551 8.781 8.230 -0.000 0.000 0.420 119 I N 3.934 124.561 120.570 0.094 0.000 2.371 119 I HA 0.188 4.349 4.170 -0.016 0.000 0.290 119 I C 0.743 176.950 176.117 0.150 0.000 1.028 119 I CA -0.121 61.257 61.300 0.129 0.000 1.345 119 I CB 1.338 39.427 38.000 0.148 0.000 1.407 119 I HN 0.784 8.994 8.210 -0.000 0.000 0.501 120 S N 5.205 121.009 115.700 0.174 0.000 3.149 120 S HA 0.700 5.160 4.470 -0.016 0.000 0.228 120 S C -0.039 174.743 174.600 0.302 0.000 1.393 120 S CA -0.405 57.956 58.200 0.268 0.000 1.224 120 S CB -0.211 63.141 63.200 0.254 0.000 1.112 120 S HN 0.779 9.089 8.310 -0.000 0.000 0.502 121 A N 1.091 124.047 122.820 0.226 0.000 2.567 121 A HA 0.757 5.068 4.320 -0.016 0.000 0.291 121 A C -3.307 174.346 177.584 0.115 0.000 1.048 121 A CA -1.506 50.609 52.037 0.130 0.000 0.661 121 A CB 0.087 19.133 19.000 0.077 0.000 1.288 121 A HN 0.317 8.467 8.150 -0.000 0.000 0.424 122 P HA 0.438 4.858 4.420 -0.000 0.000 0.268 122 P C -0.399 176.943 177.300 0.069 0.000 1.208 122 P CA 0.465 63.605 63.100 0.066 0.000 0.777 122 P CB 0.804 32.527 31.700 0.038 0.000 0.875 123 A N 1.022 123.884 122.820 0.071 0.000 2.549 123 A HA 0.662 4.973 4.320 -0.016 0.000 0.297 123 A C -0.162 177.459 177.584 0.062 0.000 1.061 123 A CA -0.460 51.622 52.037 0.074 0.000 0.690 123 A CB 0.834 19.891 19.000 0.095 0.000 1.287 123 A HN 0.540 8.690 8.150 -0.000 0.000 0.402 124 T N -0.393 114.197 114.554 0.058 0.000 2.849 124 T HA 0.756 5.097 4.350 -0.016 0.000 0.284 124 T C 0.722 175.454 174.700 0.054 0.000 1.004 124 T CA 0.382 62.512 62.100 0.049 0.000 1.021 124 T CB 1.205 70.099 68.868 0.043 0.000 1.013 124 T HN 2.673 10.913 8.240 -0.000 0.000 0.527 125 G N 0.788 109.616 108.800 0.046 0.000 2.498 125 G HA2 0.016 3.967 3.960 -0.016 0.000 0.651 125 G HA3 0.016 3.967 3.960 -0.016 0.000 0.651 125 G C -0.896 174.030 174.900 0.044 0.000 1.284 125 G CA -0.323 44.805 45.100 0.046 0.000 0.950 125 G HN 0.997 9.287 8.290 -0.000 0.000 0.511 126 D N 0.591 121.017 120.400 0.043 0.000 2.551 126 D HA 0.473 5.103 4.640 -0.016 0.000 0.223 126 D C 0.257 176.584 176.300 0.044 0.000 1.144 126 D CA 0.072 54.096 54.000 0.039 0.000 1.025 126 D CB -0.743 40.078 40.800 0.035 0.000 1.085 126 D HN 0.978 9.348 8.370 -0.000 0.000 0.506 127 L N -0.676 120.575 121.223 0.047 0.000 2.469 127 L HA 0.619 4.949 4.340 -0.016 0.000 0.256 127 L C -0.493 176.406 176.870 0.049 0.000 1.006 127 L CA -1.180 53.692 54.840 0.052 0.000 0.832 127 L CB 0.941 43.039 42.059 0.064 0.000 1.421 127 L HN -0.236 7.994 8.230 -0.000 0.000 0.410 128 K N 0.231 120.662 120.400 0.052 0.000 2.249 128 K HA 0.626 4.936 4.320 -0.016 0.000 0.280 128 K C -0.661 175.973 176.600 0.058 0.000 1.033 128 K CA -0.363 55.953 56.287 0.049 0.000 0.946 128 K CB 0.995 33.525 32.500 0.050 0.000 1.005 128 K HN 0.721 8.971 8.250 -0.000 0.000 0.469 129 T N 3.779 118.363 114.554 0.051 0.000 2.758 129 T HA 0.388 4.729 4.350 -0.016 0.000 0.285 129 T C -0.346 174.387 174.700 0.056 0.000 0.981 129 T CA -0.626 61.510 62.100 0.060 0.000 0.965 129 T CB 0.430 69.330 68.868 0.053 0.000 0.927 129 T HN 0.249 8.489 8.240 -0.000 0.000 0.448 130 I N 4.001 124.617 120.570 0.077 0.000 2.418 130 I HA 0.375 4.536 4.170 -0.016 0.000 0.287 130 I C -0.289 175.885 176.117 0.096 0.000 1.008 130 I CA -1.008 60.339 61.300 0.079 0.000 1.104 130 I CB 1.668 39.731 38.000 0.106 0.000 1.264 130 I HN 0.311 8.521 8.210 -0.000 0.000 0.438 131 V N 7.096 127.053 119.914 0.072 0.000 2.328 131 V HA 0.271 4.382 4.120 -0.016 0.000 0.278 131 V C 0.063 176.219 176.094 0.104 0.000 1.021 131 V CA -0.779 61.575 62.300 0.090 0.000 0.838 131 V CB 1.244 33.094 31.823 0.044 0.000 0.999 131 V HN 0.489 8.679 8.190 -0.000 0.000 0.447 132 F N 4.969 124.928 119.950 0.016 0.000 2.629 132 F HA 0.059 4.577 4.527 -0.015 0.000 0.377 132 F C 1.412 177.255 175.800 0.072 0.000 1.101 132 F CA 1.460 59.458 58.000 -0.004 0.000 1.301 132 F CB -0.131 38.789 39.000 -0.132 0.000 1.062 132 F HN 0.822 9.122 8.300 -0.000 0.000 0.583 133 N N 1.542 120.092 118.700 -0.250 0.000 2.965 133 N HA -0.240 4.491 4.740 -0.016 0.000 0.232 133 N C 0.554 176.016 175.510 -0.081 0.000 0.913 133 N CA 1.083 54.082 53.050 -0.084 0.000 0.981 133 N CB -0.823 37.728 38.487 0.107 0.000 1.077 133 N HN 0.697 9.077 8.380 -0.000 0.000 0.589 134 T N -0.872 113.623 114.554 -0.097 0.000 3.114 134 T HA 0.081 4.421 4.350 -0.016 0.000 0.240 134 T C 1.015 175.613 174.700 -0.170 0.000 0.983 134 T CA 0.943 62.970 62.100 -0.122 0.000 1.151 134 T CB 0.118 68.930 68.868 -0.093 0.000 0.974 134 T HN 0.441 8.681 8.240 -0.000 0.000 0.442 135 N N 1.234 119.835 118.700 -0.166 0.000 2.307 135 N HA -0.017 4.713 4.740 -0.016 0.000 0.248 135 N C 0.984 176.365 175.510 -0.216 0.000 1.322 135 N CA -0.166 52.772 53.050 -0.187 0.000 0.861 135 N CB -0.710 37.719 38.487 -0.097 0.000 1.303 135 N HN 0.574 8.954 8.380 -0.000 0.000 0.498 136 H N 0.041 118.920 119.070 -0.318 0.000 2.489 136 H HA 0.021 4.568 4.556 -0.015 0.000 0.293 136 H C 0.544 175.688 175.328 -0.308 0.000 1.066 136 H CA 0.826 56.652 56.048 -0.370 0.000 1.305 136 H CB 0.034 29.352 29.762 -0.740 0.000 1.386 136 H HN 0.293 8.573 8.280 -0.000 0.000 0.551 137 Q N 0.636 120.008 119.800 -0.714 0.000 2.488 137 Q HA -0.040 4.291 4.340 -0.016 0.000 0.211 137 Q C 1.500 177.435 176.000 -0.109 0.000 0.967 137 Q CA 0.346 55.934 55.803 -0.359 0.000 0.926 137 Q CB 0.174 28.664 28.738 -0.414 0.000 0.992 137 Q HN 0.682 8.952 8.270 -0.000 0.000 0.506 138 E N 0.293 120.435 120.200 -0.097 0.000 2.338 138 E HA -0.062 4.278 4.350 -0.016 0.000 0.197 138 E C -0.134 176.489 176.600 0.039 0.000 1.007 138 E CA 0.218 56.602 56.400 -0.026 0.000 0.849 138 E CB 0.166 29.849 29.700 -0.029 0.000 0.774 138 E HN 0.312 8.672 8.360 -0.000 0.000 0.506 139 L N 2.034 123.319 121.223 0.104 0.000 2.313 139 L HA 0.030 4.361 4.340 -0.016 0.000 0.282 139 L C 0.522 177.476 176.870 0.140 0.000 1.092 139 L CA -0.357 54.577 54.840 0.157 0.000 0.831 139 L CB 0.637 42.858 42.059 0.270 0.000 1.159 139 L HN 0.055 8.285 8.230 -0.000 0.000 0.442 140 D N 0.454 120.901 120.400 0.078 0.000 2.398 140 D HA 0.154 4.785 4.640 -0.016 0.000 0.210 140 D C 1.206 177.520 176.300 0.023 0.000 1.094 140 D CA 0.422 54.450 54.000 0.046 0.000 0.839 140 D CB 0.858 41.676 40.800 0.031 0.000 0.963 140 D HN 0.634 9.004 8.370 -0.000 0.000 0.506 141 G N 0.304 109.120 108.800 0.028 0.000 2.176 141 G HA2 -0.324 3.627 3.960 -0.016 0.000 0.232 141 G HA3 -0.324 3.627 3.960 -0.016 0.000 0.232 141 G C 1.098 176.004 174.900 0.010 0.000 0.986 141 G CA 0.530 45.632 45.100 0.005 0.000 0.643 141 G HN 0.723 9.013 8.290 -0.000 0.000 0.522 142 S N -0.303 115.409 115.700 0.019 0.000 2.575 142 S HA 0.388 4.849 4.470 -0.016 0.000 0.215 142 S C 0.512 175.128 174.600 0.026 0.000 0.966 142 S CA 0.713 58.925 58.200 0.019 0.000 0.911 142 S CB 0.389 63.600 63.200 0.019 0.000 0.780 142 S HN 0.477 8.787 8.310 -0.000 0.000 0.514 143 E N 2.062 122.282 120.200 0.034 0.000 2.338 143 E HA 0.317 4.658 4.350 -0.016 0.000 0.272 143 E C 1.180 177.804 176.600 0.040 0.000 1.029 143 E CA 0.381 56.806 56.400 0.042 0.000 0.872 143 E CB 1.197 30.930 29.700 0.055 0.000 1.015 143 E HN 0.454 8.814 8.360 -0.000 0.000 0.417 144 T N -1.512 113.069 114.554 0.045 0.000 3.018 144 T HA 0.184 4.525 4.350 -0.016 0.000 0.246 144 T C 0.512 175.247 174.700 0.058 0.000 1.026 144 T CA -0.155 61.973 62.100 0.047 0.000 1.081 144 T CB 0.354 69.252 68.868 0.050 0.000 0.970 144 T HN 0.157 8.397 8.240 -0.000 0.000 0.475 145 V N 2.044 121.998 119.914 0.066 0.000 2.531 145 V HA 0.702 4.812 4.120 -0.016 0.000 0.301 145 V C -0.973 175.166 176.094 0.076 0.000 1.034 145 V CA -0.847 61.500 62.300 0.079 0.000 0.865 145 V CB 2.003 33.882 31.823 0.093 0.000 0.995 145 V HN 0.280 8.470 8.190 -0.000 0.000 0.424 146 V N 2.823 122.784 119.914 0.080 0.000 2.789 146 V HA 0.587 4.698 4.120 -0.016 0.000 0.311 146 V C -0.063 176.085 176.094 0.091 0.000 1.073 146 V CA -0.566 61.784 62.300 0.082 0.000 0.921 146 V CB 2.367 34.240 31.823 0.083 0.000 1.009 146 V HN 0.847 9.037 8.190 -0.000 0.000 0.426 147 S N 2.147 117.903 115.700 0.093 0.000 2.508 147 S HA 0.520 4.981 4.470 -0.016 0.000 0.284 147 S C 1.052 175.721 174.600 0.115 0.000 1.192 147 S CA 0.192 58.456 58.200 0.107 0.000 1.070 147 S CB 1.334 64.595 63.200 0.102 0.000 1.004 147 S HN 1.135 9.445 8.310 -0.000 0.000 0.493 148 G N 2.752 111.634 108.800 0.138 0.000 3.181 148 G HA2 0.488 4.438 3.960 -0.016 0.000 0.219 148 G HA3 0.488 4.438 3.960 -0.016 0.000 0.219 148 G C 0.792 175.839 174.900 0.245 0.000 1.182 148 G CA 0.378 45.567 45.100 0.149 0.000 0.791 148 G HN 1.588 9.878 8.290 -0.000 0.000 0.537 149 A N -0.518 122.423 122.820 0.202 0.000 6.226 149 A HA 0.081 4.391 4.320 -0.016 0.000 0.254 149 A C 0.872 178.578 177.584 0.203 0.000 2.160 149 A CA 0.868 53.010 52.037 0.174 0.000 0.705 149 A CB -1.601 17.485 19.000 0.143 0.000 1.036 149 A HN 1.998 10.148 8.150 -0.000 0.000 0.366 150 S N -1.796 113.949 115.700 0.074 0.000 2.739 150 S HA 0.562 5.022 4.470 -0.016 0.000 0.306 150 S C 1.466 175.921 174.600 -0.241 0.000 1.115 150 S CA 0.324 58.415 58.200 -0.180 0.000 0.985 150 S CB 0.927 64.056 63.200 -0.118 0.000 1.133 150 S HN 2.418 10.728 8.310 -0.000 0.000 0.541 151 C N 0.015 119.029 119.300 -0.476 0.000 2.413 151 C HA -0.019 4.431 4.460 -0.016 0.000 0.277 151 C C 2.573 177.517 174.990 -0.076 0.000 1.228 151 C CA 1.479 60.439 59.018 -0.096 0.000 1.731 151 C CB -2.320 25.465 27.740 0.075 0.000 2.042 151 C HN 0.899 9.129 8.230 -0.000 0.000 0.468 152 T N 1.502 116.024 114.554 -0.053 0.000 2.708 152 T HA -0.131 4.210 4.350 -0.016 0.000 0.266 152 T C 1.880 176.440 174.700 -0.233 0.000 1.037 152 T CA 2.514 64.474 62.100 -0.234 0.000 1.146 152 T CB -0.834 68.068 68.868 0.057 0.000 0.865 152 T HN 0.730 8.970 8.240 -0.000 0.000 0.435 153 T N 2.660 117.156 114.554 -0.097 0.000 2.685 153 T HA -0.163 4.177 4.350 -0.016 0.000 0.268 153 T C 1.907 176.568 174.700 -0.065 0.000 1.034 153 T CA 1.138 63.203 62.100 -0.058 0.000 1.149 153 T CB -0.430 68.436 68.868 -0.004 0.000 0.860 153 T HN 0.429 8.669 8.240 -0.000 0.000 0.449 154 N N 1.023 119.703 118.700 -0.033 0.000 2.244 154 N HA -0.086 4.645 4.740 -0.016 0.000 0.183 154 N C 2.225 177.679 175.510 -0.095 0.000 1.016 154 N CA 1.531 54.584 53.050 0.005 0.000 0.866 154 N CB -0.165 38.418 38.487 0.160 0.000 0.980 154 N HN 0.565 8.945 8.380 -0.000 0.000 0.430 155 S N 0.458 115.978 115.700 -0.300 0.000 2.436 155 S HA -0.027 4.434 4.470 -0.016 0.000 0.228 155 S C 1.919 176.406 174.600 -0.190 0.000 1.014 155 S CA 0.231 58.228 58.200 -0.338 0.000 0.950 155 S CB -0.156 62.481 63.200 -0.938 0.000 0.784 155 S HN 0.167 8.477 8.310 -0.000 0.000 0.504 156 L N 1.820 122.931 121.223 -0.187 0.000 2.145 156 L HA 0.461 4.791 4.340 -0.016 0.000 0.201 156 L C 2.645 179.442 176.870 -0.123 0.000 1.075 156 L CA 1.418 56.186 54.840 -0.119 0.000 0.773 156 L CB -1.280 40.721 42.059 -0.097 0.000 0.936 156 L HN 0.277 8.507 8.230 -0.000 0.000 0.451 157 A N 1.174 123.919 122.820 -0.126 0.000 1.873 157 A HA -0.142 4.169 4.320 -0.016 0.000 0.218 157 A C -0.056 177.405 177.584 -0.204 0.000 1.193 157 A CA 2.270 54.231 52.037 -0.126 0.000 0.629 157 A CB -2.310 16.637 19.000 -0.090 0.000 0.826 157 A HN 0.516 8.666 8.150 -0.000 0.000 0.447 158 P HA -0.050 4.370 4.420 -0.000 0.000 0.221 158 P C 1.577 178.498 177.300 -0.631 0.000 1.150 158 P CA 1.312 64.065 63.100 -0.578 0.000 0.800 158 P CB -0.208 30.891 31.700 -1.002 0.000 0.787 159 V N 1.272 120.902 119.914 -0.473 0.000 2.270 159 V HA -0.199 3.912 4.120 -0.016 0.000 0.245 159 V C 2.873 178.932 176.094 -0.058 0.000 1.043 159 V CA 2.330 64.550 62.300 -0.133 0.000 1.014 159 V CB -1.803 30.072 31.823 0.087 0.000 0.645 159 V HN 0.091 8.281 8.190 -0.000 0.000 0.447 160 A N -0.189 122.592 122.820 -0.066 0.000 1.972 160 A HA -0.280 4.031 4.320 -0.016 0.000 0.219 160 A C 2.324 179.888 177.584 -0.034 0.000 1.169 160 A CA 2.258 54.278 52.037 -0.029 0.000 0.635 160 A CB -0.512 18.467 19.000 -0.035 0.000 0.810 160 A HN 0.555 8.705 8.150 -0.000 0.000 0.446 161 K N -0.336 120.017 120.400 -0.080 0.000 2.057 161 K HA -0.084 4.226 4.320 -0.016 0.000 0.207 161 K C 1.742 178.314 176.600 -0.048 0.000 1.049 161 K CA 1.570 57.813 56.287 -0.073 0.000 0.931 161 K CB -0.234 32.202 32.500 -0.107 0.000 0.714 161 K HN 0.227 8.477 8.250 -0.000 0.000 0.440 162 V N 1.651 121.540 119.914 -0.041 0.000 2.358 162 V HA -0.241 3.870 4.120 -0.016 0.000 0.246 162 V C 2.294 178.435 176.094 0.079 0.000 1.047 162 V CA 1.535 63.837 62.300 0.004 0.000 1.035 162 V CB -0.371 31.477 31.823 0.041 0.000 0.658 162 V HN 0.325 8.515 8.190 -0.000 0.000 0.452 163 L N 0.280 121.589 121.223 0.143 0.000 2.017 163 L HA -0.212 4.118 4.340 -0.016 0.000 0.208 163 L C 2.420 179.419 176.870 0.215 0.000 1.073 163 L CA 2.284 57.291 54.840 0.279 0.000 0.745 163 L CB -0.649 41.503 42.059 0.155 0.000 0.894 163 L HN 0.446 8.676 8.230 -0.000 0.000 0.432 164 N N -0.456 118.294 118.700 0.084 0.000 2.250 164 N HA -0.164 4.567 4.740 -0.016 0.000 0.181 164 N C 1.469 176.977 175.510 -0.003 0.000 1.017 164 N CA 1.039 54.115 53.050 0.044 0.000 0.866 164 N CB 0.111 38.606 38.487 0.013 0.000 0.985 164 N HN 0.130 8.510 8.380 -0.000 0.000 0.429 165 D N -0.081 120.295 120.400 -0.039 0.000 2.117 165 D HA -0.089 4.542 4.640 -0.016 0.000 0.198 165 D C 0.911 177.116 176.300 -0.158 0.000 0.982 165 D CA 1.084 55.033 54.000 -0.085 0.000 0.828 165 D CB -0.233 40.513 40.800 -0.090 0.000 0.967 165 D HN 0.355 8.725 8.370 -0.000 0.000 0.464 166 D N -1.672 118.567 120.400 -0.267 0.000 2.240 166 D HA 0.049 4.679 4.640 -0.016 0.000 0.206 166 D C 1.002 176.847 176.300 -0.758 0.000 0.963 166 D CA 0.517 54.141 54.000 -0.625 0.000 0.863 166 D CB 0.201 40.379 40.800 -1.036 0.000 0.973 166 D HN 0.199 8.569 8.370 -0.000 0.000 0.501 167 F N -0.851 119.091 119.950 -0.014 0.000 2.834 167 F HA 0.368 4.886 4.527 -0.016 0.000 0.332 167 F C 0.909 176.704 175.800 -0.008 0.000 1.056 167 F CA 0.061 58.056 58.000 -0.008 0.000 1.178 167 F CB 0.659 39.657 39.000 -0.003 0.000 1.037 167 F HN -0.129 8.171 8.300 -0.000 0.000 0.580 168 G N 2.480 111.355 108.800 0.125 0.000 3.396 168 G HA2 -0.140 3.810 3.960 -0.016 0.000 0.682 168 G HA3 -0.140 3.810 3.960 -0.016 0.000 0.682 168 G C -1.107 173.846 174.900 0.088 0.000 0.924 168 G CA -0.766 44.380 45.100 0.077 0.000 0.770 168 G HN 0.237 8.527 8.290 -0.000 0.000 0.484 169 L N 4.254 125.513 121.223 0.060 0.000 2.281 169 L HA 0.618 4.949 4.340 -0.016 0.000 0.285 169 L C 1.214 178.102 176.870 0.029 0.000 1.074 169 L CA -0.021 54.847 54.840 0.047 0.000 0.817 169 L CB 1.531 43.611 42.059 0.036 0.000 1.168 169 L HN 0.462 8.692 8.230 -0.000 0.000 0.434 170 V N 3.974 123.903 119.914 0.025 0.000 2.331 170 V HA 0.100 4.211 4.120 -0.016 0.000 0.242 170 V C 0.556 176.657 176.094 0.010 0.000 1.034 170 V CA 1.405 63.714 62.300 0.016 0.000 1.027 170 V CB -0.581 31.250 31.823 0.014 0.000 0.667 170 V HN 0.958 9.148 8.190 -0.000 0.000 0.457 171 E N -1.488 118.718 120.200 0.009 0.000 2.403 171 E HA 0.558 4.899 4.350 -0.016 0.000 0.280 171 E C -0.735 175.867 176.600 0.003 0.000 1.101 171 E CA -0.402 56.000 56.400 0.005 0.000 0.856 171 E CB 1.563 31.265 29.700 0.003 0.000 1.303 171 E HN 0.227 8.587 8.360 -0.000 0.000 0.441 172 G N 0.716 109.517 108.800 0.001 0.000 2.703 172 G HA2 0.527 4.477 3.960 -0.016 0.000 0.294 172 G HA3 0.527 4.477 3.960 -0.016 0.000 0.294 172 G C -1.605 173.293 174.900 -0.002 0.000 1.451 172 G CA -0.888 44.212 45.100 -0.000 0.000 0.869 172 G HN 0.366 8.656 8.290 -0.000 0.000 0.516 173 L N 1.121 122.341 121.223 -0.004 0.000 2.334 173 L HA 0.742 5.072 4.340 -0.016 0.000 0.273 173 L C 0.036 176.903 176.870 -0.006 0.000 1.013 173 L CA -0.877 53.960 54.840 -0.005 0.000 0.816 173 L CB 2.366 44.422 42.059 -0.006 0.000 1.278 173 L HN 0.435 8.665 8.230 -0.000 0.000 0.431 174 M N 1.282 120.879 119.600 -0.005 0.000 2.464 174 M HA 0.499 4.970 4.480 -0.016 0.000 0.308 174 M C -1.458 174.841 176.300 -0.001 0.000 1.127 174 M CA -0.199 55.099 55.300 -0.004 0.000 0.913 174 M CB 2.316 34.915 32.600 -0.002 0.000 1.689 174 M HN 0.520 8.810 8.290 -0.000 0.000 0.445 175 T N 1.870 116.423 114.554 -0.002 0.000 2.879 175 T HA 0.308 4.649 4.350 -0.016 0.000 0.290 175 T C -0.776 173.938 174.700 0.024 0.000 0.993 175 T CA -0.372 61.733 62.100 0.008 0.000 0.975 175 T CB 1.571 70.437 68.868 -0.003 0.000 0.981 175 T HN 0.681 8.921 8.240 -0.000 0.000 0.439 176 T N 3.729 118.321 114.554 0.065 0.000 2.733 176 T HA 0.518 4.859 4.350 -0.016 0.000 0.294 176 T C -0.095 174.673 174.700 0.114 0.000 0.956 176 T CA -0.625 61.549 62.100 0.124 0.000 0.987 176 T CB -0.410 68.615 68.868 0.262 0.000 0.920 176 T HN 0.357 8.597 8.240 -0.000 0.000 0.470 177 I N 7.053 127.655 120.570 0.055 0.000 2.347 177 I HA 0.291 4.451 4.170 -0.016 0.000 0.294 177 I C 0.545 176.703 176.117 0.068 0.000 1.090 177 I CA -0.146 61.182 61.300 0.046 0.000 1.314 177 I CB 0.117 38.110 38.000 -0.012 0.000 1.423 177 I HN 0.572 8.782 8.210 -0.000 0.000 0.503 178 H N 5.917 124.977 119.070 -0.016 0.000 2.600 178 H HA 0.683 5.229 4.556 -0.016 0.000 0.357 178 H C -0.662 174.647 175.328 -0.033 0.000 1.106 178 H CA -0.971 55.054 56.048 -0.038 0.000 1.193 178 H CB 1.959 31.726 29.762 0.008 0.000 1.594 178 H HN 0.627 8.907 8.280 -0.000 0.000 0.526 179 A N 4.039 126.884 122.820 0.042 0.000 2.466 179 A HA 0.197 4.508 4.320 -0.016 0.000 0.238 179 A C -0.417 177.263 177.584 0.161 0.000 1.074 179 A CA -0.170 51.864 52.037 -0.005 0.000 0.774 179 A CB -0.470 18.408 19.000 -0.203 0.000 1.015 179 A HN 0.651 8.801 8.150 -0.000 0.000 0.498 180 Y N 0.497 120.861 120.300 0.107 0.000 2.457 180 Y HA 0.500 5.040 4.550 -0.017 0.000 0.341 180 Y C 0.641 176.593 175.900 0.087 0.000 1.240 180 Y CA -0.290 57.859 58.100 0.083 0.000 1.437 180 Y CB -0.032 38.454 38.460 0.043 0.000 1.328 180 Y HN 0.723 9.003 8.280 -0.000 0.000 0.588 181 T N -1.420 113.289 114.554 0.259 0.000 2.930 181 T HA 0.501 4.842 4.350 -0.016 0.000 0.290 181 T C 1.116 175.932 174.700 0.193 0.000 1.052 181 T CA -0.552 61.648 62.100 0.167 0.000 1.017 181 T CB 1.326 70.264 68.868 0.117 0.000 1.137 181 T HN 0.945 9.185 8.240 -0.000 0.000 0.511 182 G N 0.652 109.534 108.800 0.137 0.000 2.499 182 G HA2 -0.207 3.744 3.960 -0.016 0.000 0.221 182 G HA3 -0.207 3.744 3.960 -0.016 0.000 0.221 182 G C 1.058 176.025 174.900 0.112 0.000 1.109 182 G CA 1.092 46.266 45.100 0.123 0.000 0.749 182 G HN 0.969 9.259 8.290 -0.000 0.000 0.568 183 D N -0.354 120.113 120.400 0.112 0.000 2.350 183 D HA 0.009 4.640 4.640 -0.016 0.000 0.213 183 D C 0.925 177.353 176.300 0.213 0.000 1.031 183 D CA -0.073 54.006 54.000 0.131 0.000 0.861 183 D CB -0.101 40.767 40.800 0.115 0.000 0.926 183 D HN 0.309 8.679 8.370 -0.000 0.000 0.520 184 Q N 0.486 120.380 119.800 0.157 0.000 2.394 184 Q HA 0.185 4.516 4.340 -0.016 0.000 0.248 184 Q C -0.236 175.827 176.000 0.105 0.000 0.992 184 Q CA -0.383 55.493 55.803 0.122 0.000 0.888 184 Q CB 0.756 29.544 28.738 0.084 0.000 1.257 184 Q HN 0.042 8.312 8.270 -0.000 0.000 0.462 185 N N 0.100 118.850 118.700 0.083 0.000 2.524 185 N HA 0.102 4.833 4.740 -0.016 0.000 0.283 185 N C 0.381 175.880 175.510 -0.019 0.000 1.142 185 N CA 0.022 53.103 53.050 0.052 0.000 0.984 185 N CB 1.277 39.806 38.487 0.070 0.000 1.155 185 N HN 0.493 8.873 8.380 -0.000 0.000 0.467 186 T N 0.383 114.925 114.554 -0.020 0.000 2.770 186 T HA -0.002 4.339 4.350 -0.016 0.000 0.263 186 T C 0.467 175.134 174.700 -0.055 0.000 1.039 186 T CA 1.120 63.187 62.100 -0.055 0.000 1.142 186 T CB 0.113 68.967 68.868 -0.025 0.000 0.868 186 T HN 0.371 8.611 8.240 -0.000 0.000 0.435 187 Q N 1.201 120.985 119.800 -0.027 0.000 2.387 187 Q HA 0.301 4.631 4.340 -0.016 0.000 0.273 187 Q C -1.252 174.742 176.000 -0.011 0.000 1.089 187 Q CA -0.699 55.091 55.803 -0.023 0.000 0.824 187 Q CB 1.388 30.118 28.738 -0.014 0.000 1.367 187 Q HN 0.183 8.453 8.270 -0.000 0.000 0.443 188 D N 1.525 121.918 120.400 -0.012 0.000 2.662 188 D HA 0.220 4.851 4.640 -0.016 0.000 0.237 188 D C -0.640 175.665 176.300 0.009 0.000 1.154 188 D CA 0.956 54.954 54.000 -0.003 0.000 0.861 188 D CB 0.236 41.032 40.800 -0.006 0.000 1.146 188 D HN 0.566 8.936 8.370 -0.000 0.000 0.518 189 A N 3.822 126.656 122.820 0.023 0.000 2.605 189 A HA 0.538 4.849 4.320 -0.016 0.000 0.294 189 A C -2.834 174.781 177.584 0.052 0.000 1.062 189 A CA -1.381 50.675 52.037 0.031 0.000 0.682 189 A CB 1.210 20.227 19.000 0.028 0.000 1.278 189 A HN 0.215 8.365 8.150 -0.000 0.000 0.410 190 P HA 0.035 4.455 4.420 -0.000 0.000 0.258 190 P C -0.565 176.785 177.300 0.084 0.000 1.172 190 P CA 0.681 63.814 63.100 0.056 0.000 0.762 190 P CB 0.042 31.760 31.700 0.030 0.000 0.764 191 H N 3.837 122.912 119.070 0.008 0.000 2.481 191 H HA 0.140 4.687 4.556 -0.015 0.000 0.339 191 H C 1.469 176.808 175.328 0.018 0.000 1.131 191 H CA -0.471 55.584 56.048 0.012 0.000 1.301 191 H CB 1.120 30.886 29.762 0.007 0.000 1.476 191 H HN 0.402 8.682 8.280 -0.000 0.000 0.529 192 R N 3.257 123.481 120.500 -0.461 0.000 2.073 192 R HA -0.093 4.237 4.340 -0.016 0.000 0.234 192 R C 0.536 176.792 176.300 -0.073 0.000 1.134 192 R CA 1.383 57.344 56.100 -0.232 0.000 0.952 192 R CB 0.031 30.178 30.300 -0.254 0.000 0.850 192 R HN 0.530 8.800 8.270 -0.000 0.000 0.433 193 K N -0.406 119.995 120.400 0.001 0.000 2.437 193 K HA 0.146 4.457 4.320 -0.016 0.000 0.198 193 K C 0.469 177.175 176.600 0.176 0.000 1.024 193 K CA 0.458 56.827 56.287 0.135 0.000 1.148 193 K CB 0.710 33.313 32.500 0.170 0.000 0.860 193 K HN 0.559 8.809 8.250 -0.000 0.000 0.515 194 G N 2.349 111.267 108.800 0.196 0.000 2.153 194 G HA2 -0.252 3.699 3.960 -0.016 0.000 0.252 194 G HA3 -0.252 3.699 3.960 -0.016 0.000 0.252 194 G C -0.423 174.532 174.900 0.092 0.000 0.994 194 G CA 0.208 45.382 45.100 0.123 0.000 0.698 194 G HN 0.425 8.715 8.290 -0.000 0.000 0.521 195 D N 0.268 120.725 120.400 0.095 0.000 2.365 195 D HA 0.341 4.971 4.640 -0.016 0.000 0.237 195 D C 1.447 177.682 176.300 -0.108 0.000 1.190 195 D CA -0.350 53.606 54.000 -0.074 0.000 0.867 195 D CB 0.531 41.197 40.800 -0.223 0.000 1.050 195 D HN 0.311 8.681 8.370 -0.000 0.000 0.491 196 K N 2.317 122.685 120.400 -0.053 0.000 2.442 196 K HA -0.020 4.291 4.320 -0.016 0.000 0.198 196 K C 1.716 178.279 176.600 -0.061 0.000 1.042 196 K CA 0.752 57.018 56.287 -0.036 0.000 0.958 196 K CB 0.560 33.048 32.500 -0.019 0.000 0.766 196 K HN 0.293 8.543 8.250 -0.000 0.000 0.474 197 R N -0.298 120.144 120.500 -0.097 0.000 2.123 197 R HA 0.143 4.474 4.340 -0.016 0.000 0.209 197 R C 1.866 178.083 176.300 -0.138 0.000 1.078 197 R CA 0.326 56.369 56.100 -0.095 0.000 1.028 197 R CB 0.170 30.423 30.300 -0.079 0.000 0.939 197 R HN 0.003 8.273 8.270 -0.000 0.000 0.463 198 R N 0.548 120.892 120.500 -0.259 0.000 2.285 198 R HA 0.039 4.370 4.340 -0.016 0.000 0.213 198 R C 1.809 177.951 176.300 -0.262 0.000 1.068 198 R CA 0.791 56.674 56.100 -0.362 0.000 1.004 198 R CB -0.017 29.876 30.300 -0.678 0.000 0.873 198 R HN 0.152 8.422 8.270 -0.000 0.000 0.467 199 A N 1.074 123.800 122.820 -0.158 0.000 2.119 199 A HA -0.034 4.276 4.320 -0.016 0.000 0.217 199 A C 0.748 178.338 177.584 0.010 0.000 1.153 199 A CA 0.664 52.713 52.037 0.021 0.000 0.692 199 A CB 0.048 19.071 19.000 0.038 0.000 0.799 199 A HN 0.012 8.162 8.150 -0.000 0.000 0.458 200 R N -0.449 120.034 120.500 -0.028 0.000 2.500 200 R HA 0.512 4.843 4.340 -0.016 0.000 0.277 200 R C 0.217 176.492 176.300 -0.041 0.000 1.026 200 R CA 0.015 56.098 56.100 -0.029 0.000 1.058 200 R CB 0.193 30.471 30.300 -0.035 0.000 1.078 200 R HN 0.202 8.472 8.270 -0.000 0.000 0.509 201 A N 1.860 124.652 122.820 -0.047 0.000 2.558 201 A HA 0.084 4.394 4.320 -0.016 0.000 0.262 201 A C 1.483 178.995 177.584 -0.120 0.000 1.049 201 A CA 0.854 52.845 52.037 -0.076 0.000 0.804 201 A CB -0.319 18.642 19.000 -0.065 0.000 0.957 201 A HN 0.850 9.000 8.150 -0.000 0.000 0.520 202 A N 3.120 125.827 122.820 -0.188 0.000 1.940 202 A HA 0.111 4.421 4.320 -0.016 0.000 0.219 202 A C 1.993 179.347 177.584 -0.383 0.000 1.176 202 A CA 2.101 53.961 52.037 -0.295 0.000 0.631 202 A CB -0.305 18.412 19.000 -0.472 0.000 0.814 202 A HN 1.880 10.030 8.150 -0.000 0.000 0.446 203 A N -1.365 121.204 122.820 -0.418 0.000 2.465 203 A HA 0.374 4.685 4.320 -0.016 0.000 0.255 203 A C 0.832 178.349 177.584 -0.111 0.000 1.274 203 A CA 0.076 51.920 52.037 -0.321 0.000 0.920 203 A CB 0.212 18.994 19.000 -0.362 0.000 1.033 203 A HN 0.291 8.441 8.150 -0.000 0.000 0.516 204 E N 0.013 120.157 120.200 -0.094 0.000 2.660 204 E HA 0.171 4.512 4.350 -0.016 0.000 0.216 204 E C -1.040 175.543 176.600 -0.027 0.000 0.986 204 E CA 0.019 56.392 56.400 -0.045 0.000 1.037 204 E CB 0.144 29.817 29.700 -0.046 0.000 1.041 204 E HN 0.676 9.036 8.360 -0.000 0.000 0.480 205 N N 0.010 118.695 118.700 -0.024 0.000 2.396 205 N HA 0.392 5.122 4.740 -0.016 0.000 0.275 205 N C -0.991 174.524 175.510 0.009 0.000 1.218 205 N CA -0.579 52.466 53.050 -0.010 0.000 0.812 205 N CB 2.047 40.522 38.487 -0.020 0.000 1.592 205 N HN -0.142 8.238 8.380 -0.000 0.000 0.480 206 I N 1.812 122.389 120.570 0.011 0.000 2.396 206 I HA 0.299 4.459 4.170 -0.016 0.000 0.289 206 I C -0.451 175.669 176.117 0.004 0.000 1.056 206 I CA 0.072 61.382 61.300 0.016 0.000 1.365 206 I CB 0.219 38.228 38.000 0.014 0.000 1.407 206 I HN 0.318 8.528 8.210 -0.000 0.000 0.509 207 I N 8.748 129.321 120.570 0.004 0.000 2.448 207 I HA 0.317 4.478 4.170 -0.016 0.000 0.281 207 I C -2.384 173.722 176.117 -0.019 0.000 1.027 207 I CA -2.085 59.207 61.300 -0.013 0.000 1.111 207 I CB 1.566 39.553 38.000 -0.021 0.000 1.236 207 I HN 0.250 8.460 8.210 -0.000 0.000 0.452 208 P HA 0.178 4.598 4.420 -0.000 0.000 0.268 208 P C -0.886 176.389 177.300 -0.042 0.000 1.205 208 P CA 0.045 63.129 63.100 -0.025 0.000 0.771 208 P CB 0.580 32.267 31.700 -0.022 0.000 0.858 209 N N -0.729 117.943 118.700 -0.046 0.000 3.116 209 N HA 0.334 5.065 4.740 -0.016 0.000 0.244 209 N C -1.222 174.255 175.510 -0.056 0.000 1.485 209 N CA -0.549 52.464 53.050 -0.062 0.000 0.884 209 N CB 0.963 39.396 38.487 -0.090 0.000 1.415 209 N HN 0.325 8.705 8.380 -0.000 0.000 0.524 210 S N -0.697 114.969 115.700 -0.057 0.000 2.585 210 S HA 0.428 4.888 4.470 -0.016 0.000 0.273 210 S C -0.067 174.499 174.600 -0.056 0.000 1.339 210 S CA -0.266 57.907 58.200 -0.045 0.000 1.028 210 S CB 1.164 64.342 63.200 -0.037 0.000 0.906 210 S HN 0.476 8.786 8.310 -0.000 0.000 0.528 211 T N 0.531 115.065 114.554 -0.034 0.000 2.848 211 T HA 0.566 4.906 4.350 -0.016 0.000 0.285 211 T C 1.203 175.895 174.700 -0.013 0.000 0.995 211 T CA -0.153 61.934 62.100 -0.023 0.000 0.970 211 T CB 0.848 69.722 68.868 0.011 0.000 0.976 211 T HN 0.847 9.087 8.240 -0.000 0.000 0.441 212 G N 2.239 111.031 108.800 -0.014 0.000 2.625 212 G HA2 0.110 4.061 3.960 -0.016 0.000 0.214 212 G HA3 0.110 4.061 3.960 -0.016 0.000 0.214 212 G C 1.422 176.319 174.900 -0.005 0.000 1.132 212 G CA 0.647 45.741 45.100 -0.011 0.000 0.782 212 G HN 0.921 9.211 8.290 -0.000 0.000 0.538 213 A N 0.510 123.327 122.820 -0.005 0.000 2.167 213 A HA 0.526 4.837 4.320 -0.016 0.000 0.214 213 A C 2.570 180.150 177.584 -0.008 0.000 1.151 213 A CA 1.426 53.457 52.037 -0.010 0.000 0.735 213 A CB -0.224 18.763 19.000 -0.021 0.000 0.802 213 A HN 0.515 8.665 8.150 -0.000 0.000 0.467 214 A N -0.516 122.301 122.820 -0.005 0.000 2.014 214 A HA 0.012 4.323 4.320 -0.016 0.000 0.218 214 A C 1.999 179.582 177.584 -0.002 0.000 1.163 214 A CA 1.866 53.900 52.037 -0.004 0.000 0.652 214 A CB -0.093 18.905 19.000 -0.004 0.000 0.808 214 A HN 0.362 8.512 8.150 -0.000 0.000 0.449 215 K N -1.307 119.093 120.400 -0.000 0.000 2.387 215 K HA 0.429 4.740 4.320 -0.016 0.000 0.197 215 K C 1.984 178.587 176.600 0.006 0.000 1.127 215 K CA 0.793 57.082 56.287 0.003 0.000 0.950 215 K CB -0.204 32.300 32.500 0.006 0.000 1.017 215 K HN 0.246 8.496 8.250 -0.000 0.000 0.519 216 A N 1.037 123.862 122.820 0.007 0.000 1.978 216 A HA -0.179 4.132 4.320 -0.016 0.000 0.220 216 A C 2.087 179.675 177.584 0.007 0.000 1.170 216 A CA 1.510 53.555 52.037 0.013 0.000 0.636 216 A CB -0.586 18.425 19.000 0.018 0.000 0.810 216 A HN 0.274 8.424 8.150 -0.000 0.000 0.448 217 I N 0.118 120.686 120.570 -0.003 0.000 2.226 217 I HA -0.142 4.019 4.170 -0.016 0.000 0.245 217 I C 2.279 178.389 176.117 -0.010 0.000 1.100 217 I CA 1.695 62.988 61.300 -0.011 0.000 1.374 217 I CB -0.569 37.420 38.000 -0.019 0.000 1.057 217 I HN 0.217 8.427 8.210 -0.000 0.000 0.413 218 G N -0.125 108.672 108.800 -0.006 0.000 2.443 218 G HA2 -0.204 3.747 3.960 -0.016 0.000 0.219 218 G HA3 -0.204 3.747 3.960 -0.016 0.000 0.219 218 G C 1.690 176.588 174.900 -0.004 0.000 1.131 218 G CA 0.475 45.571 45.100 -0.006 0.000 0.775 218 G HN 0.397 8.687 8.290 -0.000 0.000 0.547 219 K N -0.055 120.346 120.400 0.002 0.000 2.296 219 K HA 0.105 4.415 4.320 -0.016 0.000 0.200 219 K C 2.218 178.819 176.600 0.002 0.000 1.048 219 K CA 0.434 56.725 56.287 0.006 0.000 0.966 219 K CB 0.207 32.716 32.500 0.015 0.000 0.754 219 K HN 0.259 8.509 8.250 -0.000 0.000 0.466 220 V N 1.102 121.013 119.914 -0.004 0.000 2.575 220 V HA 0.030 4.141 4.120 -0.016 0.000 0.242 220 V C 1.033 177.110 176.094 -0.028 0.000 1.045 220 V CA 0.832 63.125 62.300 -0.012 0.000 1.065 220 V CB 0.101 31.918 31.823 -0.010 0.000 0.717 220 V HN 0.158 8.348 8.190 -0.000 0.000 0.467 221 I N 0.839 121.392 120.570 -0.028 0.000 2.621 221 I HA 0.254 4.415 4.170 -0.016 0.000 0.276 221 I C -2.022 174.081 176.117 -0.024 0.000 1.118 221 I CA -1.552 59.727 61.300 -0.034 0.000 1.159 221 I CB 1.605 39.581 38.000 -0.040 0.000 1.357 221 I HN 0.097 8.307 8.210 -0.000 0.000 0.513 222 P HA -0.218 4.202 4.420 -0.000 0.000 0.218 222 P C 1.379 178.671 177.300 -0.014 0.000 1.148 222 P CA 1.187 64.278 63.100 -0.015 0.000 0.822 222 P CB 0.110 31.802 31.700 -0.014 0.000 0.784 223 E N 0.793 120.982 120.200 -0.018 0.000 2.472 223 E HA -0.131 4.210 4.350 -0.016 0.000 0.200 223 E C 1.350 177.943 176.600 -0.011 0.000 1.046 223 E CA 0.892 57.283 56.400 -0.015 0.000 0.871 223 E CB -0.848 28.840 29.700 -0.019 0.000 0.806 223 E HN 0.430 8.790 8.360 -0.000 0.000 0.533 224 I N -1.505 119.058 120.570 -0.012 0.000 3.927 224 I HA 0.318 4.479 4.170 -0.016 0.000 0.332 224 I C -0.020 176.093 176.117 -0.006 0.000 1.485 224 I CA -0.839 60.456 61.300 -0.008 0.000 1.131 224 I CB 0.143 38.138 38.000 -0.008 0.000 1.092 224 I HN -0.322 7.888 8.210 -0.000 0.000 0.410 225 D N 2.404 122.800 120.400 -0.006 0.000 2.493 225 D HA 0.269 4.899 4.640 -0.016 0.000 0.240 225 D C 1.535 177.834 176.300 -0.002 0.000 1.142 225 D CA 2.019 56.017 54.000 -0.004 0.000 0.872 225 D CB 0.966 41.764 40.800 -0.003 0.000 1.173 225 D HN 0.555 8.925 8.370 -0.000 0.000 0.467 226 G N 3.761 112.560 108.800 -0.002 0.000 2.234 226 G HA2 -0.374 3.576 3.960 -0.016 0.000 0.260 226 G HA3 -0.374 3.576 3.960 -0.016 0.000 0.260 226 G C 1.175 176.075 174.900 -0.001 0.000 0.987 226 G CA 0.685 45.785 45.100 -0.001 0.000 0.625 226 G HN 0.583 8.873 8.290 -0.000 0.000 0.532 227 K N -0.393 120.006 120.400 -0.001 0.000 2.400 227 K HA 0.420 4.731 4.320 -0.016 0.000 0.194 227 K C 0.819 177.419 176.600 -0.000 0.000 1.033 227 K CA 0.324 56.611 56.287 0.000 0.000 1.021 227 K CB 0.257 32.758 32.500 0.001 0.000 0.808 227 K HN 0.399 8.649 8.250 -0.000 0.000 0.505 228 L N 0.311 121.532 121.223 -0.002 0.000 2.354 228 L HA 0.417 4.748 4.340 -0.016 0.000 0.269 228 L C -0.867 176.001 176.870 -0.004 0.000 1.005 228 L CA -0.947 53.891 54.840 -0.003 0.000 0.819 228 L CB 1.873 43.929 42.059 -0.005 0.000 1.311 228 L HN -0.109 8.121 8.230 -0.000 0.000 0.423 229 D N -0.261 120.137 120.400 -0.004 0.000 2.643 229 D HA 0.830 5.461 4.640 -0.016 0.000 0.283 229 D C -0.627 175.670 176.300 -0.004 0.000 1.242 229 D CA 0.438 54.435 54.000 -0.004 0.000 0.863 229 D CB 2.567 43.365 40.800 -0.003 0.000 1.382 229 D HN 0.768 9.138 8.370 -0.000 0.000 0.444 230 G N -1.557 107.241 108.800 -0.004 0.000 2.352 230 G HA2 0.551 4.501 3.960 -0.016 0.000 0.283 230 G HA3 0.551 4.501 3.960 -0.016 0.000 0.283 230 G C -0.585 174.313 174.900 -0.003 0.000 1.308 230 G CA 0.141 45.239 45.100 -0.003 0.000 0.892 230 G HN 0.909 9.199 8.290 -0.000 0.000 0.504 231 G N -1.536 107.263 108.800 -0.001 0.000 2.871 231 G HA2 1.012 4.963 3.960 -0.016 0.000 0.282 231 G HA3 1.012 4.963 3.960 -0.016 0.000 0.282 231 G C -0.770 174.134 174.900 0.006 0.000 1.212 231 G CA 0.698 45.796 45.100 -0.004 0.000 0.812 231 G HN 2.161 10.451 8.290 -0.000 0.000 0.547 232 A N -0.955 121.861 122.820 -0.006 0.000 2.469 232 A HA 0.807 5.117 4.320 -0.016 0.000 0.299 232 A C -1.365 176.219 177.584 -0.001 0.000 1.098 232 A CA -0.530 51.510 52.037 0.004 0.000 0.737 232 A CB 2.059 21.026 19.000 -0.054 0.000 1.312 232 A HN 0.354 8.504 8.150 -0.000 0.000 0.414 233 Q N 1.712 121.526 119.800 0.024 0.000 2.347 233 Q HA 0.320 4.651 4.340 -0.016 0.000 0.265 233 Q C -1.009 175.020 176.000 0.049 0.000 1.024 233 Q CA -0.665 55.150 55.803 0.021 0.000 0.731 233 Q CB 1.803 30.553 28.738 0.020 0.000 1.245 233 Q HN 0.620 8.890 8.270 -0.000 0.000 0.472 234 R N 1.400 121.919 120.500 0.031 0.000 2.316 234 R HA 0.337 4.667 4.340 -0.016 0.000 0.314 234 R C 0.357 176.714 176.300 0.096 0.000 1.069 234 R CA -0.153 55.991 56.100 0.074 0.000 0.959 234 R CB 0.196 30.521 30.300 0.041 0.000 0.987 234 R HN 0.470 8.740 8.270 -0.000 0.000 0.446 235 V N 0.627 120.623 119.914 0.137 0.000 3.074 235 V HA 0.602 4.712 4.120 -0.016 0.000 0.314 235 V C -2.414 173.815 176.094 0.224 0.000 1.117 235 V CA -2.692 59.686 62.300 0.130 0.000 1.014 235 V CB 2.528 34.405 31.823 0.090 0.000 1.057 235 V HN 0.424 8.614 8.190 -0.000 0.000 0.438 236 P HA 0.233 4.653 4.420 -0.000 0.000 0.225 236 P C -0.295 177.164 177.300 0.265 0.000 1.768 236 P CA 0.199 63.486 63.100 0.312 0.000 0.943 236 P CB -0.367 31.422 31.700 0.148 0.000 1.936 237 V N -2.977 117.029 119.914 0.152 0.000 2.715 237 V HA 0.777 4.888 4.120 -0.016 0.000 0.310 237 V C 1.094 176.967 176.094 -0.369 0.000 1.054 237 V CA -0.796 61.491 62.300 -0.021 0.000 0.928 237 V CB 1.641 33.445 31.823 -0.032 0.000 1.007 237 V HN 0.019 8.209 8.190 -0.000 0.000 0.437 238 A N 2.357 124.933 122.820 -0.406 0.000 2.123 238 A HA 0.448 4.759 4.320 -0.016 0.000 0.214 238 A C 1.074 178.403 177.584 -0.426 0.000 1.152 238 A CA 1.254 52.873 52.037 -0.696 0.000 0.728 238 A CB -0.128 18.676 19.000 -0.328 0.000 0.814 238 A HN 1.150 9.300 8.150 -0.000 0.000 0.464 239 T N -2.303 112.091 114.554 -0.267 0.000 2.893 239 T HA 0.525 4.865 4.350 -0.016 0.000 0.337 239 T C -0.844 173.756 174.700 -0.167 0.000 1.587 239 T CA 0.622 62.602 62.100 -0.201 0.000 1.066 239 T CB 1.159 69.943 68.868 -0.140 0.000 1.414 239 T HN 1.875 10.115 8.240 -0.000 0.000 0.488 240 G N 1.946 110.630 108.800 -0.194 0.000 3.233 240 G HA2 0.324 4.275 3.960 -0.016 0.000 0.686 240 G HA3 0.324 4.275 3.960 -0.016 0.000 0.686 240 G C -0.741 174.030 174.900 -0.215 0.000 1.153 240 G CA -0.140 44.864 45.100 -0.161 0.000 0.853 240 G HN 0.938 9.228 8.290 -0.000 0.000 0.582 241 S N 0.009 115.511 115.700 -0.330 0.000 2.638 241 S HA 0.859 5.319 4.470 -0.016 0.000 0.274 241 S C -1.133 173.300 174.600 -0.279 0.000 1.157 241 S CA -0.786 57.123 58.200 -0.484 0.000 0.826 241 S CB 2.134 64.655 63.200 -1.133 0.000 1.139 241 S HN 1.730 10.040 8.310 -0.000 0.000 0.474 242 L N 1.479 122.584 121.223 -0.197 0.000 2.438 242 L HA 0.635 4.966 4.340 -0.016 0.000 0.270 242 L C -0.989 175.865 176.870 -0.027 0.000 0.972 242 L CA 0.169 54.858 54.840 -0.252 0.000 0.831 242 L CB 1.986 43.624 42.059 -0.701 0.000 1.273 242 L HN 0.667 8.897 8.230 -0.000 0.000 0.405 243 T N 3.978 118.560 114.554 0.047 0.000 2.743 243 T HA 0.411 4.752 4.350 -0.016 0.000 0.292 243 T C -0.523 174.133 174.700 -0.073 0.000 0.972 243 T CA -0.293 61.828 62.100 0.036 0.000 0.967 243 T CB 0.474 69.357 68.868 0.026 0.000 0.926 243 T HN 0.545 8.785 8.240 -0.000 0.000 0.459 244 E N 2.375 122.535 120.200 -0.066 0.000 2.156 244 E HA 0.456 4.796 4.350 -0.016 0.000 0.279 244 E C -1.007 175.572 176.600 -0.036 0.000 0.965 244 E CA -0.817 55.538 56.400 -0.076 0.000 0.789 244 E CB 1.621 31.271 29.700 -0.084 0.000 1.098 244 E HN 0.257 8.617 8.360 -0.000 0.000 0.397 245 L N 2.778 123.987 121.223 -0.024 0.000 2.349 245 L HA 0.377 4.707 4.340 -0.016 0.000 0.278 245 L C -0.982 175.885 176.870 -0.006 0.000 0.996 245 L CA -0.107 54.730 54.840 -0.006 0.000 0.825 245 L CB 1.961 44.028 42.059 0.012 0.000 1.243 245 L HN 0.330 8.560 8.230 -0.000 0.000 0.412 246 T N 5.316 119.865 114.554 -0.009 0.000 2.772 246 T HA 0.633 4.974 4.350 -0.016 0.000 0.288 246 T C -0.463 174.232 174.700 -0.008 0.000 0.994 246 T CA -0.377 61.716 62.100 -0.011 0.000 0.951 246 T CB 0.985 69.844 68.868 -0.015 0.000 0.933 246 T HN 0.546 8.786 8.240 -0.000 0.000 0.447 247 V N 1.250 121.158 119.914 -0.010 0.000 2.864 247 V HA 0.872 4.983 4.120 -0.016 0.000 0.314 247 V C -0.522 175.564 176.094 -0.014 0.000 1.073 247 V CA -0.978 61.318 62.300 -0.008 0.000 0.956 247 V CB 1.940 33.762 31.823 -0.001 0.000 1.023 247 V HN 0.509 8.699 8.190 -0.000 0.000 0.435 248 V N 4.570 124.481 119.914 -0.006 0.000 2.398 248 V HA 0.520 4.631 4.120 -0.016 0.000 0.286 248 V C 0.013 176.109 176.094 0.003 0.000 1.026 248 V CA -0.319 61.978 62.300 -0.006 0.000 0.868 248 V CB 1.131 32.953 31.823 -0.002 0.000 0.982 248 V HN 0.803 8.993 8.190 -0.000 0.000 0.443 249 L N 3.212 124.435 121.223 0.001 0.000 2.352 249 L HA 0.523 4.854 4.340 -0.016 0.000 0.269 249 L C 1.304 178.199 176.870 0.041 0.000 1.034 249 L CA -0.508 54.350 54.840 0.030 0.000 0.806 249 L CB 1.462 43.533 42.059 0.019 0.000 1.244 249 L HN 0.570 8.800 8.230 -0.000 0.000 0.447 250 E N 0.551 120.790 120.200 0.066 0.000 2.015 250 E HA -0.138 4.203 4.350 -0.016 0.000 0.191 250 E C 0.500 177.138 176.600 0.063 0.000 0.991 250 E CA 1.017 57.450 56.400 0.055 0.000 0.802 250 E CB 0.098 29.830 29.700 0.053 0.000 0.759 250 E HN 0.368 8.728 8.360 -0.000 0.000 0.447 251 K N 1.134 121.597 120.400 0.104 0.000 2.448 251 K HA -0.070 4.240 4.320 -0.016 0.000 0.278 251 K C 0.411 177.052 176.600 0.068 0.000 1.009 251 K CA 0.474 56.827 56.287 0.110 0.000 0.995 251 K CB 0.562 33.190 32.500 0.213 0.000 0.917 251 K HN 0.004 8.254 8.250 -0.000 0.000 0.481 252 Q N 2.472 122.298 119.800 0.045 0.000 2.118 252 Q HA 0.052 4.383 4.340 -0.016 0.000 0.219 252 Q C -0.835 175.172 176.000 0.011 0.000 0.794 252 Q CA 0.051 55.865 55.803 0.017 0.000 1.035 252 Q CB 0.926 29.673 28.738 0.014 0.000 1.177 252 Q HN 0.611 8.881 8.270 -0.000 0.000 0.478 253 D N 0.654 121.069 120.400 0.024 0.000 2.892 253 D HA 0.157 4.787 4.640 -0.016 0.000 0.291 253 D C -0.280 176.032 176.300 0.019 0.000 1.341 253 D CA -0.030 53.981 54.000 0.019 0.000 0.844 253 D CB 0.835 41.649 40.800 0.024 0.000 1.093 253 D HN -0.131 8.239 8.370 -0.000 0.000 0.480 254 V N 0.848 120.756 119.914 -0.010 0.000 2.775 254 V HA 0.375 4.485 4.120 -0.016 0.000 0.299 254 V C 0.993 177.057 176.094 -0.051 0.000 1.062 254 V CA -0.005 62.262 62.300 -0.055 0.000 1.063 254 V CB 1.541 33.241 31.823 -0.204 0.000 0.994 254 V HN 0.388 8.578 8.190 -0.000 0.000 0.483 255 T N 0.371 114.902 114.554 -0.038 0.000 2.916 255 T HA 0.473 4.813 4.350 -0.016 0.000 0.292 255 T C 0.815 175.505 174.700 -0.017 0.000 1.064 255 T CA -0.544 61.546 62.100 -0.016 0.000 1.011 255 T CB 1.568 70.445 68.868 0.016 0.000 1.152 255 T HN 0.102 8.342 8.240 -0.000 0.000 0.510 256 V N 1.356 121.273 119.914 0.005 0.000 2.282 256 V HA -0.183 3.928 4.120 -0.016 0.000 0.249 256 V C 2.605 178.741 176.094 0.070 0.000 1.057 256 V CA 2.353 64.673 62.300 0.035 0.000 1.032 256 V CB -0.995 30.851 31.823 0.038 0.000 0.645 256 V HN 0.936 9.126 8.190 -0.000 0.000 0.447 257 E N -0.536 119.702 120.200 0.064 0.000 2.152 257 E HA -0.183 4.158 4.350 -0.016 0.000 0.192 257 E C 2.234 178.886 176.600 0.087 0.000 0.983 257 E CA 0.874 57.322 56.400 0.079 0.000 0.818 257 E CB -0.270 29.467 29.700 0.060 0.000 0.758 257 E HN 0.634 8.994 8.360 -0.000 0.000 0.467 258 Q N 0.030 119.883 119.800 0.087 0.000 2.050 258 Q HA -0.138 4.193 4.340 -0.016 0.000 0.202 258 Q C 2.203 178.329 176.000 0.209 0.000 0.980 258 Q CA 1.569 57.462 55.803 0.150 0.000 0.840 258 Q CB -0.051 28.799 28.738 0.186 0.000 0.898 258 Q HN 0.172 8.442 8.270 -0.000 0.000 0.424 259 V N 1.573 121.547 119.914 0.100 0.000 2.295 259 V HA -0.281 3.830 4.120 -0.016 0.000 0.246 259 V C 1.787 177.945 176.094 0.107 0.000 1.049 259 V CA 1.845 64.193 62.300 0.080 0.000 1.024 259 V CB -0.634 31.172 31.823 -0.028 0.000 0.648 259 V HN 0.389 8.579 8.190 -0.000 0.000 0.447 260 N N 0.107 118.905 118.700 0.163 0.000 2.058 260 N HA -0.189 4.542 4.740 -0.016 0.000 0.191 260 N C 1.917 177.477 175.510 0.084 0.000 1.037 260 N CA 1.664 54.865 53.050 0.252 0.000 0.848 260 N CB -0.401 38.297 38.487 0.352 0.000 1.021 260 N HN 0.601 8.981 8.380 -0.000 0.000 0.422 261 E N 0.488 120.712 120.200 0.040 0.000 2.097 261 E HA -0.177 4.163 4.350 -0.016 0.000 0.196 261 E C 1.776 178.319 176.600 -0.094 0.000 1.000 261 E CA 1.409 57.775 56.400 -0.058 0.000 0.804 261 E CB -0.079 29.615 29.700 -0.010 0.000 0.740 261 E HN 0.383 8.743 8.360 -0.000 0.000 0.454 262 A N 0.396 123.208 122.820 -0.013 0.000 1.933 262 A HA -0.191 4.120 4.320 -0.016 0.000 0.218 262 A C 2.103 179.639 177.584 -0.080 0.000 1.175 262 A CA 1.488 53.511 52.037 -0.024 0.000 0.628 262 A CB -0.336 18.713 19.000 0.080 0.000 0.814 262 A HN 0.236 8.386 8.150 -0.000 0.000 0.444 263 M N -0.460 119.038 119.600 -0.170 0.000 2.132 263 M HA -0.097 4.374 4.480 -0.016 0.000 0.263 263 M C 2.090 178.214 176.300 -0.293 0.000 1.065 263 M CA 1.877 57.020 55.300 -0.261 0.000 1.122 263 M CB -1.166 30.899 32.600 -0.893 0.000 1.365 263 M HN 0.542 8.832 8.290 -0.000 0.000 0.411 264 K N 0.707 120.836 120.400 -0.452 0.000 2.026 264 K HA -0.154 4.157 4.320 -0.016 0.000 0.208 264 K C 1.602 177.996 176.600 -0.344 0.000 1.048 264 K CA 1.754 57.631 56.287 -0.684 0.000 0.929 264 K CB -0.094 31.764 32.500 -1.069 0.000 0.713 264 K HN 0.415 8.665 8.250 -0.000 0.000 0.439 265 N N -0.239 118.324 118.700 -0.228 0.000 2.272 265 N HA -0.154 4.577 4.740 -0.016 0.000 0.185 265 N C 1.318 176.789 175.510 -0.065 0.000 1.014 265 N CA 0.843 53.816 53.050 -0.127 0.000 0.870 265 N CB -0.051 38.376 38.487 -0.099 0.000 0.975 265 N HN 0.239 8.619 8.380 -0.000 0.000 0.433 266 A N 0.806 123.611 122.820 -0.024 0.000 2.251 266 A HA 0.087 4.398 4.320 -0.016 0.000 0.209 266 A C 0.860 178.543 177.584 0.165 0.000 1.187 266 A CA -0.268 51.826 52.037 0.095 0.000 0.823 266 A CB -0.144 18.973 19.000 0.196 0.000 0.846 266 A HN 0.289 8.439 8.150 -0.000 0.000 0.486 267 S N 1.385 117.077 115.700 -0.014 0.000 2.562 267 S HA 0.412 4.872 4.470 -0.016 0.000 0.281 267 S C -0.030 174.611 174.600 0.069 0.000 1.333 267 S CA 0.131 58.289 58.200 -0.069 0.000 1.052 267 S CB 0.507 63.582 63.200 -0.209 0.000 0.884 267 S HN 0.740 9.050 8.310 -0.000 0.000 0.506 268 N N 0.491 119.279 118.700 0.147 0.000 3.526 268 N HA 0.189 4.920 4.740 -0.016 0.000 0.328 268 N C 0.109 175.793 175.510 0.290 0.000 1.601 268 N CA -0.456 52.709 53.050 0.191 0.000 0.834 268 N CB -0.246 38.352 38.487 0.185 0.000 1.983 268 N HN 0.551 8.931 8.380 -0.000 0.000 0.579 269 E N -0.515 119.845 120.200 0.267 0.000 2.265 269 E HA -0.029 4.312 4.350 -0.016 0.000 0.196 269 E C 0.607 177.430 176.600 0.372 0.000 0.996 269 E CA 1.692 58.258 56.400 0.277 0.000 0.832 269 E CB -0.227 29.572 29.700 0.164 0.000 0.756 269 E HN 0.425 8.785 8.360 -0.000 0.000 0.491 270 S N -0.611 115.319 115.700 0.383 0.000 2.503 270 S HA 0.161 4.621 4.470 -0.016 0.000 0.215 270 S C -0.438 174.443 174.600 0.469 0.000 1.003 270 S CA -0.302 58.132 58.200 0.391 0.000 0.910 270 S CB 0.212 63.607 63.200 0.326 0.000 0.790 270 S HN 0.247 8.557 8.310 -0.000 0.000 0.514 271 F N 2.192 122.251 119.950 0.181 0.000 2.577 271 F HA 0.669 5.186 4.527 -0.016 0.000 0.344 271 F C 0.138 175.810 175.800 -0.214 0.000 1.145 271 F CA -1.562 56.449 58.000 0.018 0.000 0.996 271 F CB 0.461 39.487 39.000 0.043 0.000 1.248 271 F HN -0.003 8.297 8.300 -0.000 0.000 0.447 272 G N 3.775 112.127 108.800 -0.746 0.000 2.502 272 G HA2 0.395 4.345 3.960 -0.016 0.000 0.305 272 G HA3 0.395 4.345 3.960 -0.016 0.000 0.305 272 G C -2.291 172.248 174.900 -0.601 0.000 1.190 272 G CA -0.455 43.915 45.100 -1.217 0.000 0.933 272 G HN 0.619 8.909 8.290 -0.000 0.000 0.503 273 Y N -0.496 119.529 120.300 -0.460 0.000 2.477 273 Y HA 0.650 5.191 4.550 -0.016 0.000 0.347 273 Y C -0.317 175.535 175.900 -0.081 0.000 0.981 273 Y CA -0.717 57.248 58.100 -0.225 0.000 1.033 273 Y CB 2.658 40.992 38.460 -0.209 0.000 1.245 273 Y HN 0.711 8.991 8.280 -0.000 0.000 0.455 274 T N 4.308 118.489 114.554 -0.622 0.000 2.956 274 T HA 0.340 4.681 4.350 -0.016 0.000 0.312 274 T C -0.636 173.774 174.700 -0.484 0.000 1.151 274 T CA -0.486 61.380 62.100 -0.390 0.000 1.024 274 T CB 1.355 70.129 68.868 -0.156 0.000 1.140 274 T HN 0.860 9.100 8.240 -0.000 0.000 0.473 275 E N 1.732 121.786 120.200 -0.243 0.000 2.603 275 E HA 0.179 4.519 4.350 -0.016 0.000 0.211 275 E C -0.778 175.783 176.600 -0.065 0.000 0.995 275 E CA -0.381 55.937 56.400 -0.137 0.000 0.990 275 E CB 0.573 30.260 29.700 -0.022 0.000 1.036 275 E HN 0.504 8.864 8.360 -0.000 0.000 0.475 276 D N 1.739 122.098 120.400 -0.068 0.000 2.255 276 D HA 0.059 4.689 4.640 -0.016 0.000 0.249 276 D C 0.009 176.283 176.300 -0.044 0.000 1.078 276 D CA -0.033 53.938 54.000 -0.048 0.000 0.896 276 D CB 0.949 41.718 40.800 -0.052 0.000 1.194 276 D HN -0.005 8.365 8.370 -0.000 0.000 0.429 277 E N 1.654 121.836 120.200 -0.030 0.000 2.148 277 E HA 0.127 4.467 4.350 -0.016 0.000 0.308 277 E C 0.358 176.935 176.600 -0.039 0.000 1.278 277 E CA -0.147 56.246 56.400 -0.012 0.000 1.368 277 E CB -0.364 29.334 29.700 -0.004 0.000 1.229 277 E HN 0.433 8.793 8.360 -0.000 0.000 0.494 278 I N -1.607 118.909 120.570 -0.090 0.000 3.156 278 I HA 0.414 4.574 4.170 -0.016 0.000 0.306 278 I C 0.405 176.344 176.117 -0.295 0.000 1.048 278 I CA -0.976 60.185 61.300 -0.232 0.000 1.207 278 I CB 0.787 38.564 38.000 -0.372 0.000 1.456 278 I HN -0.064 8.146 8.210 -0.000 0.000 0.616 279 V N -0.237 119.411 119.914 -0.444 0.000 3.164 279 V HA 0.474 4.585 4.120 -0.016 0.000 0.313 279 V C 1.167 176.786 176.094 -0.792 0.000 1.188 279 V CA 0.042 62.080 62.300 -0.438 0.000 1.058 279 V CB 0.863 32.609 31.823 -0.129 0.000 1.110 279 V HN 1.027 9.217 8.190 -0.000 0.000 0.453 280 S N 0.806 116.234 115.700 -0.452 0.000 2.365 280 S HA -0.220 4.241 4.470 -0.016 0.000 0.225 280 S C 1.924 176.374 174.600 -0.250 0.000 1.039 280 S CA 2.138 60.170 58.200 -0.279 0.000 1.033 280 S CB -1.298 61.962 63.200 0.099 0.000 0.887 280 S HN 1.871 10.181 8.310 -0.000 0.000 0.447 281 S N 1.729 117.320 115.700 -0.181 0.000 2.469 281 S HA -0.102 4.358 4.470 -0.016 0.000 0.238 281 S C 1.196 175.699 174.600 -0.162 0.000 0.998 281 S CA 1.072 59.189 58.200 -0.138 0.000 0.957 281 S CB -0.618 62.524 63.200 -0.097 0.000 0.764 281 S HN 0.503 8.813 8.310 -0.000 0.000 0.514 282 D N 1.523 121.778 120.400 -0.242 0.000 2.347 282 D HA 0.010 4.640 4.640 -0.016 0.000 0.215 282 D C 1.843 178.012 176.300 -0.218 0.000 0.976 282 D CA 1.081 54.939 54.000 -0.236 0.000 0.884 282 D CB 0.231 40.846 40.800 -0.308 0.000 0.915 282 D HN 0.609 8.979 8.370 -0.000 0.000 0.526 283 V N -2.214 117.562 119.914 -0.230 0.000 3.621 283 V HA 0.159 4.270 4.120 -0.016 0.000 0.285 283 V C 0.787 176.844 176.094 -0.061 0.000 1.346 283 V CA -0.336 61.893 62.300 -0.118 0.000 1.104 283 V CB -0.110 31.675 31.823 -0.063 0.000 0.913 283 V HN -0.239 7.951 8.190 -0.000 0.000 0.432 284 V N 3.337 123.202 119.914 -0.082 0.000 2.506 284 V HA 0.431 4.542 4.120 -0.016 0.000 0.296 284 V C 1.721 177.791 176.094 -0.040 0.000 1.004 284 V CA 1.611 63.876 62.300 -0.058 0.000 1.150 284 V CB -0.550 31.235 31.823 -0.065 0.000 0.911 284 V HN 1.013 9.203 8.190 -0.000 0.000 0.476 285 G N 3.955 112.742 108.800 -0.023 0.000 2.175 285 G HA2 -0.257 3.693 3.960 -0.016 0.000 0.244 285 G HA3 -0.257 3.693 3.960 -0.016 0.000 0.244 285 G C 0.155 175.044 174.900 -0.019 0.000 0.982 285 G CA 0.192 45.280 45.100 -0.019 0.000 0.641 285 G HN 0.932 9.222 8.290 -0.000 0.000 0.527 286 M N 0.762 120.361 119.600 -0.003 0.000 2.241 286 M HA 0.621 5.092 4.480 -0.016 0.000 0.335 286 M C 1.385 177.687 176.300 0.004 0.000 1.122 286 M CA 0.893 56.190 55.300 -0.005 0.000 1.164 286 M CB 1.142 33.775 32.600 0.055 0.000 1.459 286 M HN 0.434 8.724 8.290 -0.000 0.000 0.461 287 T N -0.958 113.550 114.554 -0.076 0.000 3.054 287 T HA 0.252 4.592 4.350 -0.016 0.000 0.255 287 T C 0.116 174.813 174.700 -0.005 0.000 1.035 287 T CA -0.311 61.754 62.100 -0.059 0.000 0.941 287 T CB -0.543 68.258 68.868 -0.111 0.000 1.026 287 T HN 0.680 8.920 8.240 -0.000 0.000 0.533 288 Y N 1.466 121.820 120.300 0.091 0.000 2.597 288 Y HA 0.360 4.900 4.550 -0.016 0.000 0.336 288 Y C 2.043 178.042 175.900 0.165 0.000 1.216 288 Y CA -0.250 57.933 58.100 0.138 0.000 1.463 288 Y CB 0.577 39.138 38.460 0.168 0.000 1.303 288 Y HN 0.197 8.477 8.280 -0.000 0.000 0.576 289 G N 1.116 110.126 108.800 0.349 0.000 2.443 289 G HA2 -0.088 3.863 3.960 -0.016 0.000 0.219 289 G HA3 -0.088 3.863 3.960 -0.016 0.000 0.219 289 G C 0.225 175.295 174.900 0.283 0.000 1.131 289 G CA 0.849 46.111 45.100 0.270 0.000 0.775 289 G HN 0.456 8.746 8.290 -0.000 0.000 0.547 290 S N -1.359 114.555 115.700 0.356 0.000 2.543 290 S HA 0.523 4.984 4.470 -0.016 0.000 0.271 290 S C -2.022 172.811 174.600 0.389 0.000 1.148 290 S CA -0.689 57.731 58.200 0.367 0.000 0.914 290 S CB 1.543 64.933 63.200 0.316 0.000 1.096 290 S HN 0.270 8.580 8.310 -0.000 0.000 0.471 291 L N 5.276 126.709 121.223 0.350 0.000 2.345 291 L HA 0.637 4.967 4.340 -0.016 0.000 0.274 291 L C -0.988 176.024 176.870 0.236 0.000 0.999 291 L CA -0.467 54.489 54.840 0.194 0.000 0.849 291 L CB 0.676 42.857 42.059 0.203 0.000 1.220 291 L HN 0.703 8.933 8.230 -0.000 0.000 0.422 292 F N 4.161 124.118 119.950 0.012 0.000 2.538 292 F HA 0.267 4.784 4.527 -0.016 0.000 0.371 292 F C 0.307 176.060 175.800 -0.079 0.000 1.087 292 F CA 0.210 58.229 58.000 0.031 0.000 1.250 292 F CB 0.502 39.494 39.000 -0.014 0.000 1.110 292 F HN 0.595 8.895 8.300 -0.000 0.000 0.570 293 D N 5.325 125.285 120.400 -0.733 0.000 2.472 293 D HA 0.332 4.963 4.640 -0.016 0.000 0.234 293 D C 0.668 176.605 176.300 -0.606 0.000 1.088 293 D CA -0.051 53.682 54.000 -0.445 0.000 0.882 293 D CB 1.351 42.096 40.800 -0.091 0.000 1.037 293 D HN 0.665 9.035 8.370 -0.000 0.000 0.520 294 A N 2.691 125.269 122.820 -0.404 0.000 2.024 294 A HA -0.166 4.145 4.320 -0.016 0.000 0.220 294 A C 1.980 179.516 177.584 -0.079 0.000 1.164 294 A CA 2.052 54.026 52.037 -0.106 0.000 0.643 294 A CB -0.716 18.284 19.000 0.000 0.000 0.806 294 A HN 0.623 8.773 8.150 -0.000 0.000 0.451 295 T N -3.140 111.351 114.554 -0.105 0.000 3.072 295 T HA -0.035 4.306 4.350 -0.016 0.000 0.266 295 T C 1.450 176.115 174.700 -0.058 0.000 1.127 295 T CA 1.302 63.372 62.100 -0.049 0.000 1.107 295 T CB -0.190 68.662 68.868 -0.026 0.000 0.910 295 T HN 0.616 8.856 8.240 -0.000 0.000 0.513 296 Q N 0.789 120.517 119.800 -0.120 0.000 2.282 296 Q HA 0.145 4.476 4.340 -0.016 0.000 0.206 296 Q C -0.089 175.849 176.000 -0.104 0.000 0.878 296 Q CA -0.043 55.685 55.803 -0.125 0.000 0.944 296 Q CB 0.533 29.158 28.738 -0.188 0.000 1.100 296 Q HN 0.438 8.708 8.270 -0.000 0.000 0.509 297 T N 2.174 116.686 114.554 -0.071 0.000 2.853 297 T HA 0.182 4.523 4.350 -0.016 0.000 0.298 297 T C 0.031 174.730 174.700 -0.002 0.000 0.978 297 T CA 0.339 62.438 62.100 -0.000 0.000 1.152 297 T CB 0.552 69.481 68.868 0.102 0.000 0.914 297 T HN 0.064 8.304 8.240 -0.000 0.000 0.539 298 R N 1.984 122.478 120.500 -0.009 0.000 2.686 298 R HA 0.652 4.983 4.340 -0.016 0.000 0.286 298 R C -1.396 174.893 176.300 -0.018 0.000 0.969 298 R CA -0.795 55.297 56.100 -0.014 0.000 0.898 298 R CB 2.272 32.559 30.300 -0.021 0.000 1.183 298 R HN 0.374 8.644 8.270 -0.000 0.000 0.456 299 V N 3.684 123.586 119.914 -0.019 0.000 2.531 299 V HA 0.407 4.517 4.120 -0.016 0.000 0.301 299 V C -0.604 175.478 176.094 -0.021 0.000 1.034 299 V CA -0.831 61.452 62.300 -0.028 0.000 0.865 299 V CB 1.745 33.547 31.823 -0.035 0.000 0.995 299 V HN 0.701 8.891 8.190 -0.000 0.000 0.424 300 M N 4.688 124.274 119.600 -0.022 0.000 2.243 300 M HA 0.713 5.184 4.480 -0.016 0.000 0.324 300 M C -0.701 175.590 176.300 -0.016 0.000 1.031 300 M CA 0.414 55.704 55.300 -0.017 0.000 0.949 300 M CB 1.797 34.388 32.600 -0.016 0.000 1.615 300 M HN 0.537 8.827 8.290 -0.000 0.000 0.430 301 S N 3.707 119.400 115.700 -0.012 0.000 2.594 301 S HA 0.803 5.263 4.470 -0.016 0.000 0.296 301 S C -1.384 173.212 174.600 -0.006 0.000 1.124 301 S CA -0.774 57.420 58.200 -0.009 0.000 1.011 301 S CB 1.779 64.974 63.200 -0.009 0.000 1.016 301 S HN 0.575 8.885 8.310 -0.000 0.000 0.485 302 V N 3.149 123.059 119.914 -0.005 0.000 2.398 302 V HA 0.689 4.800 4.120 -0.016 0.000 0.282 302 V C 0.897 176.990 176.094 -0.003 0.000 1.014 302 V CA 0.280 62.578 62.300 -0.004 0.000 0.838 302 V CB 0.465 32.285 31.823 -0.004 0.000 1.018 302 V HN 1.244 9.434 8.190 -0.000 0.000 0.432 303 G N 5.304 114.103 108.800 -0.001 0.000 2.622 303 G HA2 -0.300 3.650 3.960 -0.016 0.000 0.307 303 G HA3 -0.300 3.650 3.960 -0.016 0.000 0.307 303 G C 0.321 175.221 174.900 0.000 0.000 1.226 303 G CA 0.741 45.841 45.100 -0.000 0.000 0.997 303 G HN 0.664 8.954 8.290 -0.000 0.000 0.551 304 D N 1.872 122.272 120.400 0.001 0.000 2.336 304 D HA 0.210 4.841 4.640 -0.016 0.000 0.229 304 D C 1.252 177.553 176.300 0.000 0.000 1.061 304 D CA 0.508 54.509 54.000 0.002 0.000 0.875 304 D CB 0.082 40.884 40.800 0.003 0.000 0.904 304 D HN 0.418 8.788 8.370 -0.000 0.000 0.525 305 R N 0.780 121.278 120.500 -0.002 0.000 2.393 305 R HA 0.403 4.734 4.340 -0.016 0.000 0.315 305 R C -0.256 176.039 176.300 -0.008 0.000 0.952 305 R CA -0.480 55.618 56.100 -0.004 0.000 0.842 305 R CB 1.815 32.113 30.300 -0.003 0.000 1.163 305 R HN -0.005 8.265 8.270 -0.000 0.000 0.450 306 Q N 2.973 122.766 119.800 -0.011 0.000 2.333 306 Q HA 0.429 4.760 4.340 -0.016 0.000 0.267 306 Q C -0.873 175.114 176.000 -0.022 0.000 1.012 306 Q CA -0.733 55.059 55.803 -0.019 0.000 0.824 306 Q CB 2.772 31.494 28.738 -0.028 0.000 1.290 306 Q HN 0.353 8.623 8.270 -0.000 0.000 0.449 307 L N 2.601 123.810 121.223 -0.023 0.000 2.307 307 L HA 0.562 4.893 4.340 -0.016 0.000 0.284 307 L C -0.837 176.013 176.870 -0.034 0.000 1.023 307 L CA -0.900 53.925 54.840 -0.025 0.000 0.810 307 L CB 1.762 43.809 42.059 -0.019 0.000 1.231 307 L HN 0.330 8.560 8.230 -0.000 0.000 0.423 308 V N 4.139 124.028 119.914 -0.042 0.000 2.495 308 V HA 0.424 4.534 4.120 -0.016 0.000 0.298 308 V C -0.229 175.847 176.094 -0.030 0.000 1.031 308 V CA -0.737 61.532 62.300 -0.051 0.000 0.871 308 V CB 1.979 33.744 31.823 -0.096 0.000 0.988 308 V HN 0.613 8.803 8.190 -0.000 0.000 0.432 309 K N 3.971 124.358 120.400 -0.022 0.000 2.345 309 K HA 0.824 5.135 4.320 -0.016 0.000 0.255 309 K C -1.221 175.377 176.600 -0.002 0.000 0.934 309 K CA -0.485 55.792 56.287 -0.016 0.000 0.801 309 K CB 2.153 34.636 32.500 -0.028 0.000 1.137 309 K HN 0.617 8.867 8.250 -0.000 0.000 0.424 310 V N -0.617 119.301 119.914 0.008 0.000 3.102 310 V HA 0.971 5.082 4.120 -0.016 0.000 0.312 310 V C -1.238 174.806 176.094 -0.084 0.000 1.135 310 V CA -0.975 61.334 62.300 0.016 0.000 1.022 310 V CB 1.577 33.546 31.823 0.244 0.000 1.056 310 V HN 0.873 9.063 8.190 -0.000 0.000 0.436 311 A N 1.321 123.997 122.820 -0.240 0.000 2.449 311 A HA 1.049 5.360 4.320 -0.016 0.000 0.302 311 A C -0.370 177.002 177.584 -0.353 0.000 1.048 311 A CA -0.228 51.631 52.037 -0.296 0.000 0.708 311 A CB 1.714 20.486 19.000 -0.380 0.000 1.274 311 A HN 2.514 10.664 8.150 -0.000 0.000 0.410 312 A N 1.030 123.723 122.820 -0.210 0.000 2.398 312 A HA 0.700 5.010 4.320 -0.016 0.000 0.301 312 A C -1.297 176.297 177.584 0.017 0.000 1.041 312 A CA -0.436 51.578 52.037 -0.038 0.000 0.711 312 A CB 0.574 19.688 19.000 0.189 0.000 1.240 312 A HN 0.837 8.987 8.150 -0.000 0.000 0.420 313 W N 0.874 122.259 121.300 0.141 0.000 2.359 313 W HA 0.626 5.276 4.660 -0.016 0.000 0.344 313 W C -0.292 176.426 176.519 0.331 0.000 1.170 313 W CA 0.464 57.910 57.345 0.168 0.000 1.296 313 W CB 1.014 30.506 29.460 0.053 0.000 1.197 313 W HN 0.708 8.888 8.180 -0.000 0.000 0.618 314 Y N -0.738 119.749 120.300 0.312 0.000 2.474 314 Y HA 0.252 4.793 4.550 -0.015 0.000 0.326 314 Y C -1.223 174.756 175.900 0.132 0.000 1.160 314 Y CA -2.309 55.910 58.100 0.198 0.000 1.056 314 Y CB 0.317 38.864 38.460 0.146 0.000 1.330 314 Y HN 0.319 8.599 8.280 -0.000 0.000 0.447 315 D N 2.870 123.348 120.400 0.130 0.000 2.359 315 D HA 0.074 4.705 4.640 -0.016 0.000 0.250 315 D C 0.664 176.992 176.300 0.048 0.000 1.264 315 D CA 0.267 54.270 54.000 0.005 0.000 0.911 315 D CB 0.321 41.140 40.800 0.031 0.000 1.056 315 D HN 0.825 9.195 8.370 -0.000 0.000 0.499 316 N N 2.707 121.323 118.700 -0.139 0.000 2.430 316 N HA -0.193 4.538 4.740 -0.016 0.000 0.186 316 N C 0.985 176.555 175.510 0.099 0.000 1.032 316 N CA 1.001 54.045 53.050 -0.010 0.000 0.893 316 N CB 0.146 38.454 38.487 -0.299 0.000 0.957 316 N HN 0.489 8.869 8.380 -0.000 0.000 0.442 317 E N -0.174 120.060 120.200 0.057 0.000 2.021 317 E HA -0.025 4.316 4.350 -0.016 0.000 0.191 317 E C 1.669 178.348 176.600 0.131 0.000 0.971 317 E CA 0.880 57.336 56.400 0.095 0.000 0.825 317 E CB -0.110 29.608 29.700 0.031 0.000 0.788 317 E HN 0.227 8.587 8.360 -0.000 0.000 0.460 318 M N 0.744 120.395 119.600 0.084 0.000 2.254 318 M HA -0.025 4.446 4.480 -0.016 0.000 0.265 318 M C 2.079 178.433 176.300 0.091 0.000 1.066 318 M CA 1.318 56.659 55.300 0.068 0.000 1.123 318 M CB 0.067 32.686 32.600 0.032 0.000 1.388 318 M HN -0.089 8.201 8.290 -0.000 0.000 0.425 319 S N -0.623 115.168 115.700 0.151 0.000 2.359 319 S HA -0.185 4.275 4.470 -0.016 0.000 0.224 319 S C 1.772 176.493 174.600 0.202 0.000 1.035 319 S CA 1.588 59.908 58.200 0.200 0.000 1.018 319 S CB -0.694 62.689 63.200 0.305 0.000 0.876 319 S HN 0.657 8.967 8.310 -0.000 0.000 0.448 320 Y N 2.527 122.902 120.300 0.126 0.000 2.163 320 Y HA -0.155 4.385 4.550 -0.016 0.000 0.288 320 Y C 2.603 178.543 175.900 0.067 0.000 1.136 320 Y CA 1.785 59.947 58.100 0.104 0.000 1.147 320 Y CB -1.118 37.413 38.460 0.117 0.000 0.987 320 Y HN 0.174 8.454 8.280 -0.000 0.000 0.509 321 T N 0.862 115.396 114.554 -0.034 0.000 2.665 321 T HA -0.266 4.075 4.350 -0.016 0.000 0.268 321 T C 2.115 176.733 174.700 -0.138 0.000 1.035 321 T CA 1.833 63.864 62.100 -0.114 0.000 1.151 321 T CB -0.910 67.958 68.868 0.000 0.000 0.862 321 T HN 0.486 8.726 8.240 -0.000 0.000 0.438 322 A N 1.271 124.045 122.820 -0.077 0.000 1.933 322 A HA -0.140 4.171 4.320 -0.016 0.000 0.218 322 A C 2.399 179.898 177.584 -0.142 0.000 1.175 322 A CA 1.176 53.156 52.037 -0.095 0.000 0.628 322 A CB -0.518 18.449 19.000 -0.055 0.000 0.814 322 A HN 0.333 8.483 8.150 -0.000 0.000 0.444 323 Q N -0.935 118.798 119.800 -0.113 0.000 2.061 323 Q HA -0.173 4.158 4.340 -0.016 0.000 0.204 323 Q C 2.122 178.014 176.000 -0.181 0.000 0.984 323 Q CA 1.543 57.285 55.803 -0.102 0.000 0.846 323 Q CB -0.574 28.158 28.738 -0.010 0.000 0.902 323 Q HN 0.598 8.868 8.270 -0.000 0.000 0.421 324 L N 0.062 121.112 121.223 -0.289 0.000 2.093 324 L HA -0.105 4.225 4.340 -0.016 0.000 0.208 324 L C 2.184 178.944 176.870 -0.185 0.000 1.085 324 L CA 1.130 55.806 54.840 -0.274 0.000 0.755 324 L CB -0.367 41.431 42.059 -0.435 0.000 0.904 324 L HN -0.062 8.168 8.230 -0.000 0.000 0.435 325 V N -0.396 119.404 119.914 -0.190 0.000 2.515 325 V HA -0.228 3.883 4.120 -0.016 0.000 0.250 325 V C 2.638 178.594 176.094 -0.230 0.000 1.058 325 V CA 1.674 63.873 62.300 -0.169 0.000 1.064 325 V CB -0.740 30.997 31.823 -0.144 0.000 0.675 325 V HN 0.432 8.622 8.190 -0.000 0.000 0.461 326 R N -0.335 119.948 120.500 -0.362 0.000 2.092 326 R HA -0.105 4.226 4.340 -0.016 0.000 0.231 326 R C 2.431 178.393 176.300 -0.564 0.000 1.119 326 R CA 1.797 57.469 56.100 -0.713 0.000 0.970 326 R CB -0.574 28.935 30.300 -1.319 0.000 0.864 326 R HN 0.459 8.729 8.270 -0.000 0.000 0.440 327 T N 1.739 116.168 114.554 -0.208 0.000 2.777 327 T HA -0.097 4.244 4.350 -0.016 0.000 0.266 327 T C 1.670 176.426 174.700 0.094 0.000 1.040 327 T CA 0.867 63.037 62.100 0.116 0.000 1.141 327 T CB -0.184 68.764 68.868 0.133 0.000 0.868 327 T HN 0.059 8.299 8.240 -0.000 0.000 0.444 328 L N 1.974 123.189 121.223 -0.012 0.000 1.990 328 L HA -0.030 4.300 4.340 -0.016 0.000 0.213 328 L C 2.589 179.455 176.870 -0.007 0.000 1.072 328 L CA 2.237 57.066 54.840 -0.019 0.000 0.755 328 L CB -1.293 40.727 42.059 -0.064 0.000 0.889 328 L HN 0.224 8.454 8.230 -0.000 0.000 0.432 329 A N -1.903 120.894 122.820 -0.039 0.000 1.933 329 A HA -0.269 4.042 4.320 -0.016 0.000 0.218 329 A C 2.297 179.910 177.584 0.047 0.000 1.175 329 A CA 1.816 53.836 52.037 -0.028 0.000 0.628 329 A CB -1.107 17.849 19.000 -0.074 0.000 0.814 329 A HN 0.675 8.825 8.150 -0.000 0.000 0.444 330 Y N -0.537 119.761 120.300 -0.003 0.000 2.206 330 Y HA -0.041 4.499 4.550 -0.016 0.000 0.292 330 Y C 1.992 177.940 175.900 0.080 0.000 1.123 330 Y CA 1.464 59.619 58.100 0.092 0.000 1.142 330 Y CB -0.259 38.355 38.460 0.256 0.000 1.006 330 Y HN 0.227 8.507 8.280 -0.000 0.000 0.518 331 L N 0.688 122.029 121.223 0.197 0.000 2.043 331 L HA -0.178 4.152 4.340 -0.016 0.000 0.212 331 L C 2.277 179.137 176.870 -0.016 0.000 1.075 331 L CA 2.293 57.187 54.840 0.090 0.000 0.752 331 L CB -1.101 41.023 42.059 0.108 0.000 0.891 331 L HN 0.284 8.514 8.230 -0.000 0.000 0.432 332 A N -1.713 121.091 122.820 -0.026 0.000 2.169 332 A HA -0.056 4.255 4.320 -0.016 0.000 0.212 332 A C 1.994 179.531 177.584 -0.078 0.000 1.153 332 A CA 0.854 52.861 52.037 -0.050 0.000 0.756 332 A CB -0.451 18.521 19.000 -0.048 0.000 0.813 332 A HN 0.590 8.740 8.150 -0.000 0.000 0.471 333 E N -0.859 119.268 120.200 -0.122 0.000 2.478 333 E HA 0.154 4.495 4.350 -0.016 0.000 0.194 333 E C -0.536 175.963 176.600 -0.169 0.000 1.045 333 E CA 0.008 56.323 56.400 -0.142 0.000 0.868 333 E CB 0.021 29.636 29.700 -0.141 0.000 0.885 333 E HN 0.595 8.955 8.360 -0.000 0.000 0.505 334 L N 0.000 121.114 121.223 -0.182 0.000 2.949 334 L HA 0.000 4.331 4.340 -0.016 0.000 0.249 334 L CA 0.000 54.756 54.840 -0.140 0.000 0.813 334 L CB 0.000 41.951 42.059 -0.180 0.000 0.961 334 L HN 0.000 8.230 8.230 -0.000 0.000 0.502