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 3qfh_1_D DATA FIRST_RESID 28 DATA SEQUENCE SEELYYSVEY KNTATFNKLV KKKSLNVVYN IPELHVAQIK MTKMHANALA DATA SEQUENCE NYKNDIKYIN ATCSTCITXX XXIDRTSNES LFSRQWDMNK ITNNGASYDD DATA SEQUENCE LPKHANTKIA IIDTGVMKNH DDLKNNFSTD SKNLVPLNGF RGTEPEETGD DATA SEQUENCE VHDVNDRKGH GTMVSGQTSA NGKLIGVAPN NKFTMYRVFG SKKTELLWVS DATA SEQUENCE KAIVQAANDG NQVINISVGS YIILDKNDHQ TFRKDEKVEY DALQKAINYA DATA SEQUENCE KKKKSIVVAA AGNDGIDVND KQKLKLQREY QGNGEVKDVP ASMDNVVTVG DATA SEQUENCE STDQKSNLSE FSNFGMNYTD IAAPGGSFAY LNQFGVDKWM NEGYMHKENI DATA SEQUENCE LTTANNGRYI YQAGTSLATP KVSGALALII DKYHLEKHPD KAIELLYQHG DATA SEQUENCE TSKNNKPFSR YGHGELDVYK ALNVANQKAS 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 28 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 28 S C 0.000 174.611 174.600 0.018 0.000 1.055 28 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 28 S CB 0.000 63.203 63.200 0.004 0.000 0.593 29 E N 2.163 122.380 120.200 0.028 0.000 2.354 29 E HA 0.397 4.748 4.350 0.002 0.000 0.269 29 E C -0.719 175.916 176.600 0.058 0.000 1.036 29 E CA -0.242 56.183 56.400 0.041 0.000 0.876 29 E CB 0.623 30.349 29.700 0.043 0.000 1.009 29 E HN 0.249 8.609 8.360 -0.000 0.000 0.416 30 E N 2.936 123.167 120.200 0.052 0.000 2.174 30 E HA 0.292 4.643 4.350 0.002 0.000 0.282 30 E C -0.485 176.136 176.600 0.034 0.000 0.992 30 E CA -0.449 55.983 56.400 0.053 0.000 0.803 30 E CB 1.159 30.863 29.700 0.007 0.000 1.090 30 E HN 0.402 8.762 8.360 -0.000 0.000 0.396 31 L N 2.397 123.661 121.223 0.068 0.000 2.313 31 L HA 0.448 4.789 4.340 0.002 0.000 0.268 31 L C -0.655 176.130 176.870 -0.141 0.000 1.010 31 L CA -1.221 53.605 54.840 -0.023 0.000 0.814 31 L CB 0.761 42.740 42.059 -0.132 0.000 1.304 31 L HN 0.492 8.722 8.230 -0.000 0.000 0.441 32 Y N 0.320 120.479 120.300 -0.236 0.000 2.365 32 Y HA 0.346 4.897 4.550 0.002 0.000 0.340 32 Y C -0.631 175.063 175.900 -0.343 0.000 1.016 32 Y CA 0.006 58.001 58.100 -0.176 0.000 1.196 32 Y CB 0.407 38.763 38.460 -0.174 0.000 1.167 32 Y HN 0.193 8.473 8.280 -0.000 0.000 0.509 33 Y N 0.578 120.939 120.300 0.103 0.000 2.393 33 Y HA 0.455 5.006 4.550 0.002 0.000 0.341 33 Y C 0.083 176.028 175.900 0.074 0.000 0.988 33 Y CA -0.896 57.242 58.100 0.064 0.000 1.078 33 Y CB 1.888 40.379 38.460 0.051 0.000 1.203 33 Y HN 0.401 8.681 8.280 -0.000 0.000 0.453 34 S N 2.376 118.181 115.700 0.175 0.000 2.480 34 S HA 0.686 5.158 4.470 0.002 0.000 0.286 34 S C -0.788 173.894 174.600 0.136 0.000 1.180 34 S CA -0.722 57.557 58.200 0.132 0.000 1.075 34 S CB 0.996 64.232 63.200 0.061 0.000 0.996 34 S HN 0.353 8.663 8.310 -0.000 0.000 0.487 35 V N 2.831 122.836 119.914 0.152 0.000 2.638 35 V HA 0.418 4.539 4.120 0.002 0.000 0.306 35 V C -0.276 175.882 176.094 0.106 0.000 1.052 35 V CA -0.784 61.607 62.300 0.152 0.000 0.885 35 V CB 1.844 33.798 31.823 0.219 0.000 0.999 35 V HN 0.893 9.083 8.190 -0.000 0.000 0.424 36 E N 3.981 124.236 120.200 0.092 0.000 2.109 36 E HA 0.519 4.870 4.350 0.002 0.000 0.278 36 E C -1.385 175.207 176.600 -0.013 0.000 0.954 36 E CA -0.564 55.831 56.400 -0.009 0.000 0.779 36 E CB 1.006 30.762 29.700 0.093 0.000 1.093 36 E HN 0.693 9.053 8.360 -0.000 0.000 0.401 37 Y N 2.178 122.403 120.300 -0.124 0.000 2.534 37 Y HA 0.490 5.041 4.550 0.002 0.000 0.329 37 Y C 0.574 176.450 175.900 -0.041 0.000 1.154 37 Y CA -1.016 57.014 58.100 -0.117 0.000 1.192 37 Y CB 1.039 39.268 38.460 -0.386 0.000 1.275 37 Y HN 0.279 8.559 8.280 -0.000 0.000 0.491 38 K N 0.286 120.797 120.400 0.185 0.000 2.211 38 K HA 0.067 4.388 4.320 0.002 0.000 0.201 38 K C -0.061 176.605 176.600 0.109 0.000 1.052 38 K CA 0.584 56.901 56.287 0.050 0.000 0.973 38 K CB 0.277 32.799 32.500 0.037 0.000 0.766 38 K HN 0.764 9.014 8.250 -0.000 0.000 0.466 39 N N -0.455 118.450 118.700 0.341 0.000 2.371 39 N HA 0.058 4.799 4.740 0.002 0.000 0.280 39 N C -0.105 175.667 175.510 0.436 0.000 1.084 39 N CA -0.100 53.157 53.050 0.344 0.000 0.892 39 N CB 1.915 40.515 38.487 0.188 0.000 1.653 39 N HN -0.251 8.129 8.380 -0.000 0.000 0.480 40 T N 1.690 116.484 114.554 0.400 0.000 2.652 40 T HA -0.127 4.224 4.350 0.002 0.000 0.267 40 T C 1.872 176.666 174.700 0.157 0.000 1.039 40 T CA 2.031 64.290 62.100 0.264 0.000 1.153 40 T CB -0.348 68.617 68.868 0.161 0.000 0.863 40 T HN 0.691 8.931 8.240 -0.000 0.000 0.428 41 A N 1.806 124.701 122.820 0.124 0.000 1.883 41 A HA -0.168 4.153 4.320 0.002 0.000 0.217 41 A C 2.647 180.263 177.584 0.053 0.000 1.186 41 A CA 2.538 54.617 52.037 0.069 0.000 0.624 41 A CB -1.357 17.678 19.000 0.059 0.000 0.822 41 A HN 0.664 8.814 8.150 -0.000 0.000 0.444 42 T N -3.638 110.971 114.554 0.091 0.000 2.904 42 T HA -0.094 4.257 4.350 0.002 0.000 0.267 42 T C 1.703 176.437 174.700 0.057 0.000 1.059 42 T CA 1.325 63.467 62.100 0.071 0.000 1.137 42 T CB -0.462 68.465 68.868 0.099 0.000 0.879 42 T HN 0.300 8.540 8.240 -0.000 0.000 0.467 43 F N 3.393 123.296 119.950 -0.078 0.000 2.102 43 F HA -0.018 4.511 4.527 0.002 0.000 0.298 43 F C 1.999 177.664 175.800 -0.225 0.000 1.105 43 F CA 1.224 59.092 58.000 -0.220 0.000 1.239 43 F CB -0.626 38.028 39.000 -0.576 0.000 0.991 43 F HN 0.048 8.348 8.300 -0.000 0.000 0.474 44 N N 0.865 119.446 118.700 -0.198 0.000 2.104 44 N HA -0.184 4.557 4.740 0.002 0.000 0.190 44 N C 1.779 177.140 175.510 -0.250 0.000 1.024 44 N CA 1.636 54.536 53.050 -0.250 0.000 0.853 44 N CB -0.460 37.967 38.487 -0.100 0.000 1.008 44 N HN 0.368 8.748 8.380 -0.000 0.000 0.424 45 K N 0.234 120.534 120.400 -0.166 0.000 2.057 45 K HA -0.078 4.243 4.320 0.002 0.000 0.207 45 K C 1.897 178.375 176.600 -0.203 0.000 1.049 45 K CA 0.607 56.808 56.287 -0.143 0.000 0.931 45 K CB -0.239 32.213 32.500 -0.080 0.000 0.714 45 K HN 0.019 8.269 8.250 -0.000 0.000 0.440 46 L N 0.957 122.025 121.223 -0.258 0.000 2.046 46 L HA -0.150 4.191 4.340 0.002 0.000 0.208 46 L C 1.992 178.623 176.870 -0.398 0.000 1.077 46 L CA 1.431 56.076 54.840 -0.325 0.000 0.747 46 L CB -0.340 41.530 42.059 -0.314 0.000 0.896 46 L HN -0.083 8.147 8.230 -0.000 0.000 0.432 47 V N -0.170 119.427 119.914 -0.528 0.000 2.287 47 V HA -0.356 3.765 4.120 0.002 0.000 0.248 47 V C 2.615 178.529 176.094 -0.300 0.000 1.053 47 V CA 2.160 64.170 62.300 -0.483 0.000 1.027 47 V CB -0.648 30.822 31.823 -0.588 0.000 0.646 47 V HN 0.473 8.663 8.190 -0.000 0.000 0.447 48 K N -0.089 120.162 120.400 -0.248 0.000 2.025 48 K HA -0.211 4.111 4.320 0.002 0.000 0.207 48 K C 2.314 178.816 176.600 -0.162 0.000 1.049 48 K CA 1.532 57.715 56.287 -0.174 0.000 0.933 48 K CB -0.289 32.129 32.500 -0.136 0.000 0.714 48 K HN 0.367 8.617 8.250 -0.000 0.000 0.438 49 K N 1.363 121.658 120.400 -0.175 0.000 2.020 49 K HA -0.174 4.147 4.320 0.002 0.000 0.212 49 K C 1.521 178.016 176.600 -0.174 0.000 1.050 49 K CA 1.485 57.678 56.287 -0.156 0.000 0.929 49 K CB 0.143 32.543 32.500 -0.166 0.000 0.714 49 K HN -0.093 8.157 8.250 -0.000 0.000 0.443 50 K N 0.643 120.906 120.400 -0.229 0.000 2.444 50 K HA 0.073 4.394 4.320 0.002 0.000 0.193 50 K C 0.120 176.588 176.600 -0.219 0.000 1.024 50 K CA 0.238 56.381 56.287 -0.239 0.000 1.077 50 K CB 0.461 32.785 32.500 -0.293 0.000 0.833 50 K HN 0.162 8.412 8.250 -0.000 0.000 0.517 51 S N 1.160 116.748 115.700 -0.186 0.000 3.631 51 S HA -0.148 4.324 4.470 0.002 0.000 0.366 51 S C 0.118 174.624 174.600 -0.156 0.000 0.993 51 S CA 0.224 58.332 58.200 -0.154 0.000 1.167 51 S CB -1.674 61.450 63.200 -0.126 0.000 0.909 51 S HN 0.294 8.604 8.310 -0.000 0.000 0.478 52 L N 1.264 122.379 121.223 -0.180 0.000 2.380 52 L HA 0.311 4.652 4.340 0.002 0.000 0.273 52 L C 0.822 177.630 176.870 -0.104 0.000 1.138 52 L CA -0.400 54.351 54.840 -0.148 0.000 0.832 52 L CB 0.347 42.298 42.059 -0.180 0.000 1.124 52 L HN 0.205 8.435 8.230 -0.000 0.000 0.454 53 N N 2.874 121.537 118.700 -0.062 0.000 2.602 53 N HA 0.139 4.880 4.740 0.002 0.000 0.238 53 N C -0.861 174.648 175.510 -0.001 0.000 1.084 53 N CA -0.327 52.701 53.050 -0.037 0.000 0.952 53 N CB 0.575 39.040 38.487 -0.037 0.000 1.244 53 N HN 0.281 8.661 8.380 -0.000 0.000 0.512 54 V N 3.995 123.917 119.914 0.013 0.000 2.439 54 V HA 0.022 4.144 4.120 0.002 0.000 0.271 54 V C 1.524 177.680 176.094 0.104 0.000 1.040 54 V CA -0.208 62.142 62.300 0.085 0.000 1.002 54 V CB 0.819 32.697 31.823 0.091 0.000 1.000 54 V HN 0.583 8.773 8.190 -0.000 0.000 0.477 55 V N 2.437 122.451 119.914 0.166 0.000 3.643 55 V HA 0.452 4.573 4.120 0.002 0.000 0.280 55 V C -0.022 176.282 176.094 0.349 0.000 1.351 55 V CA 0.275 62.708 62.300 0.221 0.000 1.073 55 V CB -0.594 31.382 31.823 0.255 0.000 0.863 55 V HN 0.659 8.849 8.190 -0.000 0.000 0.436 56 Y N 0.433 120.828 120.300 0.159 0.000 2.573 56 Y HA 0.657 5.208 4.550 0.002 0.000 0.328 56 Y C -1.298 174.691 175.900 0.149 0.000 1.170 56 Y CA -0.896 57.297 58.100 0.155 0.000 1.078 56 Y CB 1.796 40.396 38.460 0.234 0.000 1.341 56 Y HN 0.220 8.500 8.280 -0.000 0.000 0.459 57 N N 3.734 122.402 118.700 -0.054 0.000 2.371 57 N HA 0.526 5.267 4.740 0.002 0.000 0.280 57 N C -2.010 173.466 175.510 -0.057 0.000 1.084 57 N CA -0.443 52.632 53.050 0.042 0.000 0.892 57 N CB 1.610 40.128 38.487 0.053 0.000 1.653 57 N HN 0.572 8.952 8.380 -0.000 0.000 0.480 58 I N 4.381 124.960 120.570 0.015 0.000 2.537 58 I HA 0.312 4.483 4.170 0.002 0.000 0.276 58 I C -1.668 174.389 176.117 -0.099 0.000 1.063 58 I CA -1.958 59.310 61.300 -0.055 0.000 1.144 58 I CB 1.804 39.788 38.000 -0.027 0.000 1.252 58 I HN 0.369 8.579 8.210 -0.000 0.000 0.480 59 P HA -0.184 4.236 4.420 -0.000 0.000 0.215 59 P C 1.108 178.235 177.300 -0.289 0.000 1.157 59 P CA 1.498 64.510 63.100 -0.148 0.000 0.874 59 P CB 0.334 31.975 31.700 -0.099 0.000 0.790 60 E N -0.793 119.271 120.200 -0.228 0.000 2.209 60 E HA -0.108 4.243 4.350 0.002 0.000 0.196 60 E C 1.632 178.136 176.600 -0.159 0.000 0.993 60 E CA 0.922 57.188 56.400 -0.223 0.000 0.819 60 E CB -0.702 28.751 29.700 -0.412 0.000 0.745 60 E HN 0.296 8.656 8.360 -0.000 0.000 0.477 61 L N -1.105 120.010 121.223 -0.179 0.000 2.640 61 L HA 0.226 4.567 4.340 0.002 0.000 0.230 61 L C -0.327 176.482 176.870 -0.102 0.000 1.123 61 L CA -0.202 54.582 54.840 -0.093 0.000 0.900 61 L CB -0.252 41.742 42.059 -0.109 0.000 1.146 61 L HN 0.173 8.403 8.230 -0.000 0.000 0.484 62 H N -0.681 118.149 119.070 -0.400 0.000 2.770 62 H HA -0.114 4.443 4.556 0.002 0.000 0.309 62 H C -0.367 174.250 175.328 -1.186 0.000 1.206 62 H CA 0.705 56.152 56.048 -1.000 0.000 1.147 62 H CB -1.603 27.694 29.762 -0.775 0.000 1.422 62 H HN 0.249 8.529 8.280 -0.000 0.000 0.420 63 V N -3.072 116.544 119.914 -0.497 0.000 2.823 63 V HA 1.012 5.133 4.120 0.002 0.000 0.312 63 V C 0.093 176.236 176.094 0.081 0.000 1.072 63 V CA -0.376 61.811 62.300 -0.189 0.000 0.937 63 V CB 2.640 34.430 31.823 -0.055 0.000 1.013 63 V HN 0.575 8.765 8.190 -0.000 0.000 0.430 64 A N 2.753 125.671 122.820 0.165 0.000 2.594 64 A HA 0.848 5.169 4.320 0.002 0.000 0.291 64 A C -1.103 176.635 177.584 0.256 0.000 1.105 64 A CA -0.745 51.443 52.037 0.251 0.000 0.694 64 A CB 2.183 21.354 19.000 0.285 0.000 1.291 64 A HN 1.066 9.216 8.150 -0.000 0.000 0.410 65 Q N 0.458 120.438 119.800 0.300 0.000 2.353 65 Q HA 0.755 5.096 4.340 0.002 0.000 0.268 65 Q C -1.768 174.386 176.000 0.258 0.000 1.045 65 Q CA -0.494 55.477 55.803 0.279 0.000 0.811 65 Q CB 1.378 30.301 28.738 0.309 0.000 1.305 65 Q HN 0.671 8.941 8.270 -0.000 0.000 0.447 66 I N 2.804 123.505 120.570 0.219 0.000 2.582 66 I HA 0.386 4.557 4.170 0.002 0.000 0.292 66 I C -0.757 175.395 176.117 0.059 0.000 1.066 66 I CA -0.885 60.502 61.300 0.146 0.000 1.053 66 I CB 2.242 40.342 38.000 0.167 0.000 1.241 66 I HN 0.454 8.664 8.210 -0.000 0.000 0.421 67 K N 8.351 128.697 120.400 -0.090 0.000 2.264 67 K HA 0.719 5.040 4.320 0.002 0.000 0.277 67 K C -0.954 175.625 176.600 -0.036 0.000 1.067 67 K CA -0.341 55.794 56.287 -0.253 0.000 0.900 67 K CB 0.773 32.985 32.500 -0.481 0.000 1.124 67 K HN 0.725 8.975 8.250 -0.000 0.000 0.469 68 M N 0.448 120.110 119.600 0.103 0.000 2.773 68 M HA 0.290 4.771 4.480 0.002 0.000 0.270 68 M C -0.457 175.985 176.300 0.236 0.000 1.238 68 M CA -1.027 54.367 55.300 0.156 0.000 0.832 68 M CB 1.425 34.105 32.600 0.133 0.000 1.672 68 M HN 0.436 8.726 8.290 -0.000 0.000 0.480 69 T N -1.654 113.009 114.554 0.181 0.000 2.813 69 T HA 0.261 4.612 4.350 0.002 0.000 0.297 69 T C 0.726 175.502 174.700 0.125 0.000 1.036 69 T CA -0.150 62.020 62.100 0.117 0.000 1.044 69 T CB 1.456 70.294 68.868 -0.051 0.000 0.993 69 T HN 0.948 9.188 8.240 -0.000 0.000 0.535 70 K N 0.346 120.831 120.400 0.142 0.000 2.057 70 K HA -0.077 4.244 4.320 0.002 0.000 0.207 70 K C 2.368 178.954 176.600 -0.024 0.000 1.049 70 K CA 1.372 57.741 56.287 0.136 0.000 0.931 70 K CB -0.282 32.307 32.500 0.148 0.000 0.714 70 K HN 0.700 8.950 8.250 -0.000 0.000 0.440 71 M N -0.581 118.966 119.600 -0.087 0.000 2.117 71 M HA -0.187 4.295 4.480 0.002 0.000 0.262 71 M C 1.879 178.132 176.300 -0.079 0.000 1.065 71 M CA 1.795 57.019 55.300 -0.127 0.000 1.114 71 M CB -0.470 32.017 32.600 -0.188 0.000 1.361 71 M HN 0.333 8.623 8.290 -0.000 0.000 0.408 72 H N -0.535 118.524 119.070 -0.019 0.000 2.457 72 H HA 0.007 4.564 4.556 0.002 0.000 0.294 72 H C 2.204 177.501 175.328 -0.052 0.000 1.064 72 H CA 0.806 56.839 56.048 -0.025 0.000 1.330 72 H CB 0.030 29.777 29.762 -0.025 0.000 1.395 72 H HN 0.437 8.717 8.280 -0.000 0.000 0.541 73 A N 1.283 124.085 122.820 -0.030 0.000 1.873 73 A HA -0.214 4.107 4.320 0.002 0.000 0.215 73 A C 1.991 179.640 177.584 0.109 0.000 1.186 73 A CA 1.905 53.842 52.037 -0.167 0.000 0.616 73 A CB -0.550 17.956 19.000 -0.823 0.000 0.823 73 A HN 0.431 8.581 8.150 -0.000 0.000 0.442 74 N N 0.194 118.911 118.700 0.028 0.000 2.166 74 N HA -0.040 4.701 4.740 0.002 0.000 0.186 74 N C 1.803 177.349 175.510 0.060 0.000 1.019 74 N CA 1.359 54.375 53.050 -0.058 0.000 0.856 74 N CB -0.266 38.065 38.487 -0.260 0.000 0.993 74 N HN 0.490 8.870 8.380 -0.000 0.000 0.426 75 A N 0.444 123.314 122.820 0.083 0.000 1.930 75 A HA -0.045 4.276 4.320 0.002 0.000 0.217 75 A C 2.063 179.791 177.584 0.240 0.000 1.175 75 A CA 0.823 52.945 52.037 0.141 0.000 0.627 75 A CB -0.578 18.520 19.000 0.163 0.000 0.815 75 A HN 0.254 8.404 8.150 -0.000 0.000 0.443 76 L N -0.314 121.032 121.223 0.206 0.000 2.141 76 L HA -0.016 4.325 4.340 0.002 0.000 0.209 76 L C 2.598 179.638 176.870 0.284 0.000 1.094 76 L CA 1.783 56.756 54.840 0.222 0.000 0.763 76 L CB -0.498 41.618 42.059 0.096 0.000 0.908 76 L HN 0.334 8.564 8.230 -0.000 0.000 0.437 77 A N -0.699 122.276 122.820 0.258 0.000 2.125 77 A HA -0.175 4.146 4.320 0.002 0.000 0.219 77 A C 1.862 179.563 177.584 0.194 0.000 1.156 77 A CA 1.555 53.746 52.037 0.257 0.000 0.671 77 A CB -0.698 18.527 19.000 0.374 0.000 0.794 77 A HN 0.589 8.739 8.150 -0.000 0.000 0.459 78 N N -1.109 117.690 118.700 0.166 0.000 2.494 78 N HA -0.034 4.708 4.740 0.002 0.000 0.182 78 N C -0.494 174.975 175.510 -0.068 0.000 1.076 78 N CA 0.528 53.593 53.050 0.025 0.000 0.908 78 N CB -0.300 38.149 38.487 -0.063 0.000 0.967 78 N HN 0.614 8.994 8.380 -0.000 0.000 0.449 79 Y N 1.253 121.584 120.300 0.051 0.000 2.667 79 Y HA 0.152 4.703 4.550 0.002 0.000 0.340 79 Y C 1.316 177.244 175.900 0.047 0.000 1.303 79 Y CA -0.255 57.871 58.100 0.044 0.000 1.769 79 Y CB 0.086 38.572 38.460 0.044 0.000 1.804 79 Y HN -0.151 8.129 8.280 -0.000 0.000 0.451 80 K N 0.137 120.588 120.400 0.085 0.000 2.362 80 K HA -0.138 4.183 4.320 0.002 0.000 0.200 80 K C 1.165 177.799 176.600 0.057 0.000 1.046 80 K CA 0.751 57.073 56.287 0.058 0.000 0.952 80 K CB 0.132 32.643 32.500 0.018 0.000 0.753 80 K HN 0.492 8.742 8.250 -0.000 0.000 0.466 81 N N 0.937 119.685 118.700 0.079 0.000 2.409 81 N HA -0.086 4.655 4.740 0.002 0.000 0.179 81 N C 0.646 176.216 175.510 0.100 0.000 1.032 81 N CA 1.087 54.181 53.050 0.074 0.000 0.898 81 N CB 0.183 38.715 38.487 0.075 0.000 0.971 81 N HN 0.214 8.594 8.380 -0.000 0.000 0.441 82 D N -0.575 119.914 120.400 0.149 0.000 2.431 82 D HA 0.138 4.780 4.640 0.002 0.000 0.227 82 D C 0.221 176.644 176.300 0.206 0.000 1.030 82 D CA 0.163 54.272 54.000 0.182 0.000 0.897 82 D CB 1.163 42.080 40.800 0.195 0.000 1.058 82 D HN 0.047 8.417 8.370 -0.000 0.000 0.500 83 I N 1.500 122.175 120.570 0.175 0.000 2.378 83 I HA 0.204 4.375 4.170 0.002 0.000 0.291 83 I C 1.240 177.374 176.117 0.029 0.000 0.992 83 I CA -0.395 60.995 61.300 0.150 0.000 1.154 83 I CB 2.300 40.411 38.000 0.185 0.000 1.315 83 I HN -0.189 8.021 8.210 -0.000 0.000 0.448 84 K N 4.755 125.117 120.400 -0.063 0.000 2.141 84 K HA 0.091 4.413 4.320 0.002 0.000 0.202 84 K C -0.622 175.683 176.600 -0.492 0.000 1.045 84 K CA 1.070 57.155 56.287 -0.336 0.000 0.971 84 K CB 0.515 32.778 32.500 -0.396 0.000 0.795 84 K HN 0.457 8.707 8.250 -0.000 0.000 0.459 85 Y N -0.763 119.566 120.300 0.049 0.000 2.609 85 Y HA 0.480 5.031 4.550 0.002 0.000 0.336 85 Y C -1.007 174.894 175.900 0.002 0.000 1.129 85 Y CA -1.210 56.905 58.100 0.024 0.000 1.040 85 Y CB 1.654 40.118 38.460 0.007 0.000 1.310 85 Y HN -0.073 8.207 8.280 -0.000 0.000 0.460 86 I N 3.410 124.049 120.570 0.116 0.000 2.680 86 I HA 0.495 4.666 4.170 0.002 0.000 0.291 86 I C -2.018 173.929 176.117 -0.284 0.000 1.244 86 I CA -0.374 60.891 61.300 -0.057 0.000 1.042 86 I CB 1.620 39.559 38.000 -0.102 0.000 1.277 86 I HN 0.902 9.112 8.210 -0.000 0.000 0.423 87 N N 5.874 124.476 118.700 -0.164 0.000 2.494 87 N HA 0.544 5.285 4.740 0.002 0.000 0.270 87 N C -1.162 174.356 175.510 0.013 0.000 1.285 87 N CA -0.808 52.127 53.050 -0.192 0.000 0.812 87 N CB 2.090 40.506 38.487 -0.120 0.000 1.557 87 N HN 0.589 8.969 8.380 -0.000 0.000 0.487 88 A N 0.701 123.532 122.820 0.018 0.000 2.520 88 A HA 0.248 4.569 4.320 0.002 0.000 0.245 88 A C 1.177 178.693 177.584 -0.114 0.000 1.072 88 A CA 0.031 51.969 52.037 -0.165 0.000 0.761 88 A CB -0.181 18.729 19.000 -0.150 0.000 1.004 88 A HN 0.720 8.870 8.150 -0.000 0.000 0.499 89 T N 1.488 115.960 114.554 -0.136 0.000 2.881 89 T HA -0.147 4.204 4.350 0.002 0.000 0.270 89 T C 1.645 176.286 174.700 -0.097 0.000 1.068 89 T CA 1.073 63.116 62.100 -0.095 0.000 1.131 89 T CB -1.034 67.775 68.868 -0.099 0.000 0.871 89 T HN 1.163 9.403 8.240 -0.000 0.000 0.479 90 C N 0.457 119.686 119.300 -0.120 0.000 5.885 90 C HA -0.318 4.143 4.460 0.002 0.000 0.328 90 C C 1.898 176.867 174.990 -0.036 0.000 2.433 90 C CA 1.505 60.476 59.018 -0.077 0.000 2.197 90 C CB -1.542 26.175 27.740 -0.038 0.000 3.236 90 C HN 0.581 8.811 8.230 -0.000 0.000 0.260 91 S N 0.362 116.057 115.700 -0.007 0.000 2.477 91 S HA 0.526 4.997 4.470 0.002 0.000 0.261 91 S C -0.052 174.566 174.600 0.029 0.000 1.197 91 S CA 0.564 58.775 58.200 0.017 0.000 1.015 91 S CB 0.807 64.023 63.200 0.026 0.000 1.077 91 S HN 1.244 9.554 8.310 -0.000 0.000 0.505 92 T N -1.569 113.003 114.554 0.031 0.000 2.881 92 T HA 0.469 4.820 4.350 0.002 0.000 0.291 92 T C 0.352 175.057 174.700 0.007 0.000 0.990 92 T CA -0.921 61.190 62.100 0.018 0.000 0.976 92 T CB 0.482 69.355 68.868 0.008 0.000 0.970 92 T HN 0.722 8.962 8.240 -0.000 0.000 0.438 93 C N 2.331 121.628 119.300 -0.005 0.000 2.935 93 C HA 0.492 4.954 4.460 0.002 0.000 0.308 93 C C 1.013 176.020 174.990 0.027 0.000 1.263 93 C CA -0.721 58.311 59.018 0.024 0.000 1.738 93 C CB -0.708 27.041 27.740 0.015 0.000 2.237 93 C HN 0.771 9.001 8.230 -0.000 0.000 0.600 94 I N 3.257 123.811 120.570 -0.027 0.000 2.696 94 I HA 0.162 4.333 4.170 0.002 0.000 0.284 94 I C 0.881 177.001 176.117 0.005 0.000 1.129 94 I CA 0.917 62.201 61.300 -0.026 0.000 1.410 94 I CB 0.620 38.587 38.000 -0.055 0.000 1.399 94 I HN 0.290 8.500 8.210 -0.000 0.000 0.579 101 D N 5.228 125.512 120.400 -0.194 0.000 2.359 101 D HA 0.371 5.012 4.640 0.002 0.000 0.230 101 D C 0.732 176.904 176.300 -0.214 0.000 1.118 101 D CA -0.147 53.755 54.000 -0.162 0.000 0.844 101 D CB 1.248 41.991 40.800 -0.095 0.000 1.059 101 D HN 0.417 8.787 8.370 -0.000 0.000 0.493 102 R N 1.369 121.727 120.500 -0.238 0.000 2.307 102 R HA 0.094 4.435 4.340 0.002 0.000 0.200 102 R C 1.534 177.822 176.300 -0.019 0.000 0.893 102 R CA 0.760 56.708 56.100 -0.254 0.000 1.042 102 R CB 0.591 30.610 30.300 -0.470 0.000 1.059 102 R HN 0.517 8.787 8.270 -0.000 0.000 0.530 103 T N -2.480 112.056 114.554 -0.029 0.000 2.999 103 T HA 0.075 4.426 4.350 0.002 0.000 0.247 103 T C 1.130 175.831 174.700 0.002 0.000 1.012 103 T CA 0.087 62.192 62.100 0.009 0.000 1.048 103 T CB 0.043 68.912 68.868 0.002 0.000 1.020 103 T HN 0.086 8.326 8.240 -0.000 0.000 0.478 104 S N 2.330 118.021 115.700 -0.015 0.000 2.580 104 S HA 0.074 4.545 4.470 0.002 0.000 0.261 104 S C 1.104 175.697 174.600 -0.011 0.000 1.366 104 S CA -0.255 57.937 58.200 -0.014 0.000 0.996 104 S CB 0.082 63.270 63.200 -0.020 0.000 0.902 104 S HN 0.309 8.619 8.310 -0.000 0.000 0.566 105 N N 1.596 120.290 118.700 -0.011 0.000 2.192 105 N HA -0.107 4.634 4.740 0.002 0.000 0.188 105 N C 1.296 176.795 175.510 -0.018 0.000 1.013 105 N CA 1.436 54.478 53.050 -0.013 0.000 0.863 105 N CB -0.455 38.025 38.487 -0.011 0.000 0.990 105 N HN 0.672 9.052 8.380 -0.000 0.000 0.430 106 E N 0.064 120.252 120.200 -0.019 0.000 2.442 106 E HA 0.054 4.405 4.350 0.002 0.000 0.195 106 E C 0.373 176.950 176.600 -0.039 0.000 1.030 106 E CA 0.001 56.386 56.400 -0.024 0.000 0.869 106 E CB -0.130 29.561 29.700 -0.015 0.000 0.857 106 E HN 0.083 8.443 8.360 -0.000 0.000 0.505 107 S N 0.531 116.212 115.700 -0.032 0.000 2.549 107 S HA 0.168 4.640 4.470 0.002 0.000 0.279 107 S C 0.917 175.488 174.600 -0.049 0.000 1.321 107 S CA -0.338 57.843 58.200 -0.031 0.000 1.054 107 S CB 0.395 63.595 63.200 -0.001 0.000 0.899 107 S HN 0.117 8.427 8.310 -0.000 0.000 0.497 108 L N 5.041 126.211 121.223 -0.090 0.000 2.640 108 L HA 0.238 4.579 4.340 0.002 0.000 0.230 108 L C 1.475 178.290 176.870 -0.091 0.000 1.123 108 L CA -0.016 54.734 54.840 -0.151 0.000 0.900 108 L CB -0.305 41.558 42.059 -0.327 0.000 1.146 108 L HN 0.732 8.962 8.230 -0.000 0.000 0.484 109 F N 1.691 121.560 119.950 -0.137 0.000 2.161 109 F HA -0.283 4.244 4.527 0.000 0.000 0.300 109 F C 2.676 178.440 175.800 -0.059 0.000 1.089 109 F CA 1.801 59.737 58.000 -0.107 0.000 1.282 109 F CB -0.045 38.889 39.000 -0.109 0.000 1.010 109 F HN 0.184 8.484 8.300 -0.000 0.000 0.485 110 S N -0.044 115.618 115.700 -0.063 0.000 2.474 110 S HA -0.151 4.320 4.470 0.002 0.000 0.235 110 S C 1.900 176.422 174.600 -0.130 0.000 0.997 110 S CA 0.834 58.972 58.200 -0.103 0.000 0.949 110 S CB -0.641 62.562 63.200 0.005 0.000 0.766 110 S HN 0.526 8.836 8.310 -0.000 0.000 0.517 111 R N 0.880 121.298 120.500 -0.136 0.000 2.276 111 R HA 0.180 4.521 4.340 0.002 0.000 0.196 111 R C 0.499 176.734 176.300 -0.108 0.000 0.961 111 R CA 0.313 56.366 56.100 -0.078 0.000 1.024 111 R CB -0.058 30.188 30.300 -0.091 0.000 0.940 111 R HN 0.561 8.831 8.270 -0.000 0.000 0.480 112 Q N 1.600 121.223 119.800 -0.295 0.000 2.837 112 Q HA -0.023 4.318 4.340 0.002 0.000 0.235 112 Q C 0.540 176.305 176.000 -0.391 0.000 1.348 112 Q CA -0.273 55.288 55.803 -0.404 0.000 0.990 112 Q CB 0.102 28.574 28.738 -0.442 0.000 1.570 112 Q HN 0.494 8.764 8.270 -0.000 0.000 0.575 113 W N 3.070 124.291 121.300 -0.131 0.000 2.363 113 W HA -0.188 4.472 4.660 0.001 0.000 0.296 113 W C 0.772 177.253 176.519 -0.064 0.000 1.212 113 W CA 1.356 58.646 57.345 -0.092 0.000 1.260 113 W CB -0.473 28.976 29.460 -0.020 0.000 1.131 113 W HN 0.470 8.650 8.180 -0.000 0.000 0.530 114 D N 1.209 121.091 120.400 -0.864 0.000 2.144 114 D HA -0.245 4.397 4.640 0.002 0.000 0.200 114 D C 1.926 178.077 176.300 -0.249 0.000 0.978 114 D CA 1.400 54.981 54.000 -0.698 0.000 0.833 114 D CB -0.805 39.321 40.800 -1.123 0.000 0.961 114 D HN 0.146 8.516 8.370 -0.000 0.000 0.470 115 M N 0.880 120.326 119.600 -0.258 0.000 2.236 115 M HA 0.008 4.489 4.480 0.002 0.000 0.266 115 M C 1.672 177.990 176.300 0.031 0.000 1.070 115 M CA 0.917 56.182 55.300 -0.058 0.000 1.137 115 M CB -0.429 32.164 32.600 -0.010 0.000 1.378 115 M HN -0.081 8.209 8.290 -0.000 0.000 0.426 116 N N -0.147 118.479 118.700 -0.123 0.000 2.166 116 N HA -0.188 4.553 4.740 0.002 0.000 0.186 116 N C 1.654 177.212 175.510 0.080 0.000 1.019 116 N CA 1.142 54.187 53.050 -0.007 0.000 0.856 116 N CB -0.183 38.241 38.487 -0.105 0.000 0.993 116 N HN 0.226 8.606 8.380 -0.000 0.000 0.426 117 K N 2.202 122.657 120.400 0.092 0.000 2.097 117 K HA -0.053 4.268 4.320 0.002 0.000 0.206 117 K C 1.889 178.543 176.600 0.091 0.000 1.049 117 K CA 0.908 57.265 56.287 0.116 0.000 0.933 117 K CB -0.314 32.299 32.500 0.188 0.000 0.717 117 K HN 0.399 8.649 8.250 -0.000 0.000 0.442 118 I N -2.206 118.415 120.570 0.084 0.000 3.793 118 I HA 0.159 4.330 4.170 0.002 0.000 0.315 118 I C 0.606 176.770 176.117 0.080 0.000 1.275 118 I CA 0.819 62.166 61.300 0.078 0.000 1.214 118 I CB -0.005 38.033 38.000 0.063 0.000 1.018 118 I HN 0.084 8.294 8.210 -0.000 0.000 0.439 119 T N -3.189 111.420 114.554 0.092 0.000 3.182 119 T HA 0.298 4.649 4.350 0.002 0.000 0.277 119 T C 0.310 175.060 174.700 0.084 0.000 1.013 119 T CA -0.432 61.715 62.100 0.077 0.000 0.900 119 T CB -0.507 68.391 68.868 0.050 0.000 1.098 119 T HN 0.324 8.564 8.240 -0.000 0.000 0.543 120 N N 3.068 121.780 118.700 0.019 0.000 2.727 120 N HA -0.164 4.577 4.740 0.002 0.000 0.251 120 N C -0.565 174.940 175.510 -0.008 0.000 1.040 120 N CA 0.810 53.789 53.050 -0.119 0.000 0.712 120 N CB -1.866 36.297 38.487 -0.540 0.000 0.912 120 N HN 0.549 8.929 8.380 -0.000 0.000 0.545 121 N N -1.521 117.236 118.700 0.096 0.000 2.727 121 N HA -0.209 4.532 4.740 0.002 0.000 0.249 121 N C 1.106 176.820 175.510 0.339 0.000 1.048 121 N CA 2.168 55.329 53.050 0.186 0.000 0.714 121 N CB -1.410 37.139 38.487 0.103 0.000 0.959 121 N HN 1.017 9.397 8.380 -0.000 0.000 0.544 122 G N -1.886 107.175 108.800 0.435 0.000 2.199 122 G HA2 -0.291 3.670 3.960 0.002 0.000 0.254 122 G HA3 -0.291 3.670 3.960 0.002 0.000 0.254 122 G C 1.142 176.186 174.900 0.239 0.000 0.982 122 G CA 1.024 46.379 45.100 0.424 0.000 0.632 122 G HN 1.081 9.371 8.290 -0.000 0.000 0.529 123 A N 0.975 123.884 122.820 0.148 0.000 1.972 123 A HA 0.169 4.490 4.320 0.002 0.000 0.219 123 A C 2.676 180.375 177.584 0.191 0.000 1.169 123 A CA 2.739 54.855 52.037 0.131 0.000 0.635 123 A CB -0.766 18.256 19.000 0.036 0.000 0.810 123 A HN 1.763 9.913 8.150 -0.000 0.000 0.446 124 S N -1.420 114.383 115.700 0.171 0.000 2.474 124 S HA -0.165 4.306 4.470 0.002 0.000 0.235 124 S C 1.602 176.127 174.600 -0.125 0.000 0.997 124 S CA 1.157 59.391 58.200 0.056 0.000 0.949 124 S CB -0.846 62.346 63.200 -0.013 0.000 0.766 124 S HN 0.573 8.883 8.310 -0.000 0.000 0.517 125 Y N 2.235 122.547 120.300 0.019 0.000 2.574 125 Y HA 0.052 4.602 4.550 0.001 0.000 0.294 125 Y C 1.711 177.587 175.900 -0.040 0.000 1.142 125 Y CA 0.662 58.736 58.100 -0.043 0.000 1.314 125 Y CB -0.357 38.029 38.460 -0.123 0.000 0.991 125 Y HN 0.316 8.596 8.280 -0.000 0.000 0.555 126 D N -0.659 119.799 120.400 0.096 0.000 2.348 126 D HA -0.065 4.576 4.640 0.002 0.000 0.211 126 D C 0.494 176.802 176.300 0.013 0.000 0.998 126 D CA 0.727 54.758 54.000 0.051 0.000 0.873 126 D CB 0.002 40.835 40.800 0.055 0.000 0.925 126 D HN 0.407 8.777 8.370 -0.000 0.000 0.524 127 D N 0.361 120.753 120.400 -0.013 0.000 2.388 127 D HA 0.107 4.748 4.640 0.002 0.000 0.221 127 D C 0.564 176.808 176.300 -0.093 0.000 1.133 127 D CA -0.092 53.868 54.000 -0.067 0.000 0.831 127 D CB 0.810 41.541 40.800 -0.116 0.000 0.962 127 D HN 0.177 8.547 8.370 -0.000 0.000 0.502 128 L N 2.505 123.693 121.223 -0.058 0.000 2.380 128 L HA 0.244 4.585 4.340 0.002 0.000 0.273 128 L C -1.717 175.108 176.870 -0.076 0.000 1.138 128 L CA -1.564 53.238 54.840 -0.064 0.000 0.832 128 L CB 0.171 42.226 42.059 -0.007 0.000 1.124 128 L HN -0.218 8.012 8.230 -0.000 0.000 0.454 129 P HA 0.055 4.475 4.420 -0.000 0.000 0.269 129 P C -0.108 177.155 177.300 -0.060 0.000 1.209 129 P CA -0.398 62.649 63.100 -0.088 0.000 0.776 129 P CB 0.829 32.459 31.700 -0.116 0.000 0.876 130 K N 0.824 121.183 120.400 -0.068 0.000 2.097 130 K HA -0.089 4.232 4.320 0.002 0.000 0.205 130 K C 0.359 176.795 176.600 -0.274 0.000 1.050 130 K CA 1.352 57.533 56.287 -0.177 0.000 0.938 130 K CB -0.488 31.863 32.500 -0.249 0.000 0.718 130 K HN 0.647 8.897 8.250 -0.000 0.000 0.442 131 H N -0.583 118.488 119.070 0.002 0.000 2.556 131 H HA 0.358 4.915 4.556 0.002 0.000 0.310 131 H C -0.569 174.758 175.328 -0.001 0.000 1.057 131 H CA -0.286 55.767 56.048 0.009 0.000 1.264 131 H CB 1.279 31.059 29.762 0.029 0.000 1.404 131 H HN 0.061 8.341 8.280 -0.000 0.000 0.462 132 A N 3.346 126.216 122.820 0.083 0.000 3.056 132 A HA 0.173 4.494 4.320 0.002 0.000 0.328 132 A C 0.459 178.079 177.584 0.060 0.000 1.233 132 A CA -0.662 51.406 52.037 0.052 0.000 0.965 132 A CB -0.170 18.849 19.000 0.032 0.000 1.123 132 A HN 0.731 8.881 8.150 -0.000 0.000 0.502 133 N N 0.174 118.916 118.700 0.069 0.000 2.415 133 N HA -0.020 4.721 4.740 0.002 0.000 0.176 133 N C 0.282 175.814 175.510 0.038 0.000 1.042 133 N CA 0.621 53.704 53.050 0.054 0.000 0.902 133 N CB 0.098 38.618 38.487 0.054 0.000 0.986 133 N HN 0.479 8.859 8.380 -0.000 0.000 0.447 134 T N 2.507 117.083 114.554 0.037 0.000 2.867 134 T HA 0.068 4.419 4.350 0.002 0.000 0.297 134 T C 0.423 175.149 174.700 0.043 0.000 0.989 134 T CA 0.342 62.462 62.100 0.034 0.000 1.159 134 T CB 0.585 69.472 68.868 0.030 0.000 0.928 134 T HN 0.015 8.255 8.240 -0.000 0.000 0.538 135 K N 3.545 123.971 120.400 0.043 0.000 2.183 135 K HA 0.446 4.768 4.320 0.002 0.000 0.274 135 K C -0.335 176.314 176.600 0.082 0.000 1.009 135 K CA -0.492 55.827 56.287 0.054 0.000 0.888 135 K CB 1.382 33.905 32.500 0.037 0.000 1.078 135 K HN 0.520 8.770 8.250 -0.000 0.000 0.459 136 I N 2.592 123.232 120.570 0.116 0.000 2.321 136 I HA 0.213 4.384 4.170 0.002 0.000 0.291 136 I C 0.077 176.311 176.117 0.195 0.000 0.998 136 I CA -0.598 60.786 61.300 0.140 0.000 1.227 136 I CB 1.572 39.658 38.000 0.144 0.000 1.368 136 I HN 0.617 8.827 8.210 -0.000 0.000 0.466 137 A N 8.071 131.009 122.820 0.196 0.000 2.309 137 A HA 0.766 5.088 4.320 0.002 0.000 0.298 137 A C -0.408 177.335 177.584 0.265 0.000 1.165 137 A CA -0.328 51.886 52.037 0.295 0.000 0.821 137 A CB 0.342 19.509 19.000 0.278 0.000 1.102 137 A HN 0.705 8.855 8.150 -0.000 0.000 0.500 138 I N 3.092 123.861 120.570 0.331 0.000 2.418 138 I HA 0.304 4.475 4.170 0.002 0.000 0.287 138 I C -0.733 175.576 176.117 0.319 0.000 1.008 138 I CA -0.171 61.284 61.300 0.258 0.000 1.104 138 I CB 1.720 39.839 38.000 0.199 0.000 1.264 138 I HN 0.499 8.709 8.210 -0.000 0.000 0.438 139 I N 6.103 126.829 120.570 0.259 0.000 2.306 139 I HA 0.363 4.534 4.170 0.002 0.000 0.288 139 I C -0.219 176.064 176.117 0.277 0.000 1.036 139 I CA 0.224 61.689 61.300 0.274 0.000 1.221 139 I CB 0.555 38.668 38.000 0.189 0.000 1.385 139 I HN 0.650 8.860 8.210 -0.000 0.000 0.472 140 D N 2.323 122.915 120.400 0.321 0.000 3.376 140 D HA 0.068 4.709 4.640 0.002 0.000 0.344 140 D C 0.824 177.371 176.300 0.412 0.000 1.428 140 D CA -0.012 54.199 54.000 0.351 0.000 0.949 140 D CB 1.430 42.386 40.800 0.260 0.000 1.451 140 D HN 0.409 8.779 8.370 -0.000 0.000 0.578 141 T N -1.249 113.455 114.554 0.250 0.000 3.160 141 T HA 0.443 4.794 4.350 0.002 0.000 0.257 141 T C 0.986 175.804 174.700 0.197 0.000 1.147 141 T CA 1.274 63.493 62.100 0.198 0.000 1.064 141 T CB -0.037 68.778 68.868 -0.089 0.000 0.949 141 T HN 0.822 9.062 8.240 -0.000 0.000 0.526 142 G N -0.402 108.512 108.800 0.190 0.000 2.384 142 G HA2 0.277 4.239 3.960 0.002 0.000 0.668 142 G HA3 0.277 4.239 3.960 0.002 0.000 0.668 142 G C -1.421 173.565 174.900 0.142 0.000 1.280 142 G CA -0.446 44.753 45.100 0.165 0.000 0.992 142 G HN 0.989 9.279 8.290 -0.000 0.000 0.512 143 V N 0.398 120.396 119.914 0.140 0.000 3.012 143 V HA 0.770 4.891 4.120 0.002 0.000 0.307 143 V C -0.003 176.118 176.094 0.046 0.000 1.166 143 V CA -0.357 62.018 62.300 0.124 0.000 0.974 143 V CB 2.001 33.999 31.823 0.292 0.000 1.040 143 V HN 1.279 9.469 8.190 -0.000 0.000 0.428 144 M N 6.163 125.776 119.600 0.021 0.000 2.383 144 M HA 0.282 4.763 4.480 0.002 0.000 0.337 144 M C 1.258 177.520 176.300 -0.063 0.000 1.422 144 M CA -0.200 55.090 55.300 -0.016 0.000 1.333 144 M CB 0.277 32.893 32.600 0.027 0.000 1.488 144 M HN 0.809 9.099 8.290 -0.000 0.000 0.454 145 K N 2.515 122.761 120.400 -0.256 0.000 2.362 145 K HA -0.106 4.215 4.320 0.002 0.000 0.200 145 K C 0.395 176.804 176.600 -0.319 0.000 1.046 145 K CA 1.274 57.209 56.287 -0.588 0.000 0.952 145 K CB -0.211 31.472 32.500 -1.363 0.000 0.753 145 K HN 0.671 8.921 8.250 -0.000 0.000 0.466 146 N N 0.485 119.088 118.700 -0.161 0.000 2.238 146 N HA -0.070 4.671 4.740 0.002 0.000 0.222 146 N C -0.387 175.107 175.510 -0.028 0.000 1.133 146 N CA -0.378 52.620 53.050 -0.087 0.000 0.854 146 N CB -0.404 38.026 38.487 -0.095 0.000 1.041 146 N HN 0.200 8.580 8.380 -0.000 0.000 0.510 147 H N 1.849 120.873 119.070 -0.076 0.000 2.964 147 H HA 0.025 4.582 4.556 0.002 0.000 0.328 147 H C 0.149 175.456 175.328 -0.034 0.000 1.030 147 H CA 0.451 56.456 56.048 -0.072 0.000 1.445 147 H CB 0.994 30.709 29.762 -0.077 0.000 1.449 147 H HN 0.038 8.318 8.280 -0.000 0.000 0.581 148 D N 3.614 123.964 120.400 -0.084 0.000 2.158 148 D HA -0.167 4.474 4.640 0.002 0.000 0.197 148 D C 0.991 177.409 176.300 0.197 0.000 0.995 148 D CA 1.310 55.336 54.000 0.044 0.000 0.846 148 D CB 0.153 40.933 40.800 -0.033 0.000 0.941 148 D HN 0.637 9.007 8.370 -0.000 0.000 0.456 149 D N -0.663 119.997 120.400 0.433 0.000 2.323 149 D HA 0.042 4.683 4.640 0.002 0.000 0.209 149 D C 1.939 178.339 176.300 0.168 0.000 0.973 149 D CA 0.232 54.388 54.000 0.260 0.000 0.874 149 D CB 0.227 41.176 40.800 0.249 0.000 0.930 149 D HN 0.273 8.643 8.370 -0.000 0.000 0.521 150 L N 0.243 121.585 121.223 0.199 0.000 2.609 150 L HA 0.139 4.481 4.340 0.002 0.000 0.230 150 L C 2.172 179.220 176.870 0.297 0.000 1.087 150 L CA -0.019 54.966 54.840 0.243 0.000 0.874 150 L CB 0.070 42.259 42.059 0.216 0.000 1.114 150 L HN -0.044 8.186 8.230 -0.000 0.000 0.488 151 K N 0.062 120.577 120.400 0.192 0.000 2.103 151 K HA -0.162 4.159 4.320 0.002 0.000 0.207 151 K C 1.326 178.012 176.600 0.144 0.000 1.048 151 K CA 1.670 58.038 56.287 0.134 0.000 0.930 151 K CB -0.296 32.242 32.500 0.064 0.000 0.716 151 K HN 0.205 8.455 8.250 -0.000 0.000 0.444 152 N N 0.985 119.761 118.700 0.126 0.000 2.331 152 N HA -0.064 4.677 4.740 0.002 0.000 0.180 152 N C 0.829 176.396 175.510 0.096 0.000 1.019 152 N CA 0.910 54.016 53.050 0.093 0.000 0.881 152 N CB -0.182 38.347 38.487 0.070 0.000 0.972 152 N HN 0.350 8.730 8.380 -0.000 0.000 0.435 153 N N -0.067 118.726 118.700 0.154 0.000 2.299 153 N HA 0.006 4.747 4.740 0.002 0.000 0.187 153 N C -0.146 175.306 175.510 -0.096 0.000 1.099 153 N CA -0.211 52.922 53.050 0.138 0.000 0.867 153 N CB 0.013 38.687 38.487 0.310 0.000 0.974 153 N HN 0.184 8.564 8.380 -0.000 0.000 0.477 154 F N 1.705 121.479 119.950 -0.294 0.000 2.538 154 F HA 0.115 4.643 4.527 0.002 0.000 0.371 154 F C 0.809 176.332 175.800 -0.463 0.000 1.087 154 F CA -0.247 57.337 58.000 -0.693 0.000 1.250 154 F CB 0.659 39.466 39.000 -0.322 0.000 1.110 154 F HN -0.228 8.072 8.300 -0.000 0.000 0.570 155 S N 3.525 118.430 115.700 -1.325 0.000 2.508 155 S HA 0.198 4.669 4.470 0.002 0.000 0.284 155 S C 1.114 175.061 174.600 -1.088 0.000 1.192 155 S CA -0.129 57.533 58.200 -0.896 0.000 1.070 155 S CB 1.190 64.046 63.200 -0.573 0.000 1.004 155 S HN 0.874 9.184 8.310 -0.000 0.000 0.493 156 T N 1.053 115.288 114.554 -0.532 0.000 3.051 156 T HA -0.031 4.321 4.350 0.002 0.000 0.269 156 T C 0.632 175.205 174.700 -0.211 0.000 1.127 156 T CA 0.916 62.847 62.100 -0.281 0.000 1.107 156 T CB -0.347 68.459 68.868 -0.103 0.000 0.898 156 T HN 0.574 8.814 8.240 -0.000 0.000 0.517 157 D N 1.709 121.951 120.400 -0.263 0.000 2.363 157 D HA 0.110 4.751 4.640 0.002 0.000 0.226 157 D C 0.440 176.578 176.300 -0.270 0.000 1.020 157 D CA 0.181 54.075 54.000 -0.175 0.000 0.892 157 D CB -0.209 40.517 40.800 -0.124 0.000 0.900 157 D HN 0.376 8.746 8.370 -0.000 0.000 0.531 158 S N 0.861 116.321 115.700 -0.401 0.000 2.552 158 S HA 0.129 4.600 4.470 0.002 0.000 0.289 158 S C 0.512 174.955 174.600 -0.262 0.000 1.304 158 S CA 0.217 58.151 58.200 -0.443 0.000 1.063 158 S CB 1.025 64.022 63.200 -0.337 0.000 0.848 158 S HN 0.068 8.378 8.310 -0.000 0.000 0.499 159 K N 1.691 121.891 120.400 -0.334 0.000 2.477 159 K HA 0.361 4.682 4.320 0.002 0.000 0.255 159 K C -0.868 175.728 176.600 -0.008 0.000 0.952 159 K CA -0.930 55.287 56.287 -0.117 0.000 0.826 159 K CB 1.299 33.799 32.500 -0.001 0.000 1.331 159 K HN 0.458 8.708 8.250 -0.000 0.000 0.437 160 N N 2.379 121.076 118.700 -0.005 0.000 2.422 160 N HA 0.154 4.895 4.740 0.002 0.000 0.266 160 N C -0.101 175.417 175.510 0.014 0.000 1.007 160 N CA -0.371 52.693 53.050 0.023 0.000 0.941 160 N CB 0.682 39.169 38.487 0.001 0.000 1.115 160 N HN 0.482 8.862 8.380 -0.000 0.000 0.492 161 L N 2.876 124.124 121.223 0.042 0.000 2.640 161 L HA 0.281 4.622 4.340 0.002 0.000 0.230 161 L C -0.099 176.665 176.870 -0.177 0.000 1.123 161 L CA 0.154 55.008 54.840 0.023 0.000 0.900 161 L CB -0.170 41.975 42.059 0.142 0.000 1.146 161 L HN 0.386 8.616 8.230 -0.000 0.000 0.484 162 V N 3.559 123.311 119.914 -0.269 0.000 2.470 162 V HA 0.169 4.290 4.120 0.002 0.000 0.276 162 V C -1.687 174.152 176.094 -0.425 0.000 1.040 162 V CA -1.018 60.916 62.300 -0.611 0.000 1.008 162 V CB 0.747 32.372 31.823 -0.330 0.000 0.990 162 V HN 0.132 8.322 8.190 -0.000 0.000 0.477 163 P HA 0.176 4.596 4.420 -0.000 0.000 0.276 163 P C -0.320 176.921 177.300 -0.098 0.000 1.252 163 P CA -0.742 62.256 63.100 -0.171 0.000 0.802 163 P CB 0.890 32.579 31.700 -0.018 0.000 1.035 164 L N 2.464 123.671 121.223 -0.027 0.000 2.615 164 L HA -0.061 4.280 4.340 0.002 0.000 0.284 164 L C 0.748 177.637 176.870 0.032 0.000 1.237 164 L CA 1.207 56.050 54.840 0.005 0.000 0.905 164 L CB -1.204 40.866 42.059 0.018 0.000 1.149 164 L HN 0.461 8.691 8.230 -0.000 0.000 0.499 165 N N 2.375 121.099 118.700 0.039 0.000 2.909 165 N HA -0.181 4.560 4.740 0.002 0.000 0.242 165 N C 0.753 176.317 175.510 0.090 0.000 0.975 165 N CA 1.240 54.330 53.050 0.067 0.000 0.921 165 N CB -1.951 36.584 38.487 0.081 0.000 1.112 165 N HN 1.382 9.762 8.380 -0.000 0.000 0.581 166 G N 0.803 109.643 108.800 0.066 0.000 2.582 166 G HA2 -0.354 3.607 3.960 0.002 0.000 0.300 166 G HA3 -0.354 3.607 3.960 0.002 0.000 0.300 166 G C -0.000 175.096 174.900 0.328 0.000 1.300 166 G CA 0.342 45.526 45.100 0.140 0.000 0.959 166 G HN 0.465 8.755 8.290 -0.000 0.000 0.548 167 F N 3.386 123.530 119.950 0.324 0.000 2.546 167 F HA 0.348 4.877 4.527 0.002 0.000 0.388 167 F C 1.714 177.484 175.800 -0.050 0.000 1.051 167 F CA 0.700 58.808 58.000 0.179 0.000 1.130 167 F CB 0.074 39.106 39.000 0.053 0.000 1.044 167 F HN 0.543 8.843 8.300 -0.000 0.000 0.553 168 R N 3.837 123.863 120.500 -0.790 0.000 3.416 168 R HA -0.209 4.132 4.340 0.002 0.000 0.263 168 R C 1.105 177.234 176.300 -0.284 0.000 1.053 168 R CA 0.760 56.238 56.100 -1.036 0.000 0.705 168 R CB -2.606 27.059 30.300 -1.058 0.000 1.124 168 R HN 1.376 9.646 8.270 -0.000 0.000 0.444 169 G N -0.920 107.861 108.800 -0.031 0.000 2.200 169 G HA2 -0.423 3.538 3.960 0.002 0.000 0.267 169 G HA3 -0.423 3.538 3.960 0.002 0.000 0.267 169 G C 0.649 175.601 174.900 0.087 0.000 0.993 169 G CA 1.544 46.709 45.100 0.108 0.000 0.701 169 G HN 0.797 9.087 8.290 -0.000 0.000 0.524 170 T N -2.704 111.895 114.554 0.075 0.000 3.206 170 T HA 0.460 4.811 4.350 0.002 0.000 0.253 170 T C 0.439 175.204 174.700 0.108 0.000 1.042 170 T CA 0.497 62.653 62.100 0.093 0.000 0.931 170 T CB 0.268 69.197 68.868 0.103 0.000 1.029 170 T HN 0.472 8.712 8.240 -0.000 0.000 0.564 171 E N 1.728 121.995 120.200 0.111 0.000 3.037 171 E HA 0.215 4.566 4.350 0.002 0.000 0.220 171 E C -2.319 174.328 176.600 0.079 0.000 1.142 171 E CA -2.118 54.345 56.400 0.104 0.000 0.888 171 E CB 1.668 31.447 29.700 0.132 0.000 1.329 171 E HN 0.198 8.558 8.360 -0.000 0.000 0.409 172 P HA -0.250 4.170 4.420 -0.000 0.000 0.219 172 P C 1.401 178.729 177.300 0.047 0.000 1.146 172 P CA 1.080 64.213 63.100 0.054 0.000 0.808 172 P CB 0.252 31.982 31.700 0.048 0.000 0.779 173 E N -0.032 120.198 120.200 0.050 0.000 2.268 173 E HA -0.139 4.212 4.350 0.002 0.000 0.195 173 E C 0.221 176.846 176.600 0.042 0.000 0.995 173 E CA 1.040 57.466 56.400 0.044 0.000 0.836 173 E CB -0.775 28.952 29.700 0.046 0.000 0.763 173 E HN 0.242 8.602 8.360 -0.000 0.000 0.491 174 E N 1.888 122.115 120.200 0.046 0.000 2.166 174 E HA 0.050 4.401 4.350 0.002 0.000 0.279 174 E C 0.705 177.317 176.600 0.020 0.000 1.095 174 E CA 0.375 56.794 56.400 0.032 0.000 0.888 174 E CB 1.248 30.965 29.700 0.029 0.000 1.041 174 E HN 0.333 8.693 8.360 -0.000 0.000 0.414 175 T N -0.423 114.141 114.554 0.016 0.000 3.067 175 T HA 0.140 4.491 4.350 0.002 0.000 0.257 175 T C 1.365 176.066 174.700 0.002 0.000 1.105 175 T CA 0.378 62.486 62.100 0.014 0.000 1.104 175 T CB 0.175 69.054 68.868 0.019 0.000 0.925 175 T HN 0.585 8.825 8.240 -0.000 0.000 0.498 176 G N 1.810 110.601 108.800 -0.015 0.000 2.143 176 G HA2 -0.245 3.716 3.960 0.002 0.000 0.249 176 G HA3 -0.245 3.716 3.960 0.002 0.000 0.249 176 G C -0.197 174.689 174.900 -0.024 0.000 0.981 176 G CA 0.048 45.128 45.100 -0.032 0.000 0.665 176 G HN 0.809 9.099 8.290 -0.000 0.000 0.528 177 D N 0.798 121.197 120.400 -0.001 0.000 2.412 177 D HA 0.293 4.934 4.640 0.002 0.000 0.257 177 D C 1.986 178.279 176.300 -0.010 0.000 1.217 177 D CA 0.497 54.509 54.000 0.020 0.000 0.897 177 D CB 1.088 41.919 40.800 0.050 0.000 1.132 177 D HN 0.760 9.130 8.370 -0.000 0.000 0.493 178 V N 2.452 122.322 119.914 -0.074 0.000 2.720 178 V HA -0.179 3.942 4.120 0.002 0.000 0.256 178 V C 1.161 177.086 176.094 -0.282 0.000 1.082 178 V CA 1.487 63.662 62.300 -0.208 0.000 1.101 178 V CB -1.086 30.540 31.823 -0.327 0.000 0.693 178 V HN 0.588 8.778 8.190 -0.000 0.000 0.479 179 H N -0.498 118.582 119.070 0.017 0.000 2.551 179 H HA 0.303 4.860 4.556 0.002 0.000 0.271 179 H C 0.468 175.821 175.328 0.042 0.000 0.984 179 H CA 0.341 56.406 56.048 0.028 0.000 1.164 179 H CB 0.165 29.943 29.762 0.026 0.000 1.437 179 H HN 0.424 8.704 8.280 -0.000 0.000 0.550 180 D N 1.654 122.121 120.400 0.113 0.000 2.435 180 D HA -0.003 4.638 4.640 0.002 0.000 0.230 180 D C 0.766 177.114 176.300 0.080 0.000 1.215 180 D CA -0.218 53.833 54.000 0.086 0.000 0.947 180 D CB 0.529 41.365 40.800 0.061 0.000 1.048 180 D HN 0.221 8.591 8.370 -0.000 0.000 0.512 181 V N 0.931 120.905 119.914 0.100 0.000 3.121 181 V HA 0.347 4.468 4.120 0.002 0.000 0.344 181 V C 0.348 176.499 176.094 0.094 0.000 1.390 181 V CA -1.022 61.346 62.300 0.114 0.000 1.177 181 V CB -0.740 31.179 31.823 0.161 0.000 1.163 181 V HN 0.214 8.404 8.190 -0.000 0.000 0.484 182 N N 2.824 121.560 118.700 0.060 0.000 2.458 182 N HA 0.082 4.824 4.740 0.002 0.000 0.258 182 N C -0.337 175.208 175.510 0.057 0.000 1.219 182 N CA 0.525 53.597 53.050 0.037 0.000 0.902 182 N CB 0.796 39.297 38.487 0.023 0.000 1.076 182 N HN 0.475 8.855 8.380 -0.000 0.000 0.455 183 D N 1.461 121.889 120.400 0.046 0.000 2.411 183 D HA 0.179 4.820 4.640 0.002 0.000 0.225 183 D C 0.695 177.019 176.300 0.040 0.000 1.156 183 D CA -0.342 53.690 54.000 0.053 0.000 0.874 183 D CB 0.482 41.306 40.800 0.040 0.000 1.034 183 D HN 0.213 8.583 8.370 -0.000 0.000 0.502 184 R N 2.363 122.895 120.500 0.053 0.000 2.073 184 R HA 0.053 4.395 4.340 0.002 0.000 0.229 184 R C 1.802 178.118 176.300 0.027 0.000 1.120 184 R CA 1.193 57.319 56.100 0.043 0.000 0.967 184 R CB 0.065 30.402 30.300 0.062 0.000 0.862 184 R HN 0.345 8.615 8.270 -0.000 0.000 0.436 185 K N -1.863 118.546 120.400 0.015 0.000 2.137 185 K HA 0.173 4.494 4.320 0.002 0.000 0.202 185 K C 1.034 177.628 176.600 -0.010 0.000 1.052 185 K CA 1.037 57.314 56.287 -0.017 0.000 0.961 185 K CB 0.381 32.829 32.500 -0.087 0.000 0.741 185 K HN 0.396 8.646 8.250 -0.000 0.000 0.452 186 G N 0.231 109.031 108.800 -0.001 0.000 2.278 186 G HA2 -0.274 3.688 3.960 0.002 0.000 0.210 186 G HA3 -0.274 3.688 3.960 0.002 0.000 0.210 186 G C 0.838 175.734 174.900 -0.007 0.000 1.000 186 G CA 0.345 45.444 45.100 -0.002 0.000 0.635 186 G HN 0.417 8.707 8.290 -0.000 0.000 0.495 187 H N 1.414 120.425 119.070 -0.099 0.000 2.357 187 H HA -0.048 4.509 4.556 0.002 0.000 0.301 187 H C 2.712 177.994 175.328 -0.078 0.000 1.082 187 H CA 2.528 58.513 56.048 -0.104 0.000 1.342 187 H CB -0.539 29.119 29.762 -0.172 0.000 1.389 187 H HN 0.431 8.711 8.280 -0.000 0.000 0.511 188 G N -0.425 108.379 108.800 0.007 0.000 2.442 188 G HA2 -0.254 3.707 3.960 0.002 0.000 0.219 188 G HA3 -0.254 3.707 3.960 0.002 0.000 0.219 188 G C 1.768 176.618 174.900 -0.085 0.000 1.141 188 G CA 1.270 46.371 45.100 0.002 0.000 0.763 188 G HN 0.410 8.700 8.290 -0.000 0.000 0.554 189 T N 1.337 115.841 114.554 -0.084 0.000 2.788 189 T HA -0.071 4.280 4.350 0.002 0.000 0.268 189 T C 2.530 177.109 174.700 -0.203 0.000 1.044 189 T CA 1.304 63.330 62.100 -0.123 0.000 1.139 189 T CB -0.194 68.624 68.868 -0.083 0.000 0.867 189 T HN 0.228 8.468 8.240 -0.000 0.000 0.454 190 M N 0.511 119.982 119.600 -0.216 0.000 2.117 190 M HA -0.076 4.406 4.480 0.002 0.000 0.262 190 M C 2.442 178.587 176.300 -0.258 0.000 1.065 190 M CA 1.276 56.434 55.300 -0.238 0.000 1.114 190 M CB -0.622 31.821 32.600 -0.261 0.000 1.361 190 M HN 0.098 8.388 8.290 -0.000 0.000 0.408 191 V N -0.338 119.396 119.914 -0.299 0.000 2.358 191 V HA -0.199 3.923 4.120 0.002 0.000 0.246 191 V C 2.333 178.288 176.094 -0.232 0.000 1.047 191 V CA 1.938 64.097 62.300 -0.236 0.000 1.035 191 V CB -0.629 31.080 31.823 -0.190 0.000 0.658 191 V HN 0.422 8.612 8.190 -0.000 0.000 0.452 192 S N 0.725 116.243 115.700 -0.303 0.000 2.399 192 S HA -0.136 4.336 4.470 0.002 0.000 0.231 192 S C 2.070 176.394 174.600 -0.459 0.000 1.022 192 S CA 1.308 59.188 58.200 -0.532 0.000 0.983 192 S CB -0.649 62.121 63.200 -0.718 0.000 0.803 192 S HN 0.698 9.008 8.310 -0.000 0.000 0.480 193 G N 1.568 110.175 108.800 -0.322 0.000 2.418 193 G HA2 -0.203 3.759 3.960 0.002 0.000 0.217 193 G HA3 -0.203 3.759 3.960 0.002 0.000 0.217 193 G C 1.382 176.184 174.900 -0.162 0.000 1.158 193 G CA 0.540 45.498 45.100 -0.238 0.000 0.771 193 G HN 0.351 8.641 8.290 -0.000 0.000 0.545 194 Q N 0.409 120.118 119.800 -0.153 0.000 2.124 194 Q HA -0.115 4.227 4.340 0.002 0.000 0.202 194 Q C 2.872 178.833 176.000 -0.066 0.000 0.977 194 Q CA 1.952 57.696 55.803 -0.099 0.000 0.850 194 Q CB -0.882 27.797 28.738 -0.097 0.000 0.901 194 Q HN 0.704 8.974 8.270 -0.000 0.000 0.429 195 T N -3.193 111.301 114.554 -0.101 0.000 2.937 195 T HA 0.086 4.437 4.350 0.002 0.000 0.260 195 T C 1.684 176.364 174.700 -0.032 0.000 1.051 195 T CA 1.057 63.123 62.100 -0.056 0.000 1.141 195 T CB 0.048 68.875 68.868 -0.068 0.000 0.879 195 T HN 0.078 8.318 8.240 -0.000 0.000 0.459 196 S N 0.491 116.132 115.700 -0.098 0.000 2.787 196 S HA 0.640 5.111 4.470 0.002 0.000 0.255 196 S C 0.720 175.323 174.600 0.005 0.000 1.051 196 S CA -0.264 57.924 58.200 -0.019 0.000 1.124 196 S CB 0.507 63.691 63.200 -0.027 0.000 1.104 196 S HN 0.816 9.126 8.310 -0.000 0.000 0.623 197 A N 2.669 125.464 122.820 -0.042 0.000 2.540 197 A HA 0.446 4.767 4.320 0.002 0.000 0.239 197 A C 0.348 177.941 177.584 0.015 0.000 1.061 197 A CA 0.285 52.315 52.037 -0.012 0.000 0.758 197 A CB -0.125 18.858 19.000 -0.028 0.000 0.991 197 A HN 0.261 8.412 8.150 -0.000 0.000 0.502 198 N N 1.366 120.087 118.700 0.035 0.000 2.722 198 N HA 0.458 5.199 4.740 0.002 0.000 0.242 198 N C -0.036 175.487 175.510 0.022 0.000 1.398 198 N CA 0.551 53.604 53.050 0.006 0.000 0.755 198 N CB 0.659 39.154 38.487 0.013 0.000 1.268 198 N HN 0.866 9.246 8.380 -0.000 0.000 0.522 199 G N 1.126 109.940 108.800 0.023 0.000 3.349 199 G HA2 0.111 4.072 3.960 0.002 0.000 0.155 199 G HA3 0.111 4.072 3.960 0.002 0.000 0.155 199 G C 0.272 175.184 174.900 0.021 0.000 1.219 199 G CA -0.249 44.876 45.100 0.042 0.000 1.356 199 G HN 0.174 8.464 8.290 -0.000 0.000 0.687 200 K N -0.682 119.753 120.400 0.059 0.000 2.097 200 K HA 0.133 4.455 4.320 0.002 0.000 0.205 200 K C 0.644 177.197 176.600 -0.078 0.000 1.050 200 K CA 0.591 56.864 56.287 -0.023 0.000 0.938 200 K CB -0.058 32.411 32.500 -0.052 0.000 0.718 200 K HN 0.149 8.399 8.250 -0.000 0.000 0.442 201 L N 1.258 122.462 121.223 -0.032 0.000 2.334 201 L HA 0.290 4.632 4.340 0.002 0.000 0.275 201 L C -0.897 175.973 176.870 -0.001 0.000 1.036 201 L CA -0.421 54.392 54.840 -0.045 0.000 0.807 201 L CB 1.087 43.145 42.059 -0.002 0.000 1.231 201 L HN -0.060 8.170 8.230 -0.000 0.000 0.438 202 I N 3.698 124.285 120.570 0.029 0.000 2.436 202 I HA 0.443 4.614 4.170 0.002 0.000 0.289 202 I C 0.652 176.807 176.117 0.063 0.000 1.010 202 I CA -0.368 60.923 61.300 -0.015 0.000 1.098 202 I CB 0.915 38.794 38.000 -0.202 0.000 1.266 202 I HN 0.675 8.885 8.210 -0.000 0.000 0.434 203 G N 4.108 112.937 108.800 0.048 0.000 2.543 203 G HA2 0.427 4.388 3.960 0.002 0.000 0.290 203 G HA3 0.427 4.388 3.960 0.002 0.000 0.290 203 G C 0.879 175.898 174.900 0.198 0.000 1.310 203 G CA -0.414 44.733 45.100 0.079 0.000 1.025 203 G HN 0.361 8.651 8.290 -0.000 0.000 0.502 204 V N 0.383 120.383 119.914 0.143 0.000 2.453 204 V HA 0.096 4.217 4.120 0.002 0.000 0.247 204 V C 1.976 178.160 176.094 0.149 0.000 1.048 204 V CA 2.049 64.438 62.300 0.148 0.000 1.049 204 V CB -0.252 31.610 31.823 0.064 0.000 0.672 204 V HN 0.786 8.976 8.190 -0.000 0.000 0.457 205 A N 0.510 123.400 122.820 0.117 0.000 3.165 205 A HA 0.498 4.819 4.320 0.002 0.000 0.331 205 A C -1.307 176.341 177.584 0.107 0.000 1.034 205 A CA -0.956 51.142 52.037 0.101 0.000 0.906 205 A CB 0.194 19.236 19.000 0.070 0.000 1.054 205 A HN 0.336 8.486 8.150 -0.000 0.000 0.484 206 P HA -0.102 4.318 4.420 -0.000 0.000 0.228 206 P C 0.256 177.596 177.300 0.067 0.000 1.151 206 P CA 1.026 64.173 63.100 0.078 0.000 0.770 206 P CB 0.283 31.999 31.700 0.027 0.000 0.786 207 N N -0.647 118.093 118.700 0.067 0.000 2.205 207 N HA 0.056 4.797 4.740 0.002 0.000 0.201 207 N C 0.059 175.604 175.510 0.058 0.000 1.128 207 N CA 0.041 53.120 53.050 0.050 0.000 0.867 207 N CB -0.166 38.338 38.487 0.028 0.000 0.996 207 N HN 0.176 8.556 8.380 -0.000 0.000 0.503 208 N N 0.993 119.740 118.700 0.078 0.000 2.498 208 N HA 0.133 4.874 4.740 0.002 0.000 0.287 208 N C -0.087 175.490 175.510 0.112 0.000 1.097 208 N CA -0.208 52.891 53.050 0.081 0.000 0.973 208 N CB 1.079 39.615 38.487 0.082 0.000 1.153 208 N HN -0.207 8.173 8.380 -0.000 0.000 0.472 209 K N 1.591 122.033 120.400 0.070 0.000 2.270 209 K HA 0.238 4.559 4.320 0.002 0.000 0.276 209 K C -0.494 176.163 176.600 0.095 0.000 1.023 209 K CA -0.144 56.161 56.287 0.030 0.000 0.955 209 K CB 0.243 32.707 32.500 -0.061 0.000 0.975 209 K HN 0.575 8.825 8.250 -0.000 0.000 0.471 210 F N -1.664 118.277 119.950 -0.016 0.000 2.522 210 F HA 0.525 5.053 4.527 0.002 0.000 0.324 210 F C -0.347 175.403 175.800 -0.084 0.000 1.077 210 F CA -0.867 57.128 58.000 -0.009 0.000 0.944 210 F CB 1.471 40.489 39.000 0.030 0.000 1.175 210 F HN 0.164 8.464 8.300 -0.000 0.000 0.468 211 T N 4.876 119.429 114.554 -0.001 0.000 2.786 211 T HA 0.451 4.802 4.350 0.002 0.000 0.283 211 T C -0.603 174.064 174.700 -0.055 0.000 0.992 211 T CA -0.390 61.582 62.100 -0.214 0.000 0.954 211 T CB 1.193 69.978 68.868 -0.137 0.000 0.934 211 T HN 0.759 8.999 8.240 -0.000 0.000 0.440 212 M N 3.891 123.415 119.600 -0.126 0.000 2.188 212 M HA 0.469 4.950 4.480 0.002 0.000 0.357 212 M C -1.881 174.260 176.300 -0.265 0.000 1.204 212 M CA -0.801 54.534 55.300 0.058 0.000 1.095 212 M CB 0.201 32.970 32.600 0.281 0.000 1.604 212 M HN 0.534 8.824 8.290 -0.000 0.000 0.464 213 Y N 4.279 124.673 120.300 0.157 0.000 2.388 213 Y HA 0.469 5.020 4.550 0.002 0.000 0.328 213 Y C -0.068 175.928 175.900 0.160 0.000 0.963 213 Y CA -0.539 57.638 58.100 0.128 0.000 1.240 213 Y CB 0.875 39.399 38.460 0.108 0.000 1.118 213 Y HN 0.612 8.892 8.280 -0.000 0.000 0.484 214 R N 2.648 123.285 120.500 0.228 0.000 2.267 214 R HA 0.391 4.732 4.340 0.002 0.000 0.319 214 R C 0.138 176.578 176.300 0.232 0.000 1.067 214 R CA -0.079 56.162 56.100 0.235 0.000 0.936 214 R CB 0.538 30.943 30.300 0.176 0.000 1.006 214 R HN 0.645 8.915 8.270 -0.000 0.000 0.452 215 V N 1.620 121.715 119.914 0.302 0.000 3.253 215 V HA 0.453 4.574 4.120 0.002 0.000 0.320 215 V C -0.684 175.502 176.094 0.153 0.000 1.442 215 V CA -0.449 62.000 62.300 0.248 0.000 1.097 215 V CB -0.346 31.594 31.823 0.196 0.000 1.008 215 V HN 0.468 8.658 8.190 -0.000 0.000 0.463 216 F N 0.187 120.282 119.950 0.241 0.000 2.569 216 F HA 0.877 5.405 4.527 0.002 0.000 0.312 216 F C 1.135 177.029 175.800 0.157 0.000 1.109 216 F CA -0.093 58.037 58.000 0.217 0.000 0.919 216 F CB 2.128 41.198 39.000 0.117 0.000 1.211 216 F HN 0.101 8.401 8.300 -0.000 0.000 0.446 217 G N 0.407 109.418 108.800 0.351 0.000 3.348 217 G HA2 0.165 4.126 3.960 0.002 0.000 0.180 217 G HA3 0.165 4.126 3.960 0.002 0.000 0.180 217 G C 0.581 175.604 174.900 0.206 0.000 1.915 217 G CA -0.029 45.203 45.100 0.221 0.000 0.937 217 G HN 0.522 8.812 8.290 -0.000 0.000 0.564 218 S N 0.002 115.799 115.700 0.161 0.000 2.523 218 S HA 0.268 4.739 4.470 0.002 0.000 0.217 218 S C 1.069 175.729 174.600 0.100 0.000 0.996 218 S CA -0.054 58.214 58.200 0.113 0.000 0.921 218 S CB 0.284 63.534 63.200 0.083 0.000 0.829 218 S HN 0.242 8.552 8.310 -0.000 0.000 0.495 219 K N 1.850 122.323 120.400 0.121 0.000 2.989 219 K HA 0.452 4.774 4.320 0.002 0.000 0.260 219 K C 0.053 176.632 176.600 -0.034 0.000 0.982 219 K CA -0.405 55.894 56.287 0.020 0.000 1.553 219 K CB -0.042 32.471 32.500 0.021 0.000 3.152 219 K HN 0.011 8.261 8.250 -0.000 0.000 0.970 220 K N 0.608 120.742 120.400 -0.444 0.000 2.148 220 K HA 0.283 4.604 4.320 0.002 0.000 0.239 220 K C 0.265 176.466 176.600 -0.664 0.000 1.018 220 K CA -0.412 55.505 56.287 -0.617 0.000 0.923 220 K CB 1.000 32.748 32.500 -1.252 0.000 1.117 220 K HN 0.322 8.572 8.250 -0.000 0.000 0.477 221 T N 0.070 114.144 114.554 -0.800 0.000 2.937 221 T HA 0.222 4.574 4.350 0.002 0.000 0.283 221 T C -1.061 173.060 174.700 -0.965 0.000 1.012 221 T CA -0.726 60.761 62.100 -1.021 0.000 0.997 221 T CB 0.972 68.988 68.868 -1.420 0.000 1.136 221 T HN 0.328 8.568 8.240 -0.000 0.000 0.551 222 E N 1.830 121.202 120.200 -1.380 0.000 2.212 222 E HA 0.324 4.676 4.350 0.002 0.000 0.268 222 E C 0.861 177.070 176.600 -0.652 0.000 0.902 222 E CA -0.521 55.225 56.400 -1.089 0.000 0.779 222 E CB 2.002 30.663 29.700 -1.730 0.000 1.172 222 E HN 0.564 8.924 8.360 -0.000 0.000 0.409 223 L N 1.671 122.667 121.223 -0.379 0.000 2.191 223 L HA -0.139 4.203 4.340 0.002 0.000 0.212 223 L C 2.193 178.971 176.870 -0.153 0.000 1.103 223 L CA 0.829 55.538 54.840 -0.217 0.000 0.769 223 L CB -0.204 41.768 42.059 -0.146 0.000 0.908 223 L HN 0.475 8.705 8.230 -0.000 0.000 0.438 224 L N -1.560 119.550 121.223 -0.189 0.000 2.083 224 L HA -0.207 4.134 4.340 0.002 0.000 0.209 224 L C 2.499 179.441 176.870 0.120 0.000 1.083 224 L CA 1.161 55.984 54.840 -0.029 0.000 0.752 224 L CB -0.562 41.496 42.059 -0.003 0.000 0.899 224 L HN 0.431 8.661 8.230 -0.000 0.000 0.433 225 W N -0.603 120.553 121.300 -0.240 0.000 2.418 225 W HA -0.052 4.609 4.660 0.002 0.000 0.292 225 W C 2.419 178.921 176.519 -0.028 0.000 1.213 225 W CA 0.146 57.405 57.345 -0.144 0.000 1.283 225 W CB -1.442 27.876 29.460 -0.236 0.000 1.119 225 W HN -0.091 8.089 8.180 -0.000 0.000 0.542 226 V N 0.695 120.683 119.914 0.123 0.000 2.343 226 V HA -0.296 3.825 4.120 0.002 0.000 0.247 226 V C 2.346 178.471 176.094 0.051 0.000 1.051 226 V CA 2.328 64.666 62.300 0.065 0.000 1.036 226 V CB -1.268 30.549 31.823 -0.009 0.000 0.654 226 V HN 0.077 8.267 8.190 -0.000 0.000 0.451 227 S N -0.565 115.158 115.700 0.040 0.000 2.368 227 S HA -0.251 4.220 4.470 0.002 0.000 0.225 227 S C 2.019 176.634 174.600 0.025 0.000 1.030 227 S CA 1.808 60.018 58.200 0.016 0.000 0.999 227 S CB -0.306 62.899 63.200 0.009 0.000 0.844 227 S HN 0.588 8.898 8.310 -0.000 0.000 0.459 228 K N 1.337 121.803 120.400 0.110 0.000 2.097 228 K HA -0.045 4.276 4.320 0.002 0.000 0.206 228 K C 2.217 178.830 176.600 0.020 0.000 1.049 228 K CA 1.095 57.436 56.287 0.090 0.000 0.933 228 K CB -0.320 32.325 32.500 0.242 0.000 0.717 228 K HN 0.307 8.557 8.250 -0.000 0.000 0.442 229 A N 1.212 124.061 122.820 0.048 0.000 1.902 229 A HA -0.141 4.181 4.320 0.002 0.000 0.217 229 A C 2.043 179.501 177.584 -0.210 0.000 1.181 229 A CA 1.414 53.421 52.037 -0.051 0.000 0.623 229 A CB -0.545 18.495 19.000 0.067 0.000 0.818 229 A HN 0.325 8.475 8.150 -0.000 0.000 0.443 230 I N -0.495 120.013 120.570 -0.103 0.000 2.179 230 I HA -0.231 3.940 4.170 0.002 0.000 0.242 230 I C 2.364 178.435 176.117 -0.077 0.000 1.088 230 I CA 1.252 62.497 61.300 -0.091 0.000 1.357 230 I CB -0.402 37.581 38.000 -0.029 0.000 1.051 230 I HN 0.158 8.368 8.210 -0.000 0.000 0.409 231 V N 0.429 120.295 119.914 -0.080 0.000 2.295 231 V HA -0.323 3.798 4.120 0.002 0.000 0.246 231 V C 2.477 178.547 176.094 -0.039 0.000 1.049 231 V CA 2.129 64.375 62.300 -0.091 0.000 1.024 231 V CB -0.675 30.967 31.823 -0.302 0.000 0.648 231 V HN 0.439 8.629 8.190 -0.000 0.000 0.447 232 Q N 0.541 120.269 119.800 -0.120 0.000 2.050 232 Q HA -0.142 4.199 4.340 0.002 0.000 0.202 232 Q C 2.145 178.034 176.000 -0.186 0.000 0.980 232 Q CA 2.286 58.021 55.803 -0.113 0.000 0.840 232 Q CB -0.678 28.000 28.738 -0.099 0.000 0.898 232 Q HN 0.584 8.854 8.270 -0.000 0.000 0.424 233 A N 0.221 122.756 122.820 -0.475 0.000 1.940 233 A HA -0.087 4.235 4.320 0.002 0.000 0.219 233 A C 2.273 179.806 177.584 -0.084 0.000 1.176 233 A CA 1.991 53.776 52.037 -0.420 0.000 0.631 233 A CB -1.162 17.520 19.000 -0.530 0.000 0.814 233 A HN 0.530 8.680 8.150 -0.000 0.000 0.446 234 A N 0.168 122.971 122.820 -0.028 0.000 1.873 234 A HA -0.166 4.155 4.320 0.002 0.000 0.215 234 A C 1.905 179.519 177.584 0.049 0.000 1.186 234 A CA 1.681 53.739 52.037 0.035 0.000 0.616 234 A CB -0.594 18.470 19.000 0.106 0.000 0.823 234 A HN 0.525 8.675 8.150 -0.000 0.000 0.442 235 N N 0.716 119.475 118.700 0.098 0.000 2.223 235 N HA -0.114 4.627 4.740 0.002 0.000 0.185 235 N C 0.628 176.172 175.510 0.056 0.000 1.016 235 N CA 1.423 54.527 53.050 0.089 0.000 0.863 235 N CB -0.406 38.148 38.487 0.111 0.000 0.983 235 N HN 0.409 8.789 8.380 -0.000 0.000 0.429 236 D N -0.434 120.003 120.400 0.063 0.000 2.363 236 D HA 0.092 4.733 4.640 0.002 0.000 0.220 236 D C 1.030 177.364 176.300 0.056 0.000 0.994 236 D CA 0.582 54.629 54.000 0.077 0.000 0.890 236 D CB -0.188 40.705 40.800 0.155 0.000 0.906 236 D HN 0.349 8.719 8.370 -0.000 0.000 0.530 237 G N 0.975 109.799 108.800 0.040 0.000 2.142 237 G HA2 -0.248 3.713 3.960 0.002 0.000 0.225 237 G HA3 -0.248 3.713 3.960 0.002 0.000 0.225 237 G C -0.109 174.810 174.900 0.032 0.000 1.015 237 G CA -0.525 44.589 45.100 0.023 0.000 0.716 237 G HN 0.227 8.517 8.290 -0.000 0.000 0.508 238 N N 0.353 119.083 118.700 0.049 0.000 2.401 238 N HA 0.231 4.972 4.740 0.002 0.000 0.255 238 N C 1.105 176.639 175.510 0.039 0.000 1.110 238 N CA -0.020 53.067 53.050 0.062 0.000 0.949 238 N CB 1.331 39.883 38.487 0.109 0.000 1.110 238 N HN 0.532 8.912 8.380 -0.000 0.000 0.490 239 Q N 1.592 121.411 119.800 0.032 0.000 2.378 239 Q HA 0.069 4.411 4.340 0.002 0.000 0.205 239 Q C -0.321 175.692 176.000 0.022 0.000 0.954 239 Q CA 0.642 56.456 55.803 0.018 0.000 0.901 239 Q CB 0.544 29.289 28.738 0.012 0.000 0.981 239 Q HN 0.343 8.613 8.270 -0.000 0.000 0.483 240 V N 1.329 121.266 119.914 0.039 0.000 2.487 240 V HA 0.397 4.519 4.120 0.002 0.000 0.298 240 V C -0.608 175.522 176.094 0.059 0.000 1.028 240 V CA -0.633 61.691 62.300 0.041 0.000 0.860 240 V CB 1.884 33.733 31.823 0.043 0.000 0.991 240 V HN 0.100 8.290 8.190 -0.000 0.000 0.427 241 I N 4.036 124.636 120.570 0.050 0.000 2.439 241 I HA 0.378 4.549 4.170 0.002 0.000 0.283 241 I C -0.348 175.805 176.117 0.061 0.000 1.023 241 I CA -0.364 60.971 61.300 0.058 0.000 1.100 241 I CB 1.675 39.692 38.000 0.029 0.000 1.238 241 I HN 0.634 8.844 8.210 -0.000 0.000 0.445 242 N N 7.378 126.128 118.700 0.084 0.000 2.426 242 N HA 0.505 5.247 4.740 0.002 0.000 0.257 242 N C -1.051 174.515 175.510 0.092 0.000 1.002 242 N CA -0.340 52.758 53.050 0.079 0.000 0.942 242 N CB 0.852 39.386 38.487 0.078 0.000 1.112 242 N HN 0.482 8.862 8.380 -0.000 0.000 0.499 243 I N 2.936 123.551 120.570 0.075 0.000 2.428 243 I HA 0.167 4.338 4.170 0.002 0.000 0.279 243 I C 0.288 176.456 176.117 0.084 0.000 1.040 243 I CA -0.327 61.022 61.300 0.082 0.000 1.171 243 I CB 1.453 39.483 38.000 0.050 0.000 1.312 243 I HN 0.541 8.751 8.210 -0.000 0.000 0.470 244 S N 3.835 119.609 115.700 0.123 0.000 2.660 244 S HA 0.115 4.587 4.470 0.002 0.000 0.227 244 S C 0.168 174.839 174.600 0.118 0.000 0.948 244 S CA -0.106 58.179 58.200 0.142 0.000 0.948 244 S CB 0.146 63.474 63.200 0.213 0.000 0.779 244 S HN 0.480 8.790 8.310 -0.000 0.000 0.487 245 V N 0.863 120.830 119.914 0.089 0.000 2.487 245 V HA 0.910 5.031 4.120 0.002 0.000 0.298 245 V C -0.100 176.004 176.094 0.017 0.000 1.028 245 V CA -0.238 62.097 62.300 0.059 0.000 0.860 245 V CB 1.129 33.056 31.823 0.173 0.000 0.991 245 V HN 0.231 8.421 8.190 -0.000 0.000 0.427 246 G N 3.647 112.430 108.800 -0.028 0.000 2.714 246 G HA2 0.753 4.714 3.960 0.002 0.000 0.292 246 G HA3 0.753 4.714 3.960 0.002 0.000 0.292 246 G C -1.098 173.719 174.900 -0.138 0.000 1.308 246 G CA -0.271 44.774 45.100 -0.091 0.000 0.964 246 G HN 1.306 9.596 8.290 -0.000 0.000 0.484 247 S N -1.565 114.005 115.700 -0.218 0.000 2.550 247 S HA 0.597 5.069 4.470 0.002 0.000 0.270 247 S C -2.041 172.381 174.600 -0.296 0.000 1.145 247 S CA -0.638 57.445 58.200 -0.196 0.000 0.852 247 S CB 1.137 64.278 63.200 -0.098 0.000 1.119 247 S HN 0.450 8.760 8.310 -0.000 0.000 0.465 248 Y N 2.722 123.018 120.300 -0.007 0.000 2.385 248 Y HA 0.554 5.105 4.550 0.002 0.000 0.341 248 Y C 0.330 176.213 175.900 -0.028 0.000 0.965 248 Y CA -0.437 57.656 58.100 -0.012 0.000 1.180 248 Y CB 0.925 39.374 38.460 -0.018 0.000 1.139 248 Y HN 0.593 8.873 8.280 -0.000 0.000 0.502 249 I N 4.326 124.950 120.570 0.090 0.000 2.525 249 I HA 0.475 4.646 4.170 0.002 0.000 0.301 249 I C -0.799 175.294 176.117 -0.040 0.000 0.992 249 I CA -0.938 60.382 61.300 0.034 0.000 1.162 249 I CB 1.149 39.197 38.000 0.081 0.000 1.332 249 I HN 0.488 8.698 8.210 -0.000 0.000 0.458 250 I N 7.475 127.972 120.570 -0.122 0.000 2.321 250 I HA 0.292 4.463 4.170 0.002 0.000 0.291 250 I C -0.991 174.979 176.117 -0.246 0.000 0.998 250 I CA -0.503 60.623 61.300 -0.290 0.000 1.227 250 I CB 1.502 39.257 38.000 -0.407 0.000 1.368 250 I HN 0.340 8.550 8.210 -0.000 0.000 0.466 251 L N 7.008 128.058 121.223 -0.287 0.000 2.409 251 L HA 0.472 4.813 4.340 0.002 0.000 0.272 251 L C -0.942 175.766 176.870 -0.269 0.000 0.980 251 L CA -0.128 54.526 54.840 -0.310 0.000 0.826 251 L CB 1.777 43.550 42.059 -0.477 0.000 1.268 251 L HN 0.410 8.640 8.230 -0.000 0.000 0.407 252 D N 3.999 124.258 120.400 -0.234 0.000 2.485 252 D HA 0.138 4.779 4.640 0.002 0.000 0.256 252 D C 0.878 177.042 176.300 -0.226 0.000 1.141 252 D CA -0.128 53.767 54.000 -0.175 0.000 0.942 252 D CB 0.910 41.648 40.800 -0.103 0.000 1.003 252 D HN 0.643 9.013 8.370 -0.000 0.000 0.507 253 K N 2.143 122.406 120.400 -0.227 0.000 2.218 253 K HA -0.167 4.154 4.320 0.002 0.000 0.205 253 K C 0.787 177.216 176.600 -0.284 0.000 1.046 253 K CA 1.335 57.482 56.287 -0.233 0.000 0.933 253 K CB 0.213 32.616 32.500 -0.160 0.000 0.728 253 K HN 0.368 8.618 8.250 -0.000 0.000 0.454 254 N N 0.134 118.693 118.700 -0.235 0.000 2.405 254 N HA -0.080 4.661 4.740 0.002 0.000 0.175 254 N C -0.135 175.173 175.510 -0.337 0.000 1.051 254 N CA -0.064 52.852 53.050 -0.224 0.000 0.899 254 N CB 0.151 38.598 38.487 -0.067 0.000 1.000 254 N HN 0.134 8.514 8.380 -0.000 0.000 0.451 255 D N 0.343 120.575 120.400 -0.281 0.000 2.383 255 D HA -0.016 4.625 4.640 0.002 0.000 0.252 255 D C 0.129 176.246 176.300 -0.305 0.000 1.166 255 D CA 0.507 54.401 54.000 -0.178 0.000 0.879 255 D CB 0.423 41.171 40.800 -0.086 0.000 1.164 255 D HN 0.211 8.581 8.370 -0.000 0.000 0.462 256 H N 2.685 121.797 119.070 0.071 0.000 2.784 256 H HA 0.136 4.693 4.556 0.002 0.000 0.273 256 H C 0.142 175.577 175.328 0.179 0.000 1.112 256 H CA -0.205 55.920 56.048 0.127 0.000 1.162 256 H CB 0.550 30.373 29.762 0.102 0.000 1.586 256 H HN 0.475 8.755 8.280 -0.000 0.000 0.548 257 Q N 0.337 120.273 119.800 0.226 0.000 2.421 257 Q HA 0.043 4.384 4.340 0.002 0.000 0.255 257 Q C 0.969 177.139 176.000 0.283 0.000 1.013 257 Q CA 0.164 56.096 55.803 0.215 0.000 0.895 257 Q CB 1.356 30.197 28.738 0.172 0.000 1.271 257 Q HN 0.104 8.374 8.270 -0.000 0.000 0.460 258 T N 1.154 115.858 114.554 0.249 0.000 2.668 258 T HA -0.120 4.231 4.350 0.002 0.000 0.262 258 T C 0.199 175.073 174.700 0.290 0.000 1.045 258 T CA 1.015 63.273 62.100 0.262 0.000 1.152 258 T CB -0.101 68.869 68.868 0.169 0.000 0.864 258 T HN 0.390 8.630 8.240 -0.000 0.000 0.419 259 F N 3.785 123.824 119.950 0.148 0.000 2.444 259 F HA 0.358 4.887 4.527 0.002 0.000 0.360 259 F C 0.523 176.394 175.800 0.119 0.000 1.106 259 F CA -0.908 57.169 58.000 0.129 0.000 1.170 259 F CB 0.216 39.271 39.000 0.091 0.000 1.113 259 F HN -0.098 8.202 8.300 -0.000 0.000 0.521 260 R N 4.295 124.830 120.500 0.059 0.000 2.787 260 R HA 0.366 4.707 4.340 0.002 0.000 0.271 260 R C 0.207 176.583 176.300 0.126 0.000 0.993 260 R CA -1.103 55.056 56.100 0.098 0.000 0.993 260 R CB 1.425 31.707 30.300 -0.028 0.000 1.155 260 R HN 0.383 8.653 8.270 -0.000 0.000 0.486 261 K N 0.568 121.049 120.400 0.135 0.000 2.374 261 K HA 0.034 4.356 4.320 0.002 0.000 0.196 261 K C -0.125 176.522 176.600 0.079 0.000 1.023 261 K CA 0.325 56.697 56.287 0.143 0.000 1.103 261 K CB -0.027 32.563 32.500 0.150 0.000 0.848 261 K HN 0.574 8.824 8.250 -0.000 0.000 0.528 262 D N -0.685 119.721 120.400 0.010 0.000 2.595 262 D HA 0.104 4.745 4.640 0.002 0.000 0.268 262 D C -0.271 175.989 176.300 -0.065 0.000 1.181 262 D CA -0.621 53.351 54.000 -0.047 0.000 1.085 262 D CB 0.338 41.072 40.800 -0.109 0.000 1.186 262 D HN -0.070 8.300 8.370 -0.000 0.000 0.621 263 E N -1.227 118.921 120.200 -0.087 0.000 2.939 263 E HA 0.102 4.453 4.350 0.002 0.000 0.215 263 E C 0.470 177.038 176.600 -0.053 0.000 1.025 263 E CA -0.327 56.037 56.400 -0.060 0.000 1.259 263 E CB 0.874 30.549 29.700 -0.041 0.000 1.228 263 E HN 0.215 8.575 8.360 -0.000 0.000 0.443 264 K N 0.554 120.883 120.400 -0.119 0.000 2.063 264 K HA -0.134 4.187 4.320 0.002 0.000 0.208 264 K C 1.568 178.124 176.600 -0.073 0.000 1.048 264 K CA 1.466 57.653 56.287 -0.167 0.000 0.928 264 K CB -0.330 31.941 32.500 -0.381 0.000 0.713 264 K HN 0.103 8.353 8.250 -0.000 0.000 0.442 265 V N 1.030 120.913 119.914 -0.052 0.000 2.343 265 V HA -0.222 3.900 4.120 0.002 0.000 0.247 265 V C 2.048 178.157 176.094 0.025 0.000 1.051 265 V CA 2.199 64.510 62.300 0.018 0.000 1.036 265 V CB -0.602 31.247 31.823 0.042 0.000 0.654 265 V HN 0.339 8.529 8.190 -0.000 0.000 0.451 266 E N -0.807 119.400 120.200 0.012 0.000 2.077 266 E HA -0.204 4.148 4.350 0.002 0.000 0.193 266 E C 1.951 178.557 176.600 0.010 0.000 0.989 266 E CA 1.436 57.834 56.400 -0.003 0.000 0.800 266 E CB -0.484 29.200 29.700 -0.026 0.000 0.746 266 E HN 0.750 9.110 8.360 -0.000 0.000 0.452 267 Y N 1.486 121.745 120.300 -0.068 0.000 2.145 267 Y HA -0.237 4.315 4.550 0.002 0.000 0.286 267 Y C 1.623 177.498 175.900 -0.042 0.000 1.145 267 Y CA 1.844 59.907 58.100 -0.060 0.000 1.148 267 Y CB 0.015 38.427 38.460 -0.079 0.000 0.981 267 Y HN -0.008 8.272 8.280 -0.000 0.000 0.507 268 D N 0.030 120.534 120.400 0.173 0.000 2.117 268 D HA -0.184 4.458 4.640 0.002 0.000 0.197 268 D C 2.268 178.574 176.300 0.010 0.000 0.987 268 D CA 1.451 55.516 54.000 0.109 0.000 0.829 268 D CB -0.658 40.211 40.800 0.115 0.000 0.961 268 D HN 0.481 8.851 8.370 -0.000 0.000 0.460 269 A N 0.665 123.483 122.820 -0.004 0.000 1.877 269 A HA -0.154 4.167 4.320 0.002 0.000 0.216 269 A C 2.150 179.700 177.584 -0.057 0.000 1.186 269 A CA 1.105 53.126 52.037 -0.026 0.000 0.620 269 A CB -0.749 18.243 19.000 -0.013 0.000 0.822 269 A HN 0.242 8.392 8.150 -0.000 0.000 0.443 270 L N -0.621 120.543 121.223 -0.099 0.000 2.056 270 L HA -0.141 4.200 4.340 0.002 0.000 0.207 270 L C 2.495 179.281 176.870 -0.141 0.000 1.078 270 L CA 2.654 57.417 54.840 -0.128 0.000 0.749 270 L CB -0.738 41.217 42.059 -0.175 0.000 0.901 270 L HN 0.506 8.736 8.230 -0.000 0.000 0.433 271 Q N -0.205 119.475 119.800 -0.199 0.000 2.079 271 Q HA -0.193 4.148 4.340 0.002 0.000 0.200 271 Q C 2.194 178.167 176.000 -0.044 0.000 0.974 271 Q CA 1.852 57.565 55.803 -0.150 0.000 0.840 271 Q CB -0.109 28.523 28.738 -0.176 0.000 0.898 271 Q HN 0.457 8.727 8.270 -0.000 0.000 0.430 272 K N -0.362 120.026 120.400 -0.020 0.000 2.097 272 K HA -0.100 4.221 4.320 0.002 0.000 0.206 272 K C 2.040 178.663 176.600 0.038 0.000 1.049 272 K CA 1.102 57.401 56.287 0.020 0.000 0.933 272 K CB -0.256 32.252 32.500 0.015 0.000 0.717 272 K HN 0.293 8.543 8.250 -0.000 0.000 0.442 273 A N 1.499 124.317 122.820 -0.002 0.000 1.902 273 A HA -0.144 4.178 4.320 0.002 0.000 0.217 273 A C 2.111 179.734 177.584 0.066 0.000 1.181 273 A CA 1.253 53.295 52.037 0.009 0.000 0.623 273 A CB -0.558 18.423 19.000 -0.032 0.000 0.818 273 A HN 0.172 8.322 8.150 -0.000 0.000 0.443 274 I N 0.187 120.770 120.570 0.022 0.000 2.286 274 I HA -0.265 3.906 4.170 0.002 0.000 0.248 274 I C 1.941 178.086 176.117 0.046 0.000 1.115 274 I CA 1.213 62.526 61.300 0.022 0.000 1.392 274 I CB -0.388 37.602 38.000 -0.016 0.000 1.065 274 I HN 0.309 8.519 8.210 -0.000 0.000 0.418 275 N N 0.002 118.736 118.700 0.056 0.000 2.270 275 N HA -0.196 4.545 4.740 0.002 0.000 0.181 275 N C 1.732 177.295 175.510 0.087 0.000 1.016 275 N CA 1.022 54.108 53.050 0.060 0.000 0.870 275 N CB -0.481 38.038 38.487 0.055 0.000 0.979 275 N HN 0.391 8.771 8.380 -0.000 0.000 0.431 276 Y N 1.767 122.061 120.300 -0.011 0.000 2.145 276 Y HA -0.146 4.406 4.550 0.002 0.000 0.286 276 Y C 2.292 178.183 175.900 -0.015 0.000 1.145 276 Y CA 1.737 59.831 58.100 -0.010 0.000 1.148 276 Y CB -0.405 38.048 38.460 -0.013 0.000 0.981 276 Y HN 0.070 8.350 8.280 -0.000 0.000 0.507 277 A N 0.572 123.474 122.820 0.137 0.000 1.892 277 A HA -0.299 4.022 4.320 0.002 0.000 0.218 277 A C 2.306 179.864 177.584 -0.044 0.000 1.188 277 A CA 2.224 54.281 52.037 0.034 0.000 0.631 277 A CB -0.905 18.126 19.000 0.052 0.000 0.822 277 A HN 0.560 8.710 8.150 -0.000 0.000 0.447 278 K N -0.164 120.223 120.400 -0.022 0.000 2.057 278 K HA -0.198 4.123 4.320 0.002 0.000 0.207 278 K C 2.162 178.723 176.600 -0.065 0.000 1.049 278 K CA 1.824 58.093 56.287 -0.029 0.000 0.931 278 K CB -0.202 32.296 32.500 -0.004 0.000 0.714 278 K HN 0.452 8.702 8.250 -0.000 0.000 0.440 279 K N 0.480 120.818 120.400 -0.103 0.000 2.147 279 K HA -0.111 4.210 4.320 0.002 0.000 0.205 279 K C 1.102 177.591 176.600 -0.184 0.000 1.049 279 K CA 1.192 57.393 56.287 -0.143 0.000 0.936 279 K CB 0.196 32.581 32.500 -0.191 0.000 0.722 279 K HN -0.004 8.246 8.250 -0.000 0.000 0.446 280 K N 0.909 121.169 120.400 -0.233 0.000 2.458 280 K HA 0.025 4.346 4.320 0.002 0.000 0.194 280 K C -0.156 176.377 176.600 -0.111 0.000 1.024 280 K CA 0.146 56.315 56.287 -0.198 0.000 1.108 280 K CB 0.608 32.966 32.500 -0.237 0.000 0.846 280 K HN 0.070 8.320 8.250 -0.000 0.000 0.518 281 K N -0.052 120.295 120.400 -0.088 0.000 3.251 281 K HA -0.094 4.227 4.320 0.002 0.000 0.282 281 K C -0.589 175.987 176.600 -0.039 0.000 1.201 281 K CA 0.364 56.615 56.287 -0.060 0.000 0.827 281 K CB -2.442 30.016 32.500 -0.069 0.000 1.286 281 K HN 0.064 8.314 8.250 -0.000 0.000 0.503 282 S N 0.227 115.907 115.700 -0.034 0.000 2.593 282 S HA 0.680 5.151 4.470 0.002 0.000 0.297 282 S C 0.584 175.180 174.600 -0.006 0.000 1.112 282 S CA -0.816 57.376 58.200 -0.014 0.000 1.043 282 S CB 1.810 65.006 63.200 -0.007 0.000 1.054 282 S HN 0.219 8.529 8.310 -0.000 0.000 0.516 283 I N 2.175 122.745 120.570 0.001 0.000 2.336 283 I HA 0.350 4.521 4.170 0.002 0.000 0.292 283 I C -0.731 175.394 176.117 0.012 0.000 0.991 283 I CA -0.735 60.567 61.300 0.003 0.000 1.227 283 I CB 1.451 39.448 38.000 -0.005 0.000 1.366 283 I HN 0.206 8.415 8.210 -0.000 0.000 0.466 284 V N 7.427 127.349 119.914 0.015 0.000 2.407 284 V HA 0.310 4.432 4.120 0.002 0.000 0.278 284 V C 0.000 176.107 176.094 0.022 0.000 1.037 284 V CA -0.553 61.758 62.300 0.018 0.000 0.900 284 V CB 1.691 33.521 31.823 0.013 0.000 0.983 284 V HN 0.398 8.588 8.190 -0.000 0.000 0.459 285 V N 4.585 124.516 119.914 0.027 0.000 2.409 285 V HA 0.838 4.959 4.120 0.002 0.000 0.291 285 V C 0.263 176.373 176.094 0.027 0.000 1.020 285 V CA -0.420 61.899 62.300 0.031 0.000 0.848 285 V CB 1.427 33.272 31.823 0.038 0.000 0.990 285 V HN 0.970 9.160 8.190 -0.000 0.000 0.430 286 A N 3.793 126.620 122.820 0.011 0.000 2.374 286 A HA 0.961 5.282 4.320 0.002 0.000 0.317 286 A C -0.014 177.567 177.584 -0.005 0.000 1.094 286 A CA -0.444 51.593 52.037 0.001 0.000 0.765 286 A CB 1.631 20.616 19.000 -0.025 0.000 1.268 286 A HN 1.274 9.424 8.150 -0.000 0.000 0.438 287 A N 0.952 123.782 122.820 0.016 0.000 2.331 287 A HA 0.661 4.982 4.320 0.002 0.000 0.283 287 A C 0.746 178.344 177.584 0.024 0.000 1.142 287 A CA 0.242 52.300 52.037 0.036 0.000 0.812 287 A CB -0.000 19.043 19.000 0.072 0.000 1.074 287 A HN 2.170 10.320 8.150 -0.000 0.000 0.497 288 A N 2.050 124.897 122.820 0.044 0.000 2.386 288 A HA 0.568 4.890 4.320 0.002 0.000 0.246 288 A C 1.033 178.726 177.584 0.181 0.000 1.089 288 A CA 0.249 52.363 52.037 0.129 0.000 0.790 288 A CB -0.283 18.844 19.000 0.211 0.000 1.042 288 A HN 1.711 9.861 8.150 -0.000 0.000 0.497 289 G N -0.589 108.348 108.800 0.227 0.000 2.684 289 G HA2 0.328 4.289 3.960 0.002 0.000 0.255 289 G HA3 0.328 4.289 3.960 0.002 0.000 0.255 289 G C 0.159 175.206 174.900 0.244 0.000 1.219 289 G CA -0.467 44.729 45.100 0.160 0.000 0.901 289 G HN 0.717 9.007 8.290 -0.000 0.000 0.548 290 N N -0.014 118.831 118.700 0.242 0.000 2.467 290 N HA 0.095 4.836 4.740 0.002 0.000 0.278 290 N C -0.392 175.287 175.510 0.282 0.000 1.306 290 N CA -0.105 53.125 53.050 0.300 0.000 0.905 290 N CB 1.070 39.656 38.487 0.165 0.000 1.236 290 N HN 0.455 8.835 8.380 -0.000 0.000 0.509 291 D N -0.242 120.314 120.400 0.259 0.000 2.431 291 D HA 0.108 4.749 4.640 0.002 0.000 0.213 291 D C 1.123 177.520 176.300 0.161 0.000 1.130 291 D CA 0.056 54.167 54.000 0.185 0.000 0.834 291 D CB 0.865 41.749 40.800 0.140 0.000 0.985 291 D HN 0.337 8.707 8.370 -0.000 0.000 0.504 292 G N 1.986 110.912 108.800 0.210 0.000 2.198 292 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 292 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 292 G C 0.263 175.264 174.900 0.169 0.000 1.025 292 G CA -0.001 45.224 45.100 0.208 0.000 0.769 292 G HN 0.360 8.650 8.290 -0.000 0.000 0.507 293 I N 0.288 120.880 120.570 0.036 0.000 2.392 293 I HA 0.256 4.427 4.170 0.002 0.000 0.295 293 I C -0.028 175.727 176.117 -0.604 0.000 0.985 293 I CA -0.863 60.335 61.300 -0.170 0.000 1.221 293 I CB 1.454 39.381 38.000 -0.123 0.000 1.366 293 I HN 0.032 8.242 8.210 -0.000 0.000 0.467 294 D N 5.632 125.529 120.400 -0.839 0.000 2.352 294 D HA 0.048 4.689 4.640 0.002 0.000 0.245 294 D C 1.036 176.976 176.300 -0.601 0.000 1.224 294 D CA -0.324 52.980 54.000 -1.161 0.000 0.879 294 D CB 1.418 41.745 40.800 -0.789 0.000 1.057 294 D HN 0.382 8.752 8.370 -0.000 0.000 0.491 295 V N 2.028 121.563 119.914 -0.633 0.000 3.383 295 V HA -0.060 4.062 4.120 0.002 0.000 0.272 295 V C 1.020 176.951 176.094 -0.271 0.000 1.181 295 V CA 0.828 62.853 62.300 -0.458 0.000 1.171 295 V CB -0.560 30.841 31.823 -0.704 0.000 0.800 295 V HN 0.392 8.582 8.190 -0.000 0.000 0.515 296 N N 0.778 119.334 118.700 -0.241 0.000 2.336 296 N HA 0.043 4.784 4.740 0.002 0.000 0.189 296 N C 0.403 175.847 175.510 -0.109 0.000 1.113 296 N CA 0.530 53.501 53.050 -0.132 0.000 0.858 296 N CB 0.064 38.498 38.487 -0.089 0.000 0.970 296 N HN 0.599 8.979 8.380 -0.000 0.000 0.471 297 D N 1.357 121.673 120.400 -0.141 0.000 2.522 297 D HA 0.125 4.766 4.640 0.002 0.000 0.218 297 D C 0.854 177.101 176.300 -0.089 0.000 1.149 297 D CA -0.147 53.793 54.000 -0.101 0.000 0.981 297 D CB 0.391 41.124 40.800 -0.110 0.000 1.041 297 D HN -0.040 8.330 8.370 -0.000 0.000 0.518 298 K N 1.241 121.603 120.400 -0.064 0.000 2.152 298 K HA -0.148 4.173 4.320 0.002 0.000 0.206 298 K C 1.658 178.236 176.600 -0.036 0.000 1.048 298 K CA 0.848 57.106 56.287 -0.047 0.000 0.933 298 K CB 0.272 32.754 32.500 -0.031 0.000 0.721 298 K HN 0.397 8.647 8.250 -0.000 0.000 0.447 299 Q N 0.846 120.626 119.800 -0.033 0.000 2.119 299 Q HA -0.129 4.212 4.340 0.002 0.000 0.201 299 Q C 1.914 177.889 176.000 -0.041 0.000 0.972 299 Q CA 1.237 57.025 55.803 -0.025 0.000 0.847 299 Q CB -0.072 28.651 28.738 -0.024 0.000 0.903 299 Q HN 0.292 8.562 8.270 -0.000 0.000 0.433 300 K N 0.502 120.866 120.400 -0.062 0.000 2.155 300 K HA -0.017 4.304 4.320 0.002 0.000 0.203 300 K C 2.120 178.652 176.600 -0.112 0.000 1.052 300 K CA 0.327 56.565 56.287 -0.082 0.000 0.948 300 K CB 0.063 32.510 32.500 -0.088 0.000 0.728 300 K HN 0.112 8.362 8.250 -0.000 0.000 0.448 301 L N 0.783 121.943 121.223 -0.103 0.000 2.093 301 L HA -0.174 4.167 4.340 0.002 0.000 0.208 301 L C 2.266 179.070 176.870 -0.109 0.000 1.085 301 L CA 1.272 56.041 54.840 -0.118 0.000 0.755 301 L CB -0.242 41.785 42.059 -0.052 0.000 0.904 301 L HN 0.125 8.355 8.230 -0.000 0.000 0.435 302 K N 0.187 120.562 120.400 -0.042 0.000 2.063 302 K HA -0.170 4.151 4.320 0.002 0.000 0.208 302 K C 2.017 178.616 176.600 -0.001 0.000 1.048 302 K CA 1.196 57.499 56.287 0.028 0.000 0.928 302 K CB -0.258 32.298 32.500 0.094 0.000 0.713 302 K HN 0.291 8.541 8.250 -0.000 0.000 0.442 303 L N 1.170 122.361 121.223 -0.053 0.000 2.261 303 L HA -0.205 4.136 4.340 0.002 0.000 0.216 303 L C 2.268 179.071 176.870 -0.111 0.000 1.114 303 L CA 0.837 55.637 54.840 -0.068 0.000 0.777 303 L CB -0.474 41.540 42.059 -0.075 0.000 0.910 303 L HN 0.225 8.455 8.230 -0.000 0.000 0.440 304 Q N 0.041 119.716 119.800 -0.208 0.000 2.364 304 Q HA -0.073 4.268 4.340 0.002 0.000 0.207 304 Q C 1.471 177.372 176.000 -0.165 0.000 0.970 304 Q CA 0.970 56.581 55.803 -0.320 0.000 0.888 304 Q CB 0.039 28.280 28.738 -0.828 0.000 0.951 304 Q HN 0.429 8.699 8.270 -0.000 0.000 0.469 305 R N 0.166 120.626 120.500 -0.067 0.000 2.543 305 R HA 0.142 4.484 4.340 0.002 0.000 0.323 305 R C -0.293 176.042 176.300 0.058 0.000 1.002 305 R CA -0.163 55.948 56.100 0.018 0.000 1.106 305 R CB 0.419 30.750 30.300 0.051 0.000 1.280 305 R HN 0.273 8.543 8.270 -0.000 0.000 0.549 306 E N 0.451 120.665 120.200 0.023 0.000 2.403 306 E HA -0.277 4.074 4.350 0.002 0.000 0.241 306 E C -0.858 175.773 176.600 0.052 0.000 1.201 306 E CA 0.646 57.057 56.400 0.018 0.000 0.721 306 E CB -1.307 28.395 29.700 0.003 0.000 1.245 306 E HN 0.294 8.654 8.360 -0.000 0.000 0.392 307 Y N 0.917 121.193 120.300 -0.040 0.000 2.301 307 Y HA 0.260 4.811 4.550 0.002 0.000 0.325 307 Y C 0.216 176.098 175.900 -0.029 0.000 1.203 307 Y CA 0.081 58.163 58.100 -0.030 0.000 1.255 307 Y CB 0.841 39.285 38.460 -0.028 0.000 1.232 307 Y HN -0.023 8.257 8.280 -0.000 0.000 0.501 308 Q N 4.109 123.365 119.800 -0.906 0.000 2.275 308 Q HA 0.613 4.954 4.340 0.002 0.000 0.258 308 Q C -0.809 174.611 176.000 -0.967 0.000 0.960 308 Q CA -0.557 54.852 55.803 -0.656 0.000 0.801 308 Q CB 2.150 30.694 28.738 -0.324 0.000 1.302 308 Q HN 1.034 9.304 8.270 -0.000 0.000 0.433 309 G N 1.248 109.681 108.800 -0.612 0.000 2.317 309 G HA2 0.009 3.970 3.960 0.002 0.000 0.293 309 G HA3 0.009 3.970 3.960 0.002 0.000 0.293 309 G C -0.446 174.490 174.900 0.061 0.000 1.287 309 G CA -0.670 44.267 45.100 -0.272 0.000 0.850 309 G HN 0.415 8.705 8.290 -0.000 0.000 0.515 310 N N -0.119 118.645 118.700 0.108 0.000 2.331 310 N HA 0.063 4.804 4.740 0.002 0.000 0.180 310 N C 1.563 177.138 175.510 0.108 0.000 1.019 310 N CA 1.146 54.248 53.050 0.086 0.000 0.881 310 N CB -0.244 38.270 38.487 0.045 0.000 0.972 310 N HN 0.792 9.172 8.380 -0.000 0.000 0.435 311 G N 0.011 108.920 108.800 0.182 0.000 2.570 311 G HA2 0.323 4.284 3.960 0.002 0.000 0.276 311 G HA3 0.323 4.284 3.960 0.002 0.000 0.276 311 G C -0.226 174.675 174.900 0.002 0.000 1.346 311 G CA -0.288 44.827 45.100 0.025 0.000 1.034 311 G HN 0.100 8.390 8.290 -0.000 0.000 0.512 312 E N -2.230 117.883 120.200 -0.146 0.000 2.410 312 E HA 0.508 4.860 4.350 0.002 0.000 0.269 312 E C -1.276 175.195 176.600 -0.215 0.000 0.937 312 E CA -0.819 55.506 56.400 -0.125 0.000 0.793 312 E CB 2.693 32.343 29.700 -0.084 0.000 1.314 312 E HN 0.176 8.536 8.360 -0.000 0.000 0.447 313 V N 1.701 121.538 119.914 -0.128 0.000 2.459 313 V HA 0.382 4.503 4.120 0.002 0.000 0.295 313 V C -0.479 175.621 176.094 0.010 0.000 1.029 313 V CA -0.587 61.661 62.300 -0.087 0.000 0.874 313 V CB 1.420 33.211 31.823 -0.054 0.000 0.985 313 V HN 0.512 8.702 8.190 -0.000 0.000 0.438 314 K N 2.179 122.617 120.400 0.063 0.000 2.378 314 K HA 0.414 4.735 4.320 0.002 0.000 0.252 314 K C -1.277 175.394 176.600 0.119 0.000 0.931 314 K CA -0.893 55.457 56.287 0.106 0.000 0.794 314 K CB 2.311 34.892 32.500 0.136 0.000 1.181 314 K HN 0.668 8.918 8.250 -0.000 0.000 0.425 315 D N 2.832 123.285 120.400 0.089 0.000 2.336 315 D HA 0.193 4.834 4.640 0.002 0.000 0.249 315 D C -0.852 175.440 176.300 -0.013 0.000 1.213 315 D CA -0.314 53.638 54.000 -0.079 0.000 0.870 315 D CB 0.718 41.500 40.800 -0.029 0.000 1.076 315 D HN 0.283 8.653 8.370 -0.000 0.000 0.483 316 V N 2.465 122.327 119.914 -0.087 0.000 2.823 316 V HA 0.666 4.787 4.120 0.002 0.000 0.312 316 V C -2.220 173.817 176.094 -0.095 0.000 1.072 316 V CA -1.751 60.507 62.300 -0.070 0.000 0.937 316 V CB 2.218 33.990 31.823 -0.086 0.000 1.013 316 V HN 0.314 8.504 8.190 -0.000 0.000 0.430 317 P HA 0.165 4.585 4.420 -0.000 0.000 0.249 317 P C 1.267 178.536 177.300 -0.051 0.000 1.229 317 P CA 0.940 63.991 63.100 -0.081 0.000 0.788 317 P CB 0.556 32.212 31.700 -0.074 0.000 1.072 318 A N 1.585 124.383 122.820 -0.037 0.000 1.997 318 A HA -0.199 4.122 4.320 0.002 0.000 0.221 318 A C 2.221 179.776 177.584 -0.049 0.000 1.172 318 A CA 2.451 54.441 52.037 -0.079 0.000 0.645 318 A CB -1.369 17.595 19.000 -0.060 0.000 0.813 318 A HN 0.422 8.572 8.150 -0.000 0.000 0.454 319 S N -1.918 113.850 115.700 0.113 0.000 2.556 319 S HA 0.422 4.894 4.470 0.002 0.000 0.216 319 S C 0.641 175.306 174.600 0.108 0.000 0.970 319 S CA -0.362 57.953 58.200 0.192 0.000 0.912 319 S CB -0.322 63.039 63.200 0.268 0.000 0.790 319 S HN 0.447 8.757 8.310 -0.000 0.000 0.504 320 M N 2.286 121.905 119.600 0.032 0.000 2.227 320 M HA 0.294 4.775 4.480 0.002 0.000 0.316 320 M C -0.350 175.963 176.300 0.023 0.000 1.144 320 M CA -0.474 54.828 55.300 0.002 0.000 1.121 320 M CB 0.338 32.875 32.600 -0.105 0.000 1.440 320 M HN 0.093 8.383 8.290 -0.000 0.000 0.473 321 D N 1.709 122.128 120.400 0.031 0.000 2.399 321 D HA 0.052 4.693 4.640 0.002 0.000 0.241 321 D C 0.060 176.378 176.300 0.029 0.000 1.133 321 D CA 0.509 54.535 54.000 0.042 0.000 0.890 321 D CB 0.270 41.100 40.800 0.050 0.000 1.201 321 D HN 0.540 8.910 8.370 -0.000 0.000 0.432 322 N N -0.423 118.303 118.700 0.043 0.000 2.780 322 N HA -0.148 4.593 4.740 0.002 0.000 0.248 322 N C -1.178 174.351 175.510 0.032 0.000 1.102 322 N CA 0.364 53.437 53.050 0.040 0.000 0.697 322 N CB -1.186 37.319 38.487 0.030 0.000 1.028 322 N HN 0.126 8.506 8.380 -0.000 0.000 0.554 323 V N 0.452 120.387 119.914 0.036 0.000 2.656 323 V HA 0.408 4.530 4.120 0.002 0.000 0.307 323 V C 0.468 176.592 176.094 0.050 0.000 1.051 323 V CA -0.871 61.443 62.300 0.024 0.000 0.893 323 V CB 2.619 34.438 31.823 -0.007 0.000 0.999 323 V HN -0.062 8.128 8.190 -0.000 0.000 0.426 324 V N 3.722 123.672 119.914 0.059 0.000 2.389 324 V HA 0.257 4.378 4.120 0.002 0.000 0.264 324 V C 0.502 176.621 176.094 0.042 0.000 1.049 324 V CA -0.013 62.354 62.300 0.112 0.000 0.932 324 V CB 1.187 33.078 31.823 0.114 0.000 1.011 324 V HN 0.979 9.169 8.190 -0.000 0.000 0.475 325 T N 5.371 119.919 114.554 -0.009 0.000 2.744 325 T HA 0.449 4.801 4.350 0.002 0.000 0.291 325 T C -0.115 174.526 174.700 -0.098 0.000 0.957 325 T CA -0.272 61.746 62.100 -0.135 0.000 1.002 325 T CB 1.227 69.884 68.868 -0.352 0.000 0.919 325 T HN 0.335 8.575 8.240 -0.000 0.000 0.468 326 V N 3.517 123.395 119.914 -0.060 0.000 2.347 326 V HA 0.641 4.762 4.120 0.002 0.000 0.280 326 V C 0.904 177.008 176.094 0.017 0.000 1.021 326 V CA -0.808 61.492 62.300 -0.001 0.000 0.847 326 V CB 1.353 33.200 31.823 0.040 0.000 0.990 326 V HN 1.002 9.192 8.190 -0.000 0.000 0.444 327 G N 2.661 111.475 108.800 0.023 0.000 2.547 327 G HA2 0.519 4.480 3.960 0.002 0.000 0.291 327 G HA3 0.519 4.480 3.960 0.002 0.000 0.291 327 G C -0.372 174.570 174.900 0.071 0.000 1.211 327 G CA -0.351 44.783 45.100 0.056 0.000 0.950 327 G HN 0.705 8.995 8.290 -0.000 0.000 0.504 328 S N -1.118 114.622 115.700 0.067 0.000 2.503 328 S HA 0.734 5.205 4.470 0.002 0.000 0.301 328 S C 0.149 174.745 174.600 -0.006 0.000 1.087 328 S CA -0.388 57.861 58.200 0.081 0.000 1.042 328 S CB 1.220 64.538 63.200 0.196 0.000 1.043 328 S HN 1.042 9.352 8.310 -0.000 0.000 0.489 329 T N 1.253 115.848 114.554 0.068 0.000 2.940 329 T HA 0.649 5.000 4.350 0.002 0.000 0.288 329 T C -0.475 174.295 174.700 0.117 0.000 1.033 329 T CA -0.866 61.282 62.100 0.080 0.000 1.033 329 T CB 1.206 70.171 68.868 0.161 0.000 1.079 329 T HN 0.661 8.901 8.240 -0.000 0.000 0.496 330 D N 0.240 120.679 120.400 0.066 0.000 2.511 330 D HA 0.119 4.760 4.640 0.002 0.000 0.276 330 D C 1.480 177.816 176.300 0.060 0.000 1.220 330 D CA -0.710 53.328 54.000 0.064 0.000 1.077 330 D CB 0.390 41.145 40.800 -0.076 0.000 1.126 330 D HN 0.522 8.892 8.370 -0.000 0.000 0.583 331 Q N -0.292 119.357 119.800 -0.253 0.000 2.436 331 Q HA -0.125 4.217 4.340 0.002 0.000 0.209 331 Q C 0.484 176.373 176.000 -0.184 0.000 0.965 331 Q CA 1.207 56.703 55.803 -0.513 0.000 0.910 331 Q CB -0.325 27.677 28.738 -1.227 0.000 0.980 331 Q HN 0.562 8.832 8.270 -0.000 0.000 0.491 332 K N 0.337 120.668 120.400 -0.114 0.000 2.397 332 K HA 0.216 4.538 4.320 0.002 0.000 0.202 332 K C -0.050 176.538 176.600 -0.019 0.000 1.022 332 K CA 0.307 56.557 56.287 -0.062 0.000 1.141 332 K CB 0.480 32.935 32.500 -0.074 0.000 0.857 332 K HN 0.080 8.330 8.250 -0.000 0.000 0.514 333 S N 0.720 116.433 115.700 0.022 0.000 3.084 333 S HA -0.114 4.357 4.470 0.002 0.000 0.277 333 S C -0.050 174.590 174.600 0.067 0.000 1.295 333 S CA 0.622 58.848 58.200 0.043 0.000 1.170 333 S CB -1.018 62.181 63.200 -0.001 0.000 1.412 333 S HN 0.463 8.773 8.310 -0.000 0.000 0.669 334 N N 0.797 119.536 118.700 0.065 0.000 2.493 334 N HA 0.460 5.202 4.740 0.002 0.000 0.275 334 N C -0.144 175.436 175.510 0.116 0.000 1.186 334 N CA -0.590 52.538 53.050 0.130 0.000 0.978 334 N CB 0.420 38.920 38.487 0.021 0.000 1.184 334 N HN 0.267 8.647 8.380 -0.000 0.000 0.487 335 L N 1.188 122.443 121.223 0.054 0.000 2.499 335 L HA 0.020 4.362 4.340 0.002 0.000 0.273 335 L C 0.192 176.916 176.870 -0.244 0.000 1.195 335 L CA 0.416 55.129 54.840 -0.212 0.000 0.882 335 L CB 0.006 41.752 42.059 -0.523 0.000 1.133 335 L HN 0.432 8.662 8.230 -0.000 0.000 0.483 336 S N 3.952 119.453 115.700 -0.332 0.000 2.558 336 S HA -0.006 4.465 4.470 0.002 0.000 0.288 336 S C 1.222 175.503 174.600 -0.532 0.000 1.318 336 S CA -0.041 57.804 58.200 -0.591 0.000 1.056 336 S CB 0.543 62.984 63.200 -1.265 0.000 0.853 336 S HN 0.757 9.067 8.310 -0.000 0.000 0.505 337 E N 3.012 122.978 120.200 -0.390 0.000 2.265 337 E HA -0.210 4.141 4.350 0.002 0.000 0.196 337 E C 1.200 177.770 176.600 -0.049 0.000 0.996 337 E CA 1.230 57.530 56.400 -0.166 0.000 0.832 337 E CB -0.432 29.236 29.700 -0.053 0.000 0.756 337 E HN 0.860 9.220 8.360 -0.000 0.000 0.491 338 F N 0.637 120.651 119.950 0.107 0.000 2.776 338 F HA 0.358 4.886 4.527 0.002 0.000 0.300 338 F C 1.166 177.052 175.800 0.142 0.000 1.116 338 F CA -0.408 57.672 58.000 0.134 0.000 1.375 338 F CB -0.063 39.045 39.000 0.180 0.000 1.109 338 F HN -0.167 8.133 8.300 -0.000 0.000 0.585 339 S N 1.812 117.519 115.700 0.012 0.000 2.528 339 S HA 0.180 4.651 4.470 0.002 0.000 0.277 339 S C 0.161 174.922 174.600 0.267 0.000 1.297 339 S CA -0.726 57.576 58.200 0.170 0.000 1.052 339 S CB -0.088 63.109 63.200 -0.005 0.000 0.917 339 S HN 0.275 8.585 8.310 -0.000 0.000 0.492 340 N N 2.869 121.744 118.700 0.292 0.000 2.371 340 N HA 0.511 5.252 4.740 0.002 0.000 0.243 340 N C -0.347 175.383 175.510 0.368 0.000 1.287 340 N CA 0.167 53.355 53.050 0.230 0.000 0.911 340 N CB 0.145 38.728 38.487 0.162 0.000 1.142 340 N HN 0.659 9.039 8.380 -0.000 0.000 0.451 341 F N -3.292 116.673 119.950 0.024 0.000 2.877 341 F HA 0.800 5.328 4.527 0.003 0.000 0.319 341 F C -0.074 175.699 175.800 -0.045 0.000 1.174 341 F CA -0.858 57.184 58.000 0.069 0.000 0.903 341 F CB 1.019 39.990 39.000 -0.049 0.000 1.357 341 F HN 0.636 8.936 8.300 -0.000 0.000 0.472 342 G N 0.969 109.909 108.800 0.234 0.000 2.337 342 G HA2 0.377 4.339 3.960 0.002 0.000 0.310 342 G HA3 0.377 4.339 3.960 0.002 0.000 0.310 342 G C -1.701 173.316 174.900 0.195 0.000 1.534 342 G CA -1.210 43.937 45.100 0.077 0.000 0.982 342 G HN 0.683 8.973 8.290 -0.000 0.000 0.672 343 M N 1.471 121.164 119.600 0.155 0.000 2.249 343 M HA 0.139 4.620 4.480 0.002 0.000 0.340 343 M C 0.950 177.355 176.300 0.174 0.000 1.166 343 M CA 0.331 55.738 55.300 0.178 0.000 1.115 343 M CB -0.239 32.430 32.600 0.115 0.000 1.606 343 M HN 0.776 9.066 8.290 -0.000 0.000 0.448 344 N N 1.596 120.416 118.700 0.199 0.000 2.721 344 N HA -0.272 4.469 4.740 0.002 0.000 0.249 344 N C -0.461 175.188 175.510 0.230 0.000 1.072 344 N CA 1.157 54.313 53.050 0.176 0.000 0.710 344 N CB -1.498 37.057 38.487 0.114 0.000 0.993 344 N HN 0.848 9.228 8.380 -0.000 0.000 0.547 345 Y N -0.626 119.720 120.300 0.078 0.000 3.261 345 Y HA 0.160 4.711 4.550 0.002 0.000 0.157 345 Y C 0.330 176.248 175.900 0.031 0.000 0.889 345 Y CA 0.624 58.751 58.100 0.045 0.000 1.869 345 Y CB -0.014 38.459 38.460 0.021 0.000 1.379 345 Y HN -0.046 8.234 8.280 -0.000 0.000 0.306 346 T N 3.776 118.369 114.554 0.066 0.000 2.853 346 T HA 0.062 4.413 4.350 0.002 0.000 0.298 346 T C -0.027 174.552 174.700 -0.201 0.000 0.978 346 T CA 0.590 62.623 62.100 -0.112 0.000 1.152 346 T CB 0.455 69.312 68.868 -0.018 0.000 0.914 346 T HN 0.371 8.611 8.240 -0.000 0.000 0.539 347 D N 1.646 121.934 120.400 -0.186 0.000 2.380 347 D HA 0.302 4.943 4.640 0.002 0.000 0.212 347 D C 0.620 176.782 176.300 -0.229 0.000 1.021 347 D CA 0.331 54.188 54.000 -0.238 0.000 0.884 347 D CB 0.934 41.697 40.800 -0.063 0.000 1.001 347 D HN 0.463 8.833 8.370 -0.000 0.000 0.506 348 I N -0.694 119.823 120.570 -0.089 0.000 2.961 348 I HA 0.472 4.643 4.170 0.002 0.000 0.303 348 I C -2.140 173.993 176.117 0.027 0.000 1.505 348 I CA -0.749 60.556 61.300 0.008 0.000 0.964 348 I CB 2.031 40.127 38.000 0.160 0.000 1.348 348 I HN -0.141 8.069 8.210 -0.000 0.000 0.508 349 A N 3.572 126.435 122.820 0.072 0.000 2.454 349 A HA 1.021 5.343 4.320 0.002 0.000 0.302 349 A C -1.419 176.228 177.584 0.105 0.000 1.079 349 A CA 0.002 52.093 52.037 0.090 0.000 0.731 349 A CB 1.801 20.879 19.000 0.130 0.000 1.299 349 A HN 1.275 9.425 8.150 -0.000 0.000 0.413 350 A N 1.099 123.979 122.820 0.100 0.000 2.566 350 A HA 0.921 5.242 4.320 0.002 0.000 0.292 350 A C -3.201 174.448 177.584 0.108 0.000 1.112 350 A CA -1.773 50.322 52.037 0.096 0.000 0.707 350 A CB 1.284 20.329 19.000 0.075 0.000 1.302 350 A HN 0.475 8.625 8.150 -0.000 0.000 0.409 351 P HA 0.292 4.712 4.420 -0.000 0.000 0.271 351 P C 0.603 177.968 177.300 0.109 0.000 1.233 351 P CA 0.621 63.808 63.100 0.146 0.000 0.764 351 P CB 0.935 32.713 31.700 0.131 0.000 0.825 352 G N 1.957 110.879 108.800 0.203 0.000 3.342 352 G HA2 0.507 4.468 3.960 0.002 0.000 0.252 352 G HA3 0.507 4.468 3.960 0.002 0.000 0.252 352 G C 0.447 175.573 174.900 0.376 0.000 1.011 352 G CA 0.276 45.525 45.100 0.248 0.000 0.869 352 G HN 0.863 9.153 8.290 -0.000 0.000 0.514 353 G N -0.815 108.238 108.800 0.421 0.000 2.466 353 G HA2 0.380 4.341 3.960 0.002 0.000 0.316 353 G HA3 0.380 4.341 3.960 0.002 0.000 0.316 353 G C -0.518 174.550 174.900 0.281 0.000 1.270 353 G CA 0.248 45.604 45.100 0.426 0.000 0.982 353 G HN 1.455 9.745 8.290 -0.000 0.000 0.506 354 S N -2.318 113.464 115.700 0.137 0.000 2.595 354 S HA 0.718 5.189 4.470 0.002 0.000 0.270 354 S C -1.194 173.288 174.600 -0.197 0.000 1.145 354 S CA 0.067 58.294 58.200 0.045 0.000 0.825 354 S CB 0.968 64.141 63.200 -0.045 0.000 1.107 354 S HN 1.315 9.625 8.310 -0.000 0.000 0.461 355 F N 1.566 121.656 119.950 0.232 0.000 2.735 355 F HA 0.463 4.992 4.527 0.003 0.000 0.308 355 F C 1.757 177.535 175.800 -0.036 0.000 1.112 355 F CA 0.200 58.253 58.000 0.088 0.000 1.235 355 F CB 0.219 39.215 39.000 -0.007 0.000 1.027 355 F HN 0.679 8.979 8.300 -0.000 0.000 0.528 356 A N -0.403 122.447 122.820 0.050 0.000 1.908 356 A HA -0.214 4.107 4.320 0.002 0.000 0.218 356 A C 1.781 179.312 177.584 -0.089 0.000 1.181 356 A CA 1.843 53.830 52.037 -0.083 0.000 0.627 356 A CB -0.916 17.964 19.000 -0.200 0.000 0.818 356 A HN 0.380 8.530 8.150 -0.000 0.000 0.445 357 Y N -0.744 119.580 120.300 0.039 0.000 2.181 357 Y HA -0.140 4.411 4.550 0.002 0.000 0.288 357 Y C 2.248 178.148 175.900 0.001 0.000 1.146 357 Y CA 1.019 59.153 58.100 0.056 0.000 1.164 357 Y CB -0.823 37.839 38.460 0.337 0.000 0.982 357 Y HN 0.337 8.617 8.280 -0.000 0.000 0.515 358 L N 0.737 121.940 121.223 -0.034 0.000 2.012 358 L HA -0.238 4.103 4.340 0.002 0.000 0.210 358 L C 1.791 178.523 176.870 -0.231 0.000 1.073 358 L CA 1.944 56.471 54.840 -0.521 0.000 0.748 358 L CB -1.065 40.227 42.059 -1.278 0.000 0.891 358 L HN 0.161 8.391 8.230 -0.000 0.000 0.431 359 N N -0.633 117.960 118.700 -0.177 0.000 2.381 359 N HA -0.199 4.542 4.740 0.002 0.000 0.182 359 N C 1.749 177.155 175.510 -0.173 0.000 1.025 359 N CA 1.243 54.203 53.050 -0.150 0.000 0.888 359 N CB -0.043 38.377 38.487 -0.112 0.000 0.965 359 N HN 0.655 9.035 8.380 -0.000 0.000 0.438 360 Q N -0.664 118.985 119.800 -0.252 0.000 2.134 360 Q HA 0.029 4.370 4.340 0.002 0.000 0.195 360 Q C 0.755 176.491 176.000 -0.439 0.000 0.958 360 Q CA 0.919 56.452 55.803 -0.451 0.000 0.840 360 Q CB 0.148 28.404 28.738 -0.803 0.000 0.918 360 Q HN 0.169 8.439 8.270 -0.000 0.000 0.467 361 F N -0.120 119.785 119.950 -0.074 0.000 2.749 361 F HA 0.374 4.903 4.527 0.002 0.000 0.300 361 F C 0.975 176.764 175.800 -0.019 0.000 1.103 361 F CA 0.666 58.619 58.000 -0.078 0.000 1.342 361 F CB 0.618 39.497 39.000 -0.201 0.000 1.098 361 F HN 0.202 8.502 8.300 -0.000 0.000 0.586 362 G N 0.313 109.185 108.800 0.120 0.000 2.730 362 G HA2 -0.183 3.779 3.960 0.002 0.000 0.686 362 G HA3 -0.183 3.779 3.960 0.002 0.000 0.686 362 G C 0.479 175.479 174.900 0.166 0.000 1.343 362 G CA -0.419 44.735 45.100 0.090 0.000 0.826 362 G HN 0.068 8.358 8.290 -0.000 0.000 0.582 363 V N 0.318 120.314 119.914 0.138 0.000 2.515 363 V HA -0.076 4.045 4.120 0.002 0.000 0.250 363 V C 2.444 178.701 176.094 0.272 0.000 1.058 363 V CA 3.212 65.662 62.300 0.251 0.000 1.064 363 V CB -0.490 31.440 31.823 0.179 0.000 0.675 363 V HN 0.965 9.155 8.190 -0.000 0.000 0.461 364 D N -0.201 120.302 120.400 0.171 0.000 2.092 364 D HA -0.193 4.448 4.640 0.002 0.000 0.193 364 D C 2.238 178.616 176.300 0.130 0.000 0.994 364 D CA 1.638 55.712 54.000 0.124 0.000 0.828 364 D CB -0.155 40.694 40.800 0.082 0.000 0.963 364 D HN 0.337 8.707 8.370 -0.000 0.000 0.450 365 K N -0.492 120.004 120.400 0.159 0.000 2.026 365 K HA -0.161 4.160 4.320 0.002 0.000 0.208 365 K C 2.187 178.952 176.600 0.274 0.000 1.048 365 K CA 0.952 57.337 56.287 0.163 0.000 0.929 365 K CB -0.753 31.824 32.500 0.128 0.000 0.713 365 K HN 0.336 8.586 8.250 -0.000 0.000 0.439 366 W N 1.647 123.031 121.300 0.140 0.000 2.317 366 W HA -0.247 4.414 4.660 0.003 0.000 0.318 366 W C 2.310 178.855 176.519 0.043 0.000 1.227 366 W CA 1.943 59.385 57.345 0.162 0.000 1.269 366 W CB -0.403 29.149 29.460 0.155 0.000 1.155 366 W HN 0.024 8.204 8.180 -0.000 0.000 0.484 367 M N 0.363 119.992 119.600 0.050 0.000 2.236 367 M HA -0.061 4.420 4.480 0.002 0.000 0.266 367 M C 1.194 177.356 176.300 -0.230 0.000 1.070 367 M CA 1.668 56.847 55.300 -0.202 0.000 1.137 367 M CB -0.364 32.235 32.600 -0.001 0.000 1.378 367 M HN -0.142 8.148 8.290 -0.000 0.000 0.426 368 N N -0.455 118.180 118.700 -0.109 0.000 2.205 368 N HA 0.089 4.830 4.740 0.002 0.000 0.201 368 N C -0.066 175.357 175.510 -0.145 0.000 1.128 368 N CA 0.334 53.315 53.050 -0.115 0.000 0.867 368 N CB 0.399 38.858 38.487 -0.047 0.000 0.996 368 N HN 0.481 8.861 8.380 -0.000 0.000 0.503 369 E N -0.322 119.771 120.200 -0.178 0.000 2.651 369 E HA 0.250 4.601 4.350 0.002 0.000 0.208 369 E C 0.439 176.727 176.600 -0.520 0.000 0.997 369 E CA -0.273 55.961 56.400 -0.277 0.000 1.020 369 E CB 0.607 30.185 29.700 -0.202 0.000 1.052 369 E HN 0.241 8.601 8.360 -0.000 0.000 0.465 370 G N 0.853 109.365 108.800 -0.481 0.000 2.205 370 G HA2 -0.387 3.574 3.960 0.002 0.000 0.261 370 G HA3 -0.387 3.574 3.960 0.002 0.000 0.261 370 G C 0.671 175.229 174.900 -0.570 0.000 0.980 370 G CA 0.598 45.379 45.100 -0.532 0.000 0.632 370 G HN 0.355 8.645 8.290 -0.000 0.000 0.533 371 Y N -0.391 119.662 120.300 -0.412 0.000 2.181 371 Y HA -0.002 4.549 4.550 0.003 0.000 0.288 371 Y C 3.009 178.735 175.900 -0.291 0.000 1.146 371 Y CA 1.927 59.810 58.100 -0.362 0.000 1.164 371 Y CB -0.417 37.906 38.460 -0.228 0.000 0.982 371 Y HN 0.353 8.633 8.280 -0.000 0.000 0.515 372 M N -0.374 118.845 119.600 -0.635 0.000 2.159 372 M HA -0.221 4.260 4.480 0.002 0.000 0.263 372 M C 1.625 177.650 176.300 -0.459 0.000 1.063 372 M CA 1.941 56.677 55.300 -0.939 0.000 1.110 372 M CB -0.676 30.834 32.600 -1.816 0.000 1.374 372 M HN 0.338 8.628 8.290 -0.000 0.000 0.411 373 H N 0.182 118.961 119.070 -0.486 0.000 2.457 373 H HA -0.028 4.529 4.556 0.002 0.000 0.294 373 H C 1.902 177.263 175.328 0.054 0.000 1.064 373 H CA 1.204 57.061 56.048 -0.319 0.000 1.330 373 H CB -0.402 29.214 29.762 -0.244 0.000 1.395 373 H HN 0.448 8.728 8.280 -0.000 0.000 0.541 374 K N 0.332 120.763 120.400 0.052 0.000 2.228 374 K HA -0.073 4.248 4.320 0.002 0.000 0.202 374 K C 1.683 178.141 176.600 -0.237 0.000 1.051 374 K CA 1.300 57.532 56.287 -0.090 0.000 0.960 374 K CB 0.296 32.779 32.500 -0.029 0.000 0.743 374 K HN 0.553 8.803 8.250 -0.000 0.000 0.458 375 E N -0.534 119.748 120.200 0.137 0.000 2.562 375 E HA 0.111 4.462 4.350 0.002 0.000 0.214 375 E C -0.150 176.709 176.600 0.432 0.000 0.979 375 E CA -0.301 56.201 56.400 0.171 0.000 1.002 375 E CB 0.364 30.206 29.700 0.235 0.000 1.048 375 E HN -0.024 8.336 8.360 -0.000 0.000 0.488 376 N N 0.804 119.818 118.700 0.523 0.000 2.432 376 N HA 0.368 5.109 4.740 0.002 0.000 0.292 376 N C -0.914 174.946 175.510 0.585 0.000 1.193 376 N CA -0.678 52.659 53.050 0.480 0.000 0.878 376 N CB 1.233 39.948 38.487 0.379 0.000 1.252 376 N HN 0.028 8.408 8.380 -0.000 0.000 0.520 377 I N 1.793 122.549 120.570 0.310 0.000 2.315 377 I HA 0.219 4.390 4.170 0.002 0.000 0.291 377 I C -0.081 176.001 176.117 -0.058 0.000 1.006 377 I CA -0.721 60.591 61.300 0.021 0.000 1.265 377 I CB 0.564 38.520 38.000 -0.073 0.000 1.387 377 I HN 0.325 8.535 8.210 -0.000 0.000 0.475 378 L N 7.091 128.150 121.223 -0.274 0.000 2.361 378 L HA 0.413 4.754 4.340 0.002 0.000 0.278 378 L C 0.194 176.885 176.870 -0.300 0.000 1.113 378 L CA 1.018 55.525 54.840 -0.556 0.000 0.849 378 L CB 0.792 42.459 42.059 -0.653 0.000 1.155 378 L HN 0.783 9.013 8.230 -0.000 0.000 0.452 379 T N 2.005 116.439 114.554 -0.200 0.000 2.787 379 T HA 0.540 4.891 4.350 0.002 0.000 0.297 379 T C -0.630 174.072 174.700 0.002 0.000 1.221 379 T CA -0.006 62.034 62.100 -0.100 0.000 1.006 379 T CB 1.090 69.879 68.868 -0.130 0.000 1.328 379 T HN 0.750 8.990 8.240 -0.000 0.000 0.509 380 T N 1.076 115.584 114.554 -0.077 0.000 2.919 380 T HA 0.668 5.020 4.350 0.002 0.000 0.302 380 T C 0.143 174.720 174.700 -0.206 0.000 1.031 380 T CA -0.510 61.442 62.100 -0.246 0.000 1.127 380 T CB 0.683 69.179 68.868 -0.620 0.000 0.952 380 T HN 0.870 9.110 8.240 -0.000 0.000 0.540 381 A N 2.490 125.215 122.820 -0.158 0.000 2.386 381 A HA 0.608 4.929 4.320 0.002 0.000 0.308 381 A C 1.038 178.615 177.584 -0.012 0.000 1.128 381 A CA -1.016 50.977 52.037 -0.074 0.000 0.789 381 A CB 0.999 19.972 19.000 -0.045 0.000 1.325 381 A HN 0.867 9.017 8.150 -0.000 0.000 0.437 382 N N 0.509 119.201 118.700 -0.013 0.000 2.515 382 N HA -0.113 4.629 4.740 0.002 0.000 0.191 382 N C 0.125 175.630 175.510 -0.008 0.000 1.182 382 N CA 0.885 53.938 53.050 0.004 0.000 0.879 382 N CB -0.327 38.158 38.487 -0.002 0.000 0.984 382 N HN 0.608 8.988 8.380 -0.000 0.000 0.453 383 N N -0.845 117.839 118.700 -0.026 0.000 2.270 383 N HA 0.159 4.901 4.740 0.002 0.000 0.198 383 N C 1.121 176.564 175.510 -0.112 0.000 1.117 383 N CA 0.351 53.369 53.050 -0.052 0.000 0.845 383 N CB -0.163 38.299 38.487 -0.041 0.000 0.980 383 N HN 0.251 8.631 8.380 -0.000 0.000 0.486 384 G N -0.388 108.325 108.800 -0.145 0.000 2.199 384 G HA2 -0.321 3.641 3.960 0.002 0.000 0.254 384 G HA3 -0.321 3.641 3.960 0.002 0.000 0.254 384 G C 0.521 175.050 174.900 -0.618 0.000 0.982 384 G CA 0.461 45.306 45.100 -0.425 0.000 0.632 384 G HN 0.503 8.793 8.290 -0.000 0.000 0.529 385 R N -1.525 118.748 120.500 -0.378 0.000 3.006 385 R HA 0.740 5.081 4.340 0.002 0.000 0.150 385 R C -0.333 175.487 176.300 -0.800 0.000 1.285 385 R CA -0.531 55.244 56.100 -0.542 0.000 0.813 385 R CB 0.433 30.633 30.300 -0.166 0.000 1.582 385 R HN 0.216 8.486 8.270 -0.000 0.000 0.441 386 Y N -0.579 119.745 120.300 0.040 0.000 2.605 386 Y HA 0.648 5.200 4.550 0.003 0.000 0.343 386 Y C -0.440 175.429 175.900 -0.051 0.000 1.036 386 Y CA -0.893 57.188 58.100 -0.031 0.000 1.065 386 Y CB 1.875 40.278 38.460 -0.095 0.000 1.288 386 Y HN 0.287 8.567 8.280 -0.000 0.000 0.481 387 I N 0.188 120.783 120.570 0.042 0.000 2.918 387 I HA 0.415 4.586 4.170 0.002 0.000 0.301 387 I C -1.967 174.119 176.117 -0.053 0.000 1.312 387 I CA -0.963 60.360 61.300 0.038 0.000 1.007 387 I CB 2.270 40.305 38.000 0.058 0.000 1.281 387 I HN 0.587 8.797 8.210 -0.000 0.000 0.440 388 Y N 5.118 125.478 120.300 0.099 0.000 2.335 388 Y HA 0.541 5.092 4.550 0.001 0.000 0.339 388 Y C 0.050 176.035 175.900 0.142 0.000 0.987 388 Y CA -0.208 57.958 58.100 0.109 0.000 1.140 388 Y CB 1.268 39.803 38.460 0.126 0.000 1.173 388 Y HN 0.401 8.681 8.280 -0.000 0.000 0.486 389 Q N 1.638 121.594 119.800 0.261 0.000 2.687 389 Q HA 0.884 5.226 4.340 0.002 0.000 0.305 389 Q C -1.381 174.731 176.000 0.186 0.000 1.006 389 Q CA -1.235 54.707 55.803 0.231 0.000 0.763 389 Q CB 2.688 31.507 28.738 0.136 0.000 1.506 389 Q HN 0.660 8.930 8.270 -0.000 0.000 0.459 390 A N -0.699 122.209 122.820 0.146 0.000 2.539 390 A HA 0.965 5.286 4.320 0.002 0.000 0.296 390 A C -0.657 176.883 177.584 -0.074 0.000 1.073 390 A CA 0.022 52.084 52.037 0.042 0.000 0.700 390 A CB 2.117 20.990 19.000 -0.211 0.000 1.296 390 A HN 0.892 9.042 8.150 -0.000 0.000 0.405 391 G N -0.805 107.985 108.800 -0.017 0.000 2.345 391 G HA2 0.482 4.443 3.960 0.002 0.000 0.310 391 G HA3 0.482 4.443 3.960 0.002 0.000 0.310 391 G C 0.367 175.405 174.900 0.231 0.000 1.476 391 G CA 0.725 45.767 45.100 -0.096 0.000 0.978 391 G HN 1.834 10.124 8.290 -0.000 0.000 0.656 392 T N -1.712 113.023 114.554 0.301 0.000 2.929 392 T HA -0.104 4.247 4.350 0.002 0.000 0.271 392 T C 2.658 177.455 174.700 0.161 0.000 1.085 392 T CA 2.542 64.794 62.100 0.253 0.000 1.125 392 T CB -0.375 68.636 68.868 0.239 0.000 0.874 392 T HN 1.778 10.018 8.240 -0.000 0.000 0.494 393 S N 1.594 117.386 115.700 0.153 0.000 2.442 393 S HA 0.077 4.549 4.470 0.002 0.000 0.236 393 S C 1.865 176.507 174.600 0.070 0.000 1.007 393 S CA 0.570 58.864 58.200 0.156 0.000 0.965 393 S CB -0.781 62.624 63.200 0.342 0.000 0.773 393 S HN 0.600 8.910 8.310 -0.000 0.000 0.504 394 L N 0.124 121.382 121.223 0.060 0.000 2.529 394 L HA 0.360 4.701 4.340 0.002 0.000 0.223 394 L C 2.766 179.650 176.870 0.022 0.000 1.113 394 L CA 0.594 55.438 54.840 0.006 0.000 0.861 394 L CB -0.430 41.626 42.059 -0.005 0.000 1.012 394 L HN 0.433 8.663 8.230 -0.000 0.000 0.461 395 A N -0.014 122.847 122.820 0.069 0.000 1.903 395 A HA -0.066 4.255 4.320 0.002 0.000 0.213 395 A C 2.306 179.923 177.584 0.055 0.000 1.185 395 A CA 1.514 53.593 52.037 0.069 0.000 0.628 395 A CB -0.560 18.506 19.000 0.109 0.000 0.830 395 A HN 0.253 8.403 8.150 -0.000 0.000 0.446 396 T N 1.297 115.887 114.554 0.060 0.000 2.684 396 T HA -0.088 4.263 4.350 0.002 0.000 0.267 396 T C -0.354 174.368 174.700 0.038 0.000 1.036 396 T CA 1.756 63.888 62.100 0.053 0.000 1.148 396 T CB -1.174 67.730 68.868 0.059 0.000 0.863 396 T HN 0.459 8.699 8.240 -0.000 0.000 0.436 397 P HA -0.059 4.361 4.420 -0.000 0.000 0.220 397 P C 1.127 178.432 177.300 0.009 0.000 1.148 397 P CA 1.201 64.304 63.100 0.005 0.000 0.803 397 P CB -0.068 31.612 31.700 -0.033 0.000 0.782 398 K N -0.296 120.112 120.400 0.012 0.000 2.057 398 K HA -0.055 4.267 4.320 0.002 0.000 0.207 398 K C 2.096 178.715 176.600 0.032 0.000 1.049 398 K CA 1.154 57.453 56.287 0.020 0.000 0.931 398 K CB -0.708 31.803 32.500 0.019 0.000 0.714 398 K HN 0.020 8.270 8.250 -0.000 0.000 0.440 399 V N 1.139 121.078 119.914 0.041 0.000 2.358 399 V HA -0.211 3.910 4.120 0.002 0.000 0.246 399 V C 2.138 178.254 176.094 0.037 0.000 1.047 399 V CA 1.725 64.054 62.300 0.048 0.000 1.035 399 V CB -0.265 31.597 31.823 0.064 0.000 0.658 399 V HN 0.251 8.441 8.190 -0.000 0.000 0.452 400 S N 0.727 116.448 115.700 0.036 0.000 2.368 400 S HA -0.146 4.325 4.470 0.002 0.000 0.225 400 S C 2.091 176.712 174.600 0.034 0.000 1.030 400 S CA 1.472 59.693 58.200 0.036 0.000 0.999 400 S CB -0.733 62.491 63.200 0.041 0.000 0.844 400 S HN 0.690 9.000 8.310 -0.000 0.000 0.459 401 G N 1.258 110.078 108.800 0.032 0.000 2.418 401 G HA2 -0.050 3.911 3.960 0.002 0.000 0.217 401 G HA3 -0.050 3.911 3.960 0.002 0.000 0.217 401 G C 1.557 176.473 174.900 0.027 0.000 1.158 401 G CA 0.888 46.008 45.100 0.034 0.000 0.771 401 G HN 0.577 8.867 8.290 -0.000 0.000 0.545 402 A N 0.528 123.363 122.820 0.024 0.000 1.933 402 A HA 0.104 4.425 4.320 0.002 0.000 0.218 402 A C 2.427 180.021 177.584 0.016 0.000 1.175 402 A CA 1.227 53.275 52.037 0.018 0.000 0.628 402 A CB -0.378 18.638 19.000 0.027 0.000 0.814 402 A HN 0.357 8.507 8.150 -0.000 0.000 0.444 403 L N -0.845 120.387 121.223 0.015 0.000 2.083 403 L HA -0.181 4.160 4.340 0.002 0.000 0.209 403 L C 3.092 179.970 176.870 0.012 0.000 1.083 403 L CA 0.980 55.824 54.840 0.006 0.000 0.752 403 L CB -0.519 41.538 42.059 -0.004 0.000 0.899 403 L HN 0.437 8.667 8.230 -0.000 0.000 0.433 404 A N 0.223 123.054 122.820 0.019 0.000 1.902 404 A HA -0.172 4.150 4.320 0.002 0.000 0.217 404 A C 2.250 179.836 177.584 0.004 0.000 1.181 404 A CA 1.447 53.496 52.037 0.020 0.000 0.623 404 A CB -0.703 18.318 19.000 0.035 0.000 0.818 404 A HN 0.349 8.499 8.150 -0.000 0.000 0.443 405 L N -0.683 120.538 121.223 -0.003 0.000 2.017 405 L HA -0.201 4.140 4.340 0.002 0.000 0.208 405 L C 2.529 179.367 176.870 -0.053 0.000 1.073 405 L CA 1.402 56.222 54.840 -0.035 0.000 0.745 405 L CB -0.606 41.430 42.059 -0.038 0.000 0.894 405 L HN 0.374 8.604 8.230 -0.000 0.000 0.432 406 I N -0.051 120.522 120.570 0.005 0.000 2.163 406 I HA -0.342 3.830 4.170 0.002 0.000 0.243 406 I C 2.471 178.631 176.117 0.073 0.000 1.085 406 I CA 1.625 62.978 61.300 0.089 0.000 1.347 406 I CB -0.247 37.815 38.000 0.103 0.000 1.044 406 I HN 0.165 8.375 8.210 -0.000 0.000 0.408 407 I N 0.554 121.142 120.570 0.029 0.000 2.208 407 I HA -0.325 3.846 4.170 0.002 0.000 0.245 407 I C 2.069 178.165 176.117 -0.036 0.000 1.097 407 I CA 1.452 62.764 61.300 0.020 0.000 1.363 407 I CB -0.511 37.500 38.000 0.018 0.000 1.051 407 I HN 0.273 8.483 8.210 -0.000 0.000 0.413 408 D N 0.639 120.996 120.400 -0.073 0.000 2.117 408 D HA -0.182 4.459 4.640 0.002 0.000 0.198 408 D C 2.073 178.163 176.300 -0.349 0.000 0.982 408 D CA 1.122 55.046 54.000 -0.127 0.000 0.828 408 D CB -0.189 40.573 40.800 -0.063 0.000 0.967 408 D HN 0.110 8.480 8.370 -0.000 0.000 0.464 409 K N 0.039 120.207 120.400 -0.386 0.000 2.097 409 K HA -0.125 4.196 4.320 0.002 0.000 0.206 409 K C 1.216 177.271 176.600 -0.907 0.000 1.049 409 K CA 1.232 57.121 56.287 -0.662 0.000 0.933 409 K CB -0.297 31.718 32.500 -0.808 0.000 0.717 409 K HN 0.258 8.508 8.250 -0.000 0.000 0.442 410 Y N -0.593 119.508 120.300 -0.332 0.000 2.481 410 Y HA 0.230 4.781 4.550 0.002 0.000 0.247 410 Y C -0.473 175.349 175.900 -0.131 0.000 1.151 410 Y CA -0.368 57.601 58.100 -0.218 0.000 1.238 410 Y CB 0.313 38.715 38.460 -0.097 0.000 1.179 410 Y HN 0.107 8.387 8.280 -0.000 0.000 0.524 411 H N -0.066 119.051 119.070 0.079 0.000 2.750 411 H HA -0.153 4.404 4.556 0.002 0.000 0.327 411 H C 0.088 175.460 175.328 0.073 0.000 1.199 411 H CA 0.754 56.834 56.048 0.052 0.000 1.149 411 H CB -1.704 28.078 29.762 0.034 0.000 1.543 411 H HN 0.468 8.748 8.280 -0.000 0.000 0.427 412 L N -0.107 121.195 121.223 0.132 0.000 2.872 412 L HA 0.098 4.439 4.340 0.002 0.000 0.245 412 L C 1.937 178.854 176.870 0.078 0.000 1.211 412 L CA -0.055 54.858 54.840 0.121 0.000 1.013 412 L CB 0.164 42.284 42.059 0.101 0.000 1.326 412 L HN 0.228 8.458 8.230 -0.000 0.000 0.525 413 E N 1.066 121.300 120.200 0.058 0.000 2.130 413 E HA -0.242 4.109 4.350 0.002 0.000 0.196 413 E C 1.552 178.130 176.600 -0.037 0.000 0.998 413 E CA 1.327 57.735 56.400 0.014 0.000 0.806 413 E CB 0.084 29.793 29.700 0.014 0.000 0.738 413 E HN 0.474 8.834 8.360 -0.000 0.000 0.459 414 K N -0.352 120.005 120.400 -0.072 0.000 2.366 414 K HA -0.011 4.310 4.320 0.002 0.000 0.198 414 K C 0.344 176.646 176.600 -0.497 0.000 1.044 414 K CA 0.599 56.728 56.287 -0.263 0.000 0.973 414 K CB 0.283 32.608 32.500 -0.292 0.000 0.767 414 K HN 0.171 8.421 8.250 -0.000 0.000 0.475 415 H N 0.003 119.075 119.070 0.003 0.000 2.429 415 H HA 0.128 4.685 4.556 0.002 0.000 0.231 415 H C -2.139 173.184 175.328 -0.009 0.000 1.416 415 H CA -1.673 54.372 56.048 -0.004 0.000 1.443 415 H CB 1.104 30.864 29.762 -0.003 0.000 1.591 415 H HN -0.014 8.266 8.280 -0.000 0.000 0.507 416 P HA -0.179 4.241 4.420 -0.000 0.000 0.218 416 P C 1.309 178.616 177.300 0.011 0.000 1.146 416 P CA 1.140 64.253 63.100 0.023 0.000 0.813 416 P CB 0.618 32.318 31.700 -0.001 0.000 0.778 417 D N 0.344 120.760 120.400 0.028 0.000 2.178 417 D HA -0.141 4.500 4.640 0.002 0.000 0.201 417 D C 1.790 178.074 176.300 -0.026 0.000 0.980 417 D CA 1.105 55.103 54.000 -0.002 0.000 0.842 417 D CB -0.265 40.547 40.800 0.020 0.000 0.948 417 D HN 0.108 8.478 8.370 -0.000 0.000 0.472 418 K N -0.101 120.299 120.400 -0.000 0.000 2.147 418 K HA -0.042 4.280 4.320 0.002 0.000 0.205 418 K C 2.103 178.668 176.600 -0.058 0.000 1.049 418 K CA 1.024 57.293 56.287 -0.030 0.000 0.936 418 K CB -0.060 32.432 32.500 -0.013 0.000 0.722 418 K HN 0.106 8.356 8.250 -0.000 0.000 0.446 419 A N 1.463 124.257 122.820 -0.042 0.000 1.898 419 A HA -0.113 4.208 4.320 0.002 0.000 0.216 419 A C 2.094 179.599 177.584 -0.132 0.000 1.181 419 A CA 1.112 53.117 52.037 -0.053 0.000 0.620 419 A CB -0.468 18.520 19.000 -0.020 0.000 0.819 419 A HN 0.144 8.294 8.150 -0.000 0.000 0.442 420 I N -0.709 119.746 120.570 -0.193 0.000 2.179 420 I HA -0.235 3.936 4.170 0.002 0.000 0.242 420 I C 2.572 178.376 176.117 -0.522 0.000 1.088 420 I CA 1.836 62.885 61.300 -0.419 0.000 1.357 420 I CB -0.323 37.455 38.000 -0.371 0.000 1.051 420 I HN 0.406 8.616 8.210 -0.000 0.000 0.409 421 E N 1.523 121.567 120.200 -0.261 0.000 2.077 421 E HA -0.248 4.104 4.350 0.002 0.000 0.193 421 E C 2.152 178.700 176.600 -0.087 0.000 0.989 421 E CA 1.338 57.656 56.400 -0.138 0.000 0.800 421 E CB -0.356 29.312 29.700 -0.053 0.000 0.746 421 E HN 0.435 8.795 8.360 -0.000 0.000 0.452 422 L N -0.251 120.921 121.223 -0.084 0.000 2.046 422 L HA -0.135 4.207 4.340 0.002 0.000 0.208 422 L C 2.329 179.199 176.870 -0.001 0.000 1.077 422 L CA 1.270 56.093 54.840 -0.030 0.000 0.747 422 L CB -0.289 41.687 42.059 -0.139 0.000 0.896 422 L HN 0.330 8.560 8.230 -0.000 0.000 0.432 423 L N -1.144 120.031 121.223 -0.080 0.000 2.017 423 L HA -0.254 4.087 4.340 0.002 0.000 0.208 423 L C 2.300 179.204 176.870 0.055 0.000 1.073 423 L CA 1.899 56.715 54.840 -0.039 0.000 0.745 423 L CB -0.776 41.203 42.059 -0.133 0.000 0.894 423 L HN 0.218 8.448 8.230 -0.000 0.000 0.432 424 Y N -0.383 119.849 120.300 -0.114 0.000 2.200 424 Y HA -0.131 4.420 4.550 0.002 0.000 0.290 424 Y C 2.660 178.402 175.900 -0.264 0.000 1.137 424 Y CA 1.050 58.977 58.100 -0.288 0.000 1.163 424 Y CB -0.779 37.275 38.460 -0.678 0.000 0.988 424 Y HN 0.349 8.629 8.280 -0.000 0.000 0.518 425 Q N -1.523 118.242 119.800 -0.057 0.000 2.339 425 Q HA 0.005 4.347 4.340 0.002 0.000 0.205 425 Q C 1.019 176.771 176.000 -0.414 0.000 0.925 425 Q CA 1.029 56.701 55.803 -0.219 0.000 0.898 425 Q CB 0.162 28.746 28.738 -0.257 0.000 1.013 425 Q HN 0.651 8.921 8.270 -0.000 0.000 0.504 426 H N -2.099 116.971 119.070 -0.000 0.000 3.398 426 H HA 0.315 4.872 4.556 0.002 0.000 0.260 426 H C 0.620 175.957 175.328 0.016 0.000 1.189 426 H CA 0.473 56.520 56.048 -0.003 0.000 1.145 426 H CB 1.088 30.821 29.762 -0.048 0.000 1.599 426 H HN 0.160 8.440 8.280 -0.000 0.000 0.615 427 G N 1.634 110.503 108.800 0.114 0.000 3.899 427 G HA2 0.148 4.110 3.960 0.002 0.000 0.293 427 G HA3 0.148 4.110 3.960 0.002 0.000 0.293 427 G C 0.247 175.206 174.900 0.098 0.000 1.054 427 G CA 0.071 45.231 45.100 0.100 0.000 0.846 427 G HN 0.247 8.537 8.290 -0.000 0.000 0.525 428 T N -3.209 111.400 114.554 0.092 0.000 2.896 428 T HA 0.635 4.986 4.350 0.002 0.000 0.297 428 T C -0.395 174.343 174.700 0.064 0.000 1.108 428 T CA -0.610 61.542 62.100 0.088 0.000 1.004 428 T CB 1.875 70.810 68.868 0.111 0.000 1.159 428 T HN 0.084 8.324 8.240 -0.000 0.000 0.499 429 S N 0.164 115.891 115.700 0.046 0.000 2.548 429 S HA 0.294 4.765 4.470 0.002 0.000 0.277 429 S C 0.388 174.987 174.600 -0.001 0.000 1.315 429 S CA -0.640 57.572 58.200 0.020 0.000 1.050 429 S CB 0.040 63.239 63.200 -0.001 0.000 0.918 429 S HN 0.684 8.994 8.310 -0.000 0.000 0.497 430 K N 3.654 124.054 120.400 -0.001 0.000 2.675 430 K HA 0.221 4.542 4.320 0.002 0.000 0.213 430 K C 0.026 176.605 176.600 -0.034 0.000 1.074 430 K CA -0.244 56.039 56.287 -0.007 0.000 1.172 430 K CB 0.002 32.508 32.500 0.011 0.000 0.927 430 K HN 0.498 8.748 8.250 -0.000 0.000 0.471 431 N N 1.025 119.683 118.700 -0.069 0.000 2.205 431 N HA 0.027 4.769 4.740 0.002 0.000 0.201 431 N C -0.777 174.627 175.510 -0.177 0.000 1.128 431 N CA 0.116 53.111 53.050 -0.092 0.000 0.867 431 N CB 0.512 38.955 38.487 -0.074 0.000 0.996 431 N HN 0.255 8.635 8.380 -0.000 0.000 0.503 432 N N 1.650 120.196 118.700 -0.258 0.000 2.424 432 N HA 0.243 4.984 4.740 0.002 0.000 0.271 432 N C -0.498 174.781 175.510 -0.385 0.000 0.985 432 N CA -0.545 52.168 53.050 -0.561 0.000 0.921 432 N CB 1.349 39.344 38.487 -0.819 0.000 1.149 432 N HN -0.021 8.359 8.380 -0.000 0.000 0.492 433 K N 0.951 121.179 120.400 -0.287 0.000 2.536 433 K HA 0.596 4.918 4.320 0.002 0.000 0.269 433 K C -3.298 173.418 176.600 0.194 0.000 0.965 433 K CA -1.611 54.690 56.287 0.024 0.000 0.860 433 K CB 1.003 33.511 32.500 0.013 0.000 1.423 433 K HN 0.193 8.443 8.250 -0.000 0.000 0.438 434 P HA 0.262 4.682 4.420 -0.000 0.000 0.279 434 P C 0.544 177.973 177.300 0.214 0.000 1.276 434 P CA -0.638 62.564 63.100 0.171 0.000 0.801 434 P CB 0.543 32.318 31.700 0.125 0.000 1.127 435 F N 1.423 121.405 119.950 0.054 0.000 2.120 435 F HA -0.259 4.269 4.527 0.002 0.000 0.300 435 F C 2.452 178.270 175.800 0.031 0.000 1.095 435 F CA 2.638 60.644 58.000 0.009 0.000 1.249 435 F CB -0.602 38.362 39.000 -0.059 0.000 0.995 435 F HN 0.320 8.620 8.300 -0.000 0.000 0.480 436 S N -0.077 115.774 115.700 0.252 0.000 2.440 436 S HA -0.175 4.296 4.470 0.002 0.000 0.238 436 S C 1.996 176.689 174.600 0.155 0.000 1.010 436 S CA 0.927 59.258 58.200 0.217 0.000 0.972 436 S CB -0.435 62.898 63.200 0.223 0.000 0.774 436 S HN 0.412 8.722 8.310 -0.000 0.000 0.501 437 R N -0.455 120.035 120.500 -0.016 0.000 2.142 437 R HA 0.235 4.576 4.340 0.002 0.000 0.204 437 R C 1.003 177.018 176.300 -0.476 0.000 1.059 437 R CA 0.905 56.822 56.100 -0.306 0.000 1.055 437 R CB -0.375 29.593 30.300 -0.554 0.000 0.976 437 R HN 0.593 8.863 8.270 -0.000 0.000 0.483 438 Y N -0.040 120.163 120.300 -0.162 0.000 2.445 438 Y HA 0.295 4.847 4.550 0.003 0.000 0.247 438 Y C 1.457 177.133 175.900 -0.374 0.000 1.129 438 Y CA 0.231 58.212 58.100 -0.199 0.000 1.251 438 Y CB 0.594 38.962 38.460 -0.153 0.000 1.176 438 Y HN 0.265 8.545 8.280 -0.000 0.000 0.522 439 G N 0.888 109.328 108.800 -0.600 0.000 2.566 439 G HA2 -0.361 3.601 3.960 0.002 0.000 0.280 439 G HA3 -0.361 3.601 3.960 0.002 0.000 0.280 439 G C 0.692 174.878 174.900 -1.190 0.000 1.225 439 G CA 0.545 44.823 45.100 -1.371 0.000 0.966 439 G HN 0.453 8.743 8.290 -0.000 0.000 0.560 440 H N 2.232 120.941 119.070 -0.601 0.000 2.543 440 H HA 0.258 4.815 4.556 0.002 0.000 0.286 440 H C 1.694 176.977 175.328 -0.076 0.000 1.037 440 H CA 2.240 58.184 56.048 -0.175 0.000 1.250 440 H CB -0.204 29.502 29.762 -0.094 0.000 1.373 440 H HN 1.761 10.041 8.280 -0.000 0.000 0.580 441 G N 0.285 109.083 108.800 -0.004 0.000 2.347 441 G HA2 -0.131 3.830 3.960 0.002 0.000 0.341 441 G HA3 -0.131 3.830 3.960 0.002 0.000 0.341 441 G C -1.199 173.735 174.900 0.057 0.000 1.287 441 G CA -0.695 44.411 45.100 0.010 0.000 0.984 441 G HN 0.192 8.482 8.290 -0.000 0.000 0.526 442 E N -0.427 119.792 120.200 0.032 0.000 2.313 442 E HA 0.423 4.775 4.350 0.002 0.000 0.276 442 E C 0.427 177.073 176.600 0.076 0.000 1.031 442 E CA -0.762 55.680 56.400 0.070 0.000 0.857 442 E CB 0.948 30.678 29.700 0.051 0.000 1.040 442 E HN 0.667 9.027 8.360 -0.000 0.000 0.408 443 L N 4.514 125.791 121.223 0.090 0.000 2.559 443 L HA -0.020 4.321 4.340 0.002 0.000 0.282 443 L C -0.562 176.357 176.870 0.082 0.000 1.232 443 L CA 1.135 56.029 54.840 0.088 0.000 0.885 443 L CB 0.488 42.596 42.059 0.082 0.000 1.131 443 L HN 0.476 8.706 8.230 -0.000 0.000 0.498 444 D N 3.682 124.133 120.400 0.085 0.000 2.358 444 D HA 0.173 4.815 4.640 0.002 0.000 0.253 444 D C 0.620 176.976 176.300 0.093 0.000 1.288 444 D CA -0.366 53.691 54.000 0.095 0.000 0.950 444 D CB 1.310 42.173 40.800 0.105 0.000 1.197 444 D HN 0.340 8.710 8.370 -0.000 0.000 0.550 445 V N 3.715 123.675 119.914 0.075 0.000 2.427 445 V HA -0.216 3.905 4.120 0.002 0.000 0.248 445 V C 2.009 178.131 176.094 0.045 0.000 1.051 445 V CA 1.335 63.658 62.300 0.037 0.000 1.048 445 V CB -0.807 31.005 31.823 -0.018 0.000 0.666 445 V HN 0.620 8.810 8.190 -0.000 0.000 0.456 446 Y N 1.242 121.526 120.300 -0.027 0.000 2.128 446 Y HA -0.310 4.242 4.550 0.003 0.000 0.284 446 Y C 2.640 178.549 175.900 0.015 0.000 1.154 446 Y CA 2.360 60.449 58.100 -0.019 0.000 1.149 446 Y CB -0.185 38.272 38.460 -0.006 0.000 0.976 446 Y HN 0.117 8.397 8.280 -0.000 0.000 0.505 447 K N -0.192 120.289 120.400 0.135 0.000 2.032 447 K HA -0.198 4.124 4.320 0.002 0.000 0.209 447 K C 2.296 178.906 176.600 0.017 0.000 1.048 447 K CA 1.271 57.603 56.287 0.074 0.000 0.927 447 K CB -0.476 32.106 32.500 0.136 0.000 0.712 447 K HN 0.416 8.666 8.250 -0.000 0.000 0.441 448 A N 0.804 123.652 122.820 0.047 0.000 1.940 448 A HA -0.134 4.187 4.320 0.002 0.000 0.219 448 A C 1.877 179.525 177.584 0.106 0.000 1.176 448 A CA 1.331 53.414 52.037 0.076 0.000 0.631 448 A CB -0.462 18.583 19.000 0.076 0.000 0.814 448 A HN 0.307 8.457 8.150 -0.000 0.000 0.446 449 L N -0.780 120.430 121.223 -0.021 0.000 2.591 449 L HA 0.102 4.444 4.340 0.002 0.000 0.228 449 L C 0.789 177.582 176.870 -0.129 0.000 1.133 449 L CA 0.171 54.959 54.840 -0.086 0.000 0.880 449 L CB -0.117 41.839 42.059 -0.172 0.000 1.033 449 L HN 0.352 8.582 8.230 -0.000 0.000 0.450 450 N N -1.094 117.512 118.700 -0.157 0.000 2.291 450 N HA 0.087 4.828 4.740 0.002 0.000 0.244 450 N C 1.411 176.881 175.510 -0.067 0.000 1.216 450 N CA 0.130 53.066 53.050 -0.190 0.000 0.879 450 N CB 1.369 39.571 38.487 -0.474 0.000 1.167 450 N HN -0.007 8.373 8.380 -0.000 0.000 0.515 451 V N 1.152 121.068 119.914 0.003 0.000 2.332 451 V HA -0.237 3.884 4.120 0.002 0.000 0.248 451 V C 2.509 178.574 176.094 -0.049 0.000 1.055 451 V CA 2.212 64.475 62.300 -0.061 0.000 1.038 451 V CB -0.601 31.093 31.823 -0.216 0.000 0.651 451 V HN 0.326 8.516 8.190 -0.000 0.000 0.450 452 A N 0.059 122.888 122.820 0.015 0.000 2.125 452 A HA -0.123 4.198 4.320 0.002 0.000 0.219 452 A C 1.450 179.033 177.584 -0.001 0.000 1.156 452 A CA 1.296 53.341 52.037 0.013 0.000 0.671 452 A CB -0.453 18.584 19.000 0.061 0.000 0.794 452 A HN 0.608 8.758 8.150 -0.000 0.000 0.459 453 N N 0.658 119.351 118.700 -0.011 0.000 2.714 453 N HA 0.134 4.875 4.740 0.002 0.000 0.298 453 N C -0.313 175.201 175.510 0.007 0.000 1.298 453 N CA -0.033 53.014 53.050 -0.005 0.000 1.007 453 N CB 0.404 38.880 38.487 -0.018 0.000 1.318 453 N HN 0.515 8.895 8.380 -0.000 0.000 0.516 454 Q N 1.177 120.981 119.800 0.007 0.000 2.311 454 Q HA 0.073 4.415 4.340 0.002 0.000 0.272 454 Q C -0.452 175.566 176.000 0.029 0.000 1.012 454 Q CA 0.352 56.169 55.803 0.022 0.000 0.891 454 Q CB 0.565 29.313 28.738 0.016 0.000 1.201 454 Q HN -0.056 8.214 8.270 -0.000 0.000 0.391 455 K N 1.961 122.386 120.400 0.041 0.000 2.164 455 K HA 0.549 4.870 4.320 0.002 0.000 0.258 455 K C -0.950 175.671 176.600 0.036 0.000 0.951 455 K CA -0.661 55.650 56.287 0.039 0.000 0.844 455 K CB 1.786 34.315 32.500 0.048 0.000 1.099 455 K HN 0.700 8.950 8.250 -0.000 0.000 0.435 456 A N 2.169 125.007 122.820 0.029 0.000 2.440 456 A HA 0.341 4.662 4.320 0.002 0.000 0.251 456 A C 0.162 177.762 177.584 0.026 0.000 1.089 456 A CA -0.062 51.991 52.037 0.026 0.000 0.779 456 A CB 0.142 19.155 19.000 0.021 0.000 1.022 456 A HN 0.671 8.821 8.150 -0.000 0.000 0.492 457 S N 0.000 115.715 115.700 0.025 0.000 2.498 457 S HA 0.000 4.471 4.470 0.002 0.000 0.327 457 S CA 0.000 58.214 58.200 0.023 0.000 1.107 457 S CB 0.000 63.214 63.200 0.024 0.000 0.593 457 S HN 0.000 8.310 8.310 -0.000 0.000 0.517