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 1lqu_1_B DATA FIRST_RESID 2 DATA SEQUENCE RPYYIAIVGS GPSAFFAAAS LLKAADTTED LDMAVDMLEM LPTPWGLVRS DATA SEQUENCE GVAPDHPKIK SISKQFEKTA EDPRFRFFGN VVVGEHVQPG ELSERYDAVI DATA SEQUENCE YAVGAQSDRM LNIPGEDLPG SIAAVDFVGW YNAHPHFEQV SPDLSGARAV DATA SEQUENCE VIGNGNVALD VARILLTDPD VLARTDIADH ALESLRPRGI QEVVIVGRRG DATA SEQUENCE PLQAAFTTLE LRELADLDGV DVVIDPAELD GITDEDAAAV GKVCKQNIKV DATA SEQUENCE LRGYADREPR PGHRRMVFRF LTSPIEIKGK RKVERIVLGR NELVSDGSGR DATA SEQUENCE VAAKDTGERE ELPAQLVVRS VGYRGVPTPG LPFDDQSGTI PNVGGRINGS DATA SEQUENCE PNEYVVGWIK RGPTGVIGTN KKDAQDTVDT LIKNLGNAKE GAECKSFPXD DATA SEQUENCE HADQVADWLA ARQPKLVTSA HWQVIDAFER AAGEPHGRPR VKLASLAELL DATA SEQUENCE RIGLG 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 2 R HA 0.000 4.317 4.340 -0.038 0.000 0.208 2 R C 0.000 176.180 176.300 -0.200 0.000 0.893 2 R CA 0.000 56.059 56.100 -0.069 0.000 0.921 2 R CB 0.000 30.322 30.300 0.036 0.000 0.687 3 P HA 0.090 4.439 4.420 -0.307 -0.114 0.274 3 P C -1.399 175.621 177.300 -0.466 0.000 1.237 3 P CA -0.773 62.111 63.100 -0.360 0.000 0.793 3 P CB 0.727 32.211 31.700 -0.360 0.000 0.977 4 Y N -1.688 118.492 120.300 -0.199 0.000 2.411 4 Y HA -0.193 4.505 4.550 -0.012 -0.155 0.333 4 Y C -0.119 175.634 175.900 -0.245 0.000 1.186 4 Y CA 0.008 58.042 58.100 -0.110 0.000 1.381 4 Y CB 0.910 39.371 38.460 0.003 0.000 1.273 4 Y HN -0.196 7.952 8.280 -0.220 0.000 0.546 5 Y N 0.035 120.537 120.300 0.336 0.000 2.342 5 Y HA 0.289 5.145 4.550 0.252 -0.155 0.338 5 Y C -0.596 175.538 175.900 0.390 0.000 0.965 5 Y CA -0.896 57.375 58.100 0.284 0.000 1.159 5 Y CB 0.745 39.256 38.460 0.085 0.000 1.157 5 Y HN 0.393 9.314 8.280 0.492 -0.345 0.486 6 I N 3.250 124.061 120.570 0.402 0.000 2.406 6 I HA 0.610 5.104 4.170 0.215 -0.195 0.290 6 I C -1.533 174.564 176.117 -0.034 0.000 0.999 6 I CA -3.051 58.363 61.300 0.191 0.000 1.124 6 I CB 2.217 40.260 38.000 0.072 0.000 1.289 6 I HN 0.447 8.856 8.210 0.332 0.000 0.441 7 A N 7.142 129.735 122.820 -0.379 0.000 2.305 7 A HA 0.926 5.074 4.320 -0.627 -0.204 0.322 7 A C -1.616 175.734 177.584 -0.389 0.000 1.187 7 A CA -2.349 49.279 52.037 -0.681 0.000 0.825 7 A CB 2.618 20.875 19.000 -1.238 0.000 1.164 7 A HN 0.266 8.242 8.150 -0.290 0.000 0.498 8 I N 2.793 123.159 120.570 -0.339 0.000 2.406 8 I HA 0.571 4.763 4.170 -0.278 -0.188 0.290 8 I C -1.103 174.838 176.117 -0.293 0.000 0.999 8 I CA -1.284 59.847 61.300 -0.280 0.000 1.124 8 I CB 2.741 40.609 38.000 -0.219 0.000 1.289 8 I HN 0.614 8.621 8.210 -0.340 0.000 0.441 9 V N 6.921 126.640 119.914 -0.325 0.000 2.333 9 V HA 0.493 4.639 4.120 -0.216 -0.155 0.274 9 V C -0.229 175.798 176.094 -0.113 0.000 1.028 9 V CA -1.596 60.553 62.300 -0.252 0.000 0.851 9 V CB -0.835 30.762 31.823 -0.378 0.000 1.000 9 V HN 0.586 8.552 8.190 -0.374 0.000 0.456 10 G N 8.408 117.161 108.800 -0.079 0.000 2.587 10 G HA2 -0.153 3.931 3.960 -0.002 0.000 0.686 10 G HA3 -0.153 3.972 3.960 -0.010 -0.170 0.686 10 G C -2.135 172.730 174.900 -0.059 0.000 1.236 10 G CA -0.107 44.975 45.100 -0.030 0.000 0.820 10 G HN 0.554 8.788 8.290 -0.093 0.000 0.645 11 S N -0.728 114.972 115.700 0.000 0.000 3.073 11 S HA 0.293 4.679 4.470 -0.140 0.000 0.252 11 S C 0.073 174.762 174.600 0.147 0.000 0.953 11 S CA -0.661 57.564 58.200 0.041 0.000 1.105 11 S CB 1.633 64.982 63.200 0.249 0.000 1.070 11 S HN -0.068 8.356 8.310 0.028 -0.097 0.574 12 G N 2.430 111.244 108.800 0.024 0.000 2.510 12 G HA2 0.337 4.381 3.960 0.062 0.000 0.280 12 G HA3 0.337 4.273 3.960 -0.039 0.000 0.280 12 G C -2.052 172.716 174.900 -0.221 0.000 1.386 12 G CA -1.500 43.589 45.100 -0.019 0.000 1.047 12 G HN -0.129 8.154 8.290 -0.011 0.000 0.527 13 P HA -0.259 3.570 4.420 -0.986 0.000 0.215 13 P C 1.458 178.439 177.300 -0.532 0.000 1.157 13 P CA 2.884 65.647 63.100 -0.561 0.000 0.874 13 P CB 0.093 31.679 31.700 -0.190 0.000 0.790 14 S N -2.848 112.769 115.700 -0.139 0.000 2.382 14 S HA -0.345 4.275 4.470 0.250 0.000 0.228 14 S C 1.566 176.154 174.600 -0.020 0.000 1.027 14 S CA 3.303 61.539 58.200 0.060 0.000 0.991 14 S CB -0.837 62.433 63.200 0.116 0.000 0.823 14 S HN 0.224 8.470 8.310 -0.107 0.000 0.469 15 A N 2.629 125.375 122.820 -0.124 0.000 1.883 15 A HA -0.225 4.021 4.320 -0.124 0.000 0.217 15 A C 2.190 179.607 177.584 -0.279 0.000 1.186 15 A CA 2.647 54.570 52.037 -0.189 0.000 0.624 15 A CB -0.756 18.095 19.000 -0.249 0.000 0.822 15 A HN -0.018 8.054 8.150 -0.131 0.000 0.444 16 F N -2.215 117.499 119.950 -0.393 0.000 2.259 16 F HA -0.324 4.083 4.527 -0.200 0.000 0.298 16 F C 2.089 177.775 175.800 -0.189 0.000 1.088 16 F CA 3.831 61.572 58.000 -0.432 0.000 1.358 16 F CB -0.083 38.263 39.000 -1.091 0.000 1.040 16 F HN -0.458 7.612 8.300 -0.384 0.000 0.505 17 F N -0.876 119.110 119.950 0.060 0.000 2.146 17 F HA -0.419 4.182 4.527 0.123 0.000 0.298 17 F C 1.845 177.678 175.800 0.054 0.000 1.096 17 F CA 2.078 60.129 58.000 0.086 0.000 1.275 17 F CB -1.451 37.597 39.000 0.081 0.000 1.008 17 F HN 0.159 8.308 8.300 -0.251 0.000 0.480 18 A N -0.730 122.204 122.820 0.190 0.000 1.877 18 A HA -0.402 3.980 4.320 0.104 0.000 0.216 18 A C 1.438 179.069 177.584 0.080 0.000 1.186 18 A CA 2.973 55.069 52.037 0.098 0.000 0.620 18 A CB -1.079 17.946 19.000 0.041 0.000 0.822 18 A HN -0.051 8.192 8.150 0.154 0.000 0.443 19 A N -2.175 120.686 122.820 0.068 0.000 1.883 19 A HA -0.349 4.032 4.320 0.102 0.000 0.217 19 A C 1.835 179.510 177.584 0.152 0.000 1.186 19 A CA 2.973 55.080 52.037 0.117 0.000 0.624 19 A CB -0.740 18.361 19.000 0.169 0.000 0.822 19 A HN -0.111 8.055 8.150 0.027 0.000 0.444 20 A N -2.539 120.386 122.820 0.174 0.000 1.902 20 A HA -0.362 4.049 4.320 0.152 0.000 0.217 20 A C 2.240 179.901 177.584 0.128 0.000 1.181 20 A CA 2.996 55.133 52.037 0.167 0.000 0.623 20 A CB -0.904 18.225 19.000 0.216 0.000 0.818 20 A HN -0.150 8.117 8.150 0.195 0.000 0.443 21 S N -0.129 115.643 115.700 0.120 0.000 2.368 21 S HA -0.336 4.178 4.470 0.073 0.000 0.225 21 S C 2.122 176.758 174.600 0.061 0.000 1.030 21 S CA 3.543 61.791 58.200 0.079 0.000 0.999 21 S CB 0.034 63.273 63.200 0.066 0.000 0.844 21 S HN -0.498 7.895 8.310 0.139 0.000 0.459 22 L N 1.159 122.419 121.223 0.062 0.000 2.017 22 L HA -0.345 4.016 4.340 0.036 0.000 0.208 22 L C 1.796 178.709 176.870 0.072 0.000 1.073 22 L CA 3.483 58.355 54.840 0.054 0.000 0.745 22 L CB -0.275 41.816 42.059 0.053 0.000 0.894 22 L HN -0.279 7.992 8.230 0.070 0.000 0.432 23 L N -2.910 118.368 121.223 0.091 0.000 2.093 23 L HA -0.414 3.979 4.340 0.089 0.000 0.208 23 L C 2.062 178.975 176.870 0.072 0.000 1.085 23 L CA 3.131 58.026 54.840 0.092 0.000 0.755 23 L CB -0.728 41.399 42.059 0.113 0.000 0.904 23 L HN -0.346 7.946 8.230 0.104 0.000 0.435 24 K N -0.487 119.954 120.400 0.068 0.000 2.097 24 K HA -0.379 3.972 4.320 0.052 0.000 0.206 24 K C 2.132 178.760 176.600 0.046 0.000 1.049 24 K CA 3.235 59.554 56.287 0.054 0.000 0.933 24 K CB -0.075 32.456 32.500 0.053 0.000 0.717 24 K HN -0.155 8.140 8.250 0.075 0.000 0.442 25 A N -1.428 121.420 122.820 0.046 0.000 1.877 25 A HA -0.174 4.168 4.320 0.036 0.000 0.216 25 A C 2.600 180.213 177.584 0.048 0.000 1.186 25 A CA 2.728 54.790 52.037 0.042 0.000 0.620 25 A CB -0.706 18.318 19.000 0.039 0.000 0.822 25 A HN -0.465 7.714 8.150 0.049 0.000 0.443 26 A N -1.463 121.391 122.820 0.056 0.000 1.902 26 A HA -0.249 4.209 4.320 0.053 -0.105 0.217 26 A C 2.278 179.886 177.584 0.040 0.000 1.181 26 A CA 2.437 54.505 52.037 0.052 0.000 0.623 26 A CB -0.470 18.562 19.000 0.054 0.000 0.818 26 A HN -0.500 7.686 8.150 0.060 0.000 0.443 27 D N -2.302 118.123 120.400 0.041 0.000 2.218 27 D HA -0.175 4.484 4.640 0.032 0.000 0.204 27 D C 1.895 178.212 176.300 0.029 0.000 0.976 27 D CA 2.796 56.817 54.000 0.034 0.000 0.853 27 D CB -0.241 40.580 40.800 0.037 0.000 0.939 27 D HN -0.039 8.283 8.370 0.046 0.075 0.481 28 T N -5.958 108.614 114.554 0.030 0.000 3.092 28 T HA 0.108 4.471 4.350 0.022 0.000 0.258 28 T C -0.664 174.050 174.700 0.025 0.000 1.031 28 T CA -0.529 61.586 62.100 0.025 0.000 0.925 28 T CB 0.823 69.706 68.868 0.024 0.000 1.036 28 T HN -0.493 7.735 8.240 0.033 0.031 0.544 29 T N 4.534 119.104 114.554 0.028 0.000 2.879 29 T HA 0.125 4.490 4.350 0.025 0.000 0.290 29 T C -1.244 173.470 174.700 0.024 0.000 0.993 29 T CA -0.169 61.948 62.100 0.028 0.000 0.975 29 T CB 2.509 71.400 68.868 0.038 0.000 0.981 29 T HN -0.727 7.531 8.240 0.029 0.000 0.439 30 E N 6.596 126.808 120.200 0.019 0.000 2.398 30 E HA -0.106 4.250 4.350 0.011 0.000 0.263 30 E C 0.034 176.641 176.600 0.012 0.000 1.046 30 E CA 0.780 57.188 56.400 0.013 0.000 0.908 30 E CB 0.416 30.122 29.700 0.011 0.000 0.963 30 E HN 0.241 8.612 8.360 0.019 0.000 0.431 31 D N -1.546 118.855 120.400 0.001 0.000 2.772 31 D HA -0.350 4.276 4.640 -0.024 0.000 0.233 31 D C -1.761 174.530 176.300 -0.015 0.000 1.143 31 D CA 1.129 55.121 54.000 -0.012 0.000 0.700 31 D CB -0.604 40.192 40.800 -0.006 0.000 1.076 31 D HN 0.323 8.692 8.370 -0.002 0.000 0.430 32 L N -3.115 118.104 121.223 -0.006 0.000 2.491 32 L HA 0.298 4.627 4.340 -0.018 0.000 0.267 32 L C -2.871 173.998 176.870 -0.003 0.000 0.971 32 L CA -0.190 54.657 54.840 0.012 0.000 0.857 32 L CB 2.382 44.486 42.059 0.075 0.000 1.226 32 L HN -0.791 7.418 8.230 -0.002 0.019 0.408 33 D N 7.288 127.655 120.400 -0.055 0.000 2.433 33 D HA 0.385 5.019 4.640 -0.011 0.000 0.236 33 D C -1.772 174.510 176.300 -0.030 0.000 1.026 33 D CA -0.758 53.215 54.000 -0.046 0.000 0.884 33 D CB 4.088 44.838 40.800 -0.083 0.000 1.384 33 D HN 0.248 8.542 8.370 -0.127 0.000 0.477 34 M N -0.476 119.122 119.600 -0.005 0.000 2.518 34 M HA 0.465 5.099 4.480 0.036 -0.132 0.300 34 M C -1.380 174.915 176.300 -0.008 0.000 1.175 34 M CA -1.911 53.403 55.300 0.023 0.000 0.890 34 M CB 4.284 36.929 32.600 0.074 0.000 1.710 34 M HN 0.134 8.424 8.290 -0.000 0.000 0.453 35 A N 1.569 124.374 122.820 -0.024 0.000 2.353 35 A HA 0.549 5.051 4.320 0.066 -0.143 0.299 35 A C -2.815 174.838 177.584 0.115 0.000 1.089 35 A CA -1.152 50.907 52.037 0.037 0.000 0.736 35 A CB 3.668 22.663 19.000 -0.008 0.000 1.195 35 A HN 0.714 8.846 8.150 -0.030 0.000 0.447 36 V N 4.807 124.778 119.914 0.094 0.000 2.409 36 V HA 0.737 5.075 4.120 0.044 -0.192 0.291 36 V C -1.507 174.506 176.094 -0.134 0.000 1.020 36 V CA -1.682 60.627 62.300 0.014 0.000 0.848 36 V CB 2.244 34.087 31.823 0.033 0.000 0.990 36 V HN 0.395 8.642 8.190 0.095 0.000 0.430 37 D N 7.545 127.893 120.400 -0.087 0.000 2.308 37 D HA 0.551 5.282 4.640 -0.130 -0.169 0.242 37 D C -1.712 174.442 176.300 -0.243 0.000 1.059 37 D CA -0.809 53.143 54.000 -0.080 0.000 0.830 37 D CB 2.992 43.907 40.800 0.191 0.000 1.161 37 D HN 0.371 8.716 8.370 -0.041 0.000 0.494 38 M N 4.815 124.226 119.600 -0.314 0.000 2.114 38 M HA 0.597 5.106 4.480 -0.274 -0.193 0.332 38 M C -2.433 173.754 176.300 -0.189 0.000 1.014 38 M CA -1.015 54.120 55.300 -0.275 0.000 0.956 38 M CB 2.940 35.362 32.600 -0.296 0.000 1.551 38 M HN 0.591 8.661 8.290 -0.367 0.000 0.427 39 L N 6.368 127.474 121.223 -0.195 0.000 2.280 39 L HA 0.691 5.096 4.340 -0.202 -0.187 0.287 39 L C -1.533 175.225 176.870 -0.187 0.000 1.023 39 L CA -1.327 53.396 54.840 -0.195 0.000 0.819 39 L CB 0.777 42.731 42.059 -0.175 0.000 1.212 39 L HN 0.853 8.956 8.230 -0.211 0.000 0.420 40 E N 3.960 124.010 120.200 -0.250 0.000 2.210 40 E HA 0.427 4.735 4.350 -0.071 0.000 0.266 40 E C -0.696 175.846 176.600 -0.097 0.000 0.883 40 E CA -2.148 54.170 56.400 -0.137 0.000 0.761 40 E CB 3.128 32.785 29.700 -0.073 0.000 1.156 40 E HN 0.157 8.301 8.360 -0.360 0.000 0.412 41 M N 7.039 126.630 119.600 -0.014 0.000 2.117 41 M HA -0.240 4.423 4.480 0.055 -0.150 0.262 41 M C -0.374 175.942 176.300 0.027 0.000 1.065 41 M CA 3.275 58.599 55.300 0.040 0.000 1.114 41 M CB 0.688 33.346 32.600 0.096 0.000 1.361 41 M HN 0.544 8.837 8.290 0.005 0.000 0.408 42 L N -2.726 118.485 121.223 -0.020 0.000 2.439 42 L HA 0.262 4.591 4.340 -0.019 0.000 0.259 42 L C -0.462 176.398 176.870 -0.016 0.000 1.129 42 L CA -2.153 52.659 54.840 -0.047 0.000 0.803 42 L CB -1.403 40.564 42.059 -0.153 0.000 1.161 42 L HN -0.560 7.998 8.230 -0.029 -0.346 0.462 43 P HA -0.068 4.406 4.420 0.089 0.000 0.222 43 P C -1.093 176.260 177.300 0.089 0.000 1.147 43 P CA 1.360 64.506 63.100 0.077 0.000 0.790 43 P CB 0.239 31.992 31.700 0.089 0.000 0.780 44 T N -5.655 108.840 114.554 -0.098 0.000 2.855 44 T HA 0.319 4.192 4.350 -0.794 0.000 0.281 44 T C -1.860 172.480 174.700 -0.599 0.000 1.007 44 T CA -3.986 57.806 62.100 -0.513 0.000 1.009 44 T CB 1.796 70.433 68.868 -0.385 0.000 0.983 44 T HN -0.466 7.668 8.240 -0.101 0.045 0.455 45 P HA 0.240 4.492 4.420 -0.280 0.000 0.282 45 P C -1.196 175.747 177.300 -0.594 0.000 1.287 45 P CA -0.662 61.947 63.100 -0.818 0.000 0.792 45 P CB 1.711 32.632 31.700 -1.298 0.000 1.163 46 W N -6.573 114.683 121.300 -0.074 0.000 0.993 46 W HA -0.292 4.483 4.660 0.024 -0.100 0.236 46 W C 0.398 176.910 176.519 -0.012 0.000 0.980 46 W CA -0.099 57.239 57.345 -0.013 0.000 0.372 46 W CB -2.097 27.359 29.460 -0.006 0.000 1.986 46 W HN 0.175 8.384 8.180 0.201 0.092 1.080 47 G N -0.826 108.057 108.800 0.139 0.000 2.596 47 G HA2 -0.551 3.448 3.960 0.064 0.000 0.295 47 G HA3 -0.551 3.443 3.960 0.056 0.000 0.295 47 G C 0.318 175.268 174.900 0.083 0.000 1.240 47 G CA 1.032 46.180 45.100 0.080 0.000 0.985 47 G HN -0.235 8.049 8.290 0.081 0.055 0.555 48 L N 1.925 123.158 121.223 0.018 0.000 2.362 48 L HA -0.210 4.210 4.340 0.043 -0.054 0.219 48 L C 2.283 179.174 176.870 0.035 0.000 1.134 48 L CA 1.693 56.530 54.840 -0.006 0.000 0.807 48 L CB -0.328 41.636 42.059 -0.158 0.000 0.927 48 L HN 0.089 8.298 8.230 -0.035 0.000 0.447 49 V N -0.460 119.500 119.914 0.077 0.000 2.392 49 V HA -0.518 3.632 4.120 0.051 0.000 0.249 49 V C 1.735 177.917 176.094 0.147 0.000 1.059 49 V CA 4.512 66.870 62.300 0.097 0.000 1.051 49 V CB -0.829 31.059 31.823 0.109 0.000 0.658 49 V HN -0.221 7.995 8.190 0.090 0.028 0.455 50 R N -1.158 119.466 120.500 0.207 0.000 2.075 50 R HA -0.210 4.261 4.340 0.220 0.000 0.220 50 R C 1.792 178.171 176.300 0.131 0.000 1.118 50 R CA 3.468 59.686 56.100 0.198 0.000 0.986 50 R CB 0.529 30.943 30.300 0.189 0.000 0.884 50 R HN -0.474 7.929 8.270 0.222 -0.000 0.439 51 S N -4.805 110.965 115.700 0.116 0.000 2.535 51 S HA 0.202 4.743 4.470 0.117 0.000 0.214 51 S C 0.898 175.561 174.600 0.106 0.000 0.980 51 S CA 0.959 59.236 58.200 0.128 0.000 0.907 51 S CB 1.080 64.404 63.200 0.207 0.000 0.790 51 S HN -0.246 8.133 8.310 0.114 0.000 0.510 52 G N 1.472 110.324 108.800 0.087 0.000 2.808 52 G HA2 0.225 4.223 3.960 0.062 0.000 0.210 52 G HA3 0.225 4.218 3.960 0.021 -0.020 0.210 52 G C -0.615 174.349 174.900 0.108 0.000 1.177 52 G CA -0.184 44.954 45.100 0.064 0.000 0.853 52 G HN -0.456 7.774 8.290 0.084 0.110 0.625 53 V N 3.370 123.347 119.914 0.105 0.000 2.681 53 V HA -0.347 3.883 4.120 0.182 0.000 0.306 53 V C -0.050 176.154 176.094 0.183 0.000 1.077 53 V CA 1.229 63.621 62.300 0.153 0.000 1.224 53 V CB -0.317 31.577 31.823 0.119 0.000 0.879 53 V HN -0.296 7.940 8.190 0.077 0.000 0.494 54 A N 8.794 131.736 122.820 0.202 0.000 2.425 54 A HA 0.081 4.544 4.320 0.238 0.000 0.242 54 A C -0.413 177.197 177.584 0.043 0.000 1.077 54 A CA -1.125 50.978 52.037 0.110 0.000 0.781 54 A CB -0.377 18.546 19.000 -0.128 0.000 1.020 54 A HN 0.539 8.843 8.150 0.257 0.000 0.494 55 P HA -0.018 4.512 4.420 0.016 -0.101 0.223 55 P C -0.734 176.535 177.300 -0.051 0.000 1.151 55 P CA 1.362 64.445 63.100 -0.029 0.000 0.787 55 P CB 0.282 31.938 31.700 -0.074 0.000 0.788 56 D N -6.513 113.818 120.400 -0.116 0.000 2.325 56 D HA -0.141 4.472 4.640 -0.045 0.000 0.225 56 D C -0.498 175.810 176.300 0.013 0.000 1.096 56 D CA 0.052 53.999 54.000 -0.089 0.000 0.844 56 D CB -1.483 39.234 40.800 -0.138 0.000 0.925 56 D HN 0.076 8.318 8.370 -0.181 0.019 0.513 57 H N 0.656 119.732 119.070 0.009 0.000 2.474 57 H HA 0.319 4.882 4.556 0.012 0.000 0.250 57 H C -1.086 174.245 175.328 0.005 0.000 1.307 57 H CA -2.909 53.148 56.048 0.015 0.000 1.058 57 H CB -0.037 29.745 29.762 0.035 0.000 1.693 57 H HN -0.443 7.711 8.280 0.086 0.178 0.552 58 P HA -0.183 4.266 4.420 0.047 0.000 0.221 58 P C 1.124 178.430 177.300 0.009 0.000 1.150 58 P CA 1.728 64.855 63.100 0.045 0.000 0.800 58 P CB 0.290 32.004 31.700 0.024 0.000 0.787 59 K N -1.634 118.768 120.400 0.004 0.000 2.057 59 K HA -0.264 4.032 4.320 -0.040 0.000 0.207 59 K C 1.967 178.530 176.600 -0.062 0.000 1.049 59 K CA 2.978 59.245 56.287 -0.033 0.000 0.931 59 K CB -0.480 32.001 32.500 -0.031 0.000 0.714 59 K HN -0.014 8.223 8.250 0.024 0.028 0.440 60 I N -1.746 118.790 120.570 -0.058 0.000 2.614 60 I HA -0.281 3.835 4.170 -0.091 0.000 0.258 60 I C 0.750 176.798 176.117 -0.114 0.000 1.189 60 I CA 1.103 62.354 61.300 -0.080 0.000 1.462 60 I CB 0.088 38.048 38.000 -0.066 0.000 1.092 60 I HN -0.162 8.023 8.210 -0.041 0.000 0.442 61 K N -0.616 119.728 120.400 -0.093 0.000 2.362 61 K HA -0.321 3.908 4.320 -0.151 0.000 0.200 61 K C 2.150 178.591 176.600 -0.264 0.000 1.046 61 K CA 2.636 58.840 56.287 -0.139 0.000 0.952 61 K CB -0.688 31.781 32.500 -0.052 0.000 0.753 61 K HN -0.584 7.607 8.250 -0.054 0.026 0.466 62 S N 0.866 116.431 115.700 -0.225 0.000 2.465 62 S HA -0.309 4.002 4.470 -0.265 0.000 0.241 62 S C 1.298 175.654 174.600 -0.406 0.000 1.000 62 S CA 2.789 60.828 58.200 -0.268 0.000 0.964 62 S CB -0.204 62.888 63.200 -0.179 0.000 0.763 62 S HN -0.448 7.716 8.310 -0.169 0.045 0.512 63 I N 2.282 122.569 120.570 -0.471 0.000 2.530 63 I HA -0.429 3.412 4.170 -0.548 0.000 0.257 63 I C 0.262 175.653 176.117 -1.210 0.000 1.179 63 I CA 1.942 62.827 61.300 -0.692 0.000 1.440 63 I CB -0.223 37.415 38.000 -0.603 0.000 1.087 63 I HN -0.736 7.205 8.210 -0.389 0.035 0.440 64 S N -0.003 114.982 115.700 -1.193 0.000 2.419 64 S HA -0.445 2.829 4.470 -1.994 0.000 0.235 64 S C 1.831 175.796 174.600 -1.060 0.000 1.019 64 S CA 2.919 60.164 58.200 -1.592 0.000 0.982 64 S CB -0.402 61.565 63.200 -2.056 0.000 0.789 64 S HN -0.166 7.552 8.310 -0.938 0.030 0.490 65 K N 1.931 121.923 120.400 -0.679 0.000 2.147 65 K HA -0.187 4.138 4.320 -0.313 -0.193 0.205 65 K C 2.287 178.678 176.600 -0.349 0.000 1.049 65 K CA 2.308 58.359 56.287 -0.393 0.000 0.936 65 K CB -0.435 31.901 32.500 -0.273 0.000 0.722 65 K HN -0.345 7.506 8.250 -0.629 0.022 0.446 66 Q N -1.332 118.199 119.800 -0.449 0.000 2.119 66 Q HA -0.276 3.955 4.340 -0.181 0.000 0.201 66 Q C 2.701 178.583 176.000 -0.196 0.000 0.972 66 Q CA 2.916 58.546 55.803 -0.287 0.000 0.847 66 Q CB -0.036 28.547 28.738 -0.258 0.000 0.903 66 Q HN -0.511 7.312 8.270 -0.573 0.102 0.433 67 F N -1.400 118.234 119.950 -0.525 0.000 2.186 67 F HA -0.249 3.850 4.527 -0.713 0.000 0.299 67 F C 2.345 177.798 175.800 -0.580 0.000 1.090 67 F CA 0.454 57.944 58.000 -0.850 0.000 1.307 67 F CB -1.029 37.031 39.000 -1.566 0.000 1.019 67 F HN -0.661 7.044 8.300 -0.853 0.084 0.489 68 E N -0.684 119.400 120.200 -0.192 0.000 2.110 68 E HA -0.427 3.950 4.350 0.046 0.000 0.193 68 E C 2.169 178.737 176.600 -0.054 0.000 0.988 68 E CA 3.040 59.420 56.400 -0.032 0.000 0.804 68 E CB -0.477 29.239 29.700 0.027 0.000 0.745 68 E HN -0.110 8.083 8.360 -0.278 0.000 0.458 69 K N -1.178 119.175 120.400 -0.078 0.000 2.026 69 K HA -0.215 4.083 4.320 -0.037 0.000 0.208 69 K C 3.055 179.625 176.600 -0.050 0.000 1.048 69 K CA 2.462 58.719 56.287 -0.050 0.000 0.929 69 K CB -0.452 32.020 32.500 -0.046 0.000 0.713 69 K HN -0.640 7.546 8.250 -0.107 0.000 0.439 70 T N 1.280 115.802 114.554 -0.052 0.000 2.720 70 T HA -0.331 3.999 4.350 -0.032 0.000 0.268 70 T C 1.747 176.263 174.700 -0.306 0.000 1.037 70 T CA 4.351 66.403 62.100 -0.080 0.000 1.144 70 T CB -0.283 68.614 68.868 0.048 0.000 0.864 70 T HN -0.572 7.646 8.240 -0.037 0.000 0.444 71 A N 0.363 122.952 122.820 -0.385 0.000 2.121 71 A HA -0.220 3.221 4.320 -1.465 0.000 0.218 71 A C 1.253 178.765 177.584 -0.120 0.000 1.154 71 A CA 2.332 54.026 52.037 -0.572 0.000 0.679 71 A CB -0.762 18.122 19.000 -0.193 0.000 0.795 71 A HN -0.385 7.549 8.150 -0.229 0.078 0.458 72 E N -3.244 116.925 120.200 -0.050 0.000 2.347 72 E HA -0.204 4.174 4.350 0.047 0.000 0.196 72 E C 0.006 176.637 176.600 0.052 0.000 1.008 72 E CA 0.754 57.167 56.400 0.022 0.000 0.852 72 E CB -0.005 29.702 29.700 0.011 0.000 0.783 72 E HN -0.752 7.435 8.360 -0.069 0.132 0.505 73 D N 0.229 120.659 120.400 0.049 0.000 2.458 73 D HA 0.055 4.740 4.640 0.075 0.000 0.243 73 D C 0.479 176.868 176.300 0.149 0.000 1.146 73 D CA -1.351 52.707 54.000 0.096 0.000 0.877 73 D CB 1.428 42.295 40.800 0.112 0.000 1.176 73 D HN -0.859 7.474 8.370 0.001 0.038 0.461 74 P HA -0.003 4.487 4.420 0.117 0.000 0.228 74 P C 0.316 177.697 177.300 0.136 0.000 1.151 74 P CA 1.242 64.410 63.100 0.115 0.000 0.770 74 P CB 0.210 31.958 31.700 0.079 0.000 0.786 75 R N -3.671 116.921 120.500 0.153 0.000 2.297 75 R HA 0.030 4.444 4.340 0.124 0.000 0.197 75 R C -0.982 175.441 176.300 0.204 0.000 0.943 75 R CA 0.732 56.922 56.100 0.151 0.000 1.038 75 R CB 0.660 31.035 30.300 0.124 0.000 0.957 75 R HN -0.192 8.467 8.270 0.152 -0.298 0.484 76 F N 0.752 120.752 119.950 0.083 0.000 2.443 76 F HA 0.710 5.499 4.527 0.091 -0.206 0.335 76 F C -1.498 174.348 175.800 0.076 0.000 1.104 76 F CA -1.310 56.742 58.000 0.088 0.000 1.013 76 F CB 2.787 41.846 39.000 0.098 0.000 1.136 76 F HN -0.644 7.710 8.300 0.359 0.161 0.470 77 R N 4.272 124.559 120.500 -0.355 0.000 2.686 77 R HA 0.346 4.645 4.340 -0.068 0.000 0.283 77 R C -2.419 173.572 176.300 -0.514 0.000 0.978 77 R CA -1.789 54.144 56.100 -0.278 0.000 0.897 77 R CB 4.017 34.189 30.300 -0.213 0.000 1.192 77 R HN 0.359 8.252 8.270 -0.628 0.000 0.457 78 F N 3.505 123.165 119.950 -0.484 0.000 2.436 78 F HA 0.530 5.016 4.527 -0.306 -0.143 0.340 78 F C -2.314 173.125 175.800 -0.602 0.000 1.113 78 F CA -1.643 56.151 58.000 -0.343 0.000 1.022 78 F CB 3.425 42.431 39.000 0.010 0.000 1.128 78 F HN 0.344 8.585 8.300 -0.099 0.000 0.466 79 F N 6.108 125.605 119.950 -0.756 0.000 2.676 79 F HA 0.377 4.747 4.527 -0.431 -0.101 0.371 79 F C -0.843 174.406 175.800 -0.918 0.000 1.141 79 F CA -1.489 56.139 58.000 -0.621 0.000 1.133 79 F CB 1.493 40.281 39.000 -0.353 0.000 1.376 79 F HN 0.731 8.584 8.300 -0.744 0.000 0.491 80 G N 0.624 108.901 108.800 -0.872 0.000 2.528 80 G HA2 0.055 3.797 3.960 -0.615 0.000 0.289 80 G HA3 0.055 3.807 3.960 -0.346 0.000 0.289 80 G C -0.714 174.064 174.900 -0.204 0.000 1.192 80 G CA -1.099 43.676 45.100 -0.541 0.000 0.921 80 G HN 0.759 8.512 8.290 -0.732 0.098 0.512 81 N N -1.525 117.101 118.700 -0.123 0.000 2.747 81 N HA -0.483 4.427 4.740 -0.036 -0.190 0.249 81 N C -1.492 173.902 175.510 -0.194 0.000 1.107 81 N CA 1.256 54.249 53.050 -0.094 0.000 0.707 81 N CB -0.423 38.018 38.487 -0.076 0.000 1.054 81 N HN 0.026 8.232 8.380 -0.097 0.116 0.555 82 V N -2.205 117.612 119.914 -0.162 0.000 2.376 82 V HA 0.118 4.054 4.120 -0.308 0.000 0.287 82 V C -0.953 175.169 176.094 0.047 0.000 1.015 82 V CA -1.400 60.805 62.300 -0.158 0.000 0.834 82 V CB 0.910 32.611 31.823 -0.204 0.000 1.001 82 V HN -0.148 7.934 8.190 -0.143 0.022 0.428 83 V N 9.180 129.284 119.914 0.318 0.000 2.318 83 V HA 0.087 4.283 4.120 0.127 0.000 0.271 83 V C -1.015 175.148 176.094 0.115 0.000 1.030 83 V CA -1.527 60.888 62.300 0.191 0.000 0.844 83 V CB 0.211 32.123 31.823 0.149 0.000 1.015 83 V HN 0.229 8.900 8.190 0.801 0.000 0.460 84 V N 7.357 127.323 119.914 0.087 0.000 2.572 84 V HA -0.250 4.063 4.120 0.082 -0.144 0.291 84 V C 1.087 177.229 176.094 0.081 0.000 1.039 84 V CA 0.768 63.127 62.300 0.097 0.000 1.055 84 V CB -0.689 31.222 31.823 0.146 0.000 0.969 84 V HN 0.410 8.650 8.190 0.083 0.000 0.482 85 G N 7.575 116.408 108.800 0.056 0.000 2.213 85 G HA2 -0.301 3.818 3.960 0.019 0.000 0.226 85 G HA3 -0.301 3.663 3.960 0.007 0.000 0.226 85 G C -0.821 174.056 174.900 -0.039 0.000 0.992 85 G CA 0.352 45.459 45.100 0.012 0.000 0.632 85 G HN 0.692 9.022 8.290 0.067 0.000 0.511 86 E N -0.385 119.767 120.200 -0.080 0.000 2.756 86 E HA 0.049 4.297 4.350 -0.169 0.000 0.192 86 E C 0.895 177.334 176.600 -0.269 0.000 1.022 86 E CA 0.426 56.700 56.400 -0.209 0.000 1.224 86 E CB 1.852 31.360 29.700 -0.320 0.000 1.252 86 E HN -0.313 7.949 8.360 -0.052 0.067 0.494 87 H N -1.743 117.284 119.070 -0.072 0.000 2.403 87 H HA -0.074 4.410 4.556 -0.119 0.000 0.298 87 H C -0.340 174.891 175.328 -0.161 0.000 1.059 87 H CA 3.200 59.172 56.048 -0.128 0.000 1.363 87 H CB 1.507 31.169 29.762 -0.166 0.000 1.410 87 H HN -0.222 7.951 8.280 -0.179 0.000 0.528 88 V N -7.855 112.057 119.914 -0.005 0.000 3.007 88 V HA 0.789 5.058 4.120 0.036 -0.127 0.311 88 V C -2.091 174.064 176.094 0.102 0.000 1.120 88 V CA -3.194 59.117 62.300 0.019 0.000 0.980 88 V CB 3.033 34.814 31.823 -0.069 0.000 1.033 88 V HN -0.899 7.306 8.190 0.024 0.000 0.429 89 Q N 2.106 122.005 119.800 0.165 0.000 2.226 89 Q HA 0.671 5.076 4.340 0.109 0.000 0.256 89 Q C -1.041 175.073 176.000 0.189 0.000 0.962 89 Q CA -3.330 52.557 55.803 0.141 0.000 0.887 89 Q CB 0.250 29.054 28.738 0.109 0.000 1.282 89 Q HN 0.146 8.862 8.270 0.218 -0.315 0.449 90 P HA -0.128 4.490 4.420 0.330 0.000 0.216 90 P C 1.355 178.765 177.300 0.184 0.000 1.154 90 P CA 3.076 66.310 63.100 0.222 0.000 0.865 90 P CB 0.248 32.017 31.700 0.114 0.000 0.789 91 G N -4.876 104.000 108.800 0.127 0.000 2.432 91 G HA2 -0.210 3.807 3.960 0.094 0.000 0.219 91 G HA3 -0.210 3.799 3.960 0.080 0.000 0.219 91 G C 1.477 176.444 174.900 0.113 0.000 1.135 91 G CA 1.728 46.889 45.100 0.102 0.000 0.767 91 G HN 0.392 8.746 8.290 0.107 0.000 0.550 92 E N 1.838 122.128 120.200 0.149 0.000 2.047 92 E HA -0.302 4.082 4.350 0.055 0.000 0.191 92 E C 2.460 179.136 176.600 0.126 0.000 0.987 92 E CA 2.291 58.773 56.400 0.136 0.000 0.799 92 E CB -0.285 29.601 29.700 0.311 0.000 0.752 92 E HN -0.747 7.706 8.360 0.173 0.011 0.449 93 L N -1.823 119.556 121.223 0.260 0.000 2.083 93 L HA -0.366 4.204 4.340 0.384 0.000 0.209 93 L C 2.045 179.083 176.870 0.281 0.000 1.083 93 L CA 2.832 57.857 54.840 0.308 0.000 0.752 93 L CB -0.226 41.980 42.059 0.245 0.000 0.899 93 L HN -0.586 7.815 8.230 0.287 0.000 0.433 94 S N -4.114 111.714 115.700 0.213 0.000 2.474 94 S HA -0.354 4.252 4.470 0.226 0.000 0.235 94 S C 1.256 175.960 174.600 0.173 0.000 0.997 94 S CA 2.737 61.055 58.200 0.196 0.000 0.949 94 S CB -0.183 63.109 63.200 0.153 0.000 0.766 94 S HN -0.156 8.272 8.310 0.197 0.000 0.517 95 E N 0.354 120.630 120.200 0.127 0.000 2.276 95 E HA -0.043 4.363 4.350 0.094 0.000 0.193 95 E C 1.446 178.133 176.600 0.146 0.000 0.983 95 E CA 0.653 57.108 56.400 0.091 0.000 0.861 95 E CB 0.112 29.822 29.700 0.016 0.000 0.817 95 E HN -0.729 7.561 8.360 0.108 0.135 0.485 96 R N -3.632 116.909 120.500 0.070 0.000 2.312 96 R HA 0.004 4.334 4.340 -0.017 0.000 0.205 96 R C -0.026 176.086 176.300 -0.313 0.000 0.904 96 R CA 1.002 57.032 56.100 -0.118 0.000 1.052 96 R CB 1.073 31.103 30.300 -0.450 0.000 1.014 96 R HN -0.809 7.406 8.270 0.074 0.100 0.503 97 Y N -3.303 117.094 120.300 0.160 0.000 2.536 97 Y HA 0.166 4.797 4.550 0.134 0.000 0.347 97 Y C -0.422 175.697 175.900 0.365 0.000 1.000 97 Y CA -0.795 57.426 58.100 0.202 0.000 1.051 97 Y CB 3.489 42.031 38.460 0.137 0.000 1.259 97 Y HN -0.633 7.865 8.280 0.364 0.000 0.468 98 D N 1.161 121.903 120.400 0.570 0.000 2.144 98 D HA -0.208 4.665 4.640 0.388 0.000 0.200 98 D C -0.387 176.078 176.300 0.275 0.000 0.978 98 D CA 2.762 57.011 54.000 0.414 0.000 0.833 98 D CB 1.087 42.129 40.800 0.403 0.000 0.961 98 D HN 0.258 8.994 8.370 0.609 0.000 0.470 99 A N -5.517 117.470 122.820 0.278 0.000 2.606 99 A HA 0.446 5.082 4.320 0.267 -0.156 0.293 99 A C -2.546 175.153 177.584 0.191 0.000 1.082 99 A CA -1.080 51.104 52.037 0.244 0.000 0.685 99 A CB 3.609 22.726 19.000 0.196 0.000 1.284 99 A HN -0.800 7.542 8.150 0.319 0.000 0.408 100 V N -0.724 119.308 119.914 0.195 0.000 2.638 100 V HA 0.796 5.066 4.120 -0.093 -0.206 0.306 100 V C -1.620 174.520 176.094 0.078 0.000 1.052 100 V CA -1.845 60.471 62.300 0.026 0.000 0.885 100 V CB 3.190 35.018 31.823 0.009 0.000 0.999 100 V HN 0.078 8.440 8.190 0.288 0.000 0.424 101 I N 5.342 125.859 120.570 -0.088 0.000 2.362 101 I HA 0.182 4.602 4.170 0.185 -0.140 0.289 101 I C -1.490 174.510 176.117 -0.196 0.000 0.994 101 I CA -1.067 60.233 61.300 0.000 0.000 1.158 101 I CB 1.604 39.602 38.000 -0.004 0.000 1.315 101 I HN 0.713 8.813 8.210 -0.185 0.000 0.451 102 Y N 7.469 127.821 120.300 0.088 0.000 2.383 102 Y HA -0.000 4.579 4.550 0.049 0.000 0.344 102 Y C -1.341 174.608 175.900 0.081 0.000 0.986 102 Y CA -0.132 58.011 58.100 0.072 0.000 1.175 102 Y CB 0.577 39.087 38.460 0.083 0.000 1.152 102 Y HN 0.771 9.147 8.280 0.333 0.104 0.511 103 A N 4.364 127.255 122.820 0.119 0.000 2.956 103 A HA 0.541 5.112 4.320 0.137 -0.168 0.294 103 A C -0.832 176.818 177.584 0.109 0.000 0.993 103 A CA -0.985 51.112 52.037 0.100 0.000 1.032 103 A CB 0.695 19.705 19.000 0.018 0.000 1.129 103 A HN 0.698 8.882 8.150 0.058 0.000 0.505 104 V N -4.650 115.370 119.914 0.177 0.000 3.623 104 V HA 0.018 4.223 4.120 0.141 0.000 0.271 104 V C 0.273 176.481 176.094 0.191 0.000 1.248 104 V CA -1.072 61.335 62.300 0.177 0.000 1.156 104 V CB -0.721 31.233 31.823 0.217 0.000 0.870 104 V HN -0.201 8.122 8.190 0.221 0.000 0.453 105 G N 2.089 111.016 108.800 0.211 0.000 2.601 105 G HA2 -0.378 3.771 3.960 0.315 0.000 0.261 105 G HA3 -0.378 3.708 3.960 0.210 0.000 0.261 105 G C -1.827 173.280 174.900 0.345 0.000 1.289 105 G CA -0.020 45.241 45.100 0.269 0.000 0.920 105 G HN -0.086 8.284 8.290 0.209 0.046 0.571 106 A N -1.121 121.958 122.820 0.433 0.000 2.360 106 A HA 0.231 4.772 4.320 0.368 0.000 0.309 106 A C -0.467 177.376 177.584 0.432 0.000 1.311 106 A CA -0.912 51.392 52.037 0.444 0.000 0.805 106 A CB 0.999 20.323 19.000 0.540 0.000 1.144 106 A HN -0.039 8.388 8.150 0.462 0.000 0.486 107 Q N 2.861 122.846 119.800 0.309 0.000 2.425 107 Q HA 0.005 4.531 4.340 0.310 0.000 0.204 107 Q C 0.509 176.638 176.000 0.215 0.000 0.933 107 Q CA 0.544 56.510 55.803 0.272 0.000 0.939 107 Q CB 0.431 29.305 28.738 0.227 0.000 1.044 107 Q HN 0.358 8.792 8.270 0.273 0.000 0.513 108 S N -2.113 113.686 115.700 0.164 0.000 2.855 108 S HA 0.183 4.698 4.470 0.076 0.000 0.308 108 S C -2.040 172.545 174.600 -0.025 0.000 1.077 108 S CA -1.498 56.748 58.200 0.076 0.000 0.896 108 S CB 1.287 64.538 63.200 0.086 0.000 1.339 108 S HN -0.198 8.228 8.310 0.195 0.000 0.602 109 D N -2.116 118.262 120.400 -0.037 0.000 2.527 109 D HA 0.265 4.827 4.640 -0.131 0.000 0.233 109 D C -0.970 175.327 176.300 -0.004 0.000 1.063 109 D CA -1.090 52.861 54.000 -0.081 0.000 0.880 109 D CB 3.044 43.774 40.800 -0.117 0.000 1.457 109 D HN -0.115 8.254 8.370 -0.002 0.000 0.475 110 R N -0.163 120.341 120.500 0.006 0.000 2.441 110 R HA 0.134 4.490 4.340 0.026 0.000 0.284 110 R C -0.254 176.049 176.300 0.005 0.000 1.070 110 R CA -0.126 55.984 56.100 0.017 0.000 1.047 110 R CB 1.146 31.460 30.300 0.023 0.000 1.016 110 R HN 0.104 8.377 8.270 0.005 0.000 0.477 111 M N 1.822 121.427 119.600 0.008 0.000 2.444 111 M HA -0.024 4.524 4.480 -0.003 -0.070 0.319 111 M C 0.306 176.607 176.300 0.002 0.000 1.183 111 M CA 0.165 55.466 55.300 0.002 0.000 1.032 111 M CB 1.930 34.533 32.600 0.004 0.000 1.569 111 M HN 0.213 8.511 8.290 0.013 0.000 0.468 112 L N 0.575 121.796 121.223 -0.003 0.000 2.240 112 L HA -0.141 4.198 4.340 -0.001 0.000 0.211 112 L C 0.343 177.212 176.870 -0.002 0.000 1.106 112 L CA 1.160 55.998 54.840 -0.003 0.000 0.793 112 L CB 0.358 42.412 42.059 -0.007 0.000 0.927 112 L HN 0.433 9.121 8.230 -0.005 -0.461 0.446 113 N N -3.396 115.303 118.700 -0.002 0.000 2.727 113 N HA -0.353 4.387 4.740 -0.001 0.000 0.251 113 N C -1.313 174.195 175.510 -0.003 0.000 1.040 113 N CA 1.428 54.477 53.050 -0.001 0.000 0.712 113 N CB -2.332 36.156 38.487 0.001 0.000 0.912 113 N HN -0.370 8.220 8.380 -0.002 -0.211 0.545 114 I N -7.067 113.500 120.570 -0.006 0.000 2.892 114 I HA 0.639 4.806 4.170 -0.005 0.000 0.306 114 I C -2.759 173.353 176.117 -0.008 0.000 1.078 114 I CA -3.252 58.044 61.300 -0.007 0.000 1.032 114 I CB 1.897 39.892 38.000 -0.008 0.000 1.229 114 I HN -0.900 7.474 8.210 -0.007 -0.168 0.435 115 P HA -0.051 4.364 4.420 -0.009 0.000 0.268 115 P C 0.037 177.330 177.300 -0.012 0.000 1.205 115 P CA 0.700 63.795 63.100 -0.009 0.000 0.771 115 P CB -0.255 31.441 31.700 -0.008 0.000 0.858 116 G N 4.132 112.925 108.800 -0.013 0.000 2.176 116 G HA2 -0.336 3.615 3.960 -0.016 0.000 0.253 116 G HA3 -0.336 3.874 3.960 -0.017 -0.260 0.253 116 G C 1.426 176.314 174.900 -0.019 0.000 0.979 116 G CA 1.027 46.117 45.100 -0.016 0.000 0.641 116 G HN 0.301 8.584 8.290 -0.012 0.000 0.530 117 E N 0.406 120.596 120.200 -0.017 0.000 2.209 117 E HA -0.333 4.003 4.350 -0.023 0.000 0.196 117 E C -0.281 176.307 176.600 -0.021 0.000 0.993 117 E CA 2.391 58.780 56.400 -0.019 0.000 0.819 117 E CB 0.104 29.794 29.700 -0.015 0.000 0.745 117 E HN -0.731 7.562 8.360 -0.015 0.058 0.477 118 D N -4.163 116.226 120.400 -0.018 0.000 2.339 118 D HA -0.007 4.621 4.640 -0.019 0.000 0.217 118 D C 0.222 176.509 176.300 -0.022 0.000 1.050 118 D CA 0.215 54.204 54.000 -0.019 0.000 0.856 118 D CB -0.529 40.261 40.800 -0.015 0.000 0.922 118 D HN -0.033 8.300 8.370 -0.017 0.027 0.518 119 L N 1.502 122.710 121.223 -0.024 0.000 2.485 119 L HA 0.061 4.386 4.340 -0.024 0.000 0.275 119 L C -1.639 175.211 176.870 -0.033 0.000 1.207 119 L CA -1.057 53.767 54.840 -0.027 0.000 0.855 119 L CB -0.271 41.772 42.059 -0.027 0.000 1.114 119 L HN -0.654 7.409 8.230 -0.024 0.153 0.485 120 P HA -0.036 4.358 4.420 -0.043 0.000 0.261 120 P C -0.263 177.008 177.300 -0.047 0.000 1.173 120 P CA 1.257 64.333 63.100 -0.040 0.000 0.760 120 P CB 0.154 31.833 31.700 -0.036 0.000 0.783 121 G N 1.537 110.301 108.800 -0.060 0.000 2.213 121 G HA2 -0.446 3.465 3.960 -0.082 0.000 0.226 121 G HA3 -0.446 3.477 3.960 -0.063 0.000 0.226 121 G C -1.286 173.569 174.900 -0.075 0.000 0.992 121 G CA 0.193 45.250 45.100 -0.070 0.000 0.632 121 G HN 0.491 8.742 8.290 -0.064 0.000 0.511 122 S N 2.252 117.915 115.700 -0.062 0.000 2.498 122 S HA 0.922 5.546 4.470 -0.068 -0.195 0.324 122 S C -0.041 174.527 174.600 -0.053 0.000 1.071 122 S CA -1.389 56.776 58.200 -0.059 0.000 1.113 122 S CB 0.947 64.121 63.200 -0.044 0.000 0.976 122 S HN -0.412 7.807 8.310 -0.054 0.059 0.462 123 I N 0.955 121.488 120.570 -0.061 0.000 3.264 123 I HA 0.474 4.626 4.170 -0.031 0.000 0.315 123 I C -2.602 173.492 176.117 -0.038 0.000 1.154 123 I CA -2.309 58.966 61.300 -0.043 0.000 0.962 123 I CB 4.569 42.545 38.000 -0.040 0.000 1.265 123 I HN 0.364 8.529 8.210 -0.076 0.000 0.463 124 A N -0.723 122.082 122.820 -0.025 0.000 2.295 124 A HA 0.404 4.835 4.320 -0.035 -0.132 0.318 124 A C 0.325 177.897 177.584 -0.021 0.000 1.134 124 A CA -1.777 50.237 52.037 -0.039 0.000 0.827 124 A CB 1.850 20.809 19.000 -0.069 0.000 1.136 124 A HN -0.004 8.137 8.150 -0.016 0.000 0.493 125 A N 1.639 124.456 122.820 -0.004 0.000 1.940 125 A HA -0.258 4.160 4.320 0.163 0.000 0.219 125 A C 1.836 179.387 177.584 -0.055 0.000 1.176 125 A CA 3.338 55.419 52.037 0.073 0.000 0.631 125 A CB -0.605 18.486 19.000 0.152 0.000 0.814 125 A HN 0.539 8.686 8.150 -0.005 0.000 0.446 126 V N -1.512 118.220 119.914 -0.303 0.000 2.278 126 V HA -0.444 3.309 4.120 -0.612 0.000 0.251 126 V C 1.767 177.510 176.094 -0.585 0.000 1.062 126 V CA 4.189 66.139 62.300 -0.583 0.000 1.038 126 V CB -0.950 30.438 31.823 -0.726 0.000 0.646 126 V HN 0.208 8.197 8.190 -0.325 0.006 0.447 127 D N -0.227 119.964 120.400 -0.348 0.000 2.117 127 D HA -0.228 4.058 4.640 -0.591 0.000 0.198 127 D C 2.378 178.617 176.300 -0.101 0.000 0.982 127 D CA 3.694 57.545 54.000 -0.249 0.000 0.828 127 D CB -0.352 40.494 40.800 0.077 0.000 0.967 127 D HN -0.738 7.509 8.370 -0.204 0.000 0.464 128 F N 1.477 121.343 119.950 -0.141 0.000 2.113 128 F HA -0.378 4.206 4.527 0.095 0.000 0.297 128 F C 1.129 176.831 175.800 -0.164 0.000 1.103 128 F CA 3.185 61.185 58.000 -0.000 0.000 1.248 128 F CB 0.319 39.352 39.000 0.055 0.000 0.999 128 F HN -0.504 7.879 8.300 0.138 0.000 0.475 129 V N -1.241 118.380 119.914 -0.489 0.000 2.295 129 V HA -0.548 2.132 4.120 -2.399 0.000 0.246 129 V C 2.194 177.846 176.094 -0.738 0.000 1.049 129 V CA 4.570 66.222 62.300 -1.080 0.000 1.024 129 V CB -0.963 30.618 31.823 -0.404 0.000 0.648 129 V HN 0.403 8.468 8.190 -0.208 0.000 0.447 130 G N -1.334 107.140 108.800 -0.544 0.000 2.440 130 G HA2 -0.327 3.511 3.960 -0.205 0.000 0.218 130 G HA3 -0.327 3.104 3.960 -0.883 0.000 0.218 130 G C 0.568 175.492 174.900 0.040 0.000 1.154 130 G CA 2.077 46.939 45.100 -0.396 0.000 0.767 130 G HN -0.208 7.697 8.290 -0.642 0.000 0.552 131 W N 4.066 125.289 121.300 -0.129 0.000 2.354 131 W HA -0.269 4.659 4.660 0.276 -0.103 0.315 131 W C 1.741 178.353 176.519 0.155 0.000 1.206 131 W CA 3.615 61.026 57.345 0.110 0.000 1.290 131 W CB 0.275 29.768 29.460 0.055 0.000 1.152 131 W HN -0.361 7.877 8.180 0.096 0.000 0.489 132 Y N -4.743 115.455 120.300 -0.171 0.000 2.509 132 Y HA -0.220 3.849 4.550 -0.802 0.000 0.293 132 Y C 1.224 176.939 175.900 -0.308 0.000 1.133 132 Y CA -0.265 57.548 58.100 -0.479 0.000 1.283 132 Y CB -1.494 36.679 38.460 -0.478 0.000 1.001 132 Y HN 0.034 8.186 8.280 -0.214 0.000 0.555 133 N N 0.011 118.709 118.700 -0.004 0.000 2.268 133 N HA 0.111 4.891 4.740 0.068 0.000 0.204 133 N C -1.366 174.163 175.510 0.033 0.000 1.124 133 N CA -0.552 52.527 53.050 0.048 0.000 0.838 133 N CB 0.530 39.057 38.487 0.067 0.000 0.994 133 N HN -0.360 7.912 8.380 -0.135 0.027 0.489 134 A N -3.340 119.487 122.820 0.011 0.000 2.872 134 A HA -0.475 3.925 4.320 0.133 0.000 0.273 134 A C -1.411 176.287 177.584 0.189 0.000 1.442 134 A CA 1.207 53.285 52.037 0.069 0.000 0.801 134 A CB -2.222 16.748 19.000 -0.050 0.000 1.031 134 A HN -0.677 7.303 8.150 -0.023 0.156 0.582 135 H N 0.494 119.665 119.070 0.169 0.000 2.929 135 H HA 0.099 4.736 4.556 0.136 0.000 0.317 135 H C -0.752 174.729 175.328 0.255 0.000 1.031 135 H CA -0.085 56.089 56.048 0.210 0.000 1.466 135 H CB 1.017 30.971 29.762 0.319 0.000 1.482 135 H HN -0.300 8.171 8.280 0.362 0.026 0.561 136 P HA -0.139 4.654 4.420 0.260 -0.217 0.217 136 P C 1.246 178.800 177.300 0.423 0.000 1.148 136 P CA 2.352 65.637 63.100 0.309 0.000 0.828 136 P CB 0.306 32.127 31.700 0.202 0.000 0.783 137 H N -3.082 116.195 119.070 0.344 0.000 2.559 137 H HA -0.140 4.338 4.556 -0.130 0.000 0.273 137 H C 1.030 176.049 175.328 -0.516 0.000 1.000 137 H CA 1.164 57.103 56.048 -0.183 0.000 1.195 137 H CB 0.265 29.760 29.762 -0.444 0.000 1.368 137 H HN -0.518 8.346 8.280 1.004 0.019 0.592 138 F N -4.268 115.843 119.950 0.268 0.000 2.735 138 F HA 0.290 4.901 4.527 0.141 0.000 0.308 138 F C -0.213 175.742 175.800 0.259 0.000 1.112 138 F CA -1.066 57.051 58.000 0.195 0.000 1.235 138 F CB 0.269 39.358 39.000 0.149 0.000 1.027 138 F HN -0.298 8.209 8.300 0.441 0.058 0.528 139 E N 1.283 121.665 120.200 0.303 0.000 2.153 139 E HA -0.378 4.068 4.350 0.160 0.000 0.194 139 E C -0.189 176.482 176.600 0.118 0.000 0.988 139 E CA 3.349 59.858 56.400 0.182 0.000 0.811 139 E CB 0.135 29.922 29.700 0.145 0.000 0.746 139 E HN -0.659 7.851 8.360 0.250 0.000 0.466 140 Q N -3.898 115.972 119.800 0.117 0.000 2.220 140 Q HA -0.089 4.276 4.340 0.042 0.000 0.205 140 Q C 0.678 176.681 176.000 0.004 0.000 0.865 140 Q CA -0.038 55.795 55.803 0.050 0.000 0.960 140 Q CB -0.912 27.837 28.738 0.018 0.000 1.097 140 Q HN -0.114 8.201 8.270 0.114 0.023 0.493 141 V N 0.197 120.121 119.914 0.017 0.000 2.295 141 V HA -0.395 3.687 4.120 -0.065 0.000 0.246 141 V C -0.141 175.727 176.094 -0.376 0.000 1.049 141 V CA 2.594 64.808 62.300 -0.143 0.000 1.024 141 V CB -0.103 31.668 31.823 -0.086 0.000 0.648 141 V HN -0.758 7.475 8.190 0.160 0.053 0.447 142 S N -3.088 112.205 115.700 -0.678 0.000 3.336 142 S HA -0.210 3.953 4.470 -0.510 0.000 0.362 142 S C -1.690 172.657 174.600 -0.421 0.000 0.941 142 S CA -0.319 57.599 58.200 -0.470 0.000 1.297 142 S CB -0.727 62.414 63.200 -0.099 0.000 0.915 142 S HN 0.057 7.805 8.310 -0.937 0.000 0.527 143 P HA 0.016 4.292 4.420 -0.241 0.000 0.274 143 P C -1.343 175.854 177.300 -0.172 0.000 1.231 143 P CA -0.420 62.487 63.100 -0.322 0.000 0.790 143 P CB 0.626 32.143 31.700 -0.305 0.000 0.951 144 D N 0.487 120.828 120.400 -0.099 0.000 2.338 144 D HA -0.029 4.598 4.640 -0.021 0.000 0.255 144 D C -0.011 176.273 176.300 -0.026 0.000 1.237 144 D CA -0.122 53.852 54.000 -0.042 0.000 0.883 144 D CB -0.499 40.279 40.800 -0.038 0.000 1.087 144 D HN 0.177 8.486 8.370 -0.103 0.000 0.485 145 L N 5.488 126.723 121.223 0.019 0.000 2.872 145 L HA 0.241 4.590 4.340 0.014 0.000 0.245 145 L C 0.348 177.238 176.870 0.033 0.000 1.211 145 L CA -0.807 54.058 54.840 0.041 0.000 1.013 145 L CB -1.029 41.103 42.059 0.122 0.000 1.326 145 L HN 0.306 8.560 8.230 0.039 0.000 0.525 146 S N -0.282 115.428 115.700 0.018 0.000 2.501 146 S HA -0.099 4.385 4.470 0.023 0.000 0.220 146 S C 0.777 175.379 174.600 0.003 0.000 0.997 146 S CA 0.774 58.983 58.200 0.015 0.000 0.919 146 S CB 0.515 63.723 63.200 0.014 0.000 0.778 146 S HN -0.521 8.033 8.310 0.009 -0.238 0.523 147 G N -0.624 108.172 108.800 -0.007 0.000 2.476 147 G HA2 0.040 3.994 3.960 -0.011 0.000 0.269 147 G HA3 0.040 4.082 3.960 -0.020 -0.094 0.269 147 G C -0.323 174.567 174.900 -0.016 0.000 1.195 147 G CA -1.275 43.817 45.100 -0.014 0.000 0.843 147 G HN -0.709 7.575 8.290 -0.011 0.000 0.545 148 A N 2.035 124.846 122.820 -0.015 0.000 1.969 148 A HA -0.033 4.476 4.320 -0.011 -0.196 0.218 148 A C 0.182 177.751 177.584 -0.025 0.000 1.169 148 A CA 1.531 53.559 52.037 -0.015 0.000 0.635 148 A CB 0.670 19.663 19.000 -0.012 0.000 0.810 148 A HN 0.510 8.663 8.150 -0.014 -0.012 0.445 149 R N -1.783 118.697 120.500 -0.033 0.000 2.494 149 R HA 0.790 5.302 4.340 -0.046 -0.199 0.305 149 R C -2.509 173.755 176.300 -0.059 0.000 0.959 149 R CA -1.640 54.434 56.100 -0.044 0.000 0.864 149 R CB 3.485 33.760 30.300 -0.041 0.000 1.159 149 R HN -0.308 8.269 8.270 -0.031 -0.326 0.446 150 A N 6.208 128.983 122.820 -0.075 0.000 2.355 150 A HA 0.964 5.404 4.320 -0.099 -0.180 0.324 150 A C -2.441 175.081 177.584 -0.105 0.000 1.117 150 A CA -2.399 49.578 52.037 -0.100 0.000 0.785 150 A CB 3.640 22.565 19.000 -0.124 0.000 1.254 150 A HN 0.638 8.744 8.150 -0.074 0.000 0.453 151 V N 1.488 121.338 119.914 -0.107 0.000 2.540 151 V HA 0.665 4.890 4.120 -0.109 -0.171 0.302 151 V C -1.506 174.522 176.094 -0.109 0.000 1.035 151 V CA -1.739 60.500 62.300 -0.103 0.000 0.873 151 V CB 2.991 34.766 31.823 -0.080 0.000 0.992 151 V HN 0.383 8.507 8.190 -0.109 0.000 0.428 152 V N 7.579 127.427 119.914 -0.109 0.000 2.409 152 V HA 0.640 4.930 4.120 -0.082 -0.220 0.291 152 V C -0.886 175.171 176.094 -0.061 0.000 1.020 152 V CA -1.982 60.267 62.300 -0.085 0.000 0.848 152 V CB 2.107 33.882 31.823 -0.080 0.000 0.990 152 V HN 0.702 8.819 8.190 -0.120 0.000 0.430 153 I N 5.949 126.498 120.570 -0.036 0.000 2.331 153 I HA 0.334 4.618 4.170 -0.030 -0.132 0.292 153 I C -0.197 175.925 176.117 0.008 0.000 0.998 153 I CA -2.607 58.681 61.300 -0.021 0.000 1.267 153 I CB -0.902 37.087 38.000 -0.019 0.000 1.386 153 I HN 0.261 8.450 8.210 -0.035 0.000 0.476 154 G N 7.710 116.518 108.800 0.013 0.000 2.375 154 G HA2 -0.184 3.782 3.960 0.009 0.000 0.663 154 G HA3 -0.184 3.997 3.960 0.041 -0.196 0.663 154 G C -2.777 172.149 174.900 0.043 0.000 1.391 154 G CA -0.115 45.001 45.100 0.026 0.000 0.949 154 G HN 0.420 8.711 8.290 0.001 0.000 0.646 155 N N -0.257 118.405 118.700 -0.062 0.000 2.497 155 N HA 0.191 4.806 4.740 -0.209 0.000 0.284 155 N C -1.020 174.089 175.510 -0.668 0.000 1.459 155 N CA -0.641 52.179 53.050 -0.382 0.000 0.899 155 N CB 1.168 39.434 38.487 -0.369 0.000 1.316 155 N HN 0.255 8.591 8.380 -0.074 0.000 0.500 156 G N -0.738 107.988 108.800 -0.123 0.000 2.601 156 G HA2 0.309 4.228 3.960 -0.067 0.000 0.317 156 G HA3 0.309 4.310 3.960 0.069 0.000 0.317 156 G C -0.655 174.462 174.900 0.363 0.000 1.246 156 G CA -1.835 43.287 45.100 0.037 0.000 1.012 156 G HN -0.247 8.055 8.290 0.021 0.000 0.494 157 N N -0.790 118.121 118.700 0.352 0.000 2.381 157 N HA -0.208 4.829 4.740 0.496 0.000 0.182 157 N C 1.631 177.336 175.510 0.325 0.000 1.025 157 N CA 2.387 55.671 53.050 0.390 0.000 0.888 157 N CB -0.475 38.196 38.487 0.307 0.000 0.965 157 N HN 0.394 8.935 8.380 0.269 0.000 0.438 158 V N -0.224 119.861 119.914 0.286 0.000 2.407 158 V HA -0.342 3.948 4.120 0.283 0.000 0.248 158 V C 1.329 177.589 176.094 0.275 0.000 1.055 158 V CA 3.711 66.180 62.300 0.282 0.000 1.049 158 V CB -0.914 31.087 31.823 0.298 0.000 0.662 158 V HN -0.086 8.247 8.190 0.264 0.016 0.455 159 A N 0.235 123.218 122.820 0.272 0.000 1.908 159 A HA -0.338 4.091 4.320 0.182 0.000 0.218 159 A C 2.154 179.856 177.584 0.196 0.000 1.181 159 A CA 3.181 55.355 52.037 0.228 0.000 0.627 159 A CB -0.888 18.266 19.000 0.257 0.000 0.818 159 A HN -0.567 7.754 8.150 0.285 0.000 0.445 160 L N -2.428 118.941 121.223 0.242 0.000 2.046 160 L HA -0.464 3.918 4.340 0.070 0.000 0.208 160 L C 2.113 179.061 176.870 0.130 0.000 1.077 160 L CA 2.994 57.919 54.840 0.142 0.000 0.747 160 L CB -0.686 41.458 42.059 0.142 0.000 0.896 160 L HN -0.648 7.781 8.230 0.332 0.000 0.432 161 D N -0.850 119.662 120.400 0.186 0.000 2.104 161 D HA -0.287 4.393 4.640 0.066 0.000 0.194 161 D C 2.674 179.102 176.300 0.212 0.000 0.994 161 D CA 3.437 57.536 54.000 0.164 0.000 0.830 161 D CB -0.612 40.341 40.800 0.254 0.000 0.959 161 D HN -0.506 7.927 8.370 0.229 0.074 0.452 162 V N -0.425 119.670 119.914 0.301 0.000 2.287 162 V HA -0.482 4.031 4.120 0.656 0.000 0.248 162 V C 1.953 178.168 176.094 0.203 0.000 1.053 162 V CA 4.245 66.775 62.300 0.384 0.000 1.027 162 V CB -0.643 31.345 31.823 0.274 0.000 0.646 162 V HN -0.280 8.082 8.190 0.286 0.000 0.447 163 A N -1.314 121.553 122.820 0.079 0.000 1.902 163 A HA -0.336 3.969 4.320 -0.024 0.000 0.217 163 A C 2.191 179.774 177.584 -0.001 0.000 1.181 163 A CA 3.148 55.181 52.037 -0.006 0.000 0.623 163 A CB -0.583 18.366 19.000 -0.085 0.000 0.818 163 A HN -0.331 7.865 8.150 0.077 0.000 0.443 164 R N -2.660 117.841 120.500 0.001 0.000 2.081 164 R HA -0.336 3.982 4.340 -0.037 0.000 0.235 164 R C 2.504 178.772 176.300 -0.052 0.000 1.131 164 R CA 3.454 59.533 56.100 -0.035 0.000 0.960 164 R CB -0.066 30.197 30.300 -0.061 0.000 0.856 164 R HN -0.313 7.967 8.270 0.018 0.000 0.436 165 I N -1.217 119.321 120.570 -0.053 0.000 2.315 165 I HA -0.306 3.757 4.170 -0.178 0.000 0.248 165 I C 1.641 177.780 176.117 0.037 0.000 1.117 165 I CA 1.828 63.059 61.300 -0.116 0.000 1.404 165 I CB -0.864 36.894 38.000 -0.404 0.000 1.071 165 I HN -0.381 7.820 8.210 -0.015 0.000 0.419 166 L N -2.986 118.312 121.223 0.126 0.000 2.201 166 L HA -0.294 4.154 4.340 0.180 0.000 0.212 166 L C 1.443 178.335 176.870 0.037 0.000 1.105 166 L CA 2.636 57.544 54.840 0.114 0.000 0.775 166 L CB 0.196 42.289 42.059 0.057 0.000 0.913 166 L HN -0.579 7.735 8.230 0.140 0.000 0.440 167 L N -6.719 114.505 121.223 0.000 0.000 2.672 167 L HA 0.101 4.431 4.340 -0.017 0.000 0.236 167 L C -0.027 176.822 176.870 -0.035 0.000 1.092 167 L CA -0.489 54.338 54.840 -0.022 0.000 0.887 167 L CB 1.146 43.182 42.059 -0.037 0.000 1.168 167 L HN -0.807 7.287 8.230 -0.005 0.134 0.502 168 T N 2.098 116.627 114.554 -0.041 0.000 2.916 168 T HA -0.153 4.166 4.350 -0.052 0.000 0.303 168 T C -0.463 174.208 174.700 -0.048 0.000 1.025 168 T CA 2.316 64.385 62.100 -0.052 0.000 1.142 168 T CB 0.560 69.387 68.868 -0.068 0.000 0.947 168 T HN -0.606 7.609 8.240 -0.041 0.000 0.544 169 D N 6.625 126.994 120.400 -0.051 0.000 2.581 169 D HA -0.129 4.484 4.640 -0.044 0.000 0.238 169 D C -0.199 176.074 176.300 -0.045 0.000 1.145 169 D CA -0.923 53.048 54.000 -0.047 0.000 0.866 169 D CB 0.826 41.597 40.800 -0.049 0.000 1.151 169 D HN 0.428 8.765 8.370 -0.055 0.000 0.500 170 P HA -0.183 4.207 4.420 -0.051 0.000 0.221 170 P C 0.526 177.795 177.300 -0.051 0.000 1.145 170 P CA 1.636 64.710 63.100 -0.043 0.000 0.795 170 P CB 0.254 31.938 31.700 -0.028 0.000 0.775 171 D N -2.583 117.792 120.400 -0.043 0.000 2.219 171 D HA -0.196 4.416 4.640 -0.048 0.000 0.205 171 D C 1.411 177.684 176.300 -0.044 0.000 0.970 171 D CA 2.778 56.752 54.000 -0.042 0.000 0.851 171 D CB -0.606 40.176 40.800 -0.030 0.000 0.943 171 D HN -0.279 8.345 8.370 -0.038 -0.277 0.488 172 V N -1.320 118.567 119.914 -0.045 0.000 2.323 172 V HA -0.283 3.814 4.120 -0.038 0.000 0.244 172 V C 2.115 178.173 176.094 -0.059 0.000 1.041 172 V CA 3.003 65.276 62.300 -0.046 0.000 1.025 172 V CB 0.122 31.919 31.823 -0.043 0.000 0.656 172 V HN -0.513 7.541 8.190 -0.045 0.109 0.451 173 L N -0.785 120.394 121.223 -0.073 0.000 2.191 173 L HA -0.315 3.966 4.340 -0.099 0.000 0.212 173 L C 2.125 178.937 176.870 -0.096 0.000 1.103 173 L CA 2.778 57.560 54.840 -0.095 0.000 0.769 173 L CB -1.096 40.895 42.059 -0.113 0.000 0.908 173 L HN -0.559 7.629 8.230 -0.071 0.000 0.438 174 A N -3.035 119.731 122.820 -0.089 0.000 2.178 174 A HA -0.259 3.988 4.320 -0.122 0.000 0.218 174 A C 0.390 177.920 177.584 -0.090 0.000 1.157 174 A CA 2.039 54.013 52.037 -0.106 0.000 0.689 174 A CB -0.557 18.375 19.000 -0.113 0.000 0.787 174 A HN -0.257 7.823 8.150 -0.080 0.022 0.465 175 R N -6.543 113.919 120.500 -0.063 0.000 2.317 175 R HA 0.180 4.500 4.340 -0.033 0.000 0.208 175 R C 0.268 176.542 176.300 -0.043 0.000 0.914 175 R CA -1.121 54.954 56.100 -0.041 0.000 1.060 175 R CB -0.014 30.270 30.300 -0.027 0.000 1.015 175 R HN -0.601 7.590 8.270 -0.061 0.042 0.498 176 T N -3.109 111.410 114.554 -0.059 0.000 2.910 176 T HA 0.142 4.469 4.350 -0.039 0.000 0.279 176 T C -0.741 173.924 174.700 -0.059 0.000 0.989 176 T CA -1.778 60.290 62.100 -0.055 0.000 0.968 176 T CB 2.487 71.312 68.868 -0.070 0.000 1.135 176 T HN -0.358 7.675 8.240 -0.073 0.163 0.562 177 D N -0.288 120.085 120.400 -0.044 0.000 2.325 177 D HA 0.040 4.795 4.640 -0.051 -0.146 0.234 177 D C 0.037 176.298 176.300 -0.066 0.000 1.122 177 D CA -1.540 52.435 54.000 -0.042 0.000 0.850 177 D CB -1.372 39.426 40.800 -0.004 0.000 0.921 177 D HN 0.276 8.628 8.370 -0.031 0.000 0.513 178 I N -0.086 120.425 120.570 -0.099 0.000 2.932 178 I HA -0.471 3.731 4.170 -0.110 -0.098 0.295 178 I C -1.198 174.793 176.117 -0.209 0.000 1.227 178 I CA 0.962 62.174 61.300 -0.146 0.000 1.429 178 I CB 1.034 38.920 38.000 -0.190 0.000 1.339 178 I HN -0.726 7.351 8.210 -0.100 0.074 0.589 179 A N 5.871 128.503 122.820 -0.313 0.000 2.540 179 A HA -0.221 3.854 4.320 -0.408 0.000 0.239 179 A C 0.435 177.725 177.584 -0.490 0.000 1.061 179 A CA 0.722 52.446 52.037 -0.521 0.000 0.758 179 A CB 0.718 19.112 19.000 -1.011 0.000 0.991 179 A HN 0.167 8.141 8.150 -0.293 0.000 0.502 180 D N 4.527 124.704 120.400 -0.372 0.000 2.149 180 D HA -0.421 4.106 4.640 -0.189 0.000 0.198 180 D C 1.311 177.500 176.300 -0.185 0.000 0.990 180 D CA 4.045 57.911 54.000 -0.223 0.000 0.839 180 D CB 0.061 40.789 40.800 -0.120 0.000 0.948 180 D HN 0.638 8.811 8.370 -0.329 0.000 0.460 181 H N -4.052 114.935 119.070 -0.138 0.000 2.421 181 H HA -0.142 4.566 4.556 -0.010 -0.158 0.298 181 H C 0.955 176.180 175.328 -0.172 0.000 1.087 181 H CA 1.906 57.898 56.048 -0.093 0.000 1.330 181 H CB -0.948 28.800 29.762 -0.025 0.000 1.388 181 H HN 0.060 8.037 8.280 -0.505 0.000 0.526 182 A N -0.291 122.290 122.820 -0.398 0.000 1.898 182 A HA -0.203 3.764 4.320 -0.588 0.000 0.214 182 A C 1.850 179.350 177.584 -0.141 0.000 1.183 182 A CA 2.315 54.016 52.037 -0.560 0.000 0.622 182 A CB -0.472 17.957 19.000 -0.951 0.000 0.824 182 A HN -0.560 7.086 8.150 -0.664 0.106 0.444 183 L N -1.547 119.577 121.223 -0.164 0.000 2.042 183 L HA -0.546 3.747 4.340 -0.078 0.000 0.210 183 L C 2.221 179.086 176.870 -0.009 0.000 1.076 183 L CA 3.278 58.066 54.840 -0.086 0.000 0.749 183 L CB -0.217 41.772 42.059 -0.117 0.000 0.893 183 L HN -0.292 7.797 8.230 -0.234 0.000 0.432 184 E N -1.412 118.798 120.200 0.017 0.000 2.085 184 E HA -0.339 4.034 4.350 0.038 0.000 0.194 184 E C 2.166 178.834 176.600 0.113 0.000 0.994 184 E CA 2.906 59.344 56.400 0.063 0.000 0.801 184 E CB -0.374 29.378 29.700 0.088 0.000 0.743 184 E HN -0.435 7.925 8.360 -0.001 0.000 0.453 185 S N -2.337 113.480 115.700 0.194 0.000 2.428 185 S HA -0.135 4.456 4.470 0.201 0.000 0.230 185 S C 1.075 175.796 174.600 0.201 0.000 1.014 185 S CA 2.575 60.925 58.200 0.252 0.000 0.957 185 S CB 0.240 63.724 63.200 0.473 0.000 0.784 185 S HN -0.660 7.783 8.310 0.221 0.000 0.499 186 L N -1.314 120.008 121.223 0.165 0.000 2.375 186 L HA -0.024 4.402 4.340 0.143 0.000 0.215 186 L C 1.694 178.601 176.870 0.062 0.000 1.108 186 L CA 1.831 56.742 54.840 0.119 0.000 0.830 186 L CB -0.031 42.080 42.059 0.087 0.000 0.959 186 L HN -0.401 7.816 8.230 0.144 0.100 0.457 187 R N -1.145 119.382 120.500 0.046 0.000 2.105 187 R HA -0.258 4.088 4.340 0.010 0.000 0.239 187 R C -0.500 175.815 176.300 0.025 0.000 1.135 187 R CA 4.136 60.250 56.100 0.022 0.000 0.967 187 R CB -1.563 28.744 30.300 0.013 0.000 0.861 187 R HN -0.619 7.683 8.270 0.052 0.000 0.442 188 P HA -0.063 4.371 4.420 0.024 0.000 0.225 188 P C -0.538 176.777 177.300 0.024 0.000 1.148 188 P CA 0.200 63.318 63.100 0.030 0.000 0.779 188 P CB -0.206 31.517 31.700 0.039 0.000 0.780 189 R N -5.603 114.914 120.500 0.028 0.000 3.423 189 R HA -0.348 4.006 4.340 0.022 0.000 0.271 189 R C 0.412 176.723 176.300 0.017 0.000 1.093 189 R CA 0.515 56.626 56.100 0.019 0.000 0.730 189 R CB -3.163 27.140 30.300 0.004 0.000 1.190 189 R HN -0.394 7.862 8.270 0.037 0.037 0.437 190 G N -2.548 106.267 108.800 0.026 0.000 2.408 190 G HA2 -0.202 3.766 3.960 0.014 0.000 0.217 190 G HA3 -0.202 3.908 3.960 0.022 -0.137 0.217 190 G C -0.725 174.180 174.900 0.009 0.000 1.150 190 G CA 0.682 45.793 45.100 0.018 0.000 0.776 190 G HN 0.208 8.520 8.290 0.036 0.000 0.542 191 I N 0.945 121.521 120.570 0.010 0.000 2.471 191 I HA -0.055 4.385 4.170 -0.011 -0.277 0.286 191 I C -0.169 175.942 176.117 -0.009 0.000 1.079 191 I CA 0.556 61.853 61.300 -0.005 0.000 1.398 191 I CB 0.106 38.102 38.000 -0.008 0.000 1.403 191 I HN -0.407 7.815 8.210 0.020 0.000 0.530 192 Q N 6.156 125.948 119.800 -0.014 0.000 2.378 192 Q HA 0.199 4.533 4.340 -0.010 0.000 0.229 192 Q C -0.537 175.452 176.000 -0.019 0.000 0.882 192 Q CA -0.069 55.727 55.803 -0.012 0.000 0.936 192 Q CB 1.997 30.732 28.738 -0.005 0.000 1.092 192 Q HN 0.583 8.731 8.270 -0.016 0.113 0.535 193 E N -1.063 119.118 120.200 -0.030 0.000 2.304 193 E HA 0.747 5.294 4.350 -0.043 -0.223 0.277 193 E C -2.740 173.821 176.600 -0.065 0.000 0.898 193 E CA -1.104 55.270 56.400 -0.043 0.000 0.764 193 E CB 3.745 33.423 29.700 -0.036 0.000 1.216 193 E HN -0.488 7.853 8.360 -0.032 0.000 0.419 194 V N 6.016 125.876 119.914 -0.089 0.000 2.448 194 V HA 0.690 4.972 4.120 -0.111 -0.229 0.295 194 V C -1.675 174.323 176.094 -0.159 0.000 1.025 194 V CA -2.001 60.226 62.300 -0.121 0.000 0.859 194 V CB 2.194 33.938 31.823 -0.132 0.000 0.988 194 V HN 0.604 8.739 8.190 -0.091 0.000 0.431 195 V N 8.115 127.938 119.914 -0.152 0.000 2.350 195 V HA 0.354 4.517 4.120 -0.199 -0.162 0.276 195 V C -0.833 175.134 176.094 -0.213 0.000 1.028 195 V CA -1.321 60.875 62.300 -0.173 0.000 0.860 195 V CB 0.476 32.231 31.823 -0.113 0.000 0.990 195 V HN 0.388 8.500 8.190 -0.131 0.000 0.453 196 I N 8.756 129.128 120.570 -0.330 0.000 2.304 196 I HA 0.301 4.529 4.170 -0.218 -0.189 0.291 196 I C -1.173 174.799 176.117 -0.242 0.000 1.018 196 I CA -0.549 60.559 61.300 -0.319 0.000 1.260 196 I CB 1.006 38.663 38.000 -0.572 0.000 1.390 196 I HN 0.915 8.871 8.210 -0.424 0.000 0.475 197 V N 8.358 128.187 119.914 -0.141 0.000 2.334 197 V HA 0.579 4.782 4.120 -0.140 -0.168 0.281 197 V C -0.687 175.366 176.094 -0.068 0.000 1.016 197 V CA -1.884 60.350 62.300 -0.109 0.000 0.832 197 V CB 0.547 32.328 31.823 -0.071 0.000 0.999 197 V HN 0.631 8.755 8.190 -0.109 0.000 0.439 198 G N 5.469 114.220 108.800 -0.082 0.000 2.372 198 G HA2 0.563 4.532 3.960 0.015 0.000 0.323 198 G HA3 0.563 4.754 3.960 0.047 -0.204 0.323 198 G C -0.695 174.248 174.900 0.072 0.000 1.152 198 G CA -1.388 43.721 45.100 0.014 0.000 0.906 198 G HN 0.615 8.816 8.290 -0.149 0.000 0.460 199 R N 3.336 123.874 120.500 0.062 0.000 2.090 199 R HA -0.153 4.407 4.340 0.056 -0.187 0.228 199 R C 0.411 176.762 176.300 0.085 0.000 1.110 199 R CA 1.567 57.703 56.100 0.060 0.000 0.973 199 R CB 0.065 30.385 30.300 0.033 0.000 0.869 199 R HN 0.479 8.776 8.270 0.046 0.000 0.440 200 R N -2.253 118.307 120.500 0.100 0.000 2.601 200 R HA 0.335 4.724 4.340 0.081 0.000 0.220 200 R C 0.070 176.475 176.300 0.176 0.000 1.329 200 R CA -0.666 55.493 56.100 0.098 0.000 1.043 200 R CB 1.746 32.078 30.300 0.053 0.000 1.807 200 R HN -0.409 7.918 8.270 0.095 0.000 0.537 201 G N -2.759 106.098 108.800 0.096 0.000 2.705 201 G HA2 0.557 4.573 3.960 0.093 0.000 0.299 201 G HA3 0.557 4.487 3.960 -0.050 0.000 0.299 201 G C -1.597 173.200 174.900 -0.173 0.000 1.315 201 G CA -2.017 43.087 45.100 0.006 0.000 1.045 201 G HN -0.355 8.220 8.290 0.049 -0.256 0.517 202 P HA -0.222 3.800 4.420 -0.663 0.000 0.216 202 P C 1.379 178.562 177.300 -0.194 0.000 1.150 202 P CA 2.403 65.155 63.100 -0.580 0.000 0.837 202 P CB 0.134 31.435 31.700 -0.665 0.000 0.786 203 L N -4.965 116.173 121.223 -0.142 0.000 2.275 203 L HA -0.082 4.220 4.340 -0.062 0.000 0.215 203 L C 1.463 178.309 176.870 -0.040 0.000 1.119 203 L CA 1.767 56.564 54.840 -0.071 0.000 0.790 203 L CB -0.490 41.535 42.059 -0.057 0.000 0.919 203 L HN -0.010 8.126 8.230 -0.157 0.000 0.443 204 Q N -4.306 115.473 119.800 -0.035 0.000 2.319 204 Q HA 0.064 4.393 4.340 -0.018 0.000 0.202 204 Q C -0.635 175.350 176.000 -0.026 0.000 0.896 204 Q CA -0.673 55.120 55.803 -0.018 0.000 0.942 204 Q CB -0.066 28.670 28.738 -0.004 0.000 1.083 204 Q HN -0.569 7.536 8.270 -0.044 0.138 0.510 205 A N -0.594 122.212 122.820 -0.023 0.000 2.483 205 A HA -0.160 4.060 4.320 -0.167 0.000 0.238 205 A C -0.053 177.447 177.584 -0.140 0.000 1.070 205 A CA 0.499 52.468 52.037 -0.114 0.000 0.770 205 A CB 0.385 19.378 19.000 -0.011 0.000 1.008 205 A HN -0.847 7.142 8.150 -0.011 0.155 0.497 206 A N 1.324 123.979 122.820 -0.274 0.000 2.275 206 A HA 0.340 4.628 4.320 -0.053 0.000 0.212 206 A C 0.056 177.629 177.584 -0.018 0.000 1.201 206 A CA -0.094 51.868 52.037 -0.126 0.000 0.843 206 A CB 0.587 19.527 19.000 -0.101 0.000 0.873 206 A HN 0.041 7.933 8.150 -0.430 0.000 0.492 207 F N -1.024 119.005 119.950 0.132 0.000 2.545 207 F HA -0.104 4.710 4.527 0.146 -0.200 0.348 207 F C 0.466 176.327 175.800 0.101 0.000 1.163 207 F CA -0.143 57.939 58.000 0.137 0.000 1.331 207 F CB 0.234 39.333 39.000 0.165 0.000 1.138 207 F HN -0.821 7.215 8.300 -0.355 0.051 0.602 208 T N -3.098 111.637 114.554 0.302 0.000 2.949 208 T HA 0.266 4.712 4.350 0.161 0.000 0.287 208 T C 0.560 175.348 174.700 0.147 0.000 1.034 208 T CA -2.081 60.126 62.100 0.179 0.000 1.018 208 T CB 2.524 71.468 68.868 0.127 0.000 1.135 208 T HN -0.088 8.579 8.240 0.319 -0.235 0.532 209 T N 1.836 116.446 114.554 0.093 0.000 2.809 209 T HA -0.112 4.382 4.350 0.071 -0.102 0.260 209 T C 2.144 176.877 174.700 0.054 0.000 1.039 209 T CA 3.493 65.632 62.100 0.065 0.000 1.141 209 T CB -0.127 68.763 68.868 0.036 0.000 0.869 209 T HN 0.240 8.527 8.240 0.079 0.000 0.437 210 L N 0.313 121.564 121.223 0.047 0.000 2.043 210 L HA -0.288 4.073 4.340 0.036 0.000 0.212 210 L C 1.033 177.945 176.870 0.070 0.000 1.075 210 L CA 3.449 58.315 54.840 0.042 0.000 0.752 210 L CB -0.405 41.666 42.059 0.020 0.000 0.891 210 L HN -0.202 8.054 8.230 0.044 0.000 0.432 211 E N -3.513 116.740 120.200 0.089 0.000 2.153 211 E HA -0.299 4.319 4.350 0.149 -0.179 0.194 211 E C 1.866 178.528 176.600 0.104 0.000 0.988 211 E CA 3.159 59.635 56.400 0.126 0.000 0.811 211 E CB -0.834 28.963 29.700 0.162 0.000 0.746 211 E HN 0.404 8.809 8.360 0.087 0.007 0.466 212 L N -3.096 118.175 121.223 0.079 0.000 2.131 212 L HA -0.298 4.068 4.340 0.042 0.000 0.206 212 L C 2.208 179.185 176.870 0.178 0.000 1.087 212 L CA 2.620 57.507 54.840 0.078 0.000 0.767 212 L CB -0.283 41.798 42.059 0.037 0.000 0.917 212 L HN -0.811 7.376 8.230 0.081 0.092 0.441 213 R N -0.912 119.657 120.500 0.115 0.000 2.096 213 R HA -0.284 4.121 4.340 0.109 0.000 0.235 213 R C 2.524 178.916 176.300 0.153 0.000 1.127 213 R CA 3.325 59.492 56.100 0.111 0.000 0.968 213 R CB 0.047 30.372 30.300 0.042 0.000 0.861 213 R HN -0.088 8.154 8.270 0.080 0.076 0.440 214 E N -1.201 119.075 120.200 0.127 0.000 2.418 214 E HA -0.110 4.463 4.350 0.102 -0.162 0.197 214 E C 2.060 178.726 176.600 0.110 0.000 1.026 214 E CA 1.777 58.246 56.400 0.115 0.000 0.862 214 E CB -0.727 29.045 29.700 0.120 0.000 0.799 214 E HN -0.310 8.122 8.360 0.119 0.000 0.518 215 L N 0.315 121.613 121.223 0.124 0.000 2.131 215 L HA -0.319 4.046 4.340 0.041 0.000 0.210 215 L C 2.062 178.960 176.870 0.047 0.000 1.092 215 L CA 2.346 57.222 54.840 0.060 0.000 0.759 215 L CB -0.590 41.472 42.059 0.006 0.000 0.903 215 L HN -0.760 7.524 8.230 0.153 0.038 0.435 216 A N -3.861 119.047 122.820 0.146 0.000 2.168 216 A HA -0.209 4.179 4.320 0.114 0.000 0.215 216 A C 0.257 177.901 177.584 0.100 0.000 1.152 216 A CA 1.586 53.720 52.037 0.161 0.000 0.716 216 A CB -0.488 18.694 19.000 0.303 0.000 0.794 216 A HN -0.527 7.748 8.150 0.237 0.017 0.465 217 D N -3.257 117.189 120.400 0.077 0.000 2.340 217 D HA 0.023 4.696 4.640 0.054 0.000 0.220 217 D C -0.501 175.815 176.300 0.027 0.000 1.039 217 D CA 0.225 54.256 54.000 0.052 0.000 0.866 217 D CB 0.292 41.121 40.800 0.049 0.000 0.913 217 D HN -0.514 7.744 8.370 0.081 0.161 0.523 218 L N 1.937 123.170 121.223 0.016 0.000 2.325 218 L HA -0.060 4.270 4.340 -0.017 0.000 0.284 218 L C -0.661 176.193 176.870 -0.027 0.000 1.089 218 L CA -0.028 54.804 54.840 -0.012 0.000 0.836 218 L CB -0.157 41.887 42.059 -0.025 0.000 1.184 218 L HN -0.958 7.233 8.230 0.023 0.053 0.444 219 D N 5.259 125.636 120.400 -0.039 0.000 2.443 219 D HA -0.120 4.490 4.640 -0.050 0.000 0.239 219 D C 1.073 177.279 176.300 -0.157 0.000 1.136 219 D CA 1.471 55.429 54.000 -0.070 0.000 0.879 219 D CB 1.020 41.788 40.800 -0.054 0.000 1.195 219 D HN 0.151 8.501 8.370 -0.033 0.000 0.443 220 G N 1.306 109.908 108.800 -0.330 0.000 2.162 220 G HA2 -0.341 2.953 3.960 -1.111 0.000 0.260 220 G HA3 -0.341 3.384 3.960 -0.392 0.000 0.260 220 G C -1.425 173.203 174.900 -0.454 0.000 0.976 220 G CA 0.686 45.424 45.100 -0.603 0.000 0.655 220 G HN 0.408 8.499 8.290 -0.333 0.000 0.533 221 V N -0.639 119.158 119.914 -0.195 0.000 2.656 221 V HA 0.456 4.734 4.120 -0.021 -0.170 0.307 221 V C -1.614 174.537 176.094 0.096 0.000 1.051 221 V CA -1.746 60.536 62.300 -0.030 0.000 0.893 221 V CB 2.236 34.034 31.823 -0.042 0.000 0.999 221 V HN -0.802 7.250 8.190 -0.148 0.049 0.426 222 D N 6.463 126.930 120.400 0.112 0.000 2.192 222 D HA 0.312 5.005 4.640 0.088 0.000 0.246 222 D C -1.271 175.025 176.300 -0.008 0.000 1.042 222 D CA -1.313 52.734 54.000 0.078 0.000 0.847 222 D CB 2.718 43.566 40.800 0.081 0.000 1.186 222 D HN 0.312 8.741 8.370 0.098 0.000 0.461 223 V N 3.144 123.006 119.914 -0.086 0.000 2.432 223 V HA 0.288 4.530 4.120 -0.085 -0.174 0.271 223 V C -0.405 175.665 176.094 -0.041 0.000 1.046 223 V CA -0.395 61.806 62.300 -0.166 0.000 0.945 223 V CB 0.320 31.746 31.823 -0.661 0.000 0.992 223 V HN 0.366 8.498 8.190 -0.096 0.000 0.471 224 V N 9.076 129.023 119.914 0.056 0.000 2.409 224 V HA 0.219 4.388 4.120 0.082 0.000 0.291 224 V C -1.879 174.315 176.094 0.167 0.000 1.020 224 V CA -1.336 61.019 62.300 0.091 0.000 0.848 224 V CB 1.529 33.388 31.823 0.060 0.000 0.990 224 V HN 0.752 8.990 8.190 0.080 0.000 0.430 225 I N 5.303 125.972 120.570 0.164 0.000 2.512 225 I HA 0.213 4.521 4.170 0.230 0.000 0.287 225 I C -1.466 174.741 176.117 0.149 0.000 1.069 225 I CA -1.164 60.256 61.300 0.200 0.000 1.056 225 I CB 3.495 41.627 38.000 0.220 0.000 1.229 225 I HN 0.336 8.631 8.210 0.142 0.000 0.429 226 D N 8.139 128.624 120.400 0.142 0.000 2.458 226 D HA 0.109 4.802 4.640 0.088 0.000 0.243 226 D C -0.339 176.023 176.300 0.103 0.000 1.146 226 D CA -1.353 52.711 54.000 0.106 0.000 0.877 226 D CB 1.573 42.432 40.800 0.099 0.000 1.176 226 D HN 0.623 9.086 8.370 0.155 0.000 0.461 227 P HA -0.174 4.281 4.420 0.059 0.000 0.218 227 P C 0.510 177.841 177.300 0.052 0.000 1.146 227 P CA 1.706 64.840 63.100 0.058 0.000 0.813 227 P CB 0.113 31.838 31.700 0.041 0.000 0.778 228 A N -2.330 120.524 122.820 0.058 0.000 2.070 228 A HA -0.154 4.315 4.320 0.039 -0.125 0.220 228 A C 2.394 180.016 177.584 0.063 0.000 1.159 228 A CA 2.245 54.314 52.037 0.052 0.000 0.656 228 A CB -0.714 18.318 19.000 0.054 0.000 0.800 228 A HN -0.092 8.395 8.150 0.062 -0.300 0.453 229 E N -1.781 118.478 120.200 0.098 0.000 2.333 229 E HA -0.170 4.265 4.350 0.142 0.000 0.198 229 E C 0.937 177.544 176.600 0.012 0.000 1.007 229 E CA 1.999 58.475 56.400 0.126 0.000 0.845 229 E CB -0.156 29.712 29.700 0.279 0.000 0.766 229 E HN -0.205 8.087 8.360 0.112 0.135 0.507 230 L N -2.612 118.612 121.223 0.002 0.000 2.728 230 L HA 0.156 4.444 4.340 -0.088 0.000 0.238 230 L C -1.056 175.797 176.870 -0.027 0.000 1.143 230 L CA -1.020 53.794 54.840 -0.043 0.000 0.937 230 L CB 0.650 42.689 42.059 -0.034 0.000 1.225 230 L HN -0.607 7.488 8.230 0.025 0.150 0.507 231 D N -0.473 119.923 120.400 -0.007 0.000 2.341 231 D HA -0.100 4.535 4.640 -0.009 0.000 0.245 231 D C 1.144 177.437 176.300 -0.012 0.000 1.106 231 D CA 0.528 54.524 54.000 -0.005 0.000 0.905 231 D CB 0.071 40.875 40.800 0.006 0.000 1.202 231 D HN -0.722 7.546 8.370 0.005 0.105 0.426 232 G N 0.937 109.730 108.800 -0.012 0.000 2.176 232 G HA2 -0.280 3.674 3.960 -0.010 0.000 0.253 232 G HA3 -0.280 3.673 3.960 -0.012 0.000 0.253 232 G C -0.474 174.412 174.900 -0.022 0.000 0.979 232 G CA 0.069 45.161 45.100 -0.014 0.000 0.641 232 G HN 0.228 8.512 8.290 -0.010 0.000 0.530 233 I N 2.098 122.650 120.570 -0.030 0.000 2.382 233 I HA 0.277 4.576 4.170 -0.036 -0.151 0.286 233 I C -0.718 175.379 176.117 -0.033 0.000 1.002 233 I CA -1.193 60.084 61.300 -0.039 0.000 1.135 233 I CB 0.903 38.866 38.000 -0.061 0.000 1.288 233 I HN -0.576 7.560 8.210 -0.029 0.056 0.448 234 T N 5.379 119.917 114.554 -0.027 0.000 2.936 234 T HA 0.315 4.651 4.350 -0.023 0.000 0.282 234 T C 0.247 174.932 174.700 -0.025 0.000 1.003 234 T CA -2.245 59.841 62.100 -0.023 0.000 1.005 234 T CB 1.969 70.826 68.868 -0.018 0.000 1.097 234 T HN 0.210 8.739 8.240 -0.026 -0.305 0.532 235 D N 0.724 121.110 120.400 -0.023 0.000 2.178 235 D HA -0.283 4.342 4.640 -0.026 0.000 0.202 235 D C 2.109 178.397 176.300 -0.020 0.000 0.974 235 D CA 4.010 57.996 54.000 -0.023 0.000 0.841 235 D CB -0.377 40.410 40.800 -0.021 0.000 0.953 235 D HN 0.419 8.776 8.370 -0.021 0.000 0.478 236 E N -0.174 120.016 120.200 -0.017 0.000 2.072 236 E HA -0.312 4.030 4.350 -0.013 0.000 0.191 236 E C 1.941 178.531 176.600 -0.016 0.000 0.985 236 E CA 3.001 59.392 56.400 -0.015 0.000 0.801 236 E CB -0.113 29.579 29.700 -0.012 0.000 0.750 236 E HN 0.200 8.538 8.360 -0.017 0.012 0.452 237 D N -0.376 120.013 120.400 -0.018 0.000 2.123 237 D HA -0.304 4.326 4.640 -0.017 0.000 0.196 237 D C 2.229 178.516 176.300 -0.022 0.000 0.992 237 D CA 2.976 56.964 54.000 -0.020 0.000 0.833 237 D CB -0.509 40.276 40.800 -0.025 0.000 0.954 237 D HN -0.413 7.945 8.370 -0.019 0.000 0.455 238 A N -0.692 122.113 122.820 -0.025 0.000 1.873 238 A HA -0.209 4.095 4.320 -0.027 0.000 0.215 238 A C 1.629 179.202 177.584 -0.017 0.000 1.186 238 A CA 2.816 54.838 52.037 -0.025 0.000 0.616 238 A CB -0.386 18.596 19.000 -0.029 0.000 0.823 238 A HN -0.558 7.576 8.150 -0.026 0.000 0.442 239 A N -2.500 120.311 122.820 -0.015 0.000 2.019 239 A HA -0.247 4.067 4.320 -0.010 0.000 0.219 239 A C 1.202 178.781 177.584 -0.009 0.000 1.164 239 A CA 2.304 54.334 52.037 -0.011 0.000 0.644 239 A CB -0.305 18.688 19.000 -0.011 0.000 0.805 239 A HN -0.183 7.957 8.150 -0.017 0.000 0.449 240 A N -3.034 119.779 122.820 -0.011 0.000 2.015 240 A HA -0.205 4.110 4.320 -0.008 0.000 0.219 240 A C 1.421 179.000 177.584 -0.008 0.000 1.163 240 A CA 2.276 54.307 52.037 -0.009 0.000 0.646 240 A CB -0.433 18.561 19.000 -0.010 0.000 0.806 240 A HN -0.492 7.632 8.150 -0.012 0.019 0.448 241 V N -2.827 117.081 119.914 -0.009 0.000 2.346 241 V HA -0.123 3.993 4.120 -0.007 0.000 0.244 241 V C 0.854 176.946 176.094 -0.003 0.000 1.037 241 V CA 1.730 64.025 62.300 -0.008 0.000 1.029 241 V CB 0.602 32.419 31.823 -0.010 0.000 0.663 241 V HN -0.561 7.502 8.190 -0.011 0.120 0.454 242 G N -4.133 104.665 108.800 -0.003 0.000 2.337 242 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.298 242 G HA3 -0.069 3.893 3.960 0.003 0.000 0.298 242 G C -1.560 173.341 174.900 0.001 0.000 1.335 242 G CA -0.199 44.901 45.100 0.001 0.000 0.875 242 G HN -0.866 7.421 8.290 -0.005 0.000 0.579 243 K N 0.236 120.638 120.400 0.003 0.000 2.057 243 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 243 K C 1.908 178.513 176.600 0.007 0.000 1.050 243 K CA 2.702 58.991 56.287 0.003 0.000 0.935 243 K CB 0.159 32.661 32.500 0.003 0.000 0.715 243 K HN 0.155 8.408 8.250 0.004 0.000 0.439 244 V N -0.531 119.392 119.914 0.015 0.000 2.358 244 V HA -0.327 3.808 4.120 0.025 0.000 0.246 244 V C 2.071 178.181 176.094 0.026 0.000 1.047 244 V CA 3.578 65.894 62.300 0.026 0.000 1.035 244 V CB -0.889 30.957 31.823 0.038 0.000 0.658 244 V HN -0.160 8.039 8.190 0.016 0.000 0.452 245 C N 0.955 120.266 119.300 0.019 0.000 2.413 245 C HA -0.469 4.005 4.460 0.024 0.000 0.276 245 C C 1.466 176.456 174.990 -0.000 0.000 1.236 245 C CA 3.230 62.256 59.018 0.013 0.000 1.735 245 C CB -1.974 25.767 27.740 0.002 0.000 2.031 245 C HN 0.121 8.361 8.230 0.016 0.000 0.474 246 K N -0.255 120.142 120.400 -0.005 0.000 2.044 246 K HA -0.518 3.791 4.320 -0.018 0.000 0.210 246 K C 2.361 178.952 176.600 -0.016 0.000 1.049 246 K CA 3.697 59.977 56.287 -0.013 0.000 0.927 246 K CB -0.291 32.203 32.500 -0.011 0.000 0.713 246 K HN -0.336 7.913 8.250 -0.003 0.000 0.443 247 Q N -2.339 117.455 119.800 -0.009 0.000 2.123 247 Q HA -0.251 4.075 4.340 -0.023 0.000 0.199 247 Q C 2.837 178.827 176.000 -0.017 0.000 0.966 247 Q CA 2.372 58.166 55.803 -0.014 0.000 0.845 247 Q CB -0.541 28.194 28.738 -0.006 0.000 0.907 247 Q HN -0.556 7.712 8.270 -0.002 0.000 0.439 248 N N 1.170 119.873 118.700 0.005 0.000 2.069 248 N HA -0.278 4.473 4.740 0.018 0.000 0.191 248 N C 2.397 177.896 175.510 -0.019 0.000 1.031 248 N CA 3.085 56.145 53.050 0.017 0.000 0.852 248 N CB -0.448 38.080 38.487 0.068 0.000 1.018 248 N HN 0.043 8.432 8.380 0.015 0.000 0.423 249 I N -0.302 120.250 120.570 -0.029 0.000 2.286 249 I HA -0.429 3.704 4.170 -0.060 0.000 0.248 249 I C 1.601 177.679 176.117 -0.064 0.000 1.115 249 I CA 2.511 63.779 61.300 -0.052 0.000 1.392 249 I CB -1.187 36.782 38.000 -0.052 0.000 1.065 249 I HN 0.221 8.418 8.210 -0.022 0.000 0.418 250 K N -0.158 120.204 120.400 -0.063 0.000 2.057 250 K HA -0.353 3.924 4.320 -0.072 0.000 0.207 250 K C 2.683 179.208 176.600 -0.126 0.000 1.049 250 K CA 3.916 60.157 56.287 -0.078 0.000 0.931 250 K CB -0.236 32.225 32.500 -0.065 0.000 0.714 250 K HN -0.778 7.441 8.250 -0.052 0.000 0.440 251 V N -0.074 119.753 119.914 -0.146 0.000 2.358 251 V HA -0.390 3.531 4.120 -0.332 0.000 0.246 251 V C 2.011 177.904 176.094 -0.335 0.000 1.047 251 V CA 4.069 66.205 62.300 -0.273 0.000 1.035 251 V CB -0.481 31.216 31.823 -0.210 0.000 0.658 251 V HN -0.561 7.563 8.190 -0.109 0.000 0.452 252 L N -1.418 119.716 121.223 -0.149 0.000 2.083 252 L HA -0.440 3.916 4.340 0.027 0.000 0.209 252 L C 2.262 179.109 176.870 -0.038 0.000 1.083 252 L CA 3.303 58.111 54.840 -0.052 0.000 0.752 252 L CB -0.812 41.225 42.059 -0.038 0.000 0.899 252 L HN -0.079 8.086 8.230 -0.108 0.000 0.433 253 R N -1.443 119.016 120.500 -0.069 0.000 2.091 253 R HA -0.389 3.939 4.340 -0.019 0.000 0.238 253 R C 2.622 178.890 176.300 -0.053 0.000 1.136 253 R CA 3.715 59.788 56.100 -0.046 0.000 0.959 253 R CB -0.410 29.859 30.300 -0.052 0.000 0.856 253 R HN 0.256 8.477 8.270 -0.082 0.000 0.437 254 G N -1.927 106.793 108.800 -0.133 0.000 2.446 254 G HA2 -0.244 3.658 3.960 -0.096 0.000 0.217 254 G HA3 -0.244 3.566 3.960 -0.250 0.000 0.217 254 G C 2.253 177.108 174.900 -0.074 0.000 1.168 254 G CA 1.964 46.970 45.100 -0.156 0.000 0.771 254 G HN -0.321 7.864 8.290 -0.175 0.000 0.551 255 Y N 1.804 122.094 120.300 -0.017 0.000 2.242 255 Y HA -0.290 4.264 4.550 0.007 0.000 0.291 255 Y C 2.554 178.463 175.900 0.015 0.000 1.137 255 Y CA 1.275 59.374 58.100 -0.002 0.000 1.181 255 Y CB -0.932 37.515 38.460 -0.022 0.000 0.989 255 Y HN -0.553 7.599 8.280 -0.213 0.000 0.527 256 A N -1.156 121.760 122.820 0.161 0.000 2.067 256 A HA -0.139 4.456 4.320 0.125 -0.199 0.219 256 A C 0.794 178.423 177.584 0.076 0.000 1.158 256 A CA 1.774 53.876 52.037 0.110 0.000 0.661 256 A CB -0.375 18.673 19.000 0.080 0.000 0.801 256 A HN -0.438 7.790 8.150 0.130 0.000 0.452 257 D N -3.336 117.099 120.400 0.059 0.000 2.355 257 D HA -0.049 4.611 4.640 0.034 0.000 0.218 257 D C -0.187 176.141 176.300 0.046 0.000 1.004 257 D CA 0.476 54.500 54.000 0.039 0.000 0.880 257 D CB 0.556 41.366 40.800 0.017 0.000 0.911 257 D HN -0.571 7.699 8.370 0.055 0.134 0.528 258 R N -0.377 120.166 120.500 0.072 0.000 2.312 258 R HA 0.081 4.451 4.340 0.049 0.000 0.311 258 R C -0.821 175.511 176.300 0.052 0.000 1.004 258 R CA -0.443 55.697 56.100 0.067 0.000 0.902 258 R CB 0.839 31.202 30.300 0.106 0.000 1.073 258 R HN -0.763 7.407 8.270 0.095 0.157 0.457 259 E N 4.529 124.747 120.200 0.030 0.000 2.259 259 E HA 0.170 4.534 4.350 0.023 0.000 0.281 259 E C -1.192 175.410 176.600 0.004 0.000 1.037 259 E CA -2.098 54.312 56.400 0.016 0.000 0.854 259 E CB 0.350 30.053 29.700 0.005 0.000 1.051 259 E HN 0.081 8.456 8.360 0.024 0.000 0.409 260 P HA 0.080 4.496 4.420 -0.008 0.000 0.269 260 P C -1.214 176.055 177.300 -0.050 0.000 1.215 260 P CA -0.021 63.073 63.100 -0.011 0.000 0.780 260 P CB 1.025 32.730 31.700 0.008 0.000 0.898 261 R N 1.936 122.369 120.500 -0.112 0.000 2.215 261 R HA 0.437 4.704 4.340 -0.122 0.000 0.337 261 R C -0.787 175.456 176.300 -0.095 0.000 1.010 261 R CA -2.275 53.723 56.100 -0.171 0.000 0.871 261 R CB -0.377 29.672 30.300 -0.420 0.000 1.134 261 R HN 0.216 8.780 8.270 -0.123 -0.368 0.477 262 P HA -0.214 4.210 4.420 0.007 0.000 0.219 262 P C 0.410 177.728 177.300 0.029 0.000 1.149 262 P CA 1.421 64.520 63.100 -0.002 0.000 0.835 262 P CB 0.156 31.854 31.700 -0.003 0.000 0.778 263 G N -4.853 103.973 108.800 0.043 0.000 3.088 263 G HA2 -0.047 3.963 3.960 0.083 0.000 0.212 263 G HA3 -0.047 3.984 3.960 0.118 0.000 0.212 263 G C -0.466 174.582 174.900 0.247 0.000 1.173 263 G CA -0.342 44.827 45.100 0.116 0.000 0.779 263 G HN -0.196 8.070 8.290 0.005 0.027 0.540 264 H N -0.259 118.811 119.070 0.000 0.000 2.533 264 H HA 0.132 4.755 4.556 -0.002 -0.068 0.343 264 H C -0.664 174.660 175.328 -0.007 0.000 1.160 264 H CA -0.859 55.187 56.048 -0.002 0.000 1.218 264 H CB 2.534 32.295 29.762 -0.001 0.000 1.566 264 H HN -0.520 7.822 8.280 0.220 0.069 0.522 265 R N -0.237 120.295 120.500 0.053 0.000 2.774 265 R HA 0.005 4.455 4.340 0.020 -0.099 0.269 265 R C -0.479 175.838 176.300 0.028 0.000 1.068 265 R CA 0.989 57.099 56.100 0.017 0.000 1.180 265 R CB 1.107 31.394 30.300 -0.022 0.000 1.077 265 R HN 0.179 8.439 8.270 -0.015 0.000 0.513 266 R N -1.505 118.995 120.500 0.001 0.000 2.561 266 R HA 0.652 5.160 4.340 0.008 -0.163 0.297 266 R C -1.510 174.762 176.300 -0.047 0.000 0.969 266 R CA -1.140 54.955 56.100 -0.007 0.000 0.879 266 R CB 3.373 33.670 30.300 -0.004 0.000 1.178 266 R HN 0.249 8.513 8.270 -0.010 0.000 0.445 267 M N 6.258 125.822 119.600 -0.060 0.000 2.036 267 M HA 0.472 5.009 4.480 -0.158 -0.152 0.337 267 M C -2.479 173.746 176.300 -0.125 0.000 1.012 267 M CA -0.782 54.441 55.300 -0.128 0.000 0.962 267 M CB 2.381 34.906 32.600 -0.126 0.000 1.423 267 M HN 0.626 8.892 8.290 -0.040 0.000 0.405 268 V N 7.040 126.848 119.914 -0.176 0.000 2.427 268 V HA 0.551 4.885 4.120 0.024 -0.200 0.286 268 V C -1.486 174.473 176.094 -0.224 0.000 1.034 268 V CA -1.292 60.955 62.300 -0.089 0.000 0.893 268 V CB 1.349 33.134 31.823 -0.062 0.000 0.982 268 V HN 0.845 8.911 8.190 -0.206 0.000 0.452 269 F N 7.516 127.415 119.950 -0.085 0.000 2.404 269 F HA 0.405 4.937 4.527 -0.239 -0.148 0.354 269 F C -0.844 174.833 175.800 -0.205 0.000 1.122 269 F CA -0.782 57.105 58.000 -0.190 0.000 1.080 269 F CB 1.640 40.557 39.000 -0.139 0.000 1.131 269 F HN 0.251 8.754 8.300 0.338 0.000 0.471 270 R N 1.400 121.792 120.500 -0.180 0.000 2.393 270 R HA 0.352 4.712 4.340 0.034 0.000 0.315 270 R C -1.766 174.387 176.300 -0.246 0.000 0.952 270 R CA -1.808 54.233 56.100 -0.099 0.000 0.842 270 R CB 1.958 32.229 30.300 -0.050 0.000 1.163 270 R HN 0.533 8.649 8.270 -0.256 0.000 0.450 271 F N 0.995 121.023 119.950 0.130 0.000 2.518 271 F HA 0.362 5.083 4.527 0.116 -0.124 0.338 271 F C 0.857 176.698 175.800 0.069 0.000 1.065 271 F CA -1.172 56.893 58.000 0.109 0.000 1.012 271 F CB 2.817 41.884 39.000 0.112 0.000 1.297 271 F HN -0.035 8.788 8.300 0.338 -0.320 0.489 272 L N -2.663 118.720 121.223 0.266 0.000 3.678 272 L HA -0.344 4.284 4.340 0.125 -0.213 0.425 272 L C -1.039 175.888 176.870 0.096 0.000 1.240 272 L CA 0.838 55.766 54.840 0.146 0.000 0.876 272 L CB -2.652 39.481 42.059 0.124 0.000 1.766 272 L HN 0.309 8.726 8.230 0.311 0.000 0.917 273 T N 0.262 114.862 114.554 0.077 0.000 2.952 273 T HA 0.735 5.327 4.350 0.039 -0.218 0.305 273 T C -0.847 173.867 174.700 0.025 0.000 1.064 273 T CA -0.382 61.742 62.100 0.041 0.000 1.008 273 T CB 3.632 72.516 68.868 0.027 0.000 1.078 273 T HN -0.252 8.039 8.240 0.085 0.000 0.459 274 S N 4.043 119.753 115.700 0.017 0.000 2.536 274 S HA 0.514 4.988 4.470 0.007 0.000 0.298 274 S C -2.367 172.233 174.600 -0.000 0.000 1.083 274 S CA -3.044 55.161 58.200 0.008 0.000 0.995 274 S CB 1.893 65.100 63.200 0.011 0.000 1.058 274 S HN 0.505 8.826 8.310 0.017 0.000 0.488 275 P HA 0.124 4.659 4.420 -0.012 -0.121 0.282 275 P C -1.394 175.902 177.300 -0.007 0.000 1.262 275 P CA 0.164 63.258 63.100 -0.010 0.000 0.773 275 P CB 0.657 32.347 31.700 -0.016 0.000 0.879 276 I N 3.080 123.646 120.570 -0.007 0.000 3.039 276 I HA 0.205 4.373 4.170 -0.003 0.000 0.270 276 I C -0.405 175.708 176.117 -0.007 0.000 1.150 276 I CA 0.249 61.546 61.300 -0.005 0.000 1.448 276 I CB 1.057 39.056 38.000 -0.003 0.000 1.197 276 I HN 0.580 8.786 8.210 -0.008 0.000 0.450 277 E N -3.056 117.139 120.200 -0.010 0.000 2.380 277 E HA 0.224 4.696 4.350 -0.011 -0.129 0.281 277 E C -2.416 174.175 176.600 -0.015 0.000 0.999 277 E CA -1.126 55.267 56.400 -0.011 0.000 0.800 277 E CB 3.622 33.317 29.700 -0.009 0.000 1.228 277 E HN -0.927 7.426 8.360 -0.011 0.000 0.436 278 I N 4.060 124.620 120.570 -0.017 0.000 2.404 278 I HA 0.387 4.544 4.170 -0.022 0.000 0.293 278 I C -1.051 175.055 176.117 -0.019 0.000 0.992 278 I CA -0.801 60.486 61.300 -0.021 0.000 1.149 278 I CB 1.934 39.919 38.000 -0.025 0.000 1.315 278 I HN 0.596 8.797 8.210 -0.016 0.000 0.446 279 K N 6.708 127.097 120.400 -0.019 0.000 2.328 279 K HA 0.416 4.727 4.320 -0.016 0.000 0.246 279 K C -1.510 175.079 176.600 -0.018 0.000 0.955 279 K CA -1.360 54.917 56.287 -0.017 0.000 0.817 279 K CB 3.723 36.214 32.500 -0.014 0.000 1.208 279 K HN 0.597 8.835 8.250 -0.021 0.000 0.432 280 G N -1.483 107.307 108.800 -0.016 0.000 2.358 280 G HA2 -0.078 3.873 3.960 -0.015 0.000 0.303 280 G HA3 -0.078 4.105 3.960 -0.019 -0.234 0.303 280 G C -2.455 172.436 174.900 -0.015 0.000 1.537 280 G CA -0.083 45.007 45.100 -0.017 0.000 0.928 280 G HN -0.067 8.214 8.290 -0.015 0.000 0.656 281 K N 1.738 122.130 120.400 -0.014 0.000 2.264 281 K HA 0.129 4.442 4.320 -0.012 0.000 0.277 281 K C 0.399 176.990 176.600 -0.014 0.000 1.067 281 K CA -1.066 55.214 56.287 -0.013 0.000 0.900 281 K CB -0.050 32.443 32.500 -0.011 0.000 1.124 281 K HN -0.094 8.441 8.250 -0.014 -0.294 0.469 282 R N 0.670 121.161 120.500 -0.015 0.000 3.621 282 R HA -0.328 4.003 4.340 -0.016 0.000 0.410 282 R C -1.330 174.958 176.300 -0.020 0.000 0.541 282 R CA 1.880 57.970 56.100 -0.016 0.000 1.518 282 R CB -0.969 29.322 30.300 -0.014 0.000 2.022 282 R HN 0.808 9.070 8.270 -0.014 0.000 0.356 283 K N -5.592 114.796 120.400 -0.021 0.000 2.615 283 K HA 0.263 4.674 4.320 -0.028 -0.108 0.291 283 K C -2.095 174.489 176.600 -0.027 0.000 1.017 283 K CA -1.651 54.620 56.287 -0.026 0.000 0.882 283 K CB 3.252 35.736 32.500 -0.027 0.000 1.522 283 K HN -0.892 7.263 8.250 -0.020 0.084 0.412 284 V N 0.797 120.692 119.914 -0.033 0.000 2.540 284 V HA -0.287 3.815 4.120 -0.031 0.000 0.297 284 V C 0.322 176.397 176.094 -0.031 0.000 1.024 284 V CA 2.255 64.535 62.300 -0.034 0.000 1.105 284 V CB -0.964 30.833 31.823 -0.043 0.000 0.938 284 V HN 0.154 8.322 8.190 -0.037 0.000 0.482 285 E N 5.903 126.087 120.200 -0.027 0.000 2.467 285 E HA 0.303 4.673 4.350 -0.024 -0.034 0.213 285 E C -0.733 175.853 176.600 -0.023 0.000 0.823 285 E CA 0.317 56.703 56.400 -0.023 0.000 1.233 285 E CB 3.381 33.070 29.700 -0.019 0.000 1.233 285 E HN 0.638 8.982 8.360 -0.025 0.000 0.585 286 R N -4.136 116.350 120.500 -0.024 0.000 2.716 286 R HA 0.603 5.128 4.340 -0.025 -0.200 0.271 286 R C -3.043 173.243 176.300 -0.024 0.000 1.028 286 R CA -0.953 55.134 56.100 -0.023 0.000 0.883 286 R CB 3.864 34.153 30.300 -0.018 0.000 1.250 286 R HN -0.329 7.926 8.270 -0.024 0.000 0.465 287 I N 0.257 120.813 120.570 -0.024 0.000 2.545 287 I HA 0.607 4.896 4.170 -0.022 -0.133 0.292 287 I C -2.761 173.346 176.117 -0.018 0.000 1.040 287 I CA -2.484 58.802 61.300 -0.023 0.000 1.068 287 I CB 4.512 42.494 38.000 -0.030 0.000 1.251 287 I HN 0.526 8.722 8.210 -0.024 0.000 0.424 288 V N 7.928 127.834 119.914 -0.015 0.000 2.432 288 V HA 0.431 4.725 4.120 -0.009 -0.180 0.275 288 V C -1.223 174.866 176.094 -0.009 0.000 1.043 288 V CA -0.960 61.334 62.300 -0.010 0.000 0.925 288 V CB -0.002 31.817 31.823 -0.008 0.000 0.985 288 V HN 0.453 8.634 8.190 -0.015 0.000 0.466 289 L N 6.638 127.857 121.223 -0.007 0.000 2.334 289 L HA 0.768 5.277 4.340 -0.005 -0.172 0.276 289 L C -0.762 176.110 176.870 0.003 0.000 1.014 289 L CA -1.829 53.008 54.840 -0.004 0.000 0.815 289 L CB 2.674 44.730 42.059 -0.005 0.000 1.268 289 L HN 0.696 8.923 8.230 -0.006 0.000 0.428 290 G N -0.018 108.786 108.800 0.006 0.000 2.452 290 G HA2 0.605 4.800 3.960 0.010 0.000 0.324 290 G HA3 0.605 4.571 3.960 0.010 0.000 0.324 290 G C -2.722 172.189 174.900 0.018 0.000 1.214 290 G CA -1.453 43.654 45.100 0.011 0.000 0.947 290 G HN 0.582 8.875 8.290 0.006 0.000 0.478 291 R N 2.243 122.756 120.500 0.021 0.000 2.357 291 R HA 0.507 5.029 4.340 0.036 -0.160 0.296 291 R C -1.097 175.221 176.300 0.030 0.000 1.052 291 R CA -0.854 55.264 56.100 0.030 0.000 0.988 291 R CB 1.863 32.181 30.300 0.030 0.000 1.025 291 R HN -0.341 7.940 8.270 0.019 0.000 0.469 292 N N 5.298 124.021 118.700 0.038 0.000 2.404 292 N HA 0.627 5.553 4.740 0.028 -0.169 0.297 292 N C -0.503 175.028 175.510 0.036 0.000 1.163 292 N CA -1.293 51.778 53.050 0.035 0.000 0.864 292 N CB 3.348 41.858 38.487 0.039 0.000 1.247 292 N HN 0.265 8.570 8.380 0.047 0.103 0.510 293 E N 0.053 120.270 120.200 0.028 0.000 2.263 293 E HA 0.340 4.708 4.350 0.029 0.000 0.264 293 E C -1.152 175.462 176.600 0.022 0.000 0.923 293 E CA -1.905 54.510 56.400 0.025 0.000 0.802 293 E CB 3.925 33.636 29.700 0.019 0.000 1.228 293 E HN 0.409 8.784 8.360 0.024 0.000 0.417 294 L N 2.380 123.614 121.223 0.019 0.000 2.292 294 L HA 0.639 5.187 4.340 0.015 -0.200 0.284 294 L C -0.340 176.535 176.870 0.009 0.000 1.065 294 L CA -0.644 54.204 54.840 0.014 0.000 0.806 294 L CB 0.945 43.011 42.059 0.010 0.000 1.175 294 L HN 0.386 8.627 8.230 0.018 0.000 0.431 295 V N 4.852 124.770 119.914 0.007 0.000 2.888 295 V HA 0.365 4.488 4.120 0.004 0.000 0.309 295 V C -1.571 174.525 176.094 0.003 0.000 1.114 295 V CA -2.428 59.875 62.300 0.005 0.000 0.940 295 V CB 4.440 36.266 31.823 0.005 0.000 1.021 295 V HN 0.610 8.804 8.190 0.008 0.000 0.426 296 S N 7.086 122.786 115.700 0.001 0.000 2.533 296 S HA 0.051 4.706 4.470 -0.001 -0.185 0.282 296 S C -0.176 174.424 174.600 0.000 0.000 1.304 296 S CA 0.959 59.159 58.200 -0.000 0.000 1.063 296 S CB 0.504 63.703 63.200 -0.001 0.000 0.881 296 S HN 0.373 8.684 8.310 0.001 0.000 0.493 297 D N 3.751 124.150 120.400 -0.001 0.000 2.349 297 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 297 D C 1.203 177.502 176.300 -0.002 0.000 1.063 297 D CA -0.705 53.295 54.000 -0.001 0.000 0.847 297 D CB -0.078 40.721 40.800 -0.001 0.000 0.933 297 D HN 0.017 8.386 8.370 -0.001 0.000 0.513 298 G N 0.085 108.884 108.800 -0.002 0.000 2.194 298 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.236 298 G HA3 -0.367 3.591 3.960 -0.002 0.000 0.236 298 G C 0.728 175.626 174.900 -0.003 0.000 0.987 298 G CA -0.017 45.081 45.100 -0.002 0.000 0.635 298 G HN 0.127 8.416 8.290 -0.002 0.000 0.520 299 S N 0.952 116.650 115.700 -0.004 0.000 2.548 299 S HA 0.003 4.471 4.470 -0.004 0.000 0.215 299 S C 1.262 175.859 174.600 -0.004 0.000 0.976 299 S CA 0.266 58.463 58.200 -0.004 0.000 0.908 299 S CB 1.014 64.211 63.200 -0.005 0.000 0.781 299 S HN -0.012 8.583 8.310 -0.003 -0.287 0.519 300 G N 1.196 109.994 108.800 -0.004 0.000 2.168 300 G HA2 -0.328 3.630 3.960 -0.004 0.000 0.197 300 G HA3 -0.328 3.629 3.960 -0.004 0.000 0.197 300 G C -1.097 173.800 174.900 -0.005 0.000 0.997 300 G CA -0.413 44.684 45.100 -0.004 0.000 0.658 300 G HN 0.488 8.729 8.290 -0.004 0.046 0.513 301 R N -1.548 118.949 120.500 -0.005 0.000 2.922 301 R HA 0.505 4.842 4.340 -0.005 0.000 0.256 301 R C -2.057 174.241 176.300 -0.004 0.000 1.138 301 R CA -1.505 54.592 56.100 -0.005 0.000 0.995 301 R CB 2.026 32.323 30.300 -0.006 0.000 1.226 301 R HN -0.485 7.782 8.270 -0.004 0.000 0.481 302 V N -3.447 116.465 119.914 -0.003 0.000 2.630 302 V HA 0.750 5.008 4.120 -0.000 -0.138 0.305 302 V C -1.920 174.175 176.094 0.001 0.000 1.046 302 V CA -2.468 59.832 62.300 -0.001 0.000 0.934 302 V CB 2.443 34.266 31.823 -0.001 0.000 1.003 302 V HN 0.118 8.305 8.190 -0.004 0.000 0.451 303 A N 3.640 126.462 122.820 0.004 0.000 2.354 303 A HA 0.381 4.705 4.320 0.006 0.000 0.321 303 A C -2.555 175.036 177.584 0.011 0.000 1.125 303 A CA -1.614 50.426 52.037 0.006 0.000 0.799 303 A CB 3.126 22.128 19.000 0.004 0.000 1.293 303 A HN 0.724 8.876 8.150 0.004 0.000 0.452 304 A N 0.270 123.098 122.820 0.014 0.000 2.366 304 A HA 0.450 4.944 4.320 0.023 -0.160 0.272 304 A C -0.541 177.052 177.584 0.015 0.000 1.135 304 A CA -0.664 51.385 52.037 0.020 0.000 0.804 304 A CB 0.814 19.829 19.000 0.026 0.000 1.064 304 A HN 0.214 8.372 8.150 0.014 0.000 0.499 305 K N 4.446 124.856 120.400 0.016 0.000 2.376 305 K HA 0.277 4.604 4.320 0.011 0.000 0.257 305 K C -1.324 175.285 176.600 0.015 0.000 0.939 305 K CA -1.414 54.880 56.287 0.013 0.000 0.809 305 K CB 3.261 35.767 32.500 0.011 0.000 1.121 305 K HN 0.431 8.692 8.250 0.018 0.000 0.425 306 D N 6.707 127.115 120.400 0.013 0.000 2.458 306 D HA -0.116 4.682 4.640 0.016 -0.148 0.243 306 D C 1.108 177.415 176.300 0.012 0.000 1.146 306 D CA 0.788 54.796 54.000 0.013 0.000 0.877 306 D CB 0.290 41.096 40.800 0.010 0.000 1.176 306 D HN 0.349 8.725 8.370 0.011 0.000 0.461 307 T N 4.740 119.303 114.554 0.014 0.000 3.067 307 T HA 0.074 4.431 4.350 0.012 0.000 0.257 307 T C 1.272 175.978 174.700 0.011 0.000 1.105 307 T CA -0.198 61.910 62.100 0.013 0.000 1.104 307 T CB 1.336 70.213 68.868 0.016 0.000 0.925 307 T HN 0.194 8.443 8.240 0.016 0.000 0.498 308 G N 1.803 110.609 108.800 0.010 0.000 2.217 308 G HA2 -0.394 3.570 3.960 0.007 0.000 0.246 308 G HA3 -0.394 3.571 3.960 0.007 0.000 0.246 308 G C -0.481 174.424 174.900 0.008 0.000 0.990 308 G CA -0.234 44.871 45.100 0.008 0.000 0.627 308 G HN -0.448 8.106 8.290 0.011 -0.258 0.522 309 E N 1.155 121.361 120.200 0.011 0.000 2.392 309 E HA -0.046 4.309 4.350 0.009 0.000 0.264 309 E C -0.990 175.616 176.600 0.010 0.000 1.024 309 E CA 0.665 57.071 56.400 0.011 0.000 0.903 309 E CB 0.717 30.425 29.700 0.014 0.000 0.963 309 E HN -0.535 7.766 8.360 0.012 0.067 0.432 310 R N 0.838 121.343 120.500 0.008 0.000 2.744 310 R HA 0.892 5.442 4.340 0.006 -0.207 0.279 310 R C -0.490 175.813 176.300 0.005 0.000 0.977 310 R CA -1.796 54.307 56.100 0.006 0.000 0.906 310 R CB 3.217 33.519 30.300 0.003 0.000 1.197 310 R HN 0.289 8.564 8.270 0.008 0.000 0.463 311 E N 1.002 121.204 120.200 0.003 0.000 2.390 311 E HA 0.360 4.711 4.350 0.002 0.000 0.277 311 E C -2.592 174.007 176.600 -0.002 0.000 0.939 311 E CA -1.403 54.998 56.400 0.002 0.000 0.769 311 E CB 3.811 33.514 29.700 0.004 0.000 1.251 311 E HN 0.451 8.813 8.360 0.002 0.000 0.450 312 E N 3.301 123.498 120.200 -0.004 0.000 2.187 312 E HA 0.569 5.083 4.350 -0.009 -0.169 0.268 312 E C -1.473 175.122 176.600 -0.009 0.000 0.896 312 E CA -1.484 54.912 56.400 -0.007 0.000 0.766 312 E CB 2.347 32.043 29.700 -0.007 0.000 1.142 312 E HN 0.236 8.594 8.360 -0.003 0.000 0.408 313 L N 6.949 128.164 121.223 -0.014 0.000 2.343 313 L HA 0.652 4.984 4.340 -0.014 0.000 0.278 313 L C -2.937 173.921 176.870 -0.020 0.000 0.996 313 L CA -3.532 51.298 54.840 -0.017 0.000 0.831 313 L CB 2.913 44.960 42.059 -0.021 0.000 1.232 313 L HN 0.572 8.793 8.230 -0.015 0.000 0.413 314 P HA 0.138 4.685 4.420 -0.020 -0.138 0.265 314 P C -1.661 175.623 177.300 -0.027 0.000 1.193 314 P CA 0.041 63.129 63.100 -0.020 0.000 0.765 314 P CB 0.221 31.912 31.700 -0.017 0.000 0.823 315 A N 1.075 123.877 122.820 -0.031 0.000 2.594 315 A HA 0.284 4.580 4.320 -0.040 0.000 0.296 315 A C -2.358 175.201 177.584 -0.041 0.000 1.061 315 A CA -0.128 51.885 52.037 -0.040 0.000 0.689 315 A CB 3.399 22.371 19.000 -0.047 0.000 1.280 315 A HN -0.103 7.919 8.150 -0.029 0.110 0.406 316 Q N -1.966 117.806 119.800 -0.047 0.000 2.214 316 Q HA 0.299 4.779 4.340 -0.042 -0.165 0.229 316 Q C -0.636 175.327 176.000 -0.062 0.000 0.835 316 Q CA -0.346 55.429 55.803 -0.047 0.000 0.953 316 Q CB 2.367 31.082 28.738 -0.037 0.000 1.131 316 Q HN 0.107 8.347 8.270 -0.050 0.000 0.501 317 L N -1.046 120.130 121.223 -0.078 0.000 2.464 317 L HA 0.558 5.018 4.340 -0.103 -0.182 0.266 317 L C -2.901 173.902 176.870 -0.112 0.000 0.965 317 L CA -0.185 54.591 54.840 -0.107 0.000 0.833 317 L CB 3.965 45.941 42.059 -0.138 0.000 1.296 317 L HN -0.853 7.331 8.230 -0.076 0.000 0.405 318 V N 6.463 126.311 119.914 -0.110 0.000 2.444 318 V HA 0.705 4.979 4.120 -0.105 -0.217 0.294 318 V C -1.928 174.096 176.094 -0.116 0.000 1.022 318 V CA -1.649 60.590 62.300 -0.101 0.000 0.850 318 V CB 2.738 34.518 31.823 -0.071 0.000 0.992 318 V HN 0.793 8.919 8.190 -0.105 0.000 0.426 319 V N 8.119 127.955 119.914 -0.130 0.000 2.334 319 V HA 0.493 4.756 4.120 -0.112 -0.211 0.281 319 V C -0.974 175.082 176.094 -0.062 0.000 1.016 319 V CA -1.946 60.281 62.300 -0.122 0.000 0.832 319 V CB 0.921 32.626 31.823 -0.197 0.000 0.999 319 V HN 0.800 8.912 8.190 -0.130 0.000 0.439 320 R N 6.735 127.212 120.500 -0.039 0.000 2.267 320 R HA 0.171 4.502 4.340 -0.016 0.000 0.319 320 R C -1.258 175.048 176.300 0.010 0.000 1.067 320 R CA -0.681 55.409 56.100 -0.016 0.000 0.936 320 R CB 0.086 30.376 30.300 -0.017 0.000 1.006 320 R HN 0.552 8.796 8.270 -0.043 0.000 0.452 321 S N 5.268 120.990 115.700 0.036 0.000 2.257 321 S HA 0.238 4.766 4.470 0.097 0.000 0.191 321 S C -0.849 173.800 174.600 0.080 0.000 1.386 321 S CA -2.287 55.965 58.200 0.086 0.000 1.233 321 S CB -0.355 62.920 63.200 0.125 0.000 1.138 321 S HN 0.636 8.963 8.310 0.028 0.000 0.483 322 V N -0.611 119.337 119.914 0.057 0.000 3.121 322 V HA 0.288 4.432 4.120 0.040 0.000 0.344 322 V C -1.218 174.907 176.094 0.052 0.000 1.390 322 V CA -2.123 60.201 62.300 0.041 0.000 1.177 322 V CB -0.312 31.523 31.823 0.019 0.000 1.163 322 V HN -0.316 7.901 8.190 0.046 0.000 0.484 323 G N -1.464 107.397 108.800 0.102 0.000 2.640 323 G HA2 -0.293 3.767 3.960 0.167 0.000 0.686 323 G HA3 -0.293 3.712 3.960 0.074 0.000 0.686 323 G C -1.495 173.523 174.900 0.197 0.000 1.229 323 G CA -0.904 44.278 45.100 0.136 0.000 0.796 323 G HN -0.691 7.612 8.290 0.133 0.067 0.654 324 Y N 0.872 121.196 120.300 0.041 0.000 2.260 324 Y HA 0.193 4.902 4.550 0.103 -0.097 0.339 324 Y C 0.372 176.312 175.900 0.067 0.000 1.317 324 Y CA 0.525 58.683 58.100 0.097 0.000 1.514 324 Y CB 1.625 40.218 38.460 0.223 0.000 1.382 324 Y HN 0.286 8.851 8.280 0.476 0.000 0.581 325 R N -1.599 119.044 120.500 0.239 0.000 2.561 325 R HA 0.277 4.713 4.340 0.160 0.000 0.266 325 R C -1.751 174.696 176.300 0.245 0.000 1.091 325 R CA -0.962 55.249 56.100 0.186 0.000 0.927 325 R CB 4.279 34.655 30.300 0.128 0.000 1.240 325 R HN 0.283 8.642 8.270 0.263 0.069 0.449 326 G N 3.026 111.995 108.800 0.282 0.000 2.594 326 G HA2 0.005 4.158 3.960 0.322 0.000 0.243 326 G HA3 0.005 4.407 3.960 0.423 -0.188 0.243 326 G C -1.407 173.723 174.900 0.382 0.000 1.229 326 G CA -0.387 44.931 45.100 0.364 0.000 0.843 326 G HN -0.060 8.376 8.290 0.244 0.000 0.578 327 V N -4.176 115.852 119.914 0.191 0.000 2.769 327 V HA 0.437 4.443 4.120 -0.189 0.000 0.312 327 V C -2.444 173.323 176.094 -0.544 0.000 1.061 327 V CA -4.278 57.937 62.300 -0.141 0.000 0.931 327 V CB 2.059 33.851 31.823 -0.051 0.000 1.010 327 V HN 0.020 8.329 8.190 0.199 0.000 0.433 328 P HA 0.120 3.818 4.420 -1.203 0.000 0.271 328 P C -0.957 176.125 177.300 -0.364 0.000 1.216 328 P CA -0.306 62.192 63.100 -1.002 0.000 0.776 328 P CB 0.587 31.781 31.700 -0.844 0.000 0.881 329 T N 4.923 119.350 114.554 -0.211 0.000 2.767 329 T HA 0.408 4.703 4.350 -0.091 0.000 0.284 329 T C -1.974 172.662 174.700 -0.106 0.000 0.973 329 T CA -1.382 60.649 62.100 -0.115 0.000 0.996 329 T CB 0.507 69.316 68.868 -0.098 0.000 0.927 329 T HN -0.040 8.089 8.240 -0.184 0.000 0.456 330 P HA -0.185 4.198 4.420 -0.061 0.000 0.261 330 P C 0.091 177.365 177.300 -0.044 0.000 1.173 330 P CA 0.812 63.879 63.100 -0.055 0.000 0.760 330 P CB 0.203 31.880 31.700 -0.038 0.000 0.783 331 G N 2.204 110.982 108.800 -0.037 0.000 2.176 331 G HA2 -0.274 3.676 3.960 -0.017 0.000 0.253 331 G HA3 -0.274 3.677 3.960 -0.016 0.000 0.253 331 G C -0.690 174.179 174.900 -0.052 0.000 0.979 331 G CA 0.183 45.266 45.100 -0.028 0.000 0.641 331 G HN 0.097 8.366 8.290 -0.035 0.000 0.530 332 L N -0.165 121.011 121.223 -0.079 0.000 2.341 332 L HA 0.497 4.781 4.340 -0.092 0.000 0.267 332 L C -2.351 174.506 176.870 -0.021 0.000 1.009 332 L CA -3.188 51.594 54.840 -0.097 0.000 0.819 332 L CB 1.409 43.340 42.059 -0.213 0.000 1.323 332 L HN -0.571 7.558 8.230 -0.079 0.054 0.425 333 P HA 0.031 4.489 4.420 0.063 0.000 0.272 333 P C -2.067 175.331 177.300 0.162 0.000 1.240 333 P CA -0.481 62.653 63.100 0.057 0.000 0.791 333 P CB 0.737 32.448 31.700 0.019 0.000 0.978 334 F N -1.243 118.690 119.950 -0.029 0.000 2.628 334 F HA 0.051 4.569 4.527 -0.015 0.000 0.309 334 F C -2.089 173.706 175.800 -0.008 0.000 1.108 334 F CA -0.766 57.224 58.000 -0.016 0.000 0.971 334 F CB 4.285 43.277 39.000 -0.013 0.000 1.279 334 F HN -0.268 8.138 8.300 0.176 0.000 0.441 335 D N 6.281 126.309 120.400 -0.619 0.000 2.427 335 D HA 0.253 4.760 4.640 -0.222 0.000 0.226 335 D C -0.621 175.324 176.300 -0.591 0.000 1.076 335 D CA -1.932 51.806 54.000 -0.436 0.000 0.849 335 D CB 1.362 41.968 40.800 -0.324 0.000 1.052 335 D HN 0.284 8.096 8.370 -0.931 0.000 0.515 336 D N 6.344 126.625 120.400 -0.198 0.000 2.178 336 D HA -0.281 4.421 4.640 0.103 0.000 0.201 336 D C 1.930 178.195 176.300 -0.058 0.000 0.980 336 D CA 3.307 57.299 54.000 -0.014 0.000 0.842 336 D CB 0.091 40.953 40.800 0.104 0.000 0.948 336 D HN 0.494 8.819 8.370 -0.076 0.000 0.472 337 Q N -1.734 118.012 119.800 -0.090 0.000 2.046 337 Q HA -0.200 4.121 4.340 -0.032 0.000 0.200 337 Q C 1.626 177.578 176.000 -0.080 0.000 0.975 337 Q CA 2.616 58.381 55.803 -0.063 0.000 0.836 337 Q CB -0.004 28.699 28.738 -0.058 0.000 0.896 337 Q HN -0.122 8.292 8.270 -0.103 -0.206 0.428 338 S N -5.075 110.542 115.700 -0.139 0.000 2.517 338 S HA 0.006 4.426 4.470 -0.084 0.000 0.214 338 S C 1.206 175.720 174.600 -0.143 0.000 0.991 338 S CA -0.024 58.102 58.200 -0.124 0.000 0.906 338 S CB 1.298 64.422 63.200 -0.127 0.000 0.789 338 S HN -0.619 7.992 8.310 -0.183 -0.410 0.513 339 G N 2.714 111.354 108.800 -0.265 0.000 2.221 339 G HA2 -0.396 3.355 3.960 -0.348 0.000 0.265 339 G HA3 -0.396 3.584 3.960 0.033 0.000 0.265 339 G C -1.460 173.309 174.900 -0.218 0.000 1.041 339 G CA 0.788 45.759 45.100 -0.215 0.000 0.807 339 G HN 0.126 8.206 8.290 -0.351 0.000 0.502 340 T N -4.535 109.769 114.554 -0.416 0.000 2.930 340 T HA 0.565 5.006 4.350 -0.015 -0.101 0.290 340 T C -1.655 172.905 174.700 -0.233 0.000 1.052 340 T CA -2.925 59.071 62.100 -0.173 0.000 1.017 340 T CB 2.991 71.806 68.868 -0.089 0.000 1.137 340 T HN -0.893 7.019 8.240 -0.546 0.000 0.511 341 I N 1.446 122.009 120.570 -0.012 0.000 2.342 341 I HA 0.305 4.488 4.170 0.021 0.000 0.291 341 I C -1.806 174.301 176.117 -0.017 0.000 1.010 341 I CA -2.167 59.146 61.300 0.021 0.000 1.308 341 I CB 0.723 38.772 38.000 0.082 0.000 1.400 341 I HN -0.283 7.957 8.210 0.050 0.000 0.488 342 P HA 0.005 4.401 4.420 -0.041 0.000 0.264 342 P C -1.888 175.404 177.300 -0.014 0.000 1.193 342 P CA 0.299 63.379 63.100 -0.033 0.000 0.763 342 P CB 0.269 31.950 31.700 -0.033 0.000 0.810 343 N N 0.486 119.182 118.700 -0.007 0.000 2.708 343 N HA 0.369 5.307 4.740 -0.011 -0.205 0.257 343 N C -1.671 173.844 175.510 0.008 0.000 1.373 343 N CA -0.681 52.370 53.050 0.003 0.000 0.843 343 N CB 3.833 42.338 38.487 0.030 0.000 1.503 343 N HN -0.164 8.211 8.380 -0.008 0.000 0.504 344 V N 0.316 120.236 119.914 0.010 0.000 2.349 344 V HA 0.161 4.293 4.120 0.019 0.000 0.284 344 V C 0.909 177.030 176.094 0.044 0.000 1.014 344 V CA -1.049 61.263 62.300 0.019 0.000 0.826 344 V CB 0.122 31.951 31.823 0.009 0.000 1.009 344 V HN 0.806 8.998 8.190 0.002 0.000 0.431 345 G N 8.159 116.991 108.800 0.053 0.000 2.225 345 G HA2 -0.436 3.563 3.960 0.065 0.000 0.267 345 G HA3 -0.436 3.569 3.960 0.074 0.000 0.267 345 G C 0.300 175.270 174.900 0.116 0.000 1.024 345 G CA 0.753 45.898 45.100 0.074 0.000 0.784 345 G HN 0.787 9.103 8.290 0.043 0.000 0.507 346 G N -4.361 104.509 108.800 0.117 0.000 2.241 346 G HA2 -0.546 3.506 3.960 0.153 0.000 0.244 346 G HA3 -0.546 3.539 3.960 0.209 0.000 0.244 346 G C -1.380 173.650 174.900 0.216 0.000 0.998 346 G CA -0.335 44.871 45.100 0.177 0.000 0.621 346 G HN -0.108 8.488 8.290 0.089 -0.252 0.519 347 R N 2.172 122.742 120.500 0.118 0.000 2.265 347 R HA 0.184 4.356 4.340 -0.470 -0.114 0.314 347 R C -0.254 175.961 176.300 -0.142 0.000 1.053 347 R CA -0.930 55.060 56.100 -0.184 0.000 0.931 347 R CB 0.952 31.133 30.300 -0.198 0.000 1.024 347 R HN -0.621 7.654 8.270 0.116 0.065 0.457 348 I N 6.900 127.359 120.570 -0.185 0.000 2.775 348 I HA -0.325 3.966 4.170 -0.048 -0.150 0.290 348 I C 0.021 176.087 176.117 -0.086 0.000 1.203 348 I CA 1.227 62.472 61.300 -0.092 0.000 1.433 348 I CB -0.087 37.865 38.000 -0.080 0.000 1.354 348 I HN 0.424 8.359 8.210 -0.276 0.109 0.579 349 N N 8.246 126.916 118.700 -0.049 0.000 2.357 349 N HA -0.387 4.330 4.740 -0.037 0.000 0.257 349 N C 0.902 176.388 175.510 -0.041 0.000 1.250 349 N CA 2.325 55.352 53.050 -0.039 0.000 0.862 349 N CB 0.449 38.921 38.487 -0.025 0.000 1.066 349 N HN -0.215 8.142 8.380 -0.037 0.000 0.468 350 G N 2.975 111.753 108.800 -0.038 0.000 2.179 350 G HA2 -0.257 3.688 3.960 -0.026 0.000 0.260 350 G HA3 -0.257 3.687 3.960 -0.026 0.000 0.260 350 G C -1.270 173.607 174.900 -0.039 0.000 0.977 350 G CA -0.055 45.026 45.100 -0.031 0.000 0.641 350 G HN 0.346 8.614 8.290 -0.036 0.000 0.533 351 S N 0.438 116.099 115.700 -0.065 0.000 2.501 351 S HA 0.537 4.980 4.470 -0.046 0.000 0.301 351 S C -1.314 173.228 174.600 -0.096 0.000 1.096 351 S CA -3.629 54.526 58.200 -0.074 0.000 1.063 351 S CB 1.198 64.338 63.200 -0.099 0.000 1.042 351 S HN -0.520 7.692 8.310 -0.080 0.050 0.494 352 P HA 0.127 4.524 4.420 -0.040 0.000 0.245 352 P C -0.514 176.767 177.300 -0.031 0.000 1.203 352 P CA 0.819 63.897 63.100 -0.037 0.000 0.792 352 P CB 0.338 32.038 31.700 0.000 0.000 0.997 353 N N -4.975 113.693 118.700 -0.053 0.000 2.162 353 N HA 0.095 4.951 4.740 0.194 0.000 0.232 353 N C -2.032 173.525 175.510 0.077 0.000 1.361 353 N CA -0.594 52.505 53.050 0.082 0.000 0.786 353 N CB 1.392 39.968 38.487 0.149 0.000 1.290 353 N HN -0.441 7.897 8.380 -0.070 0.000 0.505 354 E N -0.217 119.869 120.200 -0.189 0.000 2.199 354 E HA 0.836 5.516 4.350 0.203 -0.208 0.269 354 E C -1.531 174.853 176.600 -0.360 0.000 0.899 354 E CA -1.210 55.177 56.400 -0.021 0.000 0.772 354 E CB 3.729 33.494 29.700 0.108 0.000 1.155 354 E HN -0.706 7.475 8.360 -0.300 0.000 0.408 355 Y N 0.523 120.932 120.300 0.180 0.000 2.634 355 Y HA 0.862 5.628 4.550 0.115 -0.147 0.340 355 Y C -1.285 174.730 175.900 0.191 0.000 1.058 355 Y CA -1.615 56.568 58.100 0.139 0.000 1.081 355 Y CB 4.643 43.156 38.460 0.087 0.000 1.295 355 Y HN 0.656 9.173 8.280 0.396 0.000 0.487 356 V N -4.422 115.675 119.914 0.304 0.000 2.789 356 V HA 1.016 5.522 4.120 0.282 -0.217 0.311 356 V C -1.748 174.472 176.094 0.211 0.000 1.073 356 V CA -2.508 59.942 62.300 0.251 0.000 0.921 356 V CB 3.376 35.317 31.823 0.196 0.000 1.009 356 V HN 0.568 8.936 8.190 0.296 0.000 0.426 357 V N -4.228 115.801 119.914 0.191 0.000 3.130 357 V HA 0.685 4.906 4.120 0.170 0.000 0.310 357 V C 0.051 176.259 176.094 0.190 0.000 1.158 357 V CA -3.272 59.131 62.300 0.172 0.000 1.029 357 V CB 3.046 34.956 31.823 0.145 0.000 1.057 357 V HN 0.024 8.332 8.190 0.196 0.000 0.436 358 G N -0.269 108.658 108.800 0.212 0.000 2.598 358 G HA2 -0.326 3.998 3.960 0.282 0.000 0.244 358 G HA3 -0.326 3.761 3.960 0.210 0.000 0.244 358 G C 0.416 175.546 174.900 0.383 0.000 1.302 358 G CA 0.410 45.668 45.100 0.264 0.000 0.903 358 G HN -0.223 8.190 8.290 0.206 0.000 0.575 359 W N 0.163 121.527 121.300 0.107 0.000 2.364 359 W HA -0.071 4.804 4.660 0.090 -0.161 0.281 359 W C 2.181 178.766 176.519 0.110 0.000 1.219 359 W CA 2.048 59.454 57.345 0.101 0.000 1.220 359 W CB -0.346 29.172 29.460 0.097 0.000 1.127 359 W HN 0.375 8.844 8.180 0.482 0.000 0.556 360 I N -1.140 119.631 120.570 0.335 0.000 2.614 360 I HA -0.370 3.952 4.170 0.253 0.000 0.258 360 I C 0.563 176.787 176.117 0.178 0.000 1.189 360 I CA 0.895 62.346 61.300 0.252 0.000 1.462 360 I CB -0.075 38.077 38.000 0.253 0.000 1.092 360 I HN -0.116 8.277 8.210 0.332 0.016 0.442 361 K N -0.516 119.991 120.400 0.178 0.000 2.121 361 K HA -0.048 4.334 4.320 0.103 0.000 0.203 361 K C 1.612 178.267 176.600 0.091 0.000 1.041 361 K CA 2.162 58.525 56.287 0.127 0.000 0.969 361 K CB 0.476 33.062 32.500 0.144 0.000 0.799 361 K HN -0.442 7.808 8.250 0.212 0.126 0.456 362 R N -3.828 116.741 120.500 0.115 0.000 2.246 362 R HA -0.040 4.331 4.340 0.051 0.000 0.199 362 R C 0.420 176.708 176.300 -0.019 0.000 0.984 362 R CA 0.441 56.580 56.100 0.065 0.000 1.015 362 R CB 0.930 31.301 30.300 0.118 0.000 0.930 362 R HN -0.297 8.073 8.270 0.168 0.000 0.475 363 G N -0.724 108.054 108.800 -0.037 0.000 2.730 363 G HA2 -0.220 3.678 3.960 -0.103 0.000 0.686 363 G HA3 -0.220 3.647 3.960 -0.156 0.000 0.686 363 G C -2.489 172.130 174.900 -0.468 0.000 1.343 363 G CA -0.855 44.153 45.100 -0.155 0.000 0.826 363 G HN -0.557 7.704 8.290 0.027 0.044 0.582 364 P HA 0.135 3.107 4.420 -2.413 0.000 0.214 364 P C -1.747 174.569 177.300 -1.640 0.000 1.826 364 P CA -0.594 61.592 63.100 -1.524 0.000 0.977 364 P CB -1.063 30.245 31.700 -0.653 0.000 1.930 365 T N -2.358 111.435 114.554 -1.269 0.000 2.903 365 T HA 0.084 4.178 4.350 -0.427 0.000 0.299 365 T C -1.552 173.141 174.700 -0.011 0.000 1.093 365 T CA -1.213 60.597 62.100 -0.483 0.000 1.002 365 T CB 2.921 71.650 68.868 -0.231 0.000 1.127 365 T HN -0.275 7.196 8.240 -1.188 0.057 0.488 366 G N 1.196 110.121 108.800 0.208 0.000 2.770 366 G HA2 -0.193 3.883 3.960 0.193 0.000 0.686 366 G HA3 -0.193 3.946 3.960 0.297 0.000 0.686 366 G C -0.980 174.147 174.900 0.378 0.000 1.180 366 G CA -0.758 44.516 45.100 0.290 0.000 0.767 366 G HN -0.222 8.166 8.290 0.163 0.000 0.646 367 V N -0.282 119.770 119.914 0.231 0.000 3.376 367 V HA -0.042 4.184 4.120 0.176 0.000 0.303 367 V C 0.989 177.187 176.094 0.173 0.000 1.100 367 V CA -0.217 62.188 62.300 0.176 0.000 1.126 367 V CB 1.200 33.091 31.823 0.113 0.000 1.085 367 V HN 0.182 8.482 8.190 0.184 0.000 0.480 368 I N 2.256 122.903 120.570 0.129 0.000 2.145 368 I HA -0.416 3.828 4.170 0.123 0.000 0.244 368 I C 1.802 178.093 176.117 0.290 0.000 1.075 368 I CA 3.542 64.942 61.300 0.166 0.000 1.332 368 I CB -0.806 37.275 38.000 0.133 0.000 1.033 368 I HN 0.341 8.611 8.210 0.099 0.000 0.410 369 G N -3.716 105.205 108.800 0.201 0.000 2.509 369 G HA2 -0.087 3.957 3.960 0.139 0.000 0.218 369 G HA3 -0.087 3.911 3.960 0.063 0.000 0.218 369 G C 1.344 176.275 174.900 0.051 0.000 1.124 369 G CA 1.877 47.049 45.100 0.119 0.000 0.776 369 G HN 0.265 8.638 8.290 0.149 0.006 0.547 370 T N -0.141 114.486 114.554 0.121 0.000 3.051 370 T HA -0.270 4.118 4.350 0.064 0.000 0.269 370 T C 1.281 176.061 174.700 0.134 0.000 1.127 370 T CA 3.219 65.387 62.100 0.113 0.000 1.107 370 T CB -0.670 68.292 68.868 0.157 0.000 0.898 370 T HN -0.355 7.944 8.240 0.154 0.034 0.517 371 N N 1.042 119.862 118.700 0.200 0.000 2.463 371 N HA -0.005 4.875 4.740 0.233 0.000 0.181 371 N C 0.785 176.385 175.510 0.150 0.000 1.078 371 N CA 2.276 55.480 53.050 0.257 0.000 0.902 371 N CB 0.230 38.947 38.487 0.383 0.000 0.970 371 N HN -0.561 7.921 8.380 0.251 0.048 0.451 372 K N 1.309 121.592 120.400 -0.196 0.000 2.007 372 K HA -0.346 3.602 4.320 -0.619 0.000 0.206 372 K C 1.549 178.033 176.600 -0.193 0.000 1.047 372 K CA 4.148 60.100 56.287 -0.558 0.000 0.937 372 K CB -0.079 31.794 32.500 -1.045 0.000 0.718 372 K HN -0.497 7.574 8.250 -0.221 0.046 0.438 373 K N -2.102 118.223 120.400 -0.124 0.000 2.057 373 K HA -0.286 3.997 4.320 -0.063 0.000 0.207 373 K C 1.642 178.242 176.600 -0.001 0.000 1.049 373 K CA 3.103 59.358 56.287 -0.054 0.000 0.931 373 K CB -0.558 31.920 32.500 -0.037 0.000 0.714 373 K HN 0.108 8.282 8.250 -0.126 0.000 0.440 374 D N -2.073 118.345 120.400 0.029 0.000 2.144 374 D HA -0.260 4.411 4.640 0.052 0.000 0.199 374 D C 1.558 177.904 176.300 0.075 0.000 0.984 374 D CA 3.428 57.465 54.000 0.061 0.000 0.834 374 D CB -0.107 40.746 40.800 0.089 0.000 0.955 374 D HN -0.023 8.366 8.370 0.031 0.000 0.465 375 A N -0.709 122.167 122.820 0.094 0.000 1.902 375 A HA -0.403 3.982 4.320 0.109 0.000 0.217 375 A C 1.843 179.466 177.584 0.065 0.000 1.181 375 A CA 3.222 55.325 52.037 0.108 0.000 0.623 375 A CB -0.657 18.451 19.000 0.180 0.000 0.818 375 A HN -0.618 7.592 8.150 0.099 0.000 0.443 376 Q N -0.809 119.015 119.800 0.041 0.000 2.084 376 Q HA -0.334 4.023 4.340 0.028 0.000 0.202 376 Q C 2.149 178.157 176.000 0.014 0.000 0.978 376 Q CA 2.835 58.651 55.803 0.022 0.000 0.844 376 Q CB -0.336 28.403 28.738 0.001 0.000 0.898 376 Q HN -0.247 8.040 8.270 0.028 0.000 0.426 377 D N -1.673 118.740 120.400 0.020 0.000 2.117 377 D HA -0.199 4.449 4.640 0.015 0.000 0.198 377 D C 2.413 178.727 176.300 0.023 0.000 0.982 377 D CA 3.159 57.172 54.000 0.022 0.000 0.828 377 D CB -0.491 40.327 40.800 0.030 0.000 0.967 377 D HN -0.198 8.186 8.370 0.024 0.000 0.464 378 T N 3.092 117.667 114.554 0.035 0.000 2.821 378 T HA -0.247 4.140 4.350 0.062 0.000 0.267 378 T C 1.832 176.485 174.700 -0.079 0.000 1.046 378 T CA 4.738 66.857 62.100 0.032 0.000 1.139 378 T CB -0.054 68.865 68.868 0.085 0.000 0.871 378 T HN -0.447 7.821 8.240 0.046 0.000 0.454 379 V N 2.134 122.006 119.914 -0.071 0.000 2.407 379 V HA -0.492 3.506 4.120 -0.204 0.000 0.248 379 V C 1.651 177.680 176.094 -0.109 0.000 1.055 379 V CA 4.767 66.996 62.300 -0.119 0.000 1.049 379 V CB -0.789 31.005 31.823 -0.050 0.000 0.662 379 V HN -0.040 8.134 8.190 -0.026 0.000 0.455 380 D N -0.128 120.241 120.400 -0.052 0.000 2.104 380 D HA -0.270 4.351 4.640 -0.032 0.000 0.194 380 D C 2.760 179.034 176.300 -0.045 0.000 0.994 380 D CA 3.732 57.711 54.000 -0.035 0.000 0.830 380 D CB -0.631 40.164 40.800 -0.008 0.000 0.959 380 D HN -0.045 8.306 8.370 -0.032 0.000 0.452 381 T N 2.453 116.985 114.554 -0.036 0.000 2.708 381 T HA -0.353 4.009 4.350 0.019 0.000 0.266 381 T C 2.015 176.681 174.700 -0.057 0.000 1.037 381 T CA 4.563 66.663 62.100 -0.001 0.000 1.146 381 T CB -0.102 68.811 68.868 0.074 0.000 0.865 381 T HN -0.597 7.627 8.240 -0.027 0.000 0.435 382 L N 2.368 123.417 121.223 -0.290 0.000 2.013 382 L HA -0.324 3.705 4.340 -0.519 0.000 0.212 382 L C 1.835 178.563 176.870 -0.237 0.000 1.073 382 L CA 3.124 57.650 54.840 -0.523 0.000 0.753 382 L CB -0.026 41.482 42.059 -0.919 0.000 0.890 382 L HN -0.167 7.858 8.230 -0.342 0.000 0.432 383 I N -2.503 117.957 120.570 -0.184 0.000 2.315 383 I HA -0.497 3.561 4.170 -0.186 0.000 0.248 383 I C 1.939 178.009 176.117 -0.078 0.000 1.117 383 I CA 2.429 63.650 61.300 -0.132 0.000 1.404 383 I CB -1.462 36.496 38.000 -0.070 0.000 1.071 383 I HN -0.030 8.075 8.210 -0.176 0.000 0.419 384 K N 0.583 120.958 120.400 -0.043 0.000 2.032 384 K HA -0.463 3.857 4.320 -0.000 0.000 0.209 384 K C 2.107 178.706 176.600 -0.002 0.000 1.048 384 K CA 4.056 60.338 56.287 -0.008 0.000 0.927 384 K CB -0.301 32.204 32.500 0.008 0.000 0.712 384 K HN -0.035 8.188 8.250 -0.045 0.000 0.441 385 N N -0.797 117.907 118.700 0.006 0.000 2.166 385 N HA -0.278 4.485 4.740 0.039 0.000 0.186 385 N C 2.458 177.962 175.510 -0.009 0.000 1.019 385 N CA 3.109 56.178 53.050 0.033 0.000 0.856 385 N CB 0.105 38.661 38.487 0.116 0.000 0.993 385 N HN -0.424 7.960 8.380 0.006 0.000 0.426 386 L N -0.303 120.863 121.223 -0.095 0.000 2.046 386 L HA -0.336 3.916 4.340 -0.147 0.000 0.208 386 L C 2.048 178.885 176.870 -0.056 0.000 1.077 386 L CA 3.172 57.891 54.840 -0.202 0.000 0.747 386 L CB -0.411 41.261 42.059 -0.645 0.000 0.896 386 L HN -0.139 8.017 8.230 -0.123 0.000 0.432 387 G N -2.381 106.412 108.800 -0.013 0.000 2.422 387 G HA2 -0.431 3.603 3.960 0.124 0.000 0.218 387 G HA3 -0.431 3.563 3.960 0.057 0.000 0.218 387 G C 0.777 175.710 174.900 0.055 0.000 1.146 387 G CA 2.133 47.273 45.100 0.065 0.000 0.769 387 G HN -0.012 8.255 8.290 -0.040 0.000 0.547 388 N N 2.152 120.872 118.700 0.033 0.000 2.120 388 N HA -0.359 4.400 4.740 0.033 0.000 0.188 388 N C 2.050 177.582 175.510 0.035 0.000 1.024 388 N CA 2.762 55.831 53.050 0.032 0.000 0.852 388 N CB 0.059 38.562 38.487 0.027 0.000 1.003 388 N HN -0.397 7.997 8.380 0.023 0.000 0.424 389 A N 0.474 123.316 122.820 0.036 0.000 1.902 389 A HA -0.271 4.067 4.320 0.031 0.000 0.217 389 A C 1.515 179.132 177.584 0.056 0.000 1.181 389 A CA 2.918 54.978 52.037 0.039 0.000 0.623 389 A CB -0.586 18.436 19.000 0.037 0.000 0.818 389 A HN -0.235 7.933 8.150 0.030 0.000 0.443 390 K N -0.664 119.790 120.400 0.090 0.000 2.026 390 K HA -0.302 4.076 4.320 0.097 0.000 0.208 390 K C 2.729 179.364 176.600 0.059 0.000 1.048 390 K CA 3.103 59.451 56.287 0.102 0.000 0.929 390 K CB -0.020 32.578 32.500 0.163 0.000 0.713 390 K HN -0.092 8.219 8.250 0.102 0.000 0.439 391 E N 0.015 120.246 120.200 0.052 0.000 2.153 391 E HA -0.174 4.196 4.350 0.033 0.000 0.194 391 E C 1.765 178.380 176.600 0.025 0.000 0.988 391 E CA 1.982 58.403 56.400 0.035 0.000 0.811 391 E CB -0.201 29.519 29.700 0.033 0.000 0.746 391 E HN -0.237 8.157 8.360 0.057 0.000 0.466 392 G N -3.702 105.113 108.800 0.025 0.000 2.985 392 G HA2 -0.047 3.922 3.960 0.014 0.000 0.209 392 G HA3 -0.047 3.923 3.960 0.016 0.000 0.209 392 G C -0.957 173.950 174.900 0.012 0.000 1.165 392 G CA -0.651 44.459 45.100 0.016 0.000 0.776 392 G HN -0.596 7.609 8.290 0.030 0.102 0.541 393 A N -2.018 120.811 122.820 0.015 0.000 2.791 393 A HA -0.338 3.987 4.320 0.008 0.000 0.292 393 A C -0.026 177.556 177.584 -0.003 0.000 1.487 393 A CA 1.138 53.178 52.037 0.006 0.000 0.760 393 A CB -2.212 16.788 19.000 -0.001 0.000 1.031 393 A HN -0.404 7.579 8.150 0.021 0.179 0.503 394 E N -3.663 116.539 120.200 0.004 0.000 2.538 394 E HA 0.165 4.505 4.350 -0.017 0.000 0.207 394 E C -0.593 175.999 176.600 -0.012 0.000 1.002 394 E CA -0.419 55.977 56.400 -0.006 0.000 0.952 394 E CB 0.805 30.506 29.700 0.002 0.000 1.031 394 E HN -0.024 8.346 8.360 0.016 0.000 0.476 395 C N -1.172 118.128 119.300 -0.001 0.000 2.604 395 C HA -0.000 4.464 4.460 0.007 0.000 0.396 395 C C 1.069 175.991 174.990 -0.113 0.000 1.282 395 C CA -0.360 58.655 59.018 -0.006 0.000 2.292 395 C CB 0.395 28.181 27.740 0.077 0.000 2.633 395 C HN -0.110 8.127 8.230 0.011 0.000 0.620 396 K N 3.135 123.400 120.400 -0.224 0.000 2.414 396 K HA 0.003 4.104 4.320 -0.365 0.000 0.272 396 K C -0.229 176.040 176.600 -0.553 0.000 0.993 396 K CA 0.595 56.590 56.287 -0.486 0.000 0.964 396 K CB 0.610 32.585 32.500 -0.876 0.000 0.925 396 K HN 0.540 8.682 8.250 -0.179 0.000 0.487 397 S N 3.082 118.501 115.700 -0.469 0.000 2.465 397 S HA 0.257 4.584 4.470 -0.239 0.000 0.279 397 S C -1.096 173.249 174.600 -0.424 0.000 1.201 397 S CA 0.151 58.160 58.200 -0.319 0.000 1.053 397 S CB 0.346 63.446 63.200 -0.167 0.000 0.953 397 S HN 0.209 8.277 8.310 -0.403 0.000 0.488 398 F N 6.346 126.211 119.950 -0.141 0.000 2.532 398 F HA 0.297 4.641 4.527 -0.305 0.000 0.321 398 F C -1.854 173.879 175.800 -0.112 0.000 1.089 398 F CA -3.361 54.479 58.000 -0.267 0.000 0.926 398 F CB 0.612 39.285 39.000 -0.544 0.000 1.168 398 F HN 0.031 8.285 8.300 -0.078 0.000 0.459 402 H N 1.536 120.530 119.070 -0.127 0.000 2.387 402 H HA -0.385 3.978 4.556 -0.322 0.000 0.299 402 H C 0.324 175.406 175.328 -0.409 0.000 1.099 402 H CA 3.660 59.486 56.048 -0.371 0.000 1.315 402 H CB 0.973 30.309 29.762 -0.709 0.000 1.380 402 H HN -0.166 8.192 8.280 0.130 0.000 0.513 403 A N -1.992 120.699 122.820 -0.215 0.000 1.908 403 A HA -0.347 3.836 4.320 -0.230 0.000 0.218 403 A C 2.141 179.649 177.584 -0.127 0.000 1.181 403 A CA 3.123 55.089 52.037 -0.118 0.000 0.627 403 A CB -0.771 18.326 19.000 0.161 0.000 0.818 403 A HN 0.497 8.642 8.150 -0.007 0.000 0.445 404 D N -1.593 118.760 120.400 -0.077 0.000 2.117 404 D HA -0.246 4.390 4.640 -0.007 0.000 0.198 404 D C 2.312 178.551 176.300 -0.102 0.000 0.982 404 D CA 2.937 56.909 54.000 -0.047 0.000 0.828 404 D CB -0.639 40.153 40.800 -0.014 0.000 0.967 404 D HN -0.529 7.810 8.370 -0.051 0.000 0.464 405 Q N -0.934 118.754 119.800 -0.187 0.000 2.079 405 Q HA -0.175 4.099 4.340 -0.111 0.000 0.200 405 Q C 2.649 178.500 176.000 -0.248 0.000 0.974 405 Q CA 2.273 57.958 55.803 -0.197 0.000 0.840 405 Q CB -0.148 28.467 28.738 -0.205 0.000 0.898 405 Q HN -0.619 7.444 8.270 -0.214 0.079 0.430 406 V N -0.697 118.934 119.914 -0.472 0.000 2.515 406 V HA -0.429 3.522 4.120 -0.282 0.000 0.250 406 V C 1.676 177.693 176.094 -0.128 0.000 1.058 406 V CA 3.401 65.476 62.300 -0.375 0.000 1.064 406 V CB -1.024 30.385 31.823 -0.690 0.000 0.675 406 V HN 0.159 7.959 8.190 -0.651 0.000 0.461 407 A N 0.469 123.198 122.820 -0.152 0.000 1.930 407 A HA -0.376 3.746 4.320 -0.330 0.000 0.217 407 A C 1.752 179.294 177.584 -0.071 0.000 1.175 407 A CA 3.358 55.321 52.037 -0.123 0.000 0.627 407 A CB -0.575 18.479 19.000 0.091 0.000 0.815 407 A HN -0.451 7.605 8.150 -0.157 0.000 0.443 408 D N -0.967 119.418 120.400 -0.025 0.000 2.144 408 D HA -0.224 4.414 4.640 -0.004 0.000 0.199 408 D C 1.793 178.108 176.300 0.026 0.000 0.984 408 D CA 3.068 57.068 54.000 0.000 0.000 0.834 408 D CB -0.346 40.458 40.800 0.007 0.000 0.955 408 D HN -0.424 7.925 8.370 -0.036 0.000 0.465 409 W N 1.368 122.574 121.300 -0.156 0.000 2.355 409 W HA -0.344 4.254 4.660 -0.104 0.000 0.309 409 W C 1.491 177.924 176.519 -0.144 0.000 1.206 409 W CA 4.177 61.439 57.345 -0.139 0.000 1.284 409 W CB -0.002 29.363 29.460 -0.159 0.000 1.145 409 W HN -0.430 7.855 8.180 0.175 0.000 0.502 410 L N -2.366 118.656 121.223 -0.335 0.000 2.042 410 L HA -0.575 3.253 4.340 -0.854 0.000 0.210 410 L C 2.360 178.994 176.870 -0.394 0.000 1.076 410 L CA 3.008 57.501 54.840 -0.578 0.000 0.749 410 L CB -0.546 41.139 42.059 -0.622 0.000 0.893 410 L HN -0.274 7.873 8.230 -0.138 0.000 0.432 411 A N -1.925 120.758 122.820 -0.227 0.000 1.969 411 A HA -0.224 4.169 4.320 -0.130 -0.151 0.218 411 A C 1.706 179.209 177.584 -0.136 0.000 1.169 411 A CA 2.425 54.382 52.037 -0.133 0.000 0.635 411 A CB -0.609 18.364 19.000 -0.046 0.000 0.810 411 A HN -0.230 7.811 8.150 -0.183 0.000 0.445 412 A N -2.252 120.481 122.820 -0.146 0.000 1.930 412 A HA -0.231 4.044 4.320 -0.076 0.000 0.217 412 A C 2.002 179.490 177.584 -0.159 0.000 1.175 412 A CA 2.529 54.497 52.037 -0.115 0.000 0.627 412 A CB -0.427 18.537 19.000 -0.060 0.000 0.815 412 A HN -0.326 7.735 8.150 -0.148 0.000 0.443 413 R N -4.614 115.711 120.500 -0.290 0.000 2.153 413 R HA -0.021 4.213 4.340 -0.177 0.000 0.218 413 R C 0.181 176.376 176.300 -0.176 0.000 1.072 413 R CA 0.460 56.402 56.100 -0.263 0.000 0.990 413 R CB 0.765 30.783 30.300 -0.470 0.000 0.889 413 R HN -0.530 7.498 8.270 -0.403 0.000 0.452 414 Q N -2.187 117.464 119.800 -0.249 0.000 3.021 414 Q HA 0.499 4.700 4.340 -0.233 0.000 0.234 414 Q C -2.188 173.703 176.000 -0.182 0.000 0.930 414 Q CA -2.960 52.674 55.803 -0.282 0.000 0.714 414 Q CB 0.037 28.461 28.738 -0.522 0.000 1.325 414 Q HN -0.502 7.606 8.270 -0.270 0.000 0.473 415 P HA -0.091 4.405 4.420 -0.062 -0.114 0.222 415 P C -0.229 177.034 177.300 -0.062 0.000 1.147 415 P CA 1.081 64.138 63.100 -0.071 0.000 0.790 415 P CB 0.425 32.096 31.700 -0.049 0.000 0.780 416 K N -2.828 117.520 120.400 -0.087 0.000 2.811 416 K HA 0.194 4.474 4.320 -0.066 0.000 0.217 416 K C -0.030 176.523 176.600 -0.078 0.000 1.115 416 K CA -1.235 55.006 56.287 -0.077 0.000 1.179 416 K CB -0.584 31.873 32.500 -0.071 0.000 0.994 416 K HN -0.431 8.033 8.250 -0.110 -0.279 0.464 417 L N -0.257 120.928 121.223 -0.063 0.000 2.543 417 L HA -0.254 4.178 4.340 -0.071 -0.134 0.285 417 L C 0.578 177.496 176.870 0.081 0.000 1.236 417 L CA 0.529 55.361 54.840 -0.013 0.000 0.871 417 L CB 0.420 42.521 42.059 0.070 0.000 1.121 417 L HN -0.645 7.469 8.230 -0.067 0.076 0.501 418 V N 4.138 124.102 119.914 0.083 0.000 2.293 418 V HA 0.247 4.556 4.120 0.314 0.000 0.275 418 V C -0.220 176.012 176.094 0.229 0.000 1.021 418 V CA -1.654 60.776 62.300 0.216 0.000 0.815 418 V CB -0.370 31.575 31.823 0.204 0.000 1.025 418 V HN 0.358 8.450 8.190 0.011 0.105 0.448 419 T N 3.865 118.564 114.554 0.243 0.000 2.754 419 T HA 0.361 4.886 4.350 -0.029 -0.193 0.286 419 T C 1.618 176.473 174.700 0.259 0.000 0.997 419 T CA -1.019 61.132 62.100 0.085 0.000 0.982 419 T CB 1.048 69.861 68.868 -0.092 0.000 1.027 419 T HN 0.224 8.675 8.240 0.352 0.000 0.529 420 S N 2.829 118.664 115.700 0.226 0.000 2.370 420 S HA -0.507 4.186 4.470 0.370 0.000 0.226 420 S C 1.596 176.283 174.600 0.144 0.000 1.033 420 S CA 4.079 62.435 58.200 0.260 0.000 1.011 420 S CB -0.610 62.710 63.200 0.200 0.000 0.852 420 S HN 0.650 9.037 8.310 0.128 0.000 0.457 421 A N 0.512 123.329 122.820 -0.004 0.000 1.902 421 A HA -0.232 4.061 4.320 -0.045 0.000 0.217 421 A C 1.684 179.240 177.584 -0.047 0.000 1.181 421 A CA 2.541 54.528 52.037 -0.083 0.000 0.623 421 A CB -0.786 18.104 19.000 -0.184 0.000 0.818 421 A HN 0.117 8.235 8.150 -0.049 0.003 0.443 422 H N -1.488 117.632 119.070 0.084 0.000 2.363 422 H HA -0.115 4.459 4.556 0.031 0.000 0.301 422 H C 2.404 177.792 175.328 0.100 0.000 1.074 422 H CA 2.371 58.463 56.048 0.075 0.000 1.354 422 H CB -0.136 29.681 29.762 0.091 0.000 1.397 422 H HN -0.737 7.465 8.280 -0.130 0.000 0.516 423 W N 0.471 121.849 121.300 0.130 0.000 2.363 423 W HA -0.505 4.173 4.660 0.030 0.000 0.296 423 W C 1.117 177.620 176.519 -0.026 0.000 1.212 423 W CA 3.552 60.909 57.345 0.021 0.000 1.260 423 W CB -0.086 29.328 29.460 -0.077 0.000 1.131 423 W HN 0.217 8.669 8.180 0.453 0.000 0.530 424 Q N -2.542 117.013 119.800 -0.409 0.000 2.170 424 Q HA -0.394 3.413 4.340 -0.889 0.000 0.203 424 Q C 2.457 178.226 176.000 -0.385 0.000 0.976 424 Q CA 3.445 58.924 55.803 -0.539 0.000 0.858 424 Q CB -0.197 28.398 28.738 -0.238 0.000 0.907 424 Q HN -0.088 8.104 8.270 -0.130 0.000 0.433 425 V N 0.202 120.000 119.914 -0.192 0.000 2.379 425 V HA -0.367 3.696 4.120 -0.093 0.000 0.245 425 V C 1.720 177.754 176.094 -0.100 0.000 1.044 425 V CA 3.603 65.844 62.300 -0.098 0.000 1.036 425 V CB -0.642 31.175 31.823 -0.009 0.000 0.664 425 V HN -0.798 7.316 8.190 -0.115 0.007 0.453 426 I N 1.194 121.688 120.570 -0.126 0.000 2.163 426 I HA -0.638 3.550 4.170 0.030 0.000 0.243 426 I C 1.605 177.611 176.117 -0.184 0.000 1.085 426 I CA 4.944 66.207 61.300 -0.061 0.000 1.347 426 I CB -0.455 37.589 38.000 0.074 0.000 1.044 426 I HN -0.535 7.613 8.210 -0.104 0.000 0.408 427 D N -0.385 119.606 120.400 -0.682 0.000 2.092 427 D HA -0.335 3.952 4.640 -0.587 0.000 0.193 427 D C 1.704 177.813 176.300 -0.319 0.000 0.994 427 D CA 3.243 56.788 54.000 -0.757 0.000 0.828 427 D CB -0.071 39.855 40.800 -1.457 0.000 0.963 427 D HN -0.071 7.708 8.370 -0.985 0.000 0.450 428 A N -1.262 121.394 122.820 -0.274 0.000 1.933 428 A HA -0.259 3.974 4.320 -0.145 0.000 0.218 428 A C 1.995 179.532 177.584 -0.079 0.000 1.175 428 A CA 2.893 54.844 52.037 -0.144 0.000 0.628 428 A CB -0.752 18.177 19.000 -0.117 0.000 0.814 428 A HN -0.533 7.414 8.150 -0.338 0.000 0.444 429 F N -0.592 119.279 119.950 -0.131 0.000 2.102 429 F HA -0.443 4.043 4.527 -0.068 0.000 0.298 429 F C 1.519 177.281 175.800 -0.065 0.000 1.105 429 F CA 3.535 61.486 58.000 -0.082 0.000 1.239 429 F CB 0.302 39.261 39.000 -0.068 0.000 0.991 429 F HN 0.044 8.407 8.300 0.104 0.000 0.474 430 E N -0.409 119.732 120.200 -0.098 0.000 2.077 430 E HA -0.413 3.880 4.350 -0.241 -0.087 0.193 430 E C 2.876 179.350 176.600 -0.209 0.000 0.989 430 E CA 3.118 59.425 56.400 -0.155 0.000 0.800 430 E CB -0.234 29.481 29.700 0.024 0.000 0.746 430 E HN -0.177 8.224 8.360 0.069 0.000 0.452 431 R N -1.076 119.331 120.500 -0.156 0.000 2.075 431 R HA -0.218 4.244 4.340 -0.091 -0.177 0.232 431 R C 2.349 178.550 176.300 -0.164 0.000 1.126 431 R CA 3.146 59.173 56.100 -0.121 0.000 0.963 431 R CB 0.045 30.294 30.300 -0.084 0.000 0.858 431 R HN -0.316 7.872 8.270 -0.137 0.000 0.435 432 A N -1.732 120.958 122.820 -0.217 0.000 1.933 432 A HA -0.180 4.049 4.320 -0.152 0.000 0.218 432 A C 1.930 179.352 177.584 -0.269 0.000 1.175 432 A CA 2.475 54.383 52.037 -0.215 0.000 0.628 432 A CB -0.613 18.265 19.000 -0.202 0.000 0.814 432 A HN -0.355 7.659 8.150 -0.226 0.000 0.444 433 A N -3.105 119.453 122.820 -0.438 0.000 2.019 433 A HA -0.160 3.950 4.320 -0.350 0.000 0.219 433 A C 1.368 178.842 177.584 -0.184 0.000 1.164 433 A CA 2.299 54.102 52.037 -0.389 0.000 0.644 433 A CB -0.297 18.361 19.000 -0.569 0.000 0.805 433 A HN -0.148 7.650 8.150 -0.570 0.010 0.449 434 G N -3.408 105.302 108.800 -0.149 0.000 2.539 434 G HA2 -0.100 3.834 3.960 -0.043 0.000 0.215 434 G HA3 -0.100 3.921 3.960 -0.066 -0.101 0.215 434 G C 1.061 175.935 174.900 -0.043 0.000 1.141 434 G CA 0.641 45.700 45.100 -0.070 0.000 0.806 434 G HN -0.621 7.437 8.290 -0.173 0.129 0.533 435 E N 2.743 122.901 120.200 -0.071 0.000 2.070 435 E HA -0.160 4.163 4.350 -0.044 0.000 0.197 435 E C -0.153 176.417 176.600 -0.051 0.000 1.004 435 E CA 4.270 60.636 56.400 -0.056 0.000 0.805 435 E CB -1.254 28.405 29.700 -0.067 0.000 0.744 435 E HN -0.482 7.820 8.360 -0.097 0.000 0.451 436 P HA -0.133 4.225 4.420 -0.102 0.000 0.225 436 P C 0.249 177.456 177.300 -0.154 0.000 1.148 436 P CA 1.710 64.745 63.100 -0.107 0.000 0.779 436 P CB -0.146 31.478 31.700 -0.127 0.000 0.780 437 H N -4.486 114.554 119.070 -0.050 0.000 2.505 437 H HA 0.208 4.742 4.556 -0.037 0.000 0.286 437 H C 0.182 175.485 175.328 -0.042 0.000 1.072 437 H CA -0.437 55.585 56.048 -0.043 0.000 1.141 437 H CB 0.130 29.866 29.762 -0.044 0.000 1.550 437 H HN -0.713 7.573 8.280 0.058 0.029 0.547 438 G N 0.319 109.154 108.800 0.058 0.000 2.272 438 G HA2 -0.470 3.493 3.960 0.005 0.000 0.280 438 G HA3 -0.470 3.508 3.960 0.030 0.000 0.280 438 G C -1.194 173.715 174.900 0.015 0.000 1.067 438 G CA 0.721 45.836 45.100 0.026 0.000 0.902 438 G HN -0.263 7.877 8.290 0.022 0.164 0.500 439 R N -1.569 118.936 120.500 0.008 0.000 2.740 439 R HA 0.621 5.141 4.340 -0.015 -0.189 0.282 439 R C -1.974 174.313 176.300 -0.022 0.000 0.969 439 R CA -3.502 52.590 56.100 -0.012 0.000 0.918 439 R CB 1.595 31.884 30.300 -0.019 0.000 1.175 439 R HN -0.392 7.783 8.270 0.010 0.101 0.464 440 P HA -0.119 4.289 4.420 -0.020 0.000 0.221 440 P C -1.156 176.131 177.300 -0.022 0.000 1.150 440 P CA 1.515 64.605 63.100 -0.017 0.000 0.800 440 P CB 0.612 32.310 31.700 -0.003 0.000 0.787 441 R N -7.836 112.648 120.500 -0.026 0.000 2.728 441 R HA 0.247 4.691 4.340 -0.069 -0.145 0.274 441 R C -2.650 173.621 176.300 -0.047 0.000 1.032 441 R CA -0.751 55.325 56.100 -0.040 0.000 0.866 441 R CB 2.839 33.136 30.300 -0.005 0.000 1.263 441 R HN -0.700 7.555 8.270 -0.025 0.000 0.475 442 V N 1.788 121.662 119.914 -0.067 0.000 2.350 442 V HA 0.294 4.382 4.120 -0.054 0.000 0.285 442 V C -0.860 175.227 176.094 -0.012 0.000 1.014 442 V CA -2.238 60.030 62.300 -0.053 0.000 0.831 442 V CB 1.649 33.435 31.823 -0.062 0.000 1.000 442 V HN 0.005 8.136 8.190 -0.097 0.000 0.433 443 K N 6.251 126.649 120.400 -0.004 0.000 2.270 443 K HA -0.107 4.419 4.320 0.068 -0.165 0.276 443 K C -0.339 176.297 176.600 0.060 0.000 1.023 443 K CA -0.439 55.871 56.287 0.038 0.000 0.955 443 K CB 0.502 33.014 32.500 0.020 0.000 0.975 443 K HN 0.103 8.335 8.250 -0.031 0.000 0.471 444 L N 3.420 124.708 121.223 0.109 0.000 2.369 444 L HA -0.030 4.376 4.340 0.109 0.000 0.279 444 L C -0.142 176.780 176.870 0.087 0.000 1.108 444 L CA -0.295 54.610 54.840 0.109 0.000 0.852 444 L CB 0.249 42.380 42.059 0.118 0.000 1.169 444 L HN -0.057 8.555 8.230 0.129 -0.305 0.452 445 A N 1.530 124.406 122.820 0.094 0.000 2.308 445 A HA 0.193 4.728 4.320 0.118 -0.145 0.217 445 A C -0.693 176.986 177.584 0.157 0.000 1.216 445 A CA -0.024 52.093 52.037 0.133 0.000 0.864 445 A CB 0.286 19.392 19.000 0.177 0.000 0.902 445 A HN 0.448 8.656 8.150 0.096 0.000 0.499 446 S N -4.498 111.272 115.700 0.117 0.000 2.627 446 S HA 0.185 4.732 4.470 0.129 0.000 0.283 446 S C 0.183 174.830 174.600 0.080 0.000 1.127 446 S CA -1.929 56.335 58.200 0.107 0.000 0.863 446 S CB 2.890 66.143 63.200 0.090 0.000 1.121 446 S HN -0.805 7.564 8.310 0.098 0.000 0.479 447 L N 2.744 124.014 121.223 0.080 0.000 2.012 447 L HA -0.327 4.048 4.340 0.058 0.000 0.210 447 L C 0.791 177.682 176.870 0.034 0.000 1.073 447 L CA 3.570 58.446 54.840 0.060 0.000 0.748 447 L CB -0.115 41.984 42.059 0.066 0.000 0.891 447 L HN 0.648 8.933 8.230 0.093 0.000 0.431 448 A N -3.181 119.657 122.820 0.029 0.000 1.908 448 A HA -0.388 3.933 4.320 0.001 0.000 0.218 448 A C 2.186 179.770 177.584 -0.001 0.000 1.181 448 A CA 3.152 55.194 52.037 0.010 0.000 0.627 448 A CB -1.019 17.987 19.000 0.010 0.000 0.818 448 A HN 0.069 8.241 8.150 0.036 0.000 0.445 449 E N -1.502 118.705 120.200 0.013 0.000 2.072 449 E HA -0.271 4.066 4.350 -0.022 0.000 0.191 449 E C 2.563 179.153 176.600 -0.017 0.000 0.985 449 E CA 2.560 58.958 56.400 -0.002 0.000 0.801 449 E CB -0.206 29.511 29.700 0.029 0.000 0.750 449 E HN -0.674 7.704 8.360 0.029 0.000 0.452 450 L N -0.497 120.735 121.223 0.015 0.000 2.012 450 L HA -0.358 4.000 4.340 0.030 0.000 0.210 450 L C 2.352 179.217 176.870 -0.009 0.000 1.073 450 L CA 3.426 58.280 54.840 0.024 0.000 0.748 450 L CB -0.168 41.925 42.059 0.056 0.000 0.891 450 L HN -0.220 8.028 8.230 0.031 0.000 0.431 451 L N -3.349 117.862 121.223 -0.020 0.000 2.156 451 L HA -0.353 3.954 4.340 -0.055 0.000 0.208 451 L C 2.285 179.104 176.870 -0.084 0.000 1.095 451 L CA 2.655 57.464 54.840 -0.051 0.000 0.770 451 L CB -0.809 41.224 42.059 -0.045 0.000 0.914 451 L HN 0.074 8.299 8.230 -0.009 0.000 0.439 452 R N 0.268 120.720 120.500 -0.080 0.000 2.091 452 R HA -0.362 3.923 4.340 -0.091 0.000 0.238 452 R C 2.293 178.505 176.300 -0.146 0.000 1.136 452 R CA 3.508 59.547 56.100 -0.102 0.000 0.959 452 R CB -0.136 30.108 30.300 -0.093 0.000 0.856 452 R HN -0.333 7.899 8.270 -0.063 0.000 0.437 453 I N -3.555 116.904 120.570 -0.186 0.000 2.277 453 I HA -0.159 3.838 4.170 -0.288 0.000 0.243 453 I C 2.853 178.878 176.117 -0.153 0.000 1.094 453 I CA 1.460 62.607 61.300 -0.256 0.000 1.393 453 I CB -0.805 36.944 38.000 -0.418 0.000 1.078 453 I HN -0.636 7.474 8.210 -0.167 0.000 0.417 454 G N -0.093 108.647 108.800 -0.100 0.000 2.408 454 G HA2 -0.211 3.744 3.960 -0.008 0.000 0.217 454 G HA3 -0.211 3.739 3.960 -0.016 0.000 0.217 454 G C 0.227 175.015 174.900 -0.186 0.000 1.150 454 G CA 2.001 47.067 45.100 -0.056 0.000 0.776 454 G HN 0.030 8.268 8.290 -0.088 0.000 0.542 455 L N -2.589 118.485 121.223 -0.248 0.000 2.667 455 L HA 0.234 4.192 4.340 -0.637 0.000 0.232 455 L C 0.134 176.891 176.870 -0.188 0.000 1.138 455 L CA -1.224 53.398 54.840 -0.363 0.000 0.921 455 L CB -0.280 41.600 42.059 -0.297 0.000 1.180 455 L HN -0.174 7.945 8.230 -0.185 0.000 0.487 456 G N 0.000 108.722 108.800 -0.130 0.000 5.446 456 G HA2 0.000 nan 3.960 nan 0.000 0.244 456 G HA3 0.000 4.013 3.960 -0.096 -0.111 0.244 456 G CA 0.000 45.047 45.100 -0.088 0.000 0.502 456 G HN 0.000 8.047 8.290 -0.133 0.164 0.925