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 3lo8_1_A DATA FIRST_RESID 8 DATA SEQUENCE SKVSVAPLHL ESAKEPPLNT YKPKEPFTAT IVSVESLVGP KAPGETCHIV DATA SEQUENCE IDHGGNVPYW EGQSYGVIPP GENPKKPGAP QNVRLYSIAS TRYGDNFDGR DATA SEQUENCE TGSLCVRRAV YYDPETGKED PSKNGVCSNF LCNSKPGDKI QLTGPSGKIM DATA SEQUENCE LLPEEDPNAT HIMIATGTGV APFRGYLRRM FMEDVPNYRF GGLAWLFLGV DATA SEQUENCE ANSDSLLYDE EFTSYLKQYP DNFRYDKALS REQXXXXXXX MYVQDKIEEY DATA SEQUENCE SDEIFKLLDG GAHIYFCGLK GMMPGIQDTL KKVAERRGES WDQKLAQLKK DATA SEQUENCE NKQWHVEVY 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 8 S HA 0.000 4.457 4.470 -0.022 0.000 0.327 8 S C 0.000 174.607 174.600 0.012 0.000 1.055 8 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 8 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 9 K N 1.970 122.383 120.400 0.022 0.000 2.202 9 K HA 0.082 4.520 4.320 0.046 -0.091 0.264 9 K C -0.135 176.415 176.600 -0.083 0.000 1.010 9 K CA -0.731 55.562 56.287 0.011 0.000 0.940 9 K CB 0.833 33.351 32.500 0.031 0.000 0.983 9 K HN -0.428 7.836 8.250 0.023 0.000 0.475 10 V N 2.842 122.663 119.914 -0.156 0.000 2.530 10 V HA 0.008 3.953 4.120 -0.291 0.000 0.282 10 V C -0.034 175.872 176.094 -0.313 0.000 1.048 10 V CA -0.199 61.904 62.300 -0.328 0.000 0.997 10 V CB 0.597 32.032 31.823 -0.646 0.000 0.987 10 V HN 0.272 8.391 8.190 -0.119 0.000 0.477 11 S N 6.393 121.928 115.700 -0.276 0.000 2.533 11 S HA -0.053 4.299 4.470 -0.197 0.000 0.282 11 S C -0.661 173.788 174.600 -0.251 0.000 1.304 11 S CA 0.285 58.353 58.200 -0.220 0.000 1.063 11 S CB 0.131 63.240 63.200 -0.151 0.000 0.881 11 S HN 0.303 8.456 8.310 -0.260 0.000 0.493 12 V N 2.240 121.987 119.914 -0.279 0.000 2.864 12 V HA 0.646 4.819 4.120 -0.147 -0.142 0.314 12 V C -1.978 173.919 176.094 -0.328 0.000 1.073 12 V CA -2.659 59.431 62.300 -0.350 0.000 0.956 12 V CB 2.933 34.285 31.823 -0.784 0.000 1.023 12 V HN 0.175 8.192 8.190 -0.288 0.000 0.435 13 A N 3.149 125.878 122.820 -0.152 0.000 2.587 13 A HA 0.579 4.861 4.320 -0.063 0.000 0.293 13 A C -3.382 174.283 177.584 0.136 0.000 1.087 13 A CA -2.077 49.945 52.037 -0.026 0.000 0.692 13 A CB 2.184 21.179 19.000 -0.008 0.000 1.291 13 A HN 0.043 8.160 8.150 -0.056 0.000 0.407 14 P HA 0.295 4.686 4.420 -0.048 0.000 0.288 14 P C 0.265 177.523 177.300 -0.069 0.000 1.267 14 P CA -0.465 62.566 63.100 -0.115 0.000 0.815 14 P CB 1.956 33.433 31.700 -0.371 0.000 0.989 15 L N 3.563 124.777 121.223 -0.015 0.000 2.353 15 L HA -0.300 4.110 4.340 0.118 0.000 0.220 15 L C 2.639 179.549 176.870 0.067 0.000 1.133 15 L CA 1.993 56.864 54.840 0.052 0.000 0.798 15 L CB -0.627 41.449 42.059 0.028 0.000 0.922 15 L HN 0.559 8.779 8.230 -0.016 0.000 0.445 16 H N -0.764 118.358 119.070 0.087 0.000 2.543 16 H HA -0.069 4.518 4.556 0.051 0.000 0.286 16 H C 2.401 177.760 175.328 0.051 0.000 1.037 16 H CA 0.575 56.659 56.048 0.060 0.000 1.250 16 H CB -0.659 29.132 29.762 0.047 0.000 1.373 16 H HN 0.473 nan 8.280 nan 0.000 0.580 17 L N 0.701 121.889 121.223 -0.058 0.000 2.456 17 L HA -0.261 4.100 4.340 0.035 0.000 0.224 17 L C 1.347 178.193 176.870 -0.041 0.000 1.148 17 L CA 1.300 56.103 54.840 -0.062 0.000 0.825 17 L CB -0.296 41.571 42.059 -0.319 0.000 0.937 17 L HN -0.150 7.917 8.230 -0.196 0.045 0.450 18 E N -2.750 117.456 120.200 0.010 0.000 2.478 18 E HA -0.043 4.227 4.350 -0.134 0.000 0.194 18 E C 1.020 177.627 176.600 0.011 0.000 1.045 18 E CA 0.826 57.205 56.400 -0.035 0.000 0.868 18 E CB -0.483 29.217 29.700 0.000 0.000 0.885 18 E HN -0.345 7.997 8.360 0.053 0.049 0.505 19 S N -0.475 115.273 115.700 0.080 0.000 2.446 19 S HA -0.038 4.473 4.470 0.068 0.000 0.225 19 S C -0.695 173.975 174.600 0.117 0.000 1.016 19 S CA 1.195 59.449 58.200 0.090 0.000 0.943 19 S CB 0.718 63.980 63.200 0.102 0.000 0.786 19 S HN -0.484 7.721 8.310 0.104 0.168 0.508 20 A N 0.278 123.202 122.820 0.173 0.000 2.498 20 A HA 0.041 4.450 4.320 0.148 0.000 0.239 20 A C -0.513 177.259 177.584 0.313 0.000 1.068 20 A CA 0.391 52.560 52.037 0.220 0.000 0.766 20 A CB 0.678 19.832 19.000 0.257 0.000 1.003 20 A HN -0.371 7.886 8.150 0.178 0.000 0.497 21 K N -0.202 120.331 120.400 0.221 0.000 2.379 21 K HA -0.010 4.472 4.320 0.270 0.000 0.194 21 K C -0.680 176.077 176.600 0.262 0.000 1.031 21 K CA 0.396 56.822 56.287 0.232 0.000 1.037 21 K CB 0.280 32.851 32.500 0.119 0.000 0.824 21 K HN 0.240 8.579 8.250 0.148 0.000 0.516 22 E N -0.941 119.302 120.200 0.071 0.000 2.367 22 E HA 0.328 4.509 4.350 -0.281 0.000 0.273 22 E C -2.698 173.381 176.600 -0.867 0.000 0.903 22 E CA -2.931 53.294 56.400 -0.292 0.000 0.764 22 E CB 1.364 30.948 29.700 -0.193 0.000 1.252 22 E HN -0.421 7.941 8.360 0.076 0.044 0.446 23 P HA 0.193 3.060 4.420 -2.590 0.000 0.274 23 P C -2.485 174.379 177.300 -0.725 0.000 1.231 23 P CA -1.515 60.594 63.100 -1.652 0.000 0.790 23 P CB -0.259 30.734 31.700 -1.178 0.000 0.951 24 P HA -0.068 4.221 4.420 -0.217 0.000 0.271 24 P C -1.110 176.077 177.300 -0.189 0.000 1.218 24 P CA -0.273 62.677 63.100 -0.249 0.000 0.780 24 P CB 0.899 32.512 31.700 -0.144 0.000 0.901 25 L N 0.495 121.642 121.223 -0.127 0.000 2.470 25 L HA 0.104 4.576 4.340 -0.069 -0.173 0.268 25 L C -0.891 175.948 176.870 -0.052 0.000 0.964 25 L CA -0.472 54.318 54.840 -0.084 0.000 0.839 25 L CB 2.900 44.905 42.059 -0.090 0.000 1.276 25 L HN -0.269 7.888 8.230 -0.123 0.000 0.403 26 N N 0.658 119.349 118.700 -0.015 0.000 2.735 26 N HA -0.377 4.380 4.740 0.027 0.000 0.248 26 N C -0.225 175.268 175.510 -0.029 0.000 1.083 26 N CA 1.248 54.296 53.050 -0.003 0.000 0.703 26 N CB -1.254 37.222 38.487 -0.017 0.000 1.005 26 N HN 0.745 9.124 8.380 -0.001 0.000 0.550 27 T N -1.587 112.952 114.554 -0.025 0.000 2.720 27 T HA -0.383 3.864 4.350 -0.172 0.000 0.268 27 T C -0.112 174.394 174.700 -0.324 0.000 1.037 27 T CA 3.602 65.622 62.100 -0.133 0.000 1.144 27 T CB 0.456 69.306 68.868 -0.031 0.000 0.864 27 T HN -0.631 7.595 8.240 0.013 0.022 0.444 28 Y N -0.549 119.765 120.300 0.025 0.000 2.429 28 Y HA 0.109 4.686 4.550 0.045 0.000 0.342 28 Y C -1.637 174.282 175.900 0.031 0.000 1.004 28 Y CA -0.293 57.833 58.100 0.044 0.000 1.075 28 Y CB 2.714 41.222 38.460 0.081 0.000 1.214 28 Y HN -0.595 7.807 8.280 0.203 0.000 0.455 29 K N 2.236 122.727 120.400 0.152 0.000 2.295 29 K HA 0.479 4.846 4.320 0.077 0.000 0.239 29 K C -1.703 174.950 176.600 0.088 0.000 0.991 29 K CA -3.101 53.238 56.287 0.087 0.000 0.845 29 K CB 0.394 32.916 32.500 0.037 0.000 1.197 29 K HN 0.269 8.617 8.250 0.163 0.000 0.441 30 P HA -0.206 4.239 4.420 0.042 0.000 0.218 30 P C -0.253 177.066 177.300 0.032 0.000 1.148 30 P CA 2.145 65.268 63.100 0.039 0.000 0.822 30 P CB 0.201 31.913 31.700 0.021 0.000 0.784 31 K N -4.228 116.191 120.400 0.031 0.000 2.288 31 K HA -0.112 4.216 4.320 0.014 0.000 0.201 31 K C 0.222 176.843 176.600 0.035 0.000 1.048 31 K CA 1.014 57.314 56.287 0.023 0.000 0.956 31 K CB 0.083 32.593 32.500 0.016 0.000 0.746 31 K HN -0.155 8.114 8.250 0.031 0.000 0.461 32 E N -2.649 117.591 120.200 0.067 0.000 3.352 32 E HA 0.453 4.843 4.350 0.066 0.000 0.254 32 E C -2.586 174.118 176.600 0.173 0.000 1.229 32 E CA -2.760 53.698 56.400 0.096 0.000 0.949 32 E CB 0.620 30.379 29.700 0.098 0.000 1.373 32 E HN -0.585 7.789 8.360 0.076 0.032 0.392 33 P HA 0.026 4.558 4.420 0.185 0.000 0.274 33 P C -1.410 175.900 177.300 0.016 0.000 1.256 33 P CA -0.432 62.730 63.100 0.104 0.000 0.795 33 P CB 0.743 32.452 31.700 0.016 0.000 1.038 34 F N 1.345 121.079 119.950 -0.361 0.000 2.410 34 F HA 0.147 4.353 4.527 -0.536 0.000 0.348 34 F C -1.138 174.484 175.800 -0.296 0.000 1.106 34 F CA -0.787 56.846 58.000 -0.611 0.000 1.163 34 F CB 2.217 40.513 39.000 -1.174 0.000 1.129 34 F HN 0.271 8.513 8.300 -0.097 0.000 0.516 35 T N 11.172 125.107 114.554 -1.033 0.000 2.863 35 T HA 0.218 4.575 4.350 -0.400 -0.247 0.299 35 T C -0.777 173.457 174.700 -0.778 0.000 0.973 35 T CA 0.098 61.799 62.100 -0.665 0.000 0.994 35 T CB -0.289 68.317 68.868 -0.436 0.000 0.961 35 T HN 0.360 7.880 8.240 -1.199 0.000 0.552 36 A N 8.199 130.828 122.820 -0.318 0.000 2.242 36 A HA 0.438 4.809 4.320 0.084 0.000 0.304 36 A C -1.519 176.035 177.584 -0.049 0.000 1.100 36 A CA -1.520 50.507 52.037 -0.017 0.000 0.860 36 A CB 2.967 22.047 19.000 0.134 0.000 1.168 36 A HN 0.427 8.445 8.150 -0.220 0.000 0.503 37 T N 0.883 115.438 114.554 0.001 0.000 2.848 37 T HA 0.658 5.161 4.350 -0.041 -0.177 0.285 37 T C -0.615 174.070 174.700 -0.025 0.000 0.995 37 T CA -1.111 60.975 62.100 -0.024 0.000 0.970 37 T CB 2.415 71.272 68.868 -0.019 0.000 0.976 37 T HN -0.166 8.103 8.240 0.049 0.000 0.441 38 I N 6.605 127.145 120.570 -0.051 0.000 2.618 38 I HA -0.234 4.014 4.170 -0.064 -0.117 0.284 38 I C 0.369 176.461 176.117 -0.043 0.000 1.146 38 I CA 0.970 62.231 61.300 -0.064 0.000 1.425 38 I CB -1.105 36.834 38.000 -0.102 0.000 1.383 38 I HN 0.782 8.957 8.210 -0.058 0.000 0.562 39 V N 8.442 128.335 119.914 -0.035 0.000 2.492 39 V HA -0.128 3.981 4.120 -0.020 0.000 0.241 39 V C 0.018 176.099 176.094 -0.023 0.000 1.041 39 V CA 1.254 63.541 62.300 -0.022 0.000 1.057 39 V CB 0.405 32.221 31.823 -0.012 0.000 0.711 39 V HN 0.685 8.852 8.190 -0.038 0.000 0.468 40 S N -3.908 111.775 115.700 -0.028 0.000 2.547 40 S HA 0.180 4.637 4.470 -0.022 0.000 0.270 40 S C -2.809 171.772 174.600 -0.032 0.000 1.150 40 S CA -0.163 58.027 58.200 -0.018 0.000 0.850 40 S CB 2.879 66.086 63.200 0.012 0.000 1.118 40 S HN -0.623 7.665 8.310 -0.037 0.000 0.461 41 V N 1.385 121.283 119.914 -0.027 0.000 2.623 41 V HA 0.853 5.147 4.120 -0.033 -0.193 0.304 41 V C -0.713 175.380 176.094 -0.002 0.000 1.054 41 V CA -0.985 61.295 62.300 -0.033 0.000 0.882 41 V CB 2.931 34.709 31.823 -0.074 0.000 1.002 41 V HN 0.352 8.529 8.190 -0.021 0.000 0.424 42 E N 3.720 123.937 120.200 0.028 0.000 2.356 42 E HA 0.417 4.771 4.350 0.007 0.000 0.275 42 E C -2.012 174.601 176.600 0.022 0.000 0.904 42 E CA -2.173 54.241 56.400 0.024 0.000 0.757 42 E CB 3.935 33.654 29.700 0.033 0.000 1.232 42 E HN 0.025 8.415 8.360 0.048 0.000 0.442 43 S N 0.992 116.693 115.700 0.001 0.000 2.549 43 S HA 0.115 4.833 4.470 -0.004 -0.250 0.279 43 S C 0.620 175.202 174.600 -0.029 0.000 1.321 43 S CA 0.575 58.770 58.200 -0.008 0.000 1.054 43 S CB 0.227 63.422 63.200 -0.008 0.000 0.899 43 S HN 0.229 8.538 8.310 -0.002 0.000 0.497 44 L N 5.157 126.347 121.223 -0.055 0.000 2.567 44 L HA 0.274 4.531 4.340 -0.137 0.000 0.225 44 L C -0.487 176.325 176.870 -0.096 0.000 1.119 44 L CA 0.316 55.081 54.840 -0.125 0.000 0.871 44 L CB 0.387 42.306 42.059 -0.234 0.000 1.036 44 L HN 0.435 8.745 8.230 -0.041 -0.105 0.459 45 V N -7.592 112.292 119.914 -0.049 0.000 3.074 45 V HA 0.605 4.782 4.120 -0.032 -0.077 0.314 45 V C -0.668 175.417 176.094 -0.014 0.000 1.117 45 V CA -3.118 59.166 62.300 -0.027 0.000 1.014 45 V CB 3.213 35.031 31.823 -0.009 0.000 1.057 45 V HN -0.721 7.381 8.190 -0.037 0.065 0.438 46 G N -0.422 108.375 108.800 -0.006 0.000 2.535 46 G HA2 0.530 4.488 3.960 -0.005 0.000 0.303 46 G HA3 0.530 4.489 3.960 -0.002 0.000 0.303 46 G C -0.831 174.071 174.900 0.003 0.000 1.237 46 G CA -1.911 43.188 45.100 -0.002 0.000 0.986 46 G HN 0.146 8.434 8.290 -0.004 0.000 0.494 47 P HA -0.101 4.322 4.420 0.006 0.000 0.222 47 P C -0.343 176.959 177.300 0.003 0.000 1.147 47 P CA 1.174 64.276 63.100 0.004 0.000 0.790 47 P CB 0.317 32.018 31.700 0.002 0.000 0.780 48 K N -4.338 116.064 120.400 0.003 0.000 2.404 48 K HA 0.032 4.351 4.320 -0.002 0.000 0.194 48 K C -0.346 176.257 176.600 0.006 0.000 1.023 48 K CA -0.519 55.769 56.287 0.002 0.000 1.094 48 K CB 0.309 32.809 32.500 0.001 0.000 0.841 48 K HN -0.351 8.175 8.250 0.003 -0.274 0.523 49 A N 1.130 123.957 122.820 0.012 0.000 2.462 49 A HA 0.112 4.445 4.320 0.022 0.000 0.243 49 A C -1.285 176.312 177.584 0.023 0.000 1.076 49 A CA -1.417 50.632 52.037 0.021 0.000 0.773 49 A CB -0.228 18.786 19.000 0.024 0.000 1.010 49 A HN -0.780 7.321 8.150 0.011 0.055 0.493 50 P HA -0.106 4.315 4.420 0.003 0.000 0.223 50 P C -0.565 176.766 177.300 0.052 0.000 1.151 50 P CA 0.658 63.773 63.100 0.025 0.000 0.787 50 P CB 0.488 32.208 31.700 0.033 0.000 0.788 51 G N -1.622 107.220 108.800 0.069 0.000 2.645 51 G HA2 0.033 4.053 3.960 0.099 0.000 0.292 51 G HA3 0.033 4.063 3.960 0.115 0.000 0.292 51 G C -2.302 172.639 174.900 0.068 0.000 1.415 51 G CA -1.299 43.856 45.100 0.092 0.000 0.785 51 G HN -0.781 7.528 8.290 0.062 0.018 0.483 52 E N -0.617 119.623 120.200 0.067 0.000 2.283 52 E HA 0.111 4.483 4.350 0.036 0.000 0.278 52 E C -1.011 175.617 176.600 0.047 0.000 1.027 52 E CA -0.815 55.612 56.400 0.045 0.000 0.843 52 E CB 0.676 30.399 29.700 0.038 0.000 1.062 52 E HN 0.065 8.472 8.360 0.078 0.000 0.401 53 T N 6.399 120.972 114.554 0.032 0.000 2.824 53 T HA 0.615 5.189 4.350 0.044 -0.198 0.282 53 T C -1.174 173.532 174.700 0.011 0.000 0.993 53 T CA -0.888 61.231 62.100 0.032 0.000 0.967 53 T CB 2.355 71.245 68.868 0.038 0.000 0.960 53 T HN 0.118 8.371 8.240 0.022 0.000 0.441 54 C N 4.345 123.655 119.300 0.017 0.000 2.562 54 C HA 0.663 5.259 4.460 0.021 -0.124 0.332 54 C C 0.195 175.225 174.990 0.066 0.000 1.201 54 C CA -1.298 57.731 59.018 0.019 0.000 1.803 54 C CB 1.220 28.953 27.740 -0.012 0.000 2.328 54 C HN 0.798 9.040 8.230 0.019 0.000 0.500 55 H N 4.159 123.219 119.070 -0.016 0.000 2.504 55 H HA 0.730 5.325 4.556 0.064 0.000 0.322 55 H C -1.292 174.035 175.328 -0.003 0.000 1.055 55 H CA -0.910 55.158 56.048 0.034 0.000 1.231 55 H CB 0.847 30.661 29.762 0.087 0.000 1.417 55 H HN 0.454 nan 8.280 nan 0.000 0.472 56 I N 6.764 127.136 120.570 -0.330 0.000 2.406 56 I HA 0.302 4.537 4.170 -0.161 -0.162 0.290 56 I C -1.531 174.411 176.117 -0.292 0.000 0.999 56 I CA -0.548 60.606 61.300 -0.242 0.000 1.124 56 I CB 2.111 39.981 38.000 -0.216 0.000 1.289 56 I HN 0.428 8.384 8.210 -0.423 0.000 0.441 57 V N 7.317 127.133 119.914 -0.162 0.000 2.398 57 V HA 0.416 4.612 4.120 -0.116 -0.145 0.286 57 V C -1.171 174.894 176.094 -0.048 0.000 1.026 57 V CA -1.031 61.213 62.300 -0.094 0.000 0.868 57 V CB 1.656 33.462 31.823 -0.028 0.000 0.982 57 V HN 0.431 8.552 8.190 -0.115 0.000 0.443 58 I N 7.074 127.643 120.570 -0.001 0.000 2.436 58 I HA 0.305 4.589 4.170 -0.008 -0.119 0.289 58 I C -2.138 174.026 176.117 0.079 0.000 1.010 58 I CA -1.391 59.923 61.300 0.024 0.000 1.098 58 I CB 3.119 41.130 38.000 0.019 0.000 1.266 58 I HN 0.931 9.154 8.210 0.021 0.000 0.434 59 D N 5.896 126.326 120.400 0.050 0.000 2.339 59 D HA 0.249 5.029 4.640 -0.006 -0.143 0.241 59 D C 1.509 177.877 176.300 0.113 0.000 1.183 59 D CA -0.628 53.392 54.000 0.033 0.000 0.859 59 D CB 0.652 41.458 40.800 0.010 0.000 1.067 59 D HN 0.309 8.697 8.370 0.030 0.000 0.484 60 H N 6.476 125.594 119.070 0.079 0.000 2.551 60 H HA 0.183 4.848 4.556 0.181 0.000 0.271 60 H C 1.193 176.478 175.328 -0.071 0.000 0.984 60 H CA -0.647 55.406 56.048 0.010 0.000 1.164 60 H CB 0.440 30.132 29.762 -0.117 0.000 1.437 60 H HN 0.248 nan 8.280 nan 0.000 0.550 61 G N 0.487 109.152 108.800 -0.224 0.000 2.166 61 G HA2 -0.432 3.522 3.960 -0.099 0.000 0.260 61 G HA3 -0.432 3.536 3.960 0.013 0.000 0.260 61 G C 0.183 174.999 174.900 -0.141 0.000 0.986 61 G CA 0.233 45.263 45.100 -0.117 0.000 0.683 61 G HN 0.045 8.328 8.290 -0.271 -0.156 0.527 62 G N -2.489 106.135 108.800 -0.294 0.000 2.179 62 G HA2 -0.356 3.792 3.960 0.092 0.000 0.260 62 G HA3 -0.356 3.615 3.960 0.019 0.000 0.260 62 G C 0.154 175.150 174.900 0.160 0.000 0.977 62 G CA 0.892 46.004 45.100 0.020 0.000 0.641 62 G HN -0.473 7.300 8.290 -0.796 0.040 0.533 63 N N -0.432 118.317 118.700 0.082 0.000 2.446 63 N HA -0.011 4.742 4.740 0.022 0.000 0.179 63 N C -0.684 174.807 175.510 -0.031 0.000 1.054 63 N CA 1.330 54.333 53.050 -0.079 0.000 0.905 63 N CB 1.053 39.234 38.487 -0.510 0.000 0.973 63 N HN -0.261 7.962 8.380 0.025 0.172 0.448 64 V N -0.541 119.357 119.914 -0.026 0.000 2.454 64 V HA 0.409 4.554 4.120 0.043 0.000 0.255 64 V C -2.325 173.644 176.094 -0.208 0.000 1.009 64 V CA -4.426 57.797 62.300 -0.130 0.000 1.149 64 V CB -0.583 31.099 31.823 -0.235 0.000 1.418 64 V HN -0.502 7.848 8.190 0.334 0.040 0.567 65 P HA -0.019 4.288 4.420 -0.188 0.000 0.272 65 P C -2.030 175.267 177.300 -0.004 0.000 1.240 65 P CA -0.240 62.810 63.100 -0.084 0.000 0.791 65 P CB 0.981 32.669 31.700 -0.020 0.000 0.978 66 Y N -5.799 114.472 120.300 -0.047 0.000 2.705 66 Y HA 0.388 4.969 4.550 -0.080 -0.079 0.332 66 Y C -2.542 173.460 175.900 0.170 0.000 1.221 66 Y CA -2.134 55.935 58.100 -0.052 0.000 1.059 66 Y CB 1.626 39.947 38.460 -0.231 0.000 1.298 66 Y HN -0.318 7.580 8.280 -0.637 0.000 0.459 67 W N -1.328 119.979 121.300 0.013 0.000 2.578 67 W HA 0.293 4.863 4.660 -0.149 0.000 0.353 67 W C -0.150 176.421 176.519 0.087 0.000 1.088 67 W CA -2.529 54.789 57.345 -0.044 0.000 1.235 67 W CB 2.129 31.547 29.460 -0.071 0.000 1.362 67 W HN 0.510 9.254 8.180 0.334 -0.364 0.592 68 E N -0.137 120.194 120.200 0.219 0.000 2.452 68 E HA -0.245 4.217 4.350 0.186 0.000 0.261 68 E C 1.429 178.147 176.600 0.197 0.000 0.987 68 E CA 2.209 58.714 56.400 0.176 0.000 0.926 68 E CB -0.238 29.527 29.700 0.109 0.000 0.934 68 E HN 0.413 8.828 8.360 0.092 0.000 0.452 69 G N 1.880 110.746 108.800 0.110 0.000 2.195 69 G HA2 -0.467 3.473 3.960 -0.033 0.000 0.246 69 G HA3 -0.467 3.815 3.960 0.193 -0.207 0.246 69 G C -0.392 174.513 174.900 0.009 0.000 0.984 69 G CA 0.026 45.171 45.100 0.076 0.000 0.633 69 G HN 0.650 8.961 8.290 0.036 0.000 0.525 70 Q N -0.025 119.771 119.800 -0.008 0.000 2.316 70 Q HA 0.089 4.405 4.340 -0.039 0.000 0.215 70 Q C -0.891 175.001 176.000 -0.181 0.000 1.020 70 Q CA 0.315 56.076 55.803 -0.070 0.000 0.970 70 Q CB 1.669 30.378 28.738 -0.048 0.000 1.187 70 Q HN -0.620 7.599 8.270 0.036 0.073 0.546 71 S N -1.913 113.690 115.700 -0.162 0.000 2.568 71 S HA 0.719 5.199 4.470 -0.202 -0.131 0.302 71 S C -1.025 173.505 174.600 -0.116 0.000 1.082 71 S CA -0.453 57.651 58.200 -0.159 0.000 1.009 71 S CB 2.689 65.833 63.200 -0.094 0.000 1.069 71 S HN -0.018 8.224 8.310 -0.114 0.000 0.500 72 Y N 1.548 121.787 120.300 -0.101 0.000 2.352 72 Y HA 0.336 4.849 4.550 -0.062 0.000 0.326 72 Y C 0.330 176.233 175.900 0.005 0.000 1.166 72 Y CA -2.142 55.923 58.100 -0.057 0.000 1.182 72 Y CB 2.428 40.845 38.460 -0.072 0.000 1.216 72 Y HN 0.204 8.477 8.280 -0.011 0.000 0.474 73 G N -0.433 108.480 108.800 0.188 0.000 2.389 73 G HA2 0.555 4.759 3.960 0.110 0.000 0.317 73 G HA3 0.555 4.565 3.960 0.084 0.000 0.317 73 G C -2.202 172.771 174.900 0.122 0.000 1.137 73 G CA -1.329 43.843 45.100 0.121 0.000 0.870 73 G HN 0.440 8.847 8.290 0.194 0.000 0.496 74 V N 3.378 123.388 119.914 0.161 0.000 2.588 74 V HA 0.666 5.027 4.120 0.089 -0.187 0.304 74 V C -1.266 174.889 176.094 0.101 0.000 1.042 74 V CA -1.933 60.454 62.300 0.144 0.000 0.877 74 V CB 3.284 35.237 31.823 0.218 0.000 0.996 74 V HN 0.425 8.725 8.190 0.182 0.000 0.425 75 I N 7.463 128.057 120.570 0.040 0.000 2.306 75 I HA 0.380 4.543 4.170 -0.012 0.000 0.288 75 I C -2.084 173.965 176.117 -0.113 0.000 1.036 75 I CA -2.797 58.490 61.300 -0.021 0.000 1.221 75 I CB 0.742 38.723 38.000 -0.031 0.000 1.385 75 I HN 0.081 8.313 8.210 0.037 0.000 0.472 76 P HA 0.241 4.143 4.420 -0.864 0.000 0.274 76 P C -2.501 174.521 177.300 -0.464 0.000 1.246 76 P CA -1.783 61.007 63.100 -0.515 0.000 0.795 76 P CB -0.761 30.729 31.700 -0.351 0.000 1.006 77 P HA -0.136 4.124 4.420 -0.267 0.000 0.272 77 P C -0.532 176.633 177.300 -0.225 0.000 1.240 77 P CA -0.040 62.849 63.100 -0.350 0.000 0.791 77 P CB 0.242 31.737 31.700 -0.342 0.000 0.978 78 G N -1.609 107.104 108.800 -0.145 0.000 2.603 78 G HA2 -0.256 3.654 3.960 -0.082 0.000 0.686 78 G HA3 -0.256 3.644 3.960 -0.099 0.000 0.686 78 G C -1.984 172.869 174.900 -0.079 0.000 1.286 78 G CA -0.788 44.252 45.100 -0.099 0.000 0.871 78 G HN 0.029 8.237 8.290 -0.135 0.000 0.568 79 E N 0.778 120.942 120.200 -0.059 0.000 2.383 79 E HA -0.196 4.281 4.350 -0.046 -0.155 0.264 79 E C -0.164 176.408 176.600 -0.046 0.000 1.050 79 E CA -0.670 55.702 56.400 -0.047 0.000 0.896 79 E CB 1.176 30.854 29.700 -0.037 0.000 0.982 79 E HN -0.024 8.303 8.360 -0.055 0.000 0.424 80 N N 5.890 124.567 118.700 -0.040 0.000 2.427 80 N HA 0.095 4.813 4.740 -0.037 0.000 0.269 80 N C -0.736 174.757 175.510 -0.030 0.000 1.235 80 N CA -1.125 51.905 53.050 -0.034 0.000 0.934 80 N CB 0.261 38.731 38.487 -0.029 0.000 1.121 80 N HN 0.477 8.716 8.380 -0.038 0.118 0.480 81 P HA -0.030 4.515 4.420 -0.027 -0.142 0.220 81 P C 0.460 177.747 177.300 -0.022 0.000 1.148 81 P CA 1.546 64.630 63.100 -0.027 0.000 0.803 81 P CB 0.387 32.070 31.700 -0.029 0.000 0.782 82 K N -4.454 115.934 120.400 -0.021 0.000 2.365 82 K HA -0.008 4.302 4.320 -0.017 0.000 0.197 82 K C -0.062 176.529 176.600 -0.016 0.000 1.042 82 K CA 0.077 56.354 56.287 -0.017 0.000 0.987 82 K CB 0.562 33.053 32.500 -0.015 0.000 0.779 82 K HN -0.513 7.867 8.250 -0.021 -0.143 0.484 83 K N 0.530 120.919 120.400 -0.017 0.000 2.626 83 K HA 0.434 4.746 4.320 -0.014 0.000 0.223 83 K C -2.598 173.992 176.600 -0.017 0.000 0.992 83 K CA -3.098 53.180 56.287 -0.016 0.000 1.024 83 K CB 1.409 33.900 32.500 -0.015 0.000 1.225 83 K HN -0.616 7.572 8.250 -0.019 0.050 0.498 84 P HA -0.220 4.189 4.420 -0.019 0.000 0.263 84 P C 0.434 177.724 177.300 -0.018 0.000 1.162 84 P CA 1.696 64.786 63.100 -0.017 0.000 0.758 84 P CB 0.178 31.869 31.700 -0.014 0.000 0.773 85 G N 0.699 109.487 108.800 -0.020 0.000 2.212 85 G HA2 -0.335 3.612 3.960 -0.022 0.000 0.267 85 G HA3 -0.335 3.614 3.960 -0.018 0.000 0.267 85 G C -1.182 173.705 174.900 -0.021 0.000 1.002 85 G CA -0.054 45.034 45.100 -0.020 0.000 0.729 85 G HN 0.436 8.713 8.290 -0.021 0.000 0.517 86 A N 0.398 123.205 122.820 -0.022 0.000 2.320 86 A HA 0.488 4.795 4.320 -0.021 0.000 0.334 86 A C -2.554 175.012 177.584 -0.030 0.000 1.147 86 A CA -2.734 49.290 52.037 -0.023 0.000 0.820 86 A CB 0.717 19.706 19.000 -0.020 0.000 1.218 86 A HN -0.481 7.582 8.150 -0.023 0.073 0.482 87 P HA 0.107 4.497 4.420 -0.049 0.000 0.274 87 P C -0.644 176.631 177.300 -0.040 0.000 1.246 87 P CA -0.909 62.167 63.100 -0.040 0.000 0.795 87 P CB 1.008 32.687 31.700 -0.036 0.000 1.006 88 Q N 0.441 120.209 119.800 -0.054 0.000 2.421 88 Q HA -0.086 4.227 4.340 -0.044 0.000 0.255 88 Q C -0.745 175.234 176.000 -0.035 0.000 1.013 88 Q CA 0.248 56.021 55.803 -0.050 0.000 0.895 88 Q CB 0.548 29.242 28.738 -0.073 0.000 1.271 88 Q HN 0.139 8.369 8.270 -0.066 0.000 0.460 89 N N 0.179 118.863 118.700 -0.027 0.000 2.479 89 N HA -0.096 4.634 4.740 -0.016 0.000 0.257 89 N C 0.305 175.807 175.510 -0.013 0.000 1.232 89 N CA 0.159 53.199 53.050 -0.018 0.000 0.920 89 N CB 0.422 38.900 38.487 -0.016 0.000 1.105 89 N HN 0.125 8.488 8.380 -0.027 0.000 0.444 90 V N 1.777 121.687 119.914 -0.007 0.000 2.673 90 V HA -0.257 4.030 4.120 0.016 -0.157 0.303 90 V C 0.288 176.375 176.094 -0.012 0.000 1.046 90 V CA 1.791 64.094 62.300 0.003 0.000 1.126 90 V CB 0.338 32.164 31.823 0.006 0.000 0.934 90 V HN 0.241 8.427 8.190 -0.007 0.000 0.487 91 R N 7.489 127.993 120.500 0.006 0.000 2.393 91 R HA 0.343 4.602 4.340 -0.135 0.000 0.310 91 R C -1.678 174.509 176.300 -0.189 0.000 0.968 91 R CA -1.987 54.058 56.100 -0.091 0.000 0.867 91 R CB 1.771 32.061 30.300 -0.017 0.000 1.124 91 R HN 0.054 8.357 8.270 0.054 0.000 0.450 92 L N 2.791 123.788 121.223 -0.377 0.000 2.334 92 L HA 0.528 4.946 4.340 -0.168 -0.179 0.277 92 L C -0.063 176.329 176.870 -0.796 0.000 1.075 92 L CA -0.410 54.210 54.840 -0.366 0.000 0.804 92 L CB 1.220 43.133 42.059 -0.243 0.000 1.174 92 L HN 0.292 8.301 8.230 -0.367 0.000 0.438 93 Y N 0.673 120.910 120.300 -0.105 0.000 2.386 93 Y HA 0.199 4.620 4.550 -0.215 0.000 0.334 93 Y C -0.762 175.046 175.900 -0.154 0.000 1.002 93 Y CA -1.338 56.677 58.100 -0.143 0.000 1.068 93 Y CB 3.568 41.982 38.460 -0.075 0.000 1.203 93 Y HN 0.618 8.876 8.280 -0.037 0.000 0.443 94 S N 3.167 118.819 115.700 -0.080 0.000 2.537 94 S HA -0.005 4.379 4.470 -0.143 0.000 0.286 94 S C -0.279 174.240 174.600 -0.135 0.000 1.299 94 S CA 1.145 59.274 58.200 -0.118 0.000 1.067 94 S CB -0.114 63.021 63.200 -0.109 0.000 0.864 94 S HN 0.594 8.830 8.310 -0.122 0.000 0.494 95 I N 4.184 124.600 120.570 -0.257 0.000 2.556 95 I HA -0.214 3.890 4.170 -0.303 -0.117 0.284 95 I C -0.120 175.861 176.117 -0.226 0.000 1.114 95 I CA 0.907 61.994 61.300 -0.355 0.000 1.418 95 I CB 0.492 38.032 38.000 -0.766 0.000 1.394 95 I HN 0.020 8.060 8.210 -0.283 0.000 0.552 96 A N 5.788 128.517 122.820 -0.152 0.000 2.348 96 A HA 0.475 4.859 4.320 -0.110 -0.130 0.224 96 A C -0.886 176.657 177.584 -0.068 0.000 1.227 96 A CA -0.604 51.381 52.037 -0.087 0.000 0.885 96 A CB 1.336 20.345 19.000 0.016 0.000 0.933 96 A HN 0.527 8.582 8.150 -0.159 0.000 0.506 97 S N -3.333 112.340 115.700 -0.045 0.000 2.664 97 S HA 0.370 4.854 4.470 0.024 0.000 0.304 97 S C 0.282 174.955 174.600 0.123 0.000 1.099 97 S CA -1.619 56.606 58.200 0.041 0.000 1.003 97 S CB 2.347 65.601 63.200 0.090 0.000 1.092 97 S HN -0.656 7.527 8.310 -0.098 0.068 0.525 98 T N -1.159 113.473 114.554 0.130 0.000 2.726 98 T HA 0.022 4.443 4.350 0.118 0.000 0.294 98 T C 1.535 176.291 174.700 0.093 0.000 1.013 98 T CA -0.931 61.247 62.100 0.130 0.000 0.996 98 T CB 0.927 69.885 68.868 0.150 0.000 1.016 98 T HN 0.037 8.340 8.240 0.104 0.000 0.529 99 R N -1.313 119.069 120.500 -0.198 0.000 2.193 99 R HA -0.292 3.331 4.340 -1.196 0.000 0.229 99 R C 1.477 177.402 176.300 -0.625 0.000 1.110 99 R CA 2.686 58.363 56.100 -0.704 0.000 0.988 99 R CB -0.611 29.238 30.300 -0.751 0.000 0.871 99 R HN 0.344 8.862 8.270 -0.166 -0.349 0.458 100 Y N -1.744 118.506 120.300 -0.083 0.000 2.475 100 Y HA -0.073 4.449 4.550 -0.047 0.000 0.289 100 Y C 0.622 176.518 175.900 -0.008 0.000 1.121 100 Y CA 1.129 59.214 58.100 -0.025 0.000 1.257 100 Y CB 0.545 39.033 38.460 0.047 0.000 1.026 100 Y HN -0.855 7.299 8.280 -0.145 0.038 0.555 101 G N -1.824 107.045 108.800 0.115 0.000 2.828 101 G HA2 -0.507 3.516 3.960 0.105 0.000 0.463 101 G HA3 -0.507 3.671 3.960 0.081 -0.170 0.463 101 G C 0.617 175.416 174.900 -0.168 0.000 1.394 101 G CA -0.198 44.936 45.100 0.057 0.000 0.862 101 G HN -0.741 7.511 8.290 0.122 0.111 0.540 102 D N 1.217 121.500 120.400 -0.195 0.000 2.312 102 D HA -0.129 4.190 4.640 -0.535 0.000 0.211 102 D C 0.642 176.552 176.300 -0.649 0.000 0.964 102 D CA 2.253 56.015 54.000 -0.397 0.000 0.877 102 D CB -0.210 40.518 40.800 -0.121 0.000 0.924 102 D HN 0.145 8.468 8.370 -0.078 0.000 0.515 103 N N -2.450 116.015 118.700 -0.390 0.000 2.230 103 N HA -0.040 4.558 4.740 -0.236 0.000 0.202 103 N C -0.565 174.904 175.510 -0.068 0.000 1.119 103 N CA -1.365 51.549 53.050 -0.226 0.000 0.851 103 N CB 0.801 39.255 38.487 -0.056 0.000 0.990 103 N HN -0.670 7.517 8.380 -0.248 0.045 0.497 104 F N -7.155 112.840 119.950 0.075 0.000 3.057 104 F HA -0.492 4.095 4.527 0.100 0.000 0.287 104 F C -1.182 174.655 175.800 0.061 0.000 0.834 104 F CA 1.077 59.114 58.000 0.061 0.000 1.147 104 F CB -3.102 35.900 39.000 0.003 0.000 1.245 104 F HN -0.243 7.631 8.300 -0.428 0.169 0.509 105 D N -3.781 116.727 120.400 0.180 0.000 2.520 105 D HA 0.210 5.026 4.640 0.129 -0.099 0.223 105 D C 0.892 177.249 176.300 0.095 0.000 1.186 105 D CA -1.649 52.424 54.000 0.122 0.000 0.821 105 D CB 1.570 42.412 40.800 0.070 0.000 1.072 105 D HN -0.614 7.815 8.370 0.133 0.021 0.518 106 G N 0.426 109.294 108.800 0.114 0.000 2.153 106 G HA2 -0.421 3.529 3.960 -0.016 0.000 0.252 106 G HA3 -0.421 3.545 3.960 0.011 0.000 0.252 106 G C -0.282 174.582 174.900 -0.060 0.000 0.994 106 G CA 1.062 46.174 45.100 0.020 0.000 0.698 106 G HN 0.145 8.435 8.290 0.165 0.099 0.521 107 R N -2.964 117.463 120.500 -0.122 0.000 2.373 107 R HA 0.135 4.233 4.340 -0.534 -0.079 0.221 107 R C -1.505 174.515 176.300 -0.466 0.000 0.893 107 R CA -0.131 55.758 56.100 -0.352 0.000 1.049 107 R CB 2.185 32.380 30.300 -0.175 0.000 1.119 107 R HN -0.324 8.138 8.270 -0.052 -0.223 0.535 108 T N -5.076 109.415 114.554 -0.105 0.000 2.906 108 T HA 0.821 5.403 4.350 0.105 -0.169 0.295 108 T C -1.443 173.467 174.700 0.350 0.000 1.061 108 T CA -2.816 59.342 62.100 0.096 0.000 1.000 108 T CB 2.833 71.724 68.868 0.038 0.000 1.103 108 T HN -0.798 7.428 8.240 -0.023 0.000 0.486 109 G N -0.449 108.594 108.800 0.405 0.000 2.605 109 G HA2 0.540 4.689 3.960 0.315 0.000 0.296 109 G HA3 0.540 4.725 3.960 0.375 0.000 0.296 109 G C -2.968 171.997 174.900 0.108 0.000 1.304 109 G CA -1.551 43.739 45.100 0.317 0.000 0.941 109 G HN 0.132 8.648 8.290 0.376 0.000 0.475 110 S N -0.455 115.232 115.700 -0.022 0.000 2.542 110 S HA 1.105 5.679 4.470 -0.186 -0.215 0.293 110 S C -0.955 173.539 174.600 -0.176 0.000 1.089 110 S CA -0.665 57.435 58.200 -0.167 0.000 0.961 110 S CB 3.347 66.400 63.200 -0.245 0.000 1.062 110 S HN 0.018 8.303 8.310 -0.041 0.000 0.483 111 L N -0.765 120.322 121.223 -0.227 0.000 2.341 111 L HA 0.559 4.852 4.340 -0.078 0.000 0.267 111 L C -1.385 175.426 176.870 -0.099 0.000 1.009 111 L CA -1.550 53.210 54.840 -0.134 0.000 0.819 111 L CB 4.643 46.611 42.059 -0.152 0.000 1.323 111 L HN 0.487 8.531 8.230 -0.310 0.000 0.425 112 C N 3.728 123.056 119.300 0.047 0.000 2.335 112 C HA 0.589 5.323 4.460 0.175 -0.168 0.318 112 C C -0.720 174.336 174.990 0.110 0.000 1.150 112 C CA -1.654 57.460 59.018 0.160 0.000 1.466 112 C CB -0.823 27.098 27.740 0.301 0.000 2.024 112 C HN 0.630 8.891 8.230 0.052 0.000 0.429 113 V N 9.130 129.071 119.914 0.044 0.000 2.409 113 V HA 0.263 4.441 4.120 0.097 0.000 0.291 113 V C -1.803 174.331 176.094 0.066 0.000 1.020 113 V CA -1.098 61.216 62.300 0.024 0.000 0.848 113 V CB 3.153 34.884 31.823 -0.153 0.000 0.990 113 V HN 0.794 9.004 8.190 0.032 0.000 0.430 114 R N 7.656 128.229 120.500 0.123 0.000 2.234 114 R HA 0.138 4.670 4.340 0.094 -0.135 0.324 114 R C -0.500 175.864 176.300 0.106 0.000 1.054 114 R CA -0.743 55.427 56.100 0.116 0.000 0.912 114 R CB 0.929 31.318 30.300 0.148 0.000 1.030 114 R HN 0.477 8.846 8.270 0.165 0.000 0.455 115 R N 6.032 126.579 120.500 0.080 0.000 2.421 115 R HA -0.233 4.148 4.340 0.068 0.000 0.305 115 R C -0.854 175.497 176.300 0.085 0.000 1.039 115 R CA 0.824 56.967 56.100 0.072 0.000 1.003 115 R CB 0.602 30.936 30.300 0.057 0.000 0.959 115 R HN -0.004 8.309 8.270 0.071 0.000 0.427 116 A N 8.429 131.299 122.820 0.085 0.000 2.316 116 A HA 0.215 4.588 4.320 0.088 0.000 0.311 116 A C -1.757 175.850 177.584 0.038 0.000 1.339 116 A CA -0.702 51.382 52.037 0.079 0.000 0.960 116 A CB 0.504 19.560 19.000 0.093 0.000 1.152 116 A HN 0.224 8.426 8.150 0.087 0.000 0.547 117 V N 5.149 125.061 119.914 -0.002 0.000 2.555 117 V HA 0.193 4.404 4.120 -0.106 -0.155 0.302 117 V C -1.071 174.862 176.094 -0.268 0.000 1.038 117 V CA -1.550 60.656 62.300 -0.157 0.000 0.887 117 V CB 2.307 33.999 31.823 -0.218 0.000 0.991 117 V HN 0.177 8.385 8.190 0.030 0.000 0.434 118 Y N 8.895 128.969 120.300 -0.378 0.000 2.304 118 Y HA -0.030 4.405 4.550 -0.192 0.000 0.328 118 Y C -2.530 173.040 175.900 -0.550 0.000 1.123 118 Y CA -0.227 57.685 58.100 -0.313 0.000 1.218 118 Y CB 2.562 40.933 38.460 -0.148 0.000 1.207 118 Y HN 0.250 8.784 8.280 -0.081 -0.303 0.495 119 Y N 5.088 125.004 120.300 -0.640 0.000 2.406 119 Y HA 0.153 4.835 4.550 -0.253 -0.284 0.340 119 Y C -1.096 174.363 175.900 -0.735 0.000 0.975 119 Y CA -2.008 55.813 58.100 -0.465 0.000 1.056 119 Y CB 3.154 41.480 38.460 -0.222 0.000 1.210 119 Y HN 0.151 7.939 8.280 -0.820 0.000 0.448 120 D N 2.654 122.927 120.400 -0.213 0.000 2.450 120 D HA 0.020 4.588 4.640 -0.120 0.000 0.247 120 D C -0.337 175.926 176.300 -0.062 0.000 1.162 120 D CA -0.883 53.067 54.000 -0.083 0.000 0.879 120 D CB 1.731 42.584 40.800 0.089 0.000 1.163 120 D HN 0.253 8.505 8.370 -0.024 0.103 0.472 121 P HA -0.116 4.279 4.420 -0.042 0.000 0.220 121 P C -0.413 176.883 177.300 -0.006 0.000 1.148 121 P CA 1.480 64.562 63.100 -0.028 0.000 0.803 121 P CB 0.236 31.932 31.700 -0.006 0.000 0.782 122 E N -2.174 118.033 120.200 0.011 0.000 2.045 122 E HA -0.064 4.290 4.350 0.007 0.000 0.190 122 E C 1.828 178.435 176.600 0.011 0.000 0.968 122 E CA 1.689 58.097 56.400 0.013 0.000 0.813 122 E CB 0.312 30.026 29.700 0.023 0.000 0.780 122 E HN -0.193 8.384 8.360 0.021 -0.204 0.455 123 T N -6.426 108.142 114.554 0.023 0.000 3.088 123 T HA 0.019 4.379 4.350 0.017 0.000 0.259 123 T C 1.444 176.154 174.700 0.016 0.000 1.122 123 T CA 0.302 62.416 62.100 0.023 0.000 1.095 123 T CB 0.771 69.662 68.868 0.038 0.000 0.930 123 T HN -0.250 8.359 8.240 0.031 -0.350 0.508 124 G N 2.681 111.487 108.800 0.011 0.000 2.187 124 G HA2 -0.451 3.683 3.960 -0.004 0.000 0.261 124 G HA3 -0.451 3.483 3.960 -0.044 0.000 0.261 124 G C -0.492 174.448 174.900 0.067 0.000 1.000 124 G CA 0.820 45.918 45.100 -0.002 0.000 0.718 124 G HN -0.017 8.198 8.290 0.011 0.082 0.519 125 K N 0.382 120.839 120.400 0.096 0.000 2.339 125 K HA -0.126 4.274 4.320 0.134 0.000 0.286 125 K C -0.592 176.138 176.600 0.218 0.000 1.050 125 K CA -0.081 56.288 56.287 0.137 0.000 0.956 125 K CB 0.413 32.974 32.500 0.102 0.000 0.990 125 K HN -0.401 7.705 8.250 0.074 0.189 0.475 126 E N 4.970 125.347 120.200 0.295 0.000 2.404 126 E HA -0.123 4.426 4.350 0.091 -0.144 0.261 126 E C -0.586 176.090 176.600 0.127 0.000 1.074 126 E CA 0.792 57.305 56.400 0.187 0.000 0.917 126 E CB 1.156 30.947 29.700 0.151 0.000 0.965 126 E HN 0.435 9.014 8.360 0.291 -0.045 0.433 127 D N 5.088 125.567 120.400 0.132 0.000 2.358 127 D HA 0.481 5.173 4.640 0.087 0.000 0.253 127 D C -1.569 174.761 176.300 0.049 0.000 1.288 127 D CA -2.776 51.298 54.000 0.123 0.000 0.950 127 D CB 0.987 41.894 40.800 0.178 0.000 1.197 127 D HN -0.080 8.352 8.370 0.103 0.000 0.550 128 P HA -0.120 4.442 4.420 -0.013 -0.149 0.221 128 P C 0.438 177.729 177.300 -0.016 0.000 1.145 128 P CA 1.824 64.922 63.100 -0.003 0.000 0.795 128 P CB 0.403 32.106 31.700 0.006 0.000 0.775 129 S N -4.090 111.592 115.700 -0.029 0.000 2.447 129 S HA -0.203 4.245 4.470 -0.037 0.000 0.233 129 S C 0.997 175.544 174.600 -0.088 0.000 1.006 129 S CA 2.152 60.322 58.200 -0.051 0.000 0.957 129 S CB -0.677 62.490 63.200 -0.055 0.000 0.773 129 S HN -0.242 8.129 8.310 -0.021 -0.074 0.507 130 K N -1.060 119.260 120.400 -0.133 0.000 2.410 130 K HA 0.046 4.258 4.320 -0.180 0.000 0.200 130 K C -0.825 175.738 176.600 -0.062 0.000 1.023 130 K CA -0.503 55.662 56.287 -0.204 0.000 1.149 130 K CB 0.056 32.183 32.500 -0.623 0.000 0.859 130 K HN 0.359 8.370 8.250 -0.113 0.171 0.514 131 N N -0.739 117.948 118.700 -0.021 0.000 2.444 131 N HA -0.063 4.691 4.740 0.023 0.000 0.255 131 N C 0.610 176.131 175.510 0.018 0.000 1.255 131 N CA 0.496 53.550 53.050 0.008 0.000 0.933 131 N CB 0.608 39.095 38.487 0.000 0.000 1.143 131 N HN -0.797 7.375 8.380 -0.031 0.189 0.453 132 G N -0.376 108.448 108.800 0.040 0.000 2.378 132 G HA2 0.021 4.007 3.960 0.045 0.000 0.255 132 G HA3 0.021 4.023 3.960 0.070 0.000 0.255 132 G C 0.587 175.524 174.900 0.062 0.000 1.270 132 G CA -0.533 44.600 45.100 0.054 0.000 0.876 132 G HN 0.162 8.477 8.290 0.042 0.000 0.521 133 V N 5.079 125.025 119.914 0.053 0.000 2.244 133 V HA -0.430 3.717 4.120 0.044 0.000 0.244 133 V C 1.627 177.785 176.094 0.107 0.000 1.042 133 V CA 3.522 65.852 62.300 0.050 0.000 1.006 133 V CB -0.052 31.774 31.823 0.005 0.000 0.641 133 V HN 0.064 8.281 8.190 0.044 0.000 0.446 134 C N 0.235 119.615 119.300 0.134 0.000 2.457 134 C HA -0.159 4.445 4.460 0.239 0.000 0.278 134 C C 2.508 177.630 174.990 0.220 0.000 1.309 134 C CA 3.071 62.221 59.018 0.221 0.000 1.735 134 C CB -1.899 25.999 27.740 0.263 0.000 1.992 134 C HN 0.208 8.508 8.230 0.117 0.000 0.493 135 S N 0.709 116.519 115.700 0.184 0.000 2.368 135 S HA -0.359 4.136 4.470 0.041 0.000 0.224 135 S C 1.936 176.570 174.600 0.057 0.000 1.029 135 S CA 3.262 61.527 58.200 0.109 0.000 0.988 135 S CB -1.074 62.213 63.200 0.146 0.000 0.838 135 S HN 0.297 8.721 8.310 0.191 0.000 0.462 136 N N 2.406 121.158 118.700 0.085 0.000 2.216 136 N HA -0.242 4.520 4.740 0.036 0.000 0.183 136 N C 1.662 177.221 175.510 0.082 0.000 1.017 136 N CA 3.220 56.308 53.050 0.065 0.000 0.861 136 N CB -0.208 38.318 38.487 0.064 0.000 0.986 136 N HN -0.818 7.623 8.380 0.101 0.000 0.428 137 F N 2.047 121.983 119.950 -0.023 0.000 2.065 137 F HA -0.388 4.122 4.527 -0.029 0.000 0.298 137 F C 0.606 176.372 175.800 -0.057 0.000 1.112 137 F CA 3.358 61.337 58.000 -0.035 0.000 1.212 137 F CB 0.013 38.995 39.000 -0.029 0.000 0.975 137 F HN -0.447 8.013 8.300 0.268 0.000 0.476 138 L N -3.651 117.418 121.223 -0.256 0.000 2.005 138 L HA -0.373 3.590 4.340 -0.628 0.000 0.207 138 L C 2.704 179.403 176.870 -0.284 0.000 1.072 138 L CA 2.952 57.551 54.840 -0.403 0.000 0.744 138 L CB -0.041 41.824 42.059 -0.323 0.000 0.895 138 L HN -0.515 7.703 8.230 -0.021 0.000 0.433 139 C N -3.355 115.848 119.300 -0.162 0.000 2.437 139 C HA -0.182 4.207 4.460 -0.118 0.000 0.283 139 C C 1.610 176.539 174.990 -0.101 0.000 1.424 139 C CA 1.823 60.776 59.018 -0.109 0.000 1.782 139 C CB -1.977 25.732 27.740 -0.052 0.000 1.833 139 C HN -0.171 7.985 8.230 -0.123 0.000 0.532 140 N N -1.451 117.180 118.700 -0.115 0.000 2.398 140 N HA -0.038 4.665 4.740 -0.063 0.000 0.188 140 N C 0.190 175.617 175.510 -0.139 0.000 1.122 140 N CA 0.551 53.546 53.050 -0.091 0.000 0.866 140 N CB 0.141 38.604 38.487 -0.041 0.000 0.970 140 N HN -0.130 8.135 8.380 -0.128 0.038 0.462 141 S N -0.176 115.385 115.700 -0.231 0.000 2.600 141 S HA -0.055 4.389 4.470 -0.249 -0.124 0.265 141 S C -0.772 173.738 174.600 -0.151 0.000 1.325 141 S CA 1.353 59.398 58.200 -0.257 0.000 1.002 141 S CB 0.990 63.957 63.200 -0.388 0.000 0.921 141 S HN -0.646 7.329 8.310 -0.257 0.182 0.554 142 K N 0.619 120.945 120.400 -0.122 0.000 2.482 142 K HA 0.519 4.796 4.320 -0.072 0.000 0.257 142 K C -2.463 174.095 176.600 -0.070 0.000 0.969 142 K CA -3.279 52.961 56.287 -0.078 0.000 0.842 142 K CB 0.923 33.391 32.500 -0.054 0.000 1.359 142 K HN -0.027 8.420 8.250 -0.135 -0.278 0.441 143 P HA -0.435 4.118 4.420 -0.044 -0.159 0.261 143 P C 0.623 177.901 177.300 -0.037 0.000 1.173 143 P CA 1.255 64.331 63.100 -0.040 0.000 0.760 143 P CB -0.250 31.434 31.700 -0.027 0.000 0.783 144 G N 5.262 114.040 108.800 -0.036 0.000 2.241 144 G HA2 -0.493 3.450 3.960 -0.028 0.000 0.244 144 G HA3 -0.493 3.451 3.960 -0.027 0.000 0.244 144 G C -0.298 174.581 174.900 -0.036 0.000 0.998 144 G CA -0.185 44.896 45.100 -0.031 0.000 0.621 144 G HN 0.544 8.811 8.290 -0.038 0.000 0.519 145 D N 1.582 121.953 120.400 -0.049 0.000 2.400 145 D HA 0.023 4.646 4.640 -0.029 0.000 0.238 145 D C -0.767 175.507 176.300 -0.043 0.000 1.157 145 D CA 0.619 54.590 54.000 -0.047 0.000 0.889 145 D CB 0.650 41.400 40.800 -0.083 0.000 1.199 145 D HN -0.400 7.855 8.370 -0.057 0.081 0.436 146 K N -0.234 120.158 120.400 -0.014 0.000 2.130 146 K HA 0.691 5.172 4.320 -0.042 -0.187 0.268 146 K C 0.150 176.777 176.600 0.044 0.000 0.983 146 K CA -1.744 54.533 56.287 -0.016 0.000 0.893 146 K CB 1.226 33.706 32.500 -0.033 0.000 1.066 146 K HN 0.073 8.325 8.250 0.004 0.000 0.450 147 I N -2.398 118.179 120.570 0.012 0.000 2.582 147 I HA 0.366 4.669 4.170 0.222 0.000 0.292 147 I C -2.162 173.953 176.117 -0.004 0.000 1.066 147 I CA -1.577 59.772 61.300 0.082 0.000 1.053 147 I CB 3.736 41.796 38.000 0.100 0.000 1.241 147 I HN 0.601 8.789 8.210 -0.036 0.000 0.421 148 Q N 5.077 124.886 119.800 0.014 0.000 2.361 148 Q HA 0.194 4.614 4.340 -0.084 -0.131 0.250 148 Q C -0.918 175.066 176.000 -0.026 0.000 1.023 148 Q CA -1.162 54.618 55.803 -0.039 0.000 0.915 148 Q CB -0.393 28.321 28.738 -0.040 0.000 1.238 148 Q HN 0.596 8.906 8.270 0.067 0.000 0.451 149 L N 6.695 127.883 121.223 -0.059 0.000 2.309 149 L HA 0.748 5.219 4.340 -0.089 -0.185 0.282 149 L C -0.435 176.416 176.870 -0.031 0.000 1.036 149 L CA -1.296 53.486 54.840 -0.097 0.000 0.806 149 L CB 2.021 43.930 42.059 -0.250 0.000 1.220 149 L HN 0.500 8.685 8.230 -0.076 0.000 0.429 150 T N -3.914 110.646 114.554 0.010 0.000 2.901 150 T HA 0.253 4.700 4.350 0.162 0.000 0.293 150 T C -0.304 174.478 174.700 0.136 0.000 1.084 150 T CA -2.010 60.151 62.100 0.103 0.000 1.008 150 T CB 2.268 71.191 68.868 0.091 0.000 1.170 150 T HN 0.439 8.575 8.240 -0.006 0.101 0.509 151 G N -0.759 108.140 108.800 0.165 0.000 2.445 151 G HA2 -0.293 3.731 3.960 0.107 0.000 0.212 151 G HA3 -0.293 3.773 3.960 0.178 0.000 0.212 151 G C -3.045 171.965 174.900 0.183 0.000 1.217 151 G CA -0.369 44.826 45.100 0.157 0.000 1.002 151 G HN 0.108 8.502 8.290 0.172 0.000 0.574 152 P HA 0.510 5.162 4.420 0.194 -0.115 0.275 152 P C -1.370 175.951 177.300 0.035 0.000 1.266 152 P CA -0.621 62.552 63.100 0.122 0.000 0.793 152 P CB 1.174 32.900 31.700 0.044 0.000 1.074 153 S N -2.388 113.313 115.700 0.002 0.000 2.607 153 S HA 0.325 4.781 4.470 -0.024 0.000 0.273 153 S C -1.486 173.096 174.600 -0.029 0.000 1.148 153 S CA -1.131 57.060 58.200 -0.015 0.000 0.833 153 S CB 2.836 66.035 63.200 -0.002 0.000 1.130 153 S HN 0.171 8.475 8.310 -0.010 0.000 0.470 154 G N -0.365 108.422 108.800 -0.023 0.000 2.712 154 G HA2 -0.239 3.722 3.960 0.002 0.000 0.686 154 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.686 154 G C -0.941 173.955 174.900 -0.007 0.000 1.181 154 G CA -0.020 45.075 45.100 -0.008 0.000 0.762 154 G HN 0.157 8.433 8.290 -0.024 0.000 0.641 155 K N 0.885 121.296 120.400 0.018 0.000 2.521 155 K HA 0.131 4.467 4.320 0.027 0.000 0.213 155 K C 1.302 177.949 176.600 0.079 0.000 1.223 155 K CA -0.090 56.216 56.287 0.032 0.000 1.013 155 K CB 0.904 33.411 32.500 0.011 0.000 1.017 155 K HN 0.033 8.300 8.250 0.027 0.000 0.591 156 I N 0.382 121.010 120.570 0.098 0.000 2.335 156 I HA -0.290 3.977 4.170 0.163 0.000 0.251 156 I C 0.546 176.774 176.117 0.186 0.000 1.129 156 I CA 2.182 63.574 61.300 0.152 0.000 1.402 156 I CB -0.670 37.422 38.000 0.154 0.000 1.069 156 I HN 0.116 8.375 8.210 0.082 0.000 0.424 157 M N -5.235 114.464 119.600 0.166 0.000 2.475 157 M HA 0.115 4.775 4.480 0.300 0.000 0.283 157 M C -0.454 175.973 176.300 0.212 0.000 1.165 157 M CA -1.868 53.567 55.300 0.226 0.000 0.976 157 M CB -0.493 32.211 32.600 0.174 0.000 1.428 157 M HN -0.244 8.087 8.290 0.130 0.037 0.495 158 L N 0.806 122.105 121.223 0.126 0.000 2.485 158 L HA -0.049 4.550 4.340 0.130 -0.180 0.275 158 L C 0.523 177.347 176.870 -0.078 0.000 1.207 158 L CA 0.318 55.211 54.840 0.089 0.000 0.855 158 L CB 0.298 42.435 42.059 0.129 0.000 1.114 158 L HN -0.760 7.476 8.230 0.115 0.063 0.485 159 L N 5.098 126.166 121.223 -0.258 0.000 2.313 159 L HA 0.353 4.258 4.340 -0.725 0.000 0.282 159 L C -2.144 174.495 176.870 -0.386 0.000 1.092 159 L CA -2.887 51.591 54.840 -0.604 0.000 0.831 159 L CB 0.924 42.432 42.059 -0.919 0.000 1.159 159 L HN 0.292 8.414 8.230 -0.180 0.000 0.442 160 P HA 0.071 4.416 4.420 -0.126 0.000 0.276 160 P C -1.170 176.073 177.300 -0.096 0.000 1.264 160 P CA 0.142 63.135 63.100 -0.178 0.000 0.769 160 P CB 0.418 31.950 31.700 -0.281 0.000 0.840 161 E N 3.337 123.472 120.200 -0.108 0.000 2.526 161 E HA -0.001 4.391 4.350 0.069 0.000 0.208 161 E C -0.066 176.596 176.600 0.103 0.000 0.997 161 E CA -0.070 56.298 56.400 -0.052 0.000 0.961 161 E CB 0.374 29.840 29.700 -0.390 0.000 1.030 161 E HN 0.158 8.449 8.360 -0.115 0.000 0.483 162 E N -0.801 119.450 120.200 0.085 0.000 2.118 162 E HA -0.187 4.211 4.350 0.079 0.000 0.195 162 E C -0.058 176.617 176.600 0.125 0.000 0.992 162 E CA 1.662 58.120 56.400 0.097 0.000 0.804 162 E CB -0.297 29.457 29.700 0.090 0.000 0.741 162 E HN -0.260 8.138 8.360 0.063 0.000 0.458 163 D N -2.426 118.071 120.400 0.163 0.000 2.454 163 D HA 0.318 5.026 4.640 0.113 0.000 0.225 163 D C -0.771 175.654 176.300 0.209 0.000 1.081 163 D CA -3.557 50.534 54.000 0.152 0.000 0.864 163 D CB 0.359 41.242 40.800 0.139 0.000 1.040 163 D HN -0.559 7.903 8.370 0.181 0.017 0.517 164 P HA 0.023 4.614 4.420 0.285 0.000 0.237 164 P C -0.718 176.560 177.300 -0.036 0.000 1.178 164 P CA 0.822 63.986 63.100 0.108 0.000 0.766 164 P CB 0.472 32.139 31.700 -0.055 0.000 0.876 165 N N -1.838 116.834 118.700 -0.046 0.000 2.238 165 N HA 0.101 4.708 4.740 -0.371 -0.090 0.222 165 N C -0.936 174.547 175.510 -0.046 0.000 1.133 165 N CA -1.149 51.804 53.050 -0.161 0.000 0.854 165 N CB 0.248 38.659 38.487 -0.126 0.000 1.041 165 N HN -0.199 8.401 8.380 0.013 -0.212 0.510 166 A N 0.479 123.363 122.820 0.106 0.000 2.429 166 A HA -0.006 4.344 4.320 0.050 0.000 0.242 166 A C -1.290 176.329 177.584 0.058 0.000 1.088 166 A CA 0.668 52.752 52.037 0.079 0.000 0.784 166 A CB 0.889 19.945 19.000 0.094 0.000 1.038 166 A HN -0.826 7.365 8.150 0.186 0.071 0.501 167 T N 1.633 116.169 114.554 -0.031 0.000 2.794 167 T HA 0.517 5.206 4.350 0.215 -0.210 0.280 167 T C 0.059 174.727 174.700 -0.053 0.000 0.987 167 T CA -0.532 61.608 62.100 0.067 0.000 0.993 167 T CB 0.950 69.891 68.868 0.122 0.000 0.939 167 T HN 0.215 8.435 8.240 -0.034 0.000 0.449 168 H N 7.898 127.202 119.070 0.389 0.000 2.800 168 H HA 0.396 5.269 4.556 0.529 0.000 0.322 168 H C -1.387 174.136 175.328 0.324 0.000 0.979 168 H CA -0.518 55.772 56.048 0.404 0.000 1.277 168 H CB 1.283 31.183 29.762 0.231 0.000 1.484 168 H HN 0.474 nan 8.280 nan 0.000 0.512 169 I N 5.038 125.835 120.570 0.379 0.000 2.312 169 I HA 0.268 4.738 4.170 0.242 -0.155 0.290 169 I C -1.636 174.505 176.117 0.040 0.000 1.008 169 I CA -0.637 60.774 61.300 0.185 0.000 1.226 169 I CB 0.752 38.775 38.000 0.039 0.000 1.371 169 I HN 0.747 9.195 8.210 0.398 0.000 0.468 170 M N 8.007 127.515 119.600 -0.154 0.000 2.114 170 M HA 0.315 4.386 4.480 -0.682 0.000 0.332 170 M C -1.867 174.118 176.300 -0.526 0.000 1.014 170 M CA -0.498 54.372 55.300 -0.717 0.000 0.956 170 M CB 1.971 33.770 32.600 -1.335 0.000 1.551 170 M HN 0.723 8.985 8.290 -0.046 0.000 0.427 171 I N 4.176 124.498 120.570 -0.412 0.000 2.354 171 I HA 0.522 4.813 4.170 -0.019 -0.132 0.286 171 I C -2.009 174.231 176.117 0.205 0.000 1.007 171 I CA -2.847 58.370 61.300 -0.138 0.000 1.167 171 I CB 0.212 37.981 38.000 -0.384 0.000 1.320 171 I HN 0.637 8.572 8.210 -0.458 0.000 0.458 172 A N 7.403 130.406 122.820 0.304 0.000 2.374 172 A HA 1.151 5.906 4.320 0.388 -0.202 0.317 172 A C -1.483 176.257 177.584 0.260 0.000 1.094 172 A CA -2.193 50.069 52.037 0.376 0.000 0.765 172 A CB 4.086 23.369 19.000 0.471 0.000 1.268 172 A HN 0.777 9.076 8.150 0.249 0.000 0.438 173 T N -1.058 113.619 114.554 0.206 0.000 2.861 173 T HA 0.839 5.494 4.350 0.197 -0.187 0.287 173 T C 1.305 176.104 174.700 0.165 0.000 1.003 173 T CA -3.008 59.198 62.100 0.176 0.000 0.977 173 T CB 2.839 71.790 68.868 0.138 0.000 0.996 173 T HN -0.236 8.115 8.240 0.185 0.000 0.448 174 G N 5.173 114.078 108.800 0.175 0.000 2.652 174 G HA2 -0.507 3.551 3.960 0.165 0.000 0.318 174 G HA3 -0.507 3.546 3.960 0.157 0.000 0.318 174 G C 0.621 175.641 174.900 0.200 0.000 1.295 174 G CA 1.524 46.727 45.100 0.171 0.000 0.999 174 G HN 0.275 8.673 8.290 0.179 0.000 0.548 175 T N 3.663 118.343 114.554 0.210 0.000 3.025 175 T HA -0.303 4.185 4.350 0.231 0.000 0.270 175 T C 2.114 176.955 174.700 0.234 0.000 1.126 175 T CA 1.377 63.621 62.100 0.239 0.000 1.105 175 T CB -0.592 68.435 68.868 0.266 0.000 0.884 175 T HN 0.222 8.584 8.240 0.204 0.000 0.522 176 G N 1.590 110.511 108.800 0.201 0.000 2.527 176 G HA2 -0.216 3.809 3.960 0.108 0.000 0.219 176 G HA3 -0.216 3.985 3.960 0.094 -0.184 0.219 176 G C 0.541 175.436 174.900 -0.009 0.000 1.117 176 G CA 1.402 46.563 45.100 0.102 0.000 0.759 176 G HN -0.226 8.126 8.290 0.192 0.053 0.556 177 V N 1.679 121.689 119.914 0.160 0.000 2.720 177 V HA -0.376 3.932 4.120 0.314 0.000 0.256 177 V C 0.518 176.639 176.094 0.046 0.000 1.082 177 V CA 1.290 63.728 62.300 0.230 0.000 1.101 177 V CB -0.441 31.652 31.823 0.451 0.000 0.693 177 V HN -0.650 7.616 8.190 0.218 0.054 0.479 178 A N 0.732 123.554 122.820 0.004 0.000 1.859 178 A HA -0.219 4.131 4.320 0.049 0.000 0.217 178 A C -1.332 176.096 177.584 -0.260 0.000 1.198 178 A CA 5.176 57.184 52.037 -0.049 0.000 0.629 178 A CB -2.896 16.096 19.000 -0.013 0.000 0.830 178 A HN -0.086 8.036 8.150 0.048 0.057 0.446 179 P HA -0.058 4.082 4.420 -0.467 0.000 0.218 179 P C 1.213 178.008 177.300 -0.841 0.000 1.148 179 P CA 2.312 64.995 63.100 -0.695 0.000 0.822 179 P CB -0.212 30.962 31.700 -0.876 0.000 0.784 180 F N -2.377 117.239 119.950 -0.557 0.000 2.234 180 F HA -0.118 3.932 4.527 -0.796 0.000 0.299 180 F C 2.397 178.099 175.800 -0.164 0.000 1.087 180 F CA 0.893 58.605 58.000 -0.480 0.000 1.340 180 F CB -1.451 37.385 39.000 -0.274 0.000 1.031 180 F HN -0.929 6.767 8.300 -0.966 0.025 0.500 181 R N 0.758 121.325 120.500 0.111 0.000 2.091 181 R HA -0.456 4.123 4.340 0.399 0.000 0.238 181 R C 2.240 178.572 176.300 0.053 0.000 1.136 181 R CA 3.994 60.183 56.100 0.148 0.000 0.959 181 R CB -0.284 29.934 30.300 -0.136 0.000 0.856 181 R HN -0.176 8.130 8.270 0.061 0.000 0.437 182 G N -2.030 106.749 108.800 -0.036 0.000 2.404 182 G HA2 -0.231 3.748 3.960 0.031 0.000 0.215 182 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.215 182 G C 1.602 176.545 174.900 0.072 0.000 1.174 182 G CA 1.952 47.058 45.100 0.010 0.000 0.780 182 G HN -0.629 7.599 8.290 -0.103 0.000 0.537 183 Y N 1.697 121.933 120.300 -0.106 0.000 2.114 183 Y HA -0.326 4.056 4.550 -0.281 0.000 0.282 183 Y C 2.544 178.270 175.900 -0.290 0.000 1.165 183 Y CA 1.183 59.141 58.100 -0.237 0.000 1.148 183 Y CB -0.794 37.496 38.460 -0.285 0.000 0.972 183 Y HN -0.178 8.084 8.280 -0.030 0.000 0.504 184 L N -2.941 118.271 121.223 -0.018 0.000 2.109 184 L HA -0.350 3.736 4.340 -0.424 0.000 0.207 184 L C 2.402 179.143 176.870 -0.216 0.000 1.086 184 L CA 2.710 57.429 54.840 -0.202 0.000 0.760 184 L CB -0.626 41.423 42.059 -0.015 0.000 0.910 184 L HN -0.059 8.206 8.230 0.078 0.012 0.437 185 R N -1.309 119.210 120.500 0.032 0.000 2.081 185 R HA -0.332 4.121 4.340 0.188 0.000 0.235 185 R C 2.376 178.678 176.300 0.005 0.000 1.131 185 R CA 3.619 59.782 56.100 0.105 0.000 0.960 185 R CB -0.278 30.122 30.300 0.167 0.000 0.856 185 R HN -0.378 7.943 8.270 0.085 0.000 0.436 186 R N -0.732 119.742 120.500 -0.043 0.000 2.081 186 R HA -0.257 4.095 4.340 0.020 0.000 0.235 186 R C 2.122 178.337 176.300 -0.142 0.000 1.131 186 R CA 2.844 58.916 56.100 -0.048 0.000 0.960 186 R CB -0.240 30.019 30.300 -0.069 0.000 0.856 186 R HN -0.664 7.585 8.270 -0.034 0.000 0.436 187 M N -3.353 116.000 119.600 -0.412 0.000 2.175 187 M HA -0.258 3.904 4.480 -0.529 0.000 0.264 187 M C 1.193 176.965 176.300 -0.880 0.000 1.063 187 M CA 3.816 58.629 55.300 -0.811 0.000 1.119 187 M CB 0.690 32.323 32.600 -1.612 0.000 1.377 187 M HN -0.423 7.607 8.290 -0.432 0.000 0.415 188 F N -6.688 112.994 119.950 -0.447 0.000 2.640 188 F HA 0.142 4.174 4.527 -0.824 0.000 0.285 188 F C 1.757 177.456 175.800 -0.167 0.000 1.031 188 F CA 0.618 58.251 58.000 -0.612 0.000 1.240 188 F CB 0.970 39.370 39.000 -1.000 0.000 1.011 188 F HN -0.432 7.561 8.300 -0.513 0.000 0.656 189 M N 1.566 121.250 119.600 0.139 0.000 2.299 189 M HA -0.084 4.567 4.480 0.285 0.000 0.264 189 M C -0.724 175.633 176.300 0.095 0.000 1.095 189 M CA 3.266 58.698 55.300 0.220 0.000 1.165 189 M CB 1.487 34.267 32.600 0.300 0.000 1.349 189 M HN -0.406 7.814 8.290 0.058 0.105 0.446 190 E N -1.762 118.471 120.200 0.055 0.000 2.277 190 E HA 0.114 4.555 4.350 -0.066 -0.130 0.274 190 E C -0.988 175.581 176.600 -0.052 0.000 1.022 190 E CA -0.630 55.761 56.400 -0.015 0.000 0.853 190 E CB 1.477 31.197 29.700 0.033 0.000 1.086 190 E HN -0.588 7.805 8.360 0.056 0.000 0.397 191 D N 4.407 124.741 120.400 -0.110 0.000 2.483 191 D HA 0.065 4.672 4.640 -0.056 0.000 0.220 191 D C -0.941 175.292 176.300 -0.111 0.000 1.173 191 D CA -0.488 53.456 54.000 -0.094 0.000 0.964 191 D CB -0.537 40.201 40.800 -0.103 0.000 1.046 191 D HN 0.188 8.466 8.370 -0.154 0.000 0.517 192 V N 6.035 125.914 119.914 -0.058 0.000 2.257 192 V HA 0.405 4.488 4.120 -0.061 0.000 0.269 192 V C -1.462 174.632 176.094 0.001 0.000 1.040 192 V CA -3.765 58.520 62.300 -0.025 0.000 0.813 192 V CB 0.175 32.027 31.823 0.048 0.000 1.065 192 V HN -0.652 7.516 8.190 -0.037 0.000 0.457 193 P HA 0.020 4.432 4.420 -0.013 0.000 0.222 193 P C -0.381 176.925 177.300 0.010 0.000 1.147 193 P CA 1.883 64.979 63.100 -0.007 0.000 0.790 193 P CB 0.319 32.011 31.700 -0.012 0.000 0.780 194 N N -5.167 113.551 118.700 0.030 0.000 2.398 194 N HA -0.194 4.566 4.740 0.033 0.000 0.188 194 N C -0.777 174.800 175.510 0.111 0.000 1.122 194 N CA 0.331 53.409 53.050 0.047 0.000 0.866 194 N CB -0.254 38.251 38.487 0.030 0.000 0.970 194 N HN -0.105 8.255 8.380 0.030 0.039 0.462 195 Y N 0.848 121.120 120.300 -0.047 0.000 2.400 195 Y HA 0.111 4.639 4.550 -0.037 0.000 0.335 195 Y C -1.913 173.968 175.900 -0.031 0.000 1.066 195 Y CA -0.206 57.864 58.100 -0.049 0.000 1.285 195 Y CB 1.192 39.597 38.460 -0.091 0.000 1.103 195 Y HN -0.586 7.698 8.280 0.109 0.061 0.490 196 R N 7.446 127.750 120.500 -0.327 0.000 2.247 196 R HA 0.206 4.400 4.340 -0.244 0.000 0.329 196 R C -1.332 174.725 176.300 -0.406 0.000 1.014 196 R CA -1.755 54.175 56.100 -0.283 0.000 0.907 196 R CB -0.807 29.412 30.300 -0.135 0.000 1.146 196 R HN -0.110 8.011 8.270 -0.247 0.000 0.499 197 F N 5.762 125.315 119.950 -0.661 0.000 2.467 197 F HA -0.084 4.255 4.527 -0.631 -0.190 0.362 197 F C -0.158 175.486 175.800 -0.259 0.000 1.090 197 F CA -0.119 57.531 58.000 -0.583 0.000 1.202 197 F CB 1.369 39.976 39.000 -0.656 0.000 1.113 197 F HN 0.184 8.264 8.300 -0.366 0.000 0.541 198 G N 6.816 115.095 108.800 -0.869 0.000 4.110 198 G HA2 0.261 3.961 3.960 -0.433 0.000 0.292 198 G HA3 0.261 4.071 3.960 -0.372 -0.074 0.292 198 G C -1.368 173.111 174.900 -0.702 0.000 1.020 198 G CA -0.517 44.225 45.100 -0.596 0.000 0.808 198 G HN 0.332 8.146 8.290 -0.891 -0.058 0.474 199 G N -0.311 107.641 108.800 -1.413 0.000 2.773 199 G HA2 0.347 4.085 3.960 -0.369 0.000 0.186 199 G HA3 0.347 4.225 3.960 -0.557 -0.253 0.186 199 G C -2.207 172.535 174.900 -0.263 0.000 1.411 199 G CA -1.339 43.352 45.100 -0.681 0.000 1.054 199 G HN -0.706 5.968 8.290 -2.695 0.000 0.579 200 L N -1.300 120.037 121.223 0.190 0.000 2.356 200 L HA 0.539 5.267 4.340 0.363 -0.170 0.277 200 L C -2.291 174.942 176.870 0.606 0.000 0.996 200 L CA -1.148 53.910 54.840 0.363 0.000 0.822 200 L CB 3.378 45.559 42.059 0.204 0.000 1.256 200 L HN -0.677 7.678 8.230 0.207 0.000 0.413 201 A N 5.962 129.172 122.820 0.649 0.000 2.303 201 A HA 0.699 5.504 4.320 0.490 -0.191 0.320 201 A C -2.217 175.626 177.584 0.433 0.000 1.192 201 A CA -1.856 50.505 52.037 0.541 0.000 0.821 201 A CB 3.004 22.298 19.000 0.490 0.000 1.188 201 A HN 0.708 9.274 8.150 0.693 0.000 0.492 202 W N 6.048 127.413 121.300 0.107 0.000 2.587 202 W HA 0.611 5.280 4.660 -0.305 -0.192 0.324 202 W C -2.907 173.546 176.519 -0.110 0.000 1.008 202 W CA -3.279 54.000 57.345 -0.109 0.000 1.265 202 W CB 2.959 32.400 29.460 -0.032 0.000 1.328 202 W HN 0.646 9.090 8.180 0.440 0.000 0.432 203 L N 8.004 129.316 121.223 0.148 0.000 2.275 203 L HA 0.620 5.107 4.340 -0.018 -0.158 0.288 203 L C -2.665 174.202 176.870 -0.006 0.000 1.046 203 L CA -1.265 53.604 54.840 0.049 0.000 0.805 203 L CB 2.141 44.212 42.059 0.021 0.000 1.193 203 L HN 0.364 8.582 8.230 -0.019 0.000 0.426 204 F N 6.436 126.373 119.950 -0.021 0.000 2.444 204 F HA 0.864 5.653 4.527 0.060 -0.226 0.342 204 F C -1.527 174.320 175.800 0.079 0.000 1.121 204 F CA -1.608 56.397 58.000 0.008 0.000 0.997 204 F CB 2.609 41.546 39.000 -0.104 0.000 1.130 204 F HN 0.790 9.219 8.300 0.215 0.000 0.454 205 L N 4.248 125.634 121.223 0.272 0.000 2.376 205 L HA 0.802 5.498 4.340 0.280 -0.189 0.275 205 L C -1.988 175.015 176.870 0.223 0.000 0.987 205 L CA -1.393 53.610 54.840 0.272 0.000 0.828 205 L CB 4.347 46.609 42.059 0.338 0.000 1.249 205 L HN 0.334 8.695 8.230 0.218 0.000 0.409 206 G N 5.529 114.460 108.800 0.218 0.000 2.368 206 G HA2 0.755 5.024 3.960 0.165 0.000 0.320 206 G HA3 0.755 4.836 3.960 0.201 0.000 0.320 206 G C -2.382 172.623 174.900 0.175 0.000 1.158 206 G CA -0.928 44.285 45.100 0.188 0.000 0.912 206 G HN 0.553 8.981 8.290 0.229 0.000 0.456 207 V N 0.265 120.264 119.914 0.141 0.000 3.156 207 V HA 0.433 4.633 4.120 0.135 0.000 0.310 207 V C -1.555 174.593 176.094 0.089 0.000 1.234 207 V CA -3.047 59.327 62.300 0.124 0.000 1.065 207 V CB 3.776 35.671 31.823 0.120 0.000 1.088 207 V HN 0.212 8.476 8.190 0.123 0.000 0.451 208 A N -1.509 121.358 122.820 0.077 0.000 1.930 208 A HA 0.262 4.613 4.320 0.052 0.000 0.215 208 A C -0.451 177.147 177.584 0.024 0.000 1.176 208 A CA 2.433 54.501 52.037 0.052 0.000 0.632 208 A CB 0.089 19.122 19.000 0.056 0.000 0.819 208 A HN 0.550 8.749 8.150 0.082 0.000 0.445 209 N N -8.469 110.249 118.700 0.030 0.000 3.116 209 N HA 0.209 5.149 4.740 0.007 -0.195 0.244 209 N C 1.083 176.608 175.510 0.026 0.000 1.485 209 N CA -1.182 51.878 53.050 0.016 0.000 0.884 209 N CB 0.721 39.213 38.487 0.009 0.000 1.415 209 N HN -0.736 7.669 8.380 0.042 0.000 0.524 210 S N -1.444 114.268 115.700 0.020 0.000 2.383 210 S HA -0.311 4.180 4.470 0.034 0.000 0.229 210 S C 1.619 176.235 174.600 0.027 0.000 1.030 210 S CA 3.870 62.085 58.200 0.026 0.000 1.002 210 S CB -0.483 62.728 63.200 0.018 0.000 0.829 210 S HN 0.449 9.610 8.310 0.013 -0.843 0.467 211 D N 1.335 121.746 120.400 0.019 0.000 2.350 211 D HA -0.057 4.589 4.640 0.011 0.000 0.216 211 D C 1.156 177.466 176.300 0.017 0.000 0.968 211 D CA 2.580 56.588 54.000 0.014 0.000 0.894 211 D CB -0.257 40.549 40.800 0.009 0.000 0.909 211 D HN 0.418 8.859 8.370 0.016 -0.061 0.520 212 S N -1.036 114.681 115.700 0.029 0.000 2.575 212 S HA 0.084 4.571 4.470 0.028 0.000 0.215 212 S C -0.210 174.419 174.600 0.049 0.000 0.966 212 S CA -0.185 58.038 58.200 0.038 0.000 0.911 212 S CB 0.243 63.474 63.200 0.051 0.000 0.780 212 S HN -0.651 7.618 8.310 0.032 0.061 0.514 213 L N 0.602 121.858 121.223 0.056 0.000 2.461 213 L HA -0.063 4.355 4.340 0.130 0.000 0.272 213 L C -0.483 176.407 176.870 0.034 0.000 1.197 213 L CA 0.410 55.305 54.840 0.092 0.000 0.836 213 L CB 0.811 42.939 42.059 0.115 0.000 1.105 213 L HN -0.932 7.265 8.230 0.048 0.062 0.477 214 L N 0.589 121.855 121.223 0.071 0.000 2.343 214 L HA 0.154 4.304 4.340 -0.318 0.000 0.278 214 L C -0.854 175.981 176.870 -0.058 0.000 0.996 214 L CA -0.724 54.029 54.840 -0.145 0.000 0.831 214 L CB 0.715 42.720 42.059 -0.091 0.000 1.232 214 L HN 0.093 8.436 8.230 0.188 0.000 0.413 215 Y N -3.971 116.275 120.300 -0.091 0.000 4.272 215 Y HA -0.480 3.864 4.550 -0.343 0.000 0.232 215 Y C 0.227 175.848 175.900 -0.465 0.000 1.149 215 Y CA 0.189 58.062 58.100 -0.378 0.000 1.961 215 Y CB -2.777 35.300 38.460 -0.639 0.000 1.611 215 Y HN 0.535 8.529 8.280 -0.477 0.000 0.682 216 D N -0.661 119.735 120.400 -0.006 0.000 2.144 216 D HA -0.350 4.513 4.640 0.373 0.000 0.199 216 D C 1.589 177.919 176.300 0.050 0.000 0.984 216 D CA 2.622 56.724 54.000 0.169 0.000 0.834 216 D CB -0.043 40.889 40.800 0.220 0.000 0.955 216 D HN 0.347 8.697 8.370 -0.001 0.020 0.465 217 E N -2.013 118.157 120.200 -0.051 0.000 2.106 217 E HA -0.329 4.013 4.350 -0.013 0.000 0.192 217 E C 2.296 178.785 176.600 -0.185 0.000 0.984 217 E CA 3.150 59.507 56.400 -0.071 0.000 0.806 217 E CB -0.559 29.098 29.700 -0.073 0.000 0.750 217 E HN 0.374 8.696 8.360 -0.062 0.000 0.458 218 E N 0.620 120.615 120.200 -0.342 0.000 2.051 218 E HA -0.279 3.779 4.350 -0.488 0.000 0.192 218 E C 2.007 178.190 176.600 -0.696 0.000 0.991 218 E CA 2.828 58.892 56.400 -0.560 0.000 0.799 218 E CB -0.251 29.066 29.700 -0.637 0.000 0.748 218 E HN -0.604 7.557 8.360 -0.332 0.000 0.449 219 F N -3.269 116.463 119.950 -0.363 0.000 2.186 219 F HA -0.201 4.055 4.527 -0.450 0.000 0.299 219 F C 2.429 178.113 175.800 -0.194 0.000 1.090 219 F CA 1.780 59.528 58.000 -0.421 0.000 1.307 219 F CB -0.637 37.933 39.000 -0.717 0.000 1.019 219 F HN -0.576 7.329 8.300 -0.659 0.000 0.489 220 T N 0.920 115.556 114.554 0.136 0.000 2.833 220 T HA -0.456 4.135 4.350 0.402 0.000 0.269 220 T C 1.301 176.060 174.700 0.098 0.000 1.054 220 T CA 4.894 67.137 62.100 0.239 0.000 1.135 220 T CB -0.139 68.867 68.868 0.231 0.000 0.869 220 T HN -0.025 8.280 8.240 0.108 0.000 0.466 221 S N 1.198 116.853 115.700 -0.075 0.000 2.402 221 S HA -0.288 4.159 4.470 -0.039 0.000 0.229 221 S C 1.833 176.408 174.600 -0.042 0.000 1.021 221 S CA 2.722 60.861 58.200 -0.103 0.000 0.974 221 S CB -0.644 62.437 63.200 -0.198 0.000 0.800 221 S HN -0.439 7.762 8.310 -0.151 0.018 0.484 222 Y N -0.132 120.135 120.300 -0.055 0.000 2.274 222 Y HA -0.223 4.247 4.550 -0.134 0.000 0.290 222 Y C 1.922 177.831 175.900 0.016 0.000 1.145 222 Y CA 1.307 59.293 58.100 -0.190 0.000 1.203 222 Y CB -0.926 37.053 38.460 -0.801 0.000 0.984 222 Y HN -0.800 7.200 8.280 -0.315 0.091 0.533 223 L N -2.815 118.626 121.223 0.363 0.000 2.127 223 L HA -0.384 4.165 4.340 0.350 0.000 0.211 223 L C 1.830 178.776 176.870 0.126 0.000 1.089 223 L CA 2.783 57.798 54.840 0.292 0.000 0.757 223 L CB -0.669 41.544 42.059 0.256 0.000 0.899 223 L HN -0.562 7.873 8.230 0.368 0.016 0.434 224 K N -2.843 117.605 120.400 0.079 0.000 2.186 224 K HA -0.197 4.128 4.320 0.008 0.000 0.202 224 K C 1.953 178.521 176.600 -0.053 0.000 1.052 224 K CA 2.178 58.471 56.287 0.010 0.000 0.965 224 K CB -0.060 32.441 32.500 0.002 0.000 0.746 224 K HN -0.663 7.528 8.250 0.094 0.115 0.457 225 Q N -2.845 116.914 119.800 -0.067 0.000 2.163 225 Q HA -0.145 4.029 4.340 -0.277 0.000 0.198 225 Q C 0.937 176.588 176.000 -0.582 0.000 0.954 225 Q CA 2.276 57.918 55.803 -0.269 0.000 0.851 225 Q CB 1.492 30.146 28.738 -0.139 0.000 0.928 225 Q HN -0.599 7.585 8.270 0.007 0.090 0.459 226 Y N -4.411 115.821 120.300 -0.113 0.000 2.473 226 Y HA 0.467 4.967 4.550 -0.083 0.000 0.345 226 Y C -1.685 174.169 175.900 -0.077 0.000 0.932 226 Y CA -2.378 55.628 58.100 -0.157 0.000 1.124 226 Y CB 0.127 38.281 38.460 -0.509 0.000 1.162 226 Y HN -0.306 7.969 8.280 -0.008 0.000 0.629 227 P HA -0.051 4.474 4.420 0.048 -0.075 0.220 227 P C -0.461 176.853 177.300 0.023 0.000 1.148 227 P CA 1.782 64.900 63.100 0.030 0.000 0.803 227 P CB 0.546 32.245 31.700 -0.003 0.000 0.782 228 D N -3.874 116.552 120.400 0.044 0.000 2.340 228 D HA -0.030 4.612 4.640 0.003 0.000 0.220 228 D C -0.032 176.312 176.300 0.073 0.000 1.039 228 D CA 0.086 54.107 54.000 0.034 0.000 0.866 228 D CB 0.098 40.914 40.800 0.026 0.000 0.913 228 D HN 0.127 8.497 8.370 0.053 0.033 0.523 229 N N -2.199 116.592 118.700 0.152 0.000 2.118 229 N HA 0.081 5.040 4.740 0.205 -0.095 0.226 229 N C -2.051 173.708 175.510 0.415 0.000 1.305 229 N CA 0.222 53.438 53.050 0.275 0.000 0.890 229 N CB 3.138 41.878 38.487 0.421 0.000 1.118 229 N HN -0.442 7.853 8.380 0.154 0.177 0.511 230 F N 1.352 121.321 119.950 0.030 0.000 2.569 230 F HA 0.887 5.726 4.527 0.125 -0.236 0.312 230 F C -2.368 173.363 175.800 -0.114 0.000 1.109 230 F CA -1.844 56.153 58.000 -0.005 0.000 0.919 230 F CB 3.650 42.525 39.000 -0.208 0.000 1.211 230 F HN -0.743 7.666 8.300 0.181 0.000 0.446 231 R N 4.136 124.057 120.500 -0.964 0.000 2.807 231 R HA 0.381 4.240 4.340 -0.802 0.000 0.276 231 R C -2.808 172.826 176.300 -1.110 0.000 0.979 231 R CA -1.813 53.640 56.100 -1.079 0.000 0.928 231 R CB 4.534 33.873 30.300 -1.602 0.000 1.191 231 R HN 0.270 8.014 8.270 -0.876 0.000 0.471 232 Y N 2.292 122.118 120.300 -0.789 0.000 2.362 232 Y HA 0.705 5.193 4.550 -0.452 -0.209 0.326 232 Y C -2.171 173.582 175.900 -0.246 0.000 1.083 232 Y CA -1.357 56.466 58.100 -0.460 0.000 1.073 232 Y CB 2.797 41.110 38.460 -0.245 0.000 1.211 232 Y HN 0.283 8.271 8.280 -0.486 0.000 0.433 233 D N 7.840 128.025 120.400 -0.358 0.000 2.780 233 D HA 0.386 4.840 4.640 -0.309 0.000 0.242 233 D C -1.867 174.280 176.300 -0.254 0.000 1.135 233 D CA -0.413 53.388 54.000 -0.333 0.000 0.859 233 D CB 4.619 45.263 40.800 -0.260 0.000 1.530 233 D HN 0.446 8.645 8.370 -0.285 0.000 0.493 234 K N 1.392 121.673 120.400 -0.198 0.000 2.259 234 K HA 0.765 5.276 4.320 -0.009 -0.196 0.249 234 K C -1.185 175.432 176.600 0.028 0.000 0.942 234 K CA -1.443 54.800 56.287 -0.073 0.000 0.816 234 K CB 3.530 35.951 32.500 -0.133 0.000 1.155 234 K HN 0.288 8.418 8.250 -0.200 0.000 0.428 235 A N 3.297 126.161 122.820 0.074 0.000 2.335 235 A HA 0.484 4.971 4.320 0.042 -0.142 0.304 235 A C -2.423 175.183 177.584 0.036 0.000 1.118 235 A CA -1.469 50.606 52.037 0.063 0.000 0.757 235 A CB 3.246 22.311 19.000 0.108 0.000 1.188 235 A HN 0.710 8.916 8.150 0.094 0.000 0.460 236 L N 5.536 126.754 121.223 -0.009 0.000 2.277 236 L HA 0.679 5.216 4.340 0.004 -0.196 0.284 236 L C 1.188 178.001 176.870 -0.095 0.000 1.028 236 L CA -1.717 53.109 54.840 -0.023 0.000 0.835 236 L CB 0.537 42.587 42.059 -0.014 0.000 1.215 236 L HN 0.037 8.566 8.230 -0.019 -0.311 0.425 237 S N 5.453 121.080 115.700 -0.121 0.000 2.383 237 S HA -0.079 4.355 4.470 -0.487 -0.257 0.227 237 S C 1.037 175.517 174.600 -0.200 0.000 1.026 237 S CA 1.666 59.687 58.200 -0.299 0.000 0.981 237 S CB 0.420 63.473 63.200 -0.244 0.000 0.818 237 S HN 0.414 8.691 8.310 -0.055 0.000 0.472 238 R N 1.135 121.580 120.500 -0.091 0.000 2.575 238 R HA 0.247 4.548 4.340 -0.065 0.000 0.281 238 R C -1.392 174.882 176.300 -0.042 0.000 1.272 238 R CA -0.043 56.024 56.100 -0.056 0.000 1.417 238 R CB -0.221 30.066 30.300 -0.023 0.000 1.121 238 R HN -0.377 7.854 8.270 -0.064 0.000 0.583 239 E N -1.546 118.624 120.200 -0.050 0.000 1.306 239 E HA -0.076 4.258 4.350 -0.027 0.000 0.217 239 E C -0.307 176.270 176.600 -0.038 0.000 1.057 239 E CA 0.388 56.767 56.400 -0.035 0.000 1.133 239 E CB 0.752 30.437 29.700 -0.025 0.000 4.662 239 E HN 0.230 8.552 8.360 -0.064 0.000 0.697 249 Y N 3.252 123.576 120.300 0.041 0.000 2.534 249 Y HA 0.319 4.903 4.550 0.056 0.000 0.329 249 Y C 0.597 176.536 175.900 0.065 0.000 1.154 249 Y CA -1.073 57.057 58.100 0.050 0.000 1.192 249 Y CB 2.239 40.720 38.460 0.036 0.000 1.275 249 Y HN 0.272 8.896 8.280 0.012 -0.337 0.491 250 V N 3.001 123.074 119.914 0.265 0.000 2.392 250 V HA -0.370 3.877 4.120 0.211 0.000 0.249 250 V C 1.269 177.438 176.094 0.124 0.000 1.059 250 V CA 3.607 66.024 62.300 0.195 0.000 1.051 250 V CB -0.024 31.914 31.823 0.192 0.000 0.658 250 V HN 0.457 8.832 8.190 0.309 0.000 0.455 251 Q N -3.303 116.565 119.800 0.113 0.000 2.226 251 Q HA -0.244 4.091 4.340 -0.009 0.000 0.204 251 Q C 2.135 178.158 176.000 0.038 0.000 0.975 251 Q CA 3.193 59.020 55.803 0.039 0.000 0.866 251 Q CB -1.417 27.334 28.738 0.021 0.000 0.915 251 Q HN 0.457 8.803 8.270 0.152 0.015 0.440 252 D N 0.138 120.593 120.400 0.092 0.000 2.178 252 D HA -0.166 4.499 4.640 0.042 0.000 0.202 252 D C 1.944 178.288 176.300 0.074 0.000 0.974 252 D CA 3.125 57.165 54.000 0.067 0.000 0.841 252 D CB -0.511 40.334 40.800 0.075 0.000 0.953 252 D HN -0.329 7.996 8.370 0.137 0.127 0.478 253 K N -0.732 119.751 120.400 0.138 0.000 2.103 253 K HA -0.139 4.321 4.320 0.233 0.000 0.204 253 K C 2.350 179.120 176.600 0.284 0.000 1.052 253 K CA 2.200 58.648 56.287 0.267 0.000 0.945 253 K CB -0.366 32.406 32.500 0.454 0.000 0.722 253 K HN -0.752 7.585 8.250 0.145 0.000 0.443 254 I N -0.972 119.585 120.570 -0.022 0.000 2.208 254 I HA -0.490 3.437 4.170 -0.405 0.000 0.245 254 I C 2.341 178.441 176.117 -0.028 0.000 1.097 254 I CA 3.936 65.102 61.300 -0.223 0.000 1.363 254 I CB -0.137 37.661 38.000 -0.337 0.000 1.051 254 I HN -0.291 7.891 8.210 -0.046 0.000 0.413 255 E N 0.285 120.473 120.200 -0.020 0.000 2.110 255 E HA -0.405 3.908 4.350 -0.061 0.000 0.193 255 E C 2.216 178.794 176.600 -0.036 0.000 0.988 255 E CA 3.087 59.464 56.400 -0.039 0.000 0.804 255 E CB -0.356 29.317 29.700 -0.045 0.000 0.745 255 E HN -0.324 8.016 8.360 -0.016 0.010 0.458 256 E N -2.052 118.124 120.200 -0.040 0.000 2.160 256 E HA -0.248 4.005 4.350 -0.162 0.000 0.195 256 E C 0.908 177.353 176.600 -0.258 0.000 0.991 256 E CA 2.276 58.565 56.400 -0.185 0.000 0.810 256 E CB 0.215 29.750 29.700 -0.275 0.000 0.742 256 E HN -0.605 7.756 8.360 0.001 0.000 0.466 257 Y N -3.498 116.871 120.300 0.115 0.000 2.751 257 Y HA 0.206 4.875 4.550 0.197 0.000 0.289 257 Y C -0.047 175.908 175.900 0.093 0.000 1.110 257 Y CA -0.970 57.233 58.100 0.172 0.000 1.251 257 Y CB -0.527 38.120 38.460 0.313 0.000 1.178 257 Y HN -0.598 7.648 8.280 0.185 0.145 0.540 258 S N 1.475 117.239 115.700 0.106 0.000 2.368 258 S HA -0.331 4.182 4.470 0.072 0.000 0.225 258 S C 1.806 176.444 174.600 0.063 0.000 1.030 258 S CA 3.498 61.710 58.200 0.021 0.000 0.999 258 S CB -0.080 63.022 63.200 -0.163 0.000 0.844 258 S HN -0.672 7.604 8.310 0.048 0.063 0.459 259 D N 1.643 122.082 120.400 0.064 0.000 2.117 259 D HA -0.376 4.297 4.640 0.055 0.000 0.198 259 D C 2.039 178.463 176.300 0.207 0.000 0.982 259 D CA 3.433 57.492 54.000 0.098 0.000 0.828 259 D CB -0.572 40.270 40.800 0.070 0.000 0.967 259 D HN 0.522 8.925 8.370 0.056 0.000 0.464 260 E N -0.758 119.602 120.200 0.267 0.000 2.085 260 E HA -0.307 4.211 4.350 0.280 0.000 0.194 260 E C 2.548 179.348 176.600 0.333 0.000 0.994 260 E CA 2.989 59.590 56.400 0.335 0.000 0.801 260 E CB -0.198 29.793 29.700 0.486 0.000 0.743 260 E HN 0.081 8.605 8.360 0.273 0.000 0.453 261 I N -0.376 120.371 120.570 0.296 0.000 2.202 261 I HA -0.469 3.801 4.170 0.166 0.000 0.242 261 I C 1.960 178.246 176.117 0.283 0.000 1.091 261 I CA 4.056 65.482 61.300 0.211 0.000 1.368 261 I CB -0.028 38.019 38.000 0.077 0.000 1.058 261 I HN -0.193 8.193 8.210 0.294 0.000 0.410 262 F N -0.636 119.369 119.950 0.091 0.000 2.171 262 F HA -0.381 4.220 4.527 0.122 0.000 0.300 262 F C 2.002 177.864 175.800 0.103 0.000 1.090 262 F CA 2.986 61.049 58.000 0.105 0.000 1.293 262 F CB -1.000 38.059 39.000 0.097 0.000 1.013 262 F HN -0.177 8.473 8.300 0.583 0.000 0.486 263 K N -0.218 120.349 120.400 0.278 0.000 2.097 263 K HA -0.340 4.080 4.320 0.166 0.000 0.206 263 K C 2.502 179.188 176.600 0.144 0.000 1.049 263 K CA 3.580 59.978 56.287 0.184 0.000 0.933 263 K CB -0.128 32.473 32.500 0.169 0.000 0.717 263 K HN -0.387 8.045 8.250 0.303 0.000 0.442 264 L N -1.076 120.245 121.223 0.164 0.000 2.056 264 L HA -0.354 4.060 4.340 0.122 0.000 0.207 264 L C 2.042 178.959 176.870 0.077 0.000 1.078 264 L CA 3.082 58.003 54.840 0.135 0.000 0.749 264 L CB -0.234 41.940 42.059 0.192 0.000 0.901 264 L HN -0.397 7.953 8.230 0.201 0.000 0.433 265 L N -0.526 120.731 121.223 0.056 0.000 2.012 265 L HA -0.401 3.936 4.340 -0.005 0.000 0.210 265 L C 2.983 179.846 176.870 -0.012 0.000 1.073 265 L CA 3.038 57.877 54.840 -0.002 0.000 0.748 265 L CB -0.590 41.434 42.059 -0.058 0.000 0.891 265 L HN -0.106 8.170 8.230 0.077 0.000 0.431 266 D N -1.780 118.630 120.400 0.016 0.000 2.218 266 D HA -0.176 4.461 4.640 -0.005 0.000 0.204 266 D C 1.645 177.953 176.300 0.014 0.000 0.976 266 D CA 2.288 56.298 54.000 0.017 0.000 0.853 266 D CB -0.474 40.359 40.800 0.054 0.000 0.939 266 D HN -0.231 8.163 8.370 0.040 0.000 0.481 267 G N -3.919 104.897 108.800 0.026 0.000 2.920 267 G HA2 0.043 4.014 3.960 0.018 0.000 0.208 267 G HA3 0.043 4.023 3.960 0.033 0.000 0.208 267 G C 0.082 174.979 174.900 -0.005 0.000 1.159 267 G CA -0.180 44.932 45.100 0.020 0.000 0.784 267 G HN -0.500 7.694 8.290 0.041 0.120 0.535 268 G N -0.778 108.002 108.800 -0.033 0.000 2.168 268 G HA2 -0.248 3.651 3.960 -0.101 0.000 0.197 268 G HA3 -0.248 3.671 3.960 -0.068 0.000 0.197 268 G C -0.629 174.179 174.900 -0.153 0.000 0.997 268 G CA -0.516 44.533 45.100 -0.085 0.000 0.658 268 G HN -0.531 7.562 8.290 -0.029 0.180 0.513 269 A N 0.555 123.323 122.820 -0.086 0.000 2.520 269 A HA -0.096 4.300 4.320 -0.064 -0.114 0.235 269 A C 0.846 178.326 177.584 -0.173 0.000 1.065 269 A CA 0.238 52.233 52.037 -0.070 0.000 0.764 269 A CB 0.339 19.365 19.000 0.043 0.000 1.002 269 A HN -0.559 7.568 8.150 -0.039 0.000 0.502 270 H N 3.342 122.431 119.070 0.032 0.000 2.525 270 H HA 0.283 4.854 4.556 0.025 0.000 0.339 270 H C -1.019 174.295 175.328 -0.024 0.000 1.109 270 H CA -0.176 55.892 56.048 0.034 0.000 1.352 270 H CB 0.915 30.764 29.762 0.144 0.000 1.461 270 H HN 0.069 nan 8.280 nan 0.000 0.533 271 I N 1.809 122.323 120.570 -0.094 0.000 2.582 271 I HA 0.731 5.080 4.170 -0.073 -0.222 0.292 271 I C -2.612 173.216 176.117 -0.481 0.000 1.066 271 I CA -1.423 59.748 61.300 -0.215 0.000 1.053 271 I CB 3.242 41.151 38.000 -0.153 0.000 1.241 271 I HN 0.313 8.465 8.210 -0.097 0.000 0.421 272 Y N 3.518 123.626 120.300 -0.320 0.000 2.462 272 Y HA 0.780 5.586 4.550 0.043 -0.230 0.346 272 Y C -1.056 174.544 175.900 -0.500 0.000 0.976 272 Y CA -2.820 55.200 58.100 -0.133 0.000 1.044 272 Y CB 3.217 41.841 38.460 0.274 0.000 1.230 272 Y HN 0.340 8.486 8.280 -0.224 0.000 0.455 273 F N 0.248 120.316 119.950 0.197 0.000 2.547 273 F HA 0.852 5.717 4.527 0.189 -0.225 0.316 273 F C -1.331 174.571 175.800 0.170 0.000 1.121 273 F CA -1.749 56.330 58.000 0.130 0.000 0.911 273 F CB 3.812 42.760 39.000 -0.087 0.000 1.179 273 F HN 0.409 8.905 8.300 0.326 0.000 0.443 274 C N 1.647 121.132 119.300 0.310 0.000 2.880 274 C HA 1.036 5.784 4.460 0.087 -0.236 0.320 274 C C -0.837 174.174 174.990 0.034 0.000 1.176 274 C CA -1.400 57.681 59.018 0.105 0.000 1.390 274 C CB 3.013 30.697 27.740 -0.095 0.000 1.846 274 C HN 0.152 8.597 8.230 0.357 0.000 0.478 275 G N 5.672 114.352 108.800 -0.201 0.000 2.302 275 G HA2 -0.036 3.766 3.960 -0.264 0.000 0.276 275 G HA3 -0.036 3.940 3.960 -0.132 -0.095 0.276 275 G C -2.467 171.945 174.900 -0.814 0.000 1.316 275 G CA -0.214 44.675 45.100 -0.352 0.000 0.988 275 G HN -0.299 7.816 8.290 -0.291 0.000 0.479 276 L N 0.468 121.412 121.223 -0.464 0.000 2.453 276 L HA -0.036 4.189 4.340 -0.502 -0.186 0.272 276 L C 2.236 178.976 176.870 -0.216 0.000 1.182 276 L CA 0.206 54.843 54.840 -0.339 0.000 0.858 276 L CB 0.178 42.183 42.059 -0.089 0.000 1.120 276 L HN 0.279 8.361 8.230 -0.247 0.000 0.474 277 K N 4.098 124.400 120.400 -0.163 0.000 2.280 277 K HA -0.239 4.020 4.320 -0.101 0.000 0.202 277 K C 2.251 178.817 176.600 -0.056 0.000 1.047 277 K CA 2.965 59.198 56.287 -0.089 0.000 0.942 277 K CB -0.694 31.782 32.500 -0.041 0.000 0.739 277 K HN 0.401 8.561 8.250 -0.151 0.000 0.457 278 G N -0.407 108.364 108.800 -0.048 0.000 2.501 278 G HA2 -0.223 3.713 3.960 -0.040 0.000 0.220 278 G HA3 -0.223 3.715 3.960 -0.037 0.000 0.220 278 G C 0.593 175.458 174.900 -0.059 0.000 1.114 278 G CA 1.441 46.514 45.100 -0.044 0.000 0.757 278 G HN 0.286 8.514 8.290 -0.047 0.033 0.559 279 M N -1.731 117.839 119.600 -0.050 0.000 2.394 279 M HA -0.072 4.376 4.480 -0.053 0.000 0.264 279 M C 1.421 177.694 176.300 -0.044 0.000 1.073 279 M CA 2.753 58.032 55.300 -0.035 0.000 1.111 279 M CB 0.057 32.666 32.600 0.015 0.000 1.401 279 M HN -0.575 7.625 8.290 -0.053 0.059 0.448 280 M N -0.632 118.937 119.600 -0.052 0.000 2.193 280 M HA 0.158 4.583 4.480 -0.092 0.000 0.265 280 M C -1.069 175.195 176.300 -0.059 0.000 1.071 280 M CA 2.171 57.429 55.300 -0.070 0.000 1.140 280 M CB -3.429 29.130 32.600 -0.069 0.000 1.369 280 M HN -0.236 7.977 8.290 -0.051 0.047 0.423 281 P HA -0.221 4.181 4.420 -0.030 0.000 0.216 281 P C 1.318 178.583 177.300 -0.060 0.000 1.153 281 P CA 3.196 66.269 63.100 -0.045 0.000 0.858 281 P CB -0.662 31.011 31.700 -0.044 0.000 0.789 282 G N -3.440 105.310 108.800 -0.084 0.000 2.408 282 G HA2 -0.246 3.664 3.960 -0.084 0.000 0.217 282 G HA3 -0.246 3.641 3.960 -0.123 0.000 0.217 282 G C 1.179 176.036 174.900 -0.071 0.000 1.150 282 G CA 1.571 46.616 45.100 -0.092 0.000 0.776 282 G HN 0.078 8.311 8.290 -0.095 0.000 0.542 283 I N 2.289 122.821 120.570 -0.062 0.000 2.226 283 I HA -0.560 3.581 4.170 -0.047 0.000 0.245 283 I C 1.695 177.749 176.117 -0.105 0.000 1.100 283 I CA 3.809 65.073 61.300 -0.060 0.000 1.374 283 I CB -0.146 37.830 38.000 -0.039 0.000 1.057 283 I HN -0.851 7.322 8.210 -0.062 0.000 0.413 284 Q N -1.160 118.592 119.800 -0.080 0.000 2.124 284 Q HA -0.365 3.918 4.340 -0.095 0.000 0.202 284 Q C 2.774 178.702 176.000 -0.119 0.000 0.977 284 Q CA 3.246 59.010 55.803 -0.065 0.000 0.850 284 Q CB -0.749 28.014 28.738 0.040 0.000 0.901 284 Q HN -0.087 8.145 8.270 -0.063 0.000 0.429 285 D N 0.557 120.909 120.400 -0.080 0.000 2.097 285 D HA -0.224 4.385 4.640 -0.052 0.000 0.195 285 D C 2.466 178.701 176.300 -0.108 0.000 0.989 285 D CA 3.401 57.359 54.000 -0.071 0.000 0.827 285 D CB -0.369 40.400 40.800 -0.050 0.000 0.966 285 D HN -0.165 8.165 8.370 -0.067 0.000 0.456 286 T N 3.272 117.755 114.554 -0.118 0.000 2.708 286 T HA -0.384 3.906 4.350 -0.099 0.000 0.266 286 T C 2.120 176.695 174.700 -0.207 0.000 1.037 286 T CA 4.725 66.749 62.100 -0.126 0.000 1.146 286 T CB 0.027 68.839 68.868 -0.093 0.000 0.865 286 T HN -0.434 7.743 8.240 -0.105 0.000 0.435 287 L N 0.087 121.098 121.223 -0.353 0.000 2.083 287 L HA -0.418 3.679 4.340 -0.404 0.000 0.209 287 L C 1.440 177.975 176.870 -0.558 0.000 1.083 287 L CA 3.288 57.742 54.840 -0.643 0.000 0.752 287 L CB -0.535 40.690 42.059 -1.390 0.000 0.899 287 L HN -0.060 7.970 8.230 -0.333 0.000 0.433 288 K N -0.624 119.535 120.400 -0.402 0.000 2.057 288 K HA -0.403 3.975 4.320 0.096 0.000 0.207 288 K C 2.169 178.754 176.600 -0.025 0.000 1.049 288 K CA 3.590 59.839 56.287 -0.063 0.000 0.931 288 K CB -0.270 32.241 32.500 0.019 0.000 0.714 288 K HN -0.262 7.744 8.250 -0.407 0.000 0.440 289 K N -0.923 119.432 120.400 -0.075 0.000 2.057 289 K HA -0.274 4.024 4.320 -0.036 0.000 0.206 289 K C 2.452 178.997 176.600 -0.091 0.000 1.050 289 K CA 3.352 59.602 56.287 -0.062 0.000 0.935 289 K CB -0.055 32.406 32.500 -0.065 0.000 0.715 289 K HN -0.553 7.634 8.250 -0.105 0.000 0.439 290 V N -0.578 119.247 119.914 -0.148 0.000 2.287 290 V HA -0.414 3.569 4.120 -0.228 0.000 0.248 290 V C 1.627 177.560 176.094 -0.267 0.000 1.053 290 V CA 3.616 65.763 62.300 -0.256 0.000 1.027 290 V CB -0.772 30.820 31.823 -0.384 0.000 0.646 290 V HN -0.114 7.983 8.190 -0.156 0.000 0.447 291 A N -0.983 121.783 122.820 -0.090 0.000 1.877 291 A HA -0.375 3.975 4.320 0.051 0.000 0.216 291 A C 1.723 179.336 177.584 0.050 0.000 1.186 291 A CA 3.299 55.397 52.037 0.102 0.000 0.620 291 A CB -0.917 18.335 19.000 0.421 0.000 0.822 291 A HN -0.191 7.938 8.150 -0.034 0.000 0.443 292 E N -0.784 119.438 120.200 0.036 0.000 2.085 292 E HA -0.339 4.036 4.350 0.042 0.000 0.194 292 E C 3.304 179.899 176.600 -0.010 0.000 0.994 292 E CA 2.790 59.203 56.400 0.022 0.000 0.801 292 E CB -0.002 29.708 29.700 0.016 0.000 0.743 292 E HN -0.308 8.074 8.360 0.037 0.000 0.453 293 R N -1.638 118.834 120.500 -0.046 0.000 2.152 293 R HA -0.214 4.103 4.340 -0.038 0.000 0.232 293 R C 2.217 178.485 176.300 -0.054 0.000 1.117 293 R CA 2.642 58.709 56.100 -0.055 0.000 0.981 293 R CB -0.057 30.196 30.300 -0.079 0.000 0.870 293 R HN -0.443 7.790 8.270 -0.061 0.000 0.451 294 R N -3.540 116.919 120.500 -0.068 0.000 2.299 294 R HA 0.011 4.324 4.340 -0.045 0.000 0.197 294 R C 0.307 176.610 176.300 0.006 0.000 0.971 294 R CA 0.108 56.182 56.100 -0.044 0.000 1.030 294 R CB -0.071 30.185 30.300 -0.073 0.000 0.932 294 R HN -0.559 7.544 8.270 -0.088 0.114 0.477 295 G N -0.922 107.886 108.800 0.014 0.000 2.176 295 G HA2 -0.413 3.561 3.960 0.025 0.000 0.252 295 G HA3 -0.413 3.561 3.960 0.024 0.000 0.252 295 G C -0.636 174.295 174.900 0.052 0.000 1.024 295 G CA 0.114 45.231 45.100 0.029 0.000 0.755 295 G HN -0.351 7.740 8.290 0.004 0.202 0.507 296 E N -0.360 119.890 120.200 0.083 0.000 2.235 296 E HA 0.255 4.661 4.350 0.093 0.000 0.265 296 E C -1.589 175.090 176.600 0.132 0.000 0.940 296 E CA -1.750 54.723 56.400 0.121 0.000 0.819 296 E CB 2.687 32.510 29.700 0.205 0.000 1.206 296 E HN -0.342 8.067 8.360 0.082 0.000 0.409 297 S N 1.208 116.972 115.700 0.108 0.000 2.430 297 S HA 0.168 4.705 4.470 0.112 0.000 0.289 297 S C 0.739 175.422 174.600 0.140 0.000 1.143 297 S CA -1.276 56.982 58.200 0.097 0.000 1.067 297 S CB 0.187 63.400 63.200 0.022 0.000 0.964 297 S HN 0.453 8.813 8.310 0.083 0.000 0.485 298 W N 8.716 130.027 121.300 0.019 0.000 2.363 298 W HA -0.319 4.350 4.660 0.016 0.000 0.296 298 W C -0.279 176.191 176.519 -0.083 0.000 1.212 298 W CA 3.442 60.784 57.345 -0.004 0.000 1.260 298 W CB 0.221 29.695 29.460 0.023 0.000 1.131 298 W HN 0.953 9.334 8.180 0.335 0.000 0.530 299 D N -1.548 118.713 120.400 -0.232 0.000 2.104 299 D HA -0.366 3.977 4.640 -0.495 0.000 0.194 299 D C 2.561 178.626 176.300 -0.391 0.000 0.994 299 D CA 3.715 57.502 54.000 -0.355 0.000 0.830 299 D CB -0.828 39.872 40.800 -0.166 0.000 0.959 299 D HN -0.260 8.090 8.370 -0.034 0.000 0.452 300 Q N -1.164 118.484 119.800 -0.254 0.000 2.084 300 Q HA -0.279 3.936 4.340 -0.209 0.000 0.202 300 Q C 2.405 178.220 176.000 -0.308 0.000 0.978 300 Q CA 2.735 58.405 55.803 -0.221 0.000 0.844 300 Q CB -0.136 28.530 28.738 -0.120 0.000 0.898 300 Q HN -0.565 7.599 8.270 -0.177 0.000 0.426 301 K N 0.337 120.518 120.400 -0.365 0.000 2.057 301 K HA -0.276 3.870 4.320 -0.290 0.000 0.206 301 K C 2.337 178.506 176.600 -0.719 0.000 1.050 301 K CA 3.272 59.300 56.287 -0.433 0.000 0.935 301 K CB -0.147 32.175 32.500 -0.295 0.000 0.715 301 K HN -0.518 7.546 8.250 -0.311 0.000 0.439 302 L N -1.063 119.443 121.223 -1.195 0.000 2.046 302 L HA -0.339 3.234 4.340 -1.277 0.000 0.208 302 L C 0.693 177.119 176.870 -0.740 0.000 1.077 302 L CA 2.696 56.788 54.840 -1.248 0.000 0.747 302 L CB -0.329 40.777 42.059 -1.588 0.000 0.896 302 L HN 0.048 7.464 8.230 -1.357 0.000 0.432 303 A N -1.860 120.630 122.820 -0.551 0.000 1.908 303 A HA -0.390 3.720 4.320 -0.350 0.000 0.218 303 A C 2.294 179.707 177.584 -0.285 0.000 1.181 303 A CA 3.307 55.130 52.037 -0.357 0.000 0.627 303 A CB -0.960 17.878 19.000 -0.270 0.000 0.818 303 A HN -0.109 7.698 8.150 -0.571 0.000 0.445 304 Q N -1.526 118.107 119.800 -0.279 0.000 2.119 304 Q HA -0.236 4.010 4.340 -0.157 0.000 0.201 304 Q C 2.588 178.477 176.000 -0.185 0.000 0.972 304 Q CA 2.461 58.146 55.803 -0.196 0.000 0.847 304 Q CB -0.324 28.316 28.738 -0.163 0.000 0.903 304 Q HN -0.568 7.504 8.270 -0.319 0.007 0.433 305 L N -0.726 120.351 121.223 -0.243 0.000 2.042 305 L HA -0.365 3.903 4.340 -0.119 0.000 0.210 305 L C 2.509 179.306 176.870 -0.121 0.000 1.076 305 L CA 3.259 58.000 54.840 -0.165 0.000 0.749 305 L CB -0.493 41.472 42.059 -0.155 0.000 0.893 305 L HN 0.013 8.048 8.230 -0.325 0.000 0.432 306 K N -1.896 118.384 120.400 -0.200 0.000 2.057 306 K HA -0.367 3.926 4.320 -0.045 0.000 0.206 306 K C 2.187 178.744 176.600 -0.072 0.000 1.050 306 K CA 3.211 59.428 56.287 -0.118 0.000 0.935 306 K CB -0.185 32.204 32.500 -0.185 0.000 0.715 306 K HN -0.164 7.904 8.250 -0.303 0.000 0.439 307 K N -1.864 118.479 120.400 -0.094 0.000 2.103 307 K HA -0.302 3.991 4.320 -0.046 0.000 0.207 307 K C 2.225 178.806 176.600 -0.032 0.000 1.048 307 K CA 2.610 58.862 56.287 -0.060 0.000 0.930 307 K CB -0.038 32.418 32.500 -0.073 0.000 0.716 307 K HN -0.358 7.813 8.250 -0.131 0.000 0.444 308 N N -3.761 114.914 118.700 -0.042 0.000 2.398 308 N HA -0.000 4.734 4.740 -0.010 0.000 0.188 308 N C -0.835 174.684 175.510 0.015 0.000 1.122 308 N CA 0.118 53.155 53.050 -0.022 0.000 0.866 308 N CB 0.177 38.635 38.487 -0.050 0.000 0.970 308 N HN -0.494 7.823 8.380 -0.065 0.023 0.462 309 K N -5.190 115.227 120.400 0.029 0.000 3.167 309 K HA -0.331 4.034 4.320 0.074 0.000 0.272 309 K C -0.571 176.099 176.600 0.116 0.000 1.137 309 K CA 1.314 57.661 56.287 0.100 0.000 0.800 309 K CB -3.313 29.292 32.500 0.175 0.000 1.253 309 K HN -0.398 7.673 8.250 0.005 0.182 0.497 310 Q N -4.387 115.387 119.800 -0.043 0.000 2.356 310 Q HA 0.089 4.412 4.340 -0.028 0.000 0.205 310 Q C -1.521 174.324 176.000 -0.259 0.000 0.901 310 Q CA 0.529 56.269 55.803 -0.106 0.000 0.938 310 Q CB 2.339 30.999 28.738 -0.131 0.000 1.081 310 Q HN -0.001 8.222 8.270 -0.041 0.022 0.517 311 W N -0.547 120.379 121.300 -0.623 0.000 2.411 311 W HA 0.415 5.034 4.660 -0.265 -0.118 0.317 311 W C -0.569 175.624 176.519 -0.544 0.000 1.030 311 W CA -0.578 56.517 57.345 -0.417 0.000 1.239 311 W CB 1.081 30.444 29.460 -0.162 0.000 1.304 311 W HN -0.194 7.835 8.180 -0.252 0.000 0.437 312 H N 9.135 128.088 119.070 -0.196 0.000 2.823 312 H HA 0.388 4.984 4.556 0.068 0.000 0.332 312 H C -2.144 173.187 175.328 0.004 0.000 0.980 312 H CA -0.507 55.519 56.048 -0.037 0.000 1.286 312 H CB 2.596 32.337 29.762 -0.035 0.000 1.541 312 H HN 0.050 nan 8.280 nan 0.000 0.521 313 V N 3.060 123.073 119.914 0.165 0.000 2.577 313 V HA 0.389 4.805 4.120 0.226 -0.161 0.303 313 V C -0.955 175.248 176.094 0.181 0.000 1.042 313 V CA -1.598 60.801 62.300 0.166 0.000 0.872 313 V CB 2.381 34.260 31.823 0.094 0.000 0.998 313 V HN 0.431 8.737 8.190 0.193 0.000 0.423 314 E N 9.577 129.885 120.200 0.181 0.000 2.460 314 E HA 0.295 4.737 4.350 0.152 0.000 0.249 314 E C -2.031 174.650 176.600 0.135 0.000 0.962 314 E CA -0.911 55.586 56.400 0.162 0.000 0.787 314 E CB 1.262 31.058 29.700 0.161 0.000 1.341 314 E HN 0.493 8.975 8.360 0.202 0.000 0.407 315 V N 1.329 121.290 119.914 0.077 0.000 2.960 315 V HA 0.977 5.066 4.120 -0.317 -0.160 0.315 315 V C -1.331 174.757 176.094 -0.010 0.000 1.087 315 V CA -3.053 59.180 62.300 -0.110 0.000 0.982 315 V CB 3.335 35.096 31.823 -0.103 0.000 1.039 315 V HN -0.198 8.049 8.190 0.096 0.000 0.437 316 Y N 0.000 120.316 120.300 0.027 0.000 2.660 316 Y HA 0.000 4.555 4.550 0.008 0.000 0.201 316 Y CA 0.000 58.105 58.100 0.009 0.000 1.940 316 Y CB 0.000 38.450 38.460 -0.017 0.000 1.050 316 Y HN 0.000 7.869 8.280 -0.685 0.000 0.758