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 3ho6_1_A DATA FIRST_RESID 5 DATA SEQUENCE GVDFNKNTAL DKNYLLNNKI PSNNXXXXGS KNYVHYIIQL QGDDISYEAT DATA SEQUENCE CNLFSKNPKN SIIIQRNMNE SAKSYFLSDD GESILELNKY RIPERLKNKE DATA SEQUENCE KVKVTFIGHG KDEFNTSEFA RLSVDSLSNE ISSFLDTIKL DISPKNVEVN DATA SEQUENCE LLGCNMFSYD FNVEETYPGK LLLSIMDKIT STLPDVNKNS ITIGANQYEV DATA SEQUENCE RINSEGRKEL LAHSGKWINK EEAIMSDLSS KEYIFFDSID NKLKAKSKNI DATA SEQUENCE PGLAS 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.938 3.960 -0.037 0.000 0.244 5 G C 0.000 174.851 174.900 -0.082 0.000 0.946 5 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 6 V N 2.943 122.777 119.914 -0.132 0.000 2.539 6 V HA -0.150 3.810 4.120 -0.266 0.000 0.300 6 V C -1.261 174.643 176.094 -0.316 0.000 1.019 6 V CA 0.053 62.175 62.300 -0.296 0.000 1.160 6 V CB 1.079 32.592 31.823 -0.516 0.000 0.901 6 V HN -0.396 7.729 8.190 -0.107 0.000 0.481 7 D N 7.852 128.083 120.400 -0.282 0.000 2.411 7 D HA 0.086 4.671 4.640 -0.092 0.000 0.225 7 D C -0.641 175.516 176.300 -0.237 0.000 1.156 7 D CA -1.048 52.848 54.000 -0.173 0.000 0.874 7 D CB 0.015 40.753 40.800 -0.103 0.000 1.034 7 D HN 0.126 8.341 8.370 -0.259 0.000 0.502 8 F N 3.677 123.601 119.950 -0.043 0.000 2.802 8 F HA -0.103 4.408 4.527 -0.028 0.000 0.300 8 F C 0.158 175.946 175.800 -0.019 0.000 1.168 8 F CA 1.045 59.024 58.000 -0.036 0.000 1.433 8 F CB 0.104 39.071 39.000 -0.055 0.000 1.115 8 F HN 0.050 8.423 8.300 0.122 0.000 0.582 9 N N -2.367 116.397 118.700 0.106 0.000 2.234 9 N HA 0.050 4.833 4.740 0.073 0.000 0.227 9 N C -0.101 175.414 175.510 0.008 0.000 1.151 9 N CA 0.156 53.241 53.050 0.059 0.000 0.865 9 N CB 0.011 38.527 38.487 0.048 0.000 1.066 9 N HN -0.338 8.296 8.380 0.074 -0.210 0.515 10 K N 1.528 121.915 120.400 -0.020 0.000 2.026 10 K HA -0.289 3.998 4.320 -0.054 0.000 0.208 10 K C 0.478 177.039 176.600 -0.065 0.000 1.048 10 K CA 2.303 58.556 56.287 -0.056 0.000 0.929 10 K CB 0.249 32.697 32.500 -0.086 0.000 0.713 10 K HN -0.722 7.462 8.250 -0.024 0.052 0.439 11 N N -3.287 115.381 118.700 -0.053 0.000 2.738 11 N HA -0.236 4.484 4.740 -0.034 0.000 0.249 11 N C -0.794 174.634 175.510 -0.137 0.000 1.047 11 N CA 1.037 54.053 53.050 -0.057 0.000 0.707 11 N CB -1.910 36.566 38.487 -0.018 0.000 0.937 11 N HN -0.075 8.286 8.380 -0.032 0.000 0.545 12 T N -0.230 114.169 114.554 -0.257 0.000 2.831 12 T HA -0.245 3.911 4.350 -0.323 0.000 0.291 12 T C -0.958 173.467 174.700 -0.458 0.000 0.981 12 T CA 1.971 63.808 62.100 -0.437 0.000 1.174 12 T CB 0.412 68.827 68.868 -0.756 0.000 0.929 12 T HN -0.140 7.949 8.240 -0.251 0.000 0.532 13 A N 7.555 130.208 122.820 -0.279 0.000 2.388 13 A HA -0.062 4.205 4.320 -0.088 0.000 0.257 13 A C -0.014 177.487 177.584 -0.139 0.000 1.095 13 A CA -0.619 51.330 52.037 -0.147 0.000 0.791 13 A CB 0.958 19.914 19.000 -0.072 0.000 1.029 13 A HN 0.121 8.130 8.150 -0.234 0.000 0.489 14 L N 3.660 124.865 121.223 -0.030 0.000 2.601 14 L HA -0.270 4.272 4.340 0.336 0.000 0.277 14 L C -0.281 176.544 176.870 -0.075 0.000 1.219 14 L CA 0.794 55.637 54.840 0.004 0.000 0.915 14 L CB 0.273 42.092 42.059 -0.400 0.000 1.160 14 L HN -0.175 8.298 8.230 -0.012 -0.250 0.494 15 D N 7.107 127.547 120.400 0.067 0.000 2.396 15 D HA 0.152 4.778 4.640 -0.023 0.000 0.225 15 D C 0.055 176.367 176.300 0.021 0.000 1.121 15 D CA -1.179 52.841 54.000 0.034 0.000 0.853 15 D CB 1.006 41.849 40.800 0.072 0.000 1.043 15 D HN -0.266 8.246 8.370 0.237 0.000 0.500 16 K N 4.715 125.072 120.400 -0.071 0.000 2.097 16 K HA -0.390 3.841 4.320 -0.150 0.000 0.206 16 K C 1.849 178.440 176.600 -0.015 0.000 1.049 16 K CA 3.299 59.531 56.287 -0.091 0.000 0.933 16 K CB -0.018 32.423 32.500 -0.098 0.000 0.717 16 K HN 0.383 8.581 8.250 -0.087 0.000 0.442 17 N N -1.123 117.590 118.700 0.023 0.000 2.270 17 N HA -0.233 4.522 4.740 0.025 0.000 0.181 17 N C 1.560 177.128 175.510 0.098 0.000 1.016 17 N CA 2.811 55.887 53.050 0.043 0.000 0.870 17 N CB 0.074 38.583 38.487 0.037 0.000 0.979 17 N HN -0.302 8.244 8.380 0.019 -0.155 0.431 18 Y N 1.812 122.098 120.300 -0.023 0.000 2.128 18 Y HA -0.394 4.152 4.550 -0.006 0.000 0.284 18 Y C 0.925 176.815 175.900 -0.016 0.000 1.154 18 Y CA 2.978 61.071 58.100 -0.013 0.000 1.149 18 Y CB -0.070 38.392 38.460 0.002 0.000 0.976 18 Y HN -0.553 8.105 8.280 0.227 -0.242 0.505 19 L N -2.109 119.062 121.223 -0.087 0.000 1.994 19 L HA -0.437 3.739 4.340 -0.275 0.000 0.208 19 L C 2.467 179.297 176.870 -0.066 0.000 1.071 19 L CA 3.064 57.815 54.840 -0.148 0.000 0.745 19 L CB -0.265 41.752 42.059 -0.070 0.000 0.892 19 L HN -0.760 7.475 8.230 0.008 0.000 0.431 20 L N -2.759 118.454 121.223 -0.017 0.000 2.056 20 L HA -0.294 4.053 4.340 0.012 0.000 0.207 20 L C 2.146 179.010 176.870 -0.010 0.000 1.078 20 L CA 3.122 57.962 54.840 0.000 0.000 0.749 20 L CB -0.044 42.020 42.059 0.009 0.000 0.901 20 L HN -0.167 8.057 8.230 -0.010 0.000 0.433 21 N N -4.125 114.572 118.700 -0.006 0.000 2.388 21 N HA -0.048 4.692 4.740 0.000 0.000 0.176 21 N C 0.603 176.108 175.510 -0.008 0.000 1.062 21 N CA 1.574 54.625 53.050 0.002 0.000 0.895 21 N CB 0.981 39.482 38.487 0.024 0.000 1.018 21 N HN -0.032 8.348 8.380 0.001 0.000 0.456 22 N N -0.610 118.065 118.700 -0.041 0.000 2.909 22 N HA 0.135 4.861 4.740 -0.025 0.000 0.243 22 N C 0.445 175.873 175.510 -0.138 0.000 1.018 22 N CA 1.939 54.953 53.050 -0.059 0.000 1.068 22 N CB 1.787 40.273 38.487 -0.002 0.000 1.651 22 N HN -0.384 7.955 8.380 -0.068 0.000 0.509 23 K N 1.463 121.696 120.400 -0.279 0.000 2.062 23 K HA -0.095 4.082 4.320 -0.238 0.000 0.205 23 K C 2.180 178.697 176.600 -0.139 0.000 1.051 23 K CA 1.811 57.933 56.287 -0.275 0.000 0.941 23 K CB -0.198 32.025 32.500 -0.461 0.000 0.719 23 K HN -0.338 7.690 8.250 -0.370 0.000 0.440 24 I N -0.023 120.489 120.570 -0.097 0.000 2.202 24 I HA -0.085 4.046 4.170 -0.064 0.000 0.242 24 I C -0.914 175.170 176.117 -0.055 0.000 1.091 24 I CA 5.542 66.806 61.300 -0.058 0.000 1.368 24 I CB -2.170 35.817 38.000 -0.023 0.000 1.058 24 I HN 0.166 8.316 8.210 -0.100 0.000 0.410 25 P HA -0.227 4.174 4.420 -0.031 0.000 0.216 25 P C 0.537 177.814 177.300 -0.039 0.000 1.150 25 P CA 2.560 65.638 63.100 -0.036 0.000 0.837 25 P CB -0.244 31.439 31.700 -0.028 0.000 0.786 26 S N -3.092 112.579 115.700 -0.048 0.000 2.395 26 S HA -0.193 4.257 4.470 -0.032 0.000 0.225 26 S C 1.448 176.022 174.600 -0.043 0.000 1.027 26 S CA 2.742 60.916 58.200 -0.043 0.000 0.965 26 S CB 0.327 63.499 63.200 -0.048 0.000 0.812 26 S HN -0.259 8.015 8.310 -0.060 0.000 0.482 27 N N -2.013 116.654 118.700 -0.055 0.000 2.294 27 N HA 0.157 4.872 4.740 -0.042 0.000 0.186 27 N C -0.384 175.095 175.510 -0.052 0.000 1.107 27 N CA -0.125 52.895 53.050 -0.051 0.000 0.884 27 N CB 1.031 39.483 38.487 -0.060 0.000 1.030 27 N HN -0.303 8.039 8.380 -0.063 0.000 0.482 34 S N 3.104 118.756 115.700 -0.081 0.000 2.507 34 S HA -0.129 4.272 4.470 -0.116 0.000 0.299 34 S C 0.374 174.888 174.600 -0.143 0.000 1.214 34 S CA -0.373 57.764 58.200 -0.104 0.000 1.137 34 S CB 0.228 63.382 63.200 -0.077 0.000 1.009 34 S HN -0.104 8.166 8.310 -0.066 0.000 0.512 35 K N 4.994 125.252 120.400 -0.236 0.000 2.355 35 K HA -0.050 4.082 4.320 -0.314 0.000 0.270 35 K C 0.467 176.883 176.600 -0.306 0.000 1.003 35 K CA 0.068 56.117 56.287 -0.397 0.000 0.957 35 K CB 0.834 32.840 32.500 -0.823 0.000 0.939 35 K HN 0.094 8.198 8.250 -0.243 0.000 0.482 36 N N 1.436 120.014 118.700 -0.203 0.000 2.346 36 N HA -0.073 4.628 4.740 -0.065 0.000 0.225 36 N C -1.881 173.658 175.510 0.048 0.000 1.144 36 N CA -0.614 52.404 53.050 -0.053 0.000 0.837 36 N CB -0.632 37.865 38.487 0.016 0.000 1.069 36 N HN 0.411 8.691 8.380 -0.166 0.000 0.487 37 Y N -7.297 112.996 120.300 -0.011 0.000 2.581 37 Y HA 0.605 5.307 4.550 0.010 -0.145 0.345 37 Y C -1.810 174.093 175.900 0.005 0.000 1.036 37 Y CA -3.046 55.056 58.100 0.002 0.000 1.042 37 Y CB 2.042 40.501 38.460 -0.002 0.000 1.289 37 Y HN -0.969 6.998 8.280 -0.386 0.081 0.471 38 V N 0.896 120.960 119.914 0.251 0.000 2.498 38 V HA 0.145 4.475 4.120 0.080 -0.161 0.279 38 V C -1.680 174.598 176.094 0.306 0.000 1.048 38 V CA -1.977 60.404 62.300 0.135 0.000 0.967 38 V CB 1.500 33.289 31.823 -0.057 0.000 0.988 38 V HN -0.113 8.222 8.190 0.241 0.000 0.473 39 H N 9.985 129.147 119.070 0.154 0.000 2.623 39 H HA 0.538 5.436 4.556 0.245 -0.195 0.299 39 H C -1.250 174.135 175.328 0.096 0.000 1.052 39 H CA -3.134 53.039 56.048 0.209 0.000 1.231 39 H CB 1.896 31.831 29.762 0.288 0.000 1.389 39 H HN 0.381 8.816 8.280 0.259 0.000 0.469 40 Y N 6.509 126.974 120.300 0.276 0.000 2.383 40 Y HA -0.001 4.648 4.550 0.164 0.000 0.344 40 Y C -1.079 174.789 175.900 -0.053 0.000 0.986 40 Y CA -0.564 57.619 58.100 0.138 0.000 1.175 40 Y CB 0.306 38.888 38.460 0.204 0.000 1.152 40 Y HN 0.499 9.182 8.280 0.672 0.000 0.511 41 I N 3.968 124.559 120.570 0.035 0.000 2.330 41 I HA 0.201 4.417 4.170 -0.130 -0.123 0.286 41 I C -1.256 174.884 176.117 0.038 0.000 1.025 41 I CA -0.548 60.709 61.300 -0.072 0.000 1.197 41 I CB 0.850 38.779 38.000 -0.119 0.000 1.358 41 I HN 0.728 8.997 8.210 0.099 0.000 0.467 42 I N 7.660 128.217 120.570 -0.022 0.000 2.330 42 I HA 0.372 4.798 4.170 0.139 -0.172 0.286 42 I C -1.471 174.729 176.117 0.139 0.000 1.025 42 I CA -1.363 59.968 61.300 0.052 0.000 1.197 42 I CB 0.995 38.914 38.000 -0.135 0.000 1.358 42 I HN 0.841 8.987 8.210 -0.106 0.000 0.467 43 Q N 7.899 127.799 119.800 0.167 0.000 2.344 43 Q HA 0.042 4.487 4.340 0.175 0.000 0.253 43 Q C -1.164 174.961 176.000 0.209 0.000 1.050 43 Q CA 0.183 56.096 55.803 0.182 0.000 0.912 43 Q CB 0.516 29.360 28.738 0.176 0.000 1.258 43 Q HN 0.169 8.538 8.270 0.165 0.000 0.443 44 L N 5.511 126.870 121.223 0.226 0.000 2.209 44 L HA -0.173 4.303 4.340 0.228 0.000 0.207 44 L C 0.278 177.245 176.870 0.161 0.000 1.094 44 L CA 1.386 56.352 54.840 0.211 0.000 0.790 44 L CB 0.499 42.684 42.059 0.209 0.000 0.932 44 L HN -0.404 7.962 8.230 0.226 0.000 0.447 45 Q N -4.412 115.497 119.800 0.181 0.000 2.351 45 Q HA 0.114 4.553 4.340 0.164 0.000 0.273 45 Q C 0.134 176.274 176.000 0.234 0.000 1.077 45 Q CA -1.017 54.913 55.803 0.212 0.000 0.843 45 Q CB 2.208 31.121 28.738 0.292 0.000 1.367 45 Q HN -0.639 7.748 8.270 0.196 0.000 0.449 46 G N 0.980 109.917 108.800 0.228 0.000 3.371 46 G HA2 0.188 4.227 3.960 0.132 0.000 0.248 46 G HA3 0.188 4.465 3.960 0.118 -0.245 0.248 46 G C -1.512 173.450 174.900 0.102 0.000 1.161 46 G CA -0.504 44.685 45.100 0.147 0.000 0.796 46 G HN 0.211 8.656 8.290 0.258 0.000 0.539 47 D N -1.722 118.752 120.400 0.124 0.000 2.329 47 D HA 0.107 4.850 4.640 -0.132 -0.182 0.246 47 D C 0.407 176.730 176.300 0.037 0.000 1.111 47 D CA -0.966 52.998 54.000 -0.058 0.000 0.941 47 D CB 1.363 41.973 40.800 -0.316 0.000 1.169 47 D HN -0.747 7.704 8.370 0.238 0.061 0.441 48 D N 0.566 120.960 120.400 -0.009 0.000 2.219 48 D HA -0.146 4.581 4.640 0.145 0.000 0.205 48 D C 2.347 178.723 176.300 0.127 0.000 0.970 48 D CA 3.349 57.397 54.000 0.081 0.000 0.851 48 D CB -0.188 40.626 40.800 0.023 0.000 0.943 48 D HN 0.485 8.809 8.370 -0.076 0.000 0.488 49 I N -0.798 119.818 120.570 0.077 0.000 2.163 49 I HA -0.511 3.696 4.170 0.061 0.000 0.243 49 I C 1.689 177.869 176.117 0.105 0.000 1.085 49 I CA 3.765 65.118 61.300 0.087 0.000 1.347 49 I CB -0.127 37.937 38.000 0.106 0.000 1.044 49 I HN -0.453 7.836 8.210 0.035 -0.058 0.408 50 S N -0.180 115.619 115.700 0.165 0.000 2.370 50 S HA -0.326 4.197 4.470 0.088 0.000 0.226 50 S C 1.922 176.615 174.600 0.154 0.000 1.033 50 S CA 3.239 61.529 58.200 0.149 0.000 1.011 50 S CB -0.617 62.714 63.200 0.218 0.000 0.852 50 S HN -0.532 8.172 8.310 0.214 -0.266 0.457 51 Y N 2.943 123.279 120.300 0.061 0.000 2.145 51 Y HA -0.390 4.338 4.550 0.055 -0.145 0.286 51 Y C 1.261 177.199 175.900 0.063 0.000 1.145 51 Y CA 2.922 61.053 58.100 0.052 0.000 1.148 51 Y CB -0.081 38.396 38.460 0.029 0.000 0.981 51 Y HN -0.464 7.996 8.280 0.299 0.000 0.507 52 E N -2.166 118.014 120.200 -0.034 0.000 2.110 52 E HA -0.466 3.748 4.350 -0.227 0.000 0.193 52 E C 2.354 178.899 176.600 -0.092 0.000 0.988 52 E CA 2.876 59.214 56.400 -0.104 0.000 0.804 52 E CB -0.611 29.105 29.700 0.027 0.000 0.745 52 E HN -0.094 8.343 8.360 0.129 0.000 0.458 53 A N -0.403 122.394 122.820 -0.039 0.000 1.902 53 A HA -0.296 4.008 4.320 -0.025 0.000 0.217 53 A C 1.965 179.534 177.584 -0.025 0.000 1.181 53 A CA 3.315 55.338 52.037 -0.024 0.000 0.623 53 A CB -0.800 18.199 19.000 -0.001 0.000 0.818 53 A HN -0.118 8.027 8.150 -0.009 0.000 0.443 54 T N 1.389 115.921 114.554 -0.037 0.000 2.674 54 T HA -0.337 4.018 4.350 0.009 0.000 0.265 54 T C 1.882 176.546 174.700 -0.061 0.000 1.039 54 T CA 5.339 67.422 62.100 -0.028 0.000 1.150 54 T CB -0.386 68.476 68.868 -0.010 0.000 0.864 54 T HN -0.366 7.855 8.240 -0.033 0.000 0.427 55 C N 0.467 119.650 119.300 -0.195 0.000 2.413 55 C HA -0.429 3.929 4.460 -0.171 0.000 0.276 55 C C 1.783 176.729 174.990 -0.073 0.000 1.236 55 C CA 4.955 63.856 59.018 -0.195 0.000 1.735 55 C CB -1.285 26.254 27.740 -0.335 0.000 2.031 55 C HN -0.316 7.734 8.230 -0.301 0.000 0.474 56 N N -0.028 118.624 118.700 -0.080 0.000 2.142 56 N HA -0.228 4.466 4.740 -0.077 0.000 0.186 56 N C 2.661 178.169 175.510 -0.003 0.000 1.023 56 N CA 2.821 55.840 53.050 -0.052 0.000 0.852 56 N CB 0.101 38.560 38.487 -0.048 0.000 0.998 56 N HN -0.134 8.189 8.380 -0.095 0.000 0.424 57 L N 0.726 121.963 121.223 0.023 0.000 2.046 57 L HA -0.308 4.058 4.340 0.044 0.000 0.208 57 L C 0.829 177.737 176.870 0.063 0.000 1.077 57 L CA 2.685 57.555 54.840 0.050 0.000 0.747 57 L CB -0.146 41.949 42.059 0.060 0.000 0.896 57 L HN -0.204 8.035 8.230 0.015 0.000 0.432 58 F N -0.788 119.125 119.950 -0.062 0.000 2.126 58 F HA -0.424 4.077 4.527 -0.043 0.000 0.299 58 F C 1.578 177.351 175.800 -0.045 0.000 1.096 58 F CA 3.271 61.240 58.000 -0.053 0.000 1.255 58 F CB 0.087 39.051 39.000 -0.059 0.000 0.997 58 F HN -0.338 8.089 8.300 0.211 0.000 0.479 59 S N -1.187 114.546 115.700 0.055 0.000 2.481 59 S HA -0.246 4.180 4.470 -0.075 0.000 0.231 59 S C 1.735 176.259 174.600 -0.126 0.000 0.996 59 S CA 2.760 60.932 58.200 -0.046 0.000 0.942 59 S CB -0.816 62.377 63.200 -0.011 0.000 0.768 59 S HN -0.272 8.117 8.310 0.131 0.000 0.520 60 K N 0.775 121.115 120.400 -0.100 0.000 2.155 60 K HA -0.202 4.265 4.320 -0.074 -0.192 0.203 60 K C -0.283 176.248 176.600 -0.116 0.000 1.052 60 K CA 2.138 58.376 56.287 -0.082 0.000 0.948 60 K CB 0.501 32.981 32.500 -0.034 0.000 0.728 60 K HN -0.742 7.434 8.250 -0.071 0.031 0.448 61 N N -3.234 115.358 118.700 -0.180 0.000 2.711 61 N HA 0.432 5.071 4.740 -0.168 0.000 0.263 61 N C -1.973 173.318 175.510 -0.364 0.000 1.667 61 N CA -2.771 50.162 53.050 -0.195 0.000 0.785 61 N CB -0.173 38.253 38.487 -0.101 0.000 1.231 61 N HN -0.720 7.530 8.380 -0.216 0.000 0.503 62 P HA 0.070 3.650 4.420 -1.585 -0.111 0.225 62 P C 1.221 178.266 177.300 -0.425 0.000 1.156 62 P CA 1.283 63.881 63.100 -0.836 0.000 0.787 62 P CB 0.730 32.097 31.700 -0.555 0.000 0.802 63 K N -1.836 118.434 120.400 -0.217 0.000 2.148 63 K HA -0.153 4.139 4.320 -0.047 0.000 0.204 63 K C 0.808 177.363 176.600 -0.074 0.000 1.050 63 K CA 2.412 58.641 56.287 -0.096 0.000 0.942 63 K CB -0.243 32.210 32.500 -0.078 0.000 0.724 63 K HN 0.184 8.282 8.250 -0.208 0.026 0.446 64 N N -2.942 115.693 118.700 -0.108 0.000 2.204 64 N HA 0.170 nan 4.740 nan 0.000 0.219 64 N C -1.680 173.820 175.510 -0.016 0.000 1.151 64 N CA -0.200 52.809 53.050 -0.070 0.000 0.867 64 N CB 1.103 39.526 38.487 -0.107 0.000 1.043 64 N HN -0.458 7.835 8.380 -0.146 0.000 0.516 65 S N 0.201 115.887 115.700 -0.023 0.000 2.621 65 S HA 0.791 5.505 4.470 0.099 -0.185 0.302 65 S C -1.663 173.117 174.600 0.301 0.000 1.093 65 S CA -0.974 57.276 58.200 0.083 0.000 1.017 65 S CB 2.692 65.882 63.200 -0.018 0.000 1.077 65 S HN -0.935 7.319 8.310 -0.094 0.000 0.517 66 I N -0.192 120.541 120.570 0.272 0.000 2.533 66 I HA 0.437 5.030 4.170 0.427 -0.167 0.290 66 I C -1.541 174.737 176.117 0.269 0.000 1.056 66 I CA -1.950 59.531 61.300 0.301 0.000 1.057 66 I CB 2.915 40.984 38.000 0.114 0.000 1.240 66 I HN 0.299 8.613 8.210 0.174 0.000 0.423 67 I N 6.246 126.931 120.570 0.192 0.000 2.353 67 I HA 0.384 4.799 4.170 0.135 -0.164 0.293 67 I C -1.036 175.216 176.117 0.225 0.000 0.992 67 I CA -0.626 60.754 61.300 0.134 0.000 1.268 67 I CB 1.892 39.861 38.000 -0.051 0.000 1.387 67 I HN 0.367 8.671 8.210 0.156 0.000 0.478 68 I N 6.720 127.421 120.570 0.218 0.000 2.439 68 I HA 0.443 4.898 4.170 0.162 -0.188 0.285 68 I C -1.429 174.797 176.117 0.182 0.000 1.021 68 I CA -1.356 60.060 61.300 0.194 0.000 1.091 68 I CB 2.697 40.834 38.000 0.228 0.000 1.242 68 I HN 0.511 8.843 8.210 0.203 0.000 0.439 69 Q N 7.855 127.764 119.800 0.181 0.000 2.553 69 Q HA 0.290 4.738 4.340 0.179 0.000 0.221 69 Q C 0.163 176.240 176.000 0.128 0.000 1.219 69 Q CA -0.315 55.592 55.803 0.173 0.000 0.955 69 Q CB -0.659 28.195 28.738 0.194 0.000 1.399 69 Q HN 0.759 9.148 8.270 0.197 0.000 0.551 70 R N 6.412 127.000 120.500 0.146 0.000 2.189 70 R HA -0.301 4.086 4.340 0.079 0.000 0.223 70 R C 1.157 177.526 176.300 0.114 0.000 1.092 70 R CA 2.368 58.547 56.100 0.131 0.000 0.989 70 R CB -0.391 30.042 30.300 0.222 0.000 0.876 70 R HN -0.014 8.362 8.270 0.175 0.000 0.457 71 N N -1.515 117.258 118.700 0.122 0.000 2.519 71 N HA -0.208 4.589 4.740 0.096 0.000 0.186 71 N C 0.570 176.124 175.510 0.073 0.000 1.062 71 N CA 2.108 55.218 53.050 0.100 0.000 0.910 71 N CB -0.864 37.691 38.487 0.114 0.000 0.958 71 N HN -0.499 7.942 8.380 0.139 0.023 0.445 72 M N -1.845 117.796 119.600 0.068 0.000 2.561 72 M HA 0.058 4.562 4.480 0.042 0.000 0.238 72 M C -0.468 175.851 176.300 0.031 0.000 1.131 72 M CA -1.150 54.178 55.300 0.047 0.000 1.046 72 M CB -0.828 31.805 32.600 0.054 0.000 1.532 72 M HN -0.484 7.696 8.290 0.078 0.157 0.497 73 N N -1.007 117.714 118.700 0.034 0.000 1.424 73 N HA -0.524 4.235 4.740 0.032 0.000 0.147 73 N C 1.359 176.873 175.510 0.006 0.000 0.709 73 N CA 2.924 55.989 53.050 0.025 0.000 1.052 73 N CB -2.091 36.412 38.487 0.027 0.000 1.281 73 N HN -0.059 8.201 8.380 0.045 0.147 0.478 74 E N 1.652 121.856 120.200 0.006 0.000 2.265 74 E HA -0.198 4.149 4.350 -0.005 0.000 0.196 74 E C 0.617 177.209 176.600 -0.012 0.000 0.996 74 E CA 2.386 58.785 56.400 -0.003 0.000 0.832 74 E CB -0.658 29.043 29.700 0.002 0.000 0.756 74 E HN 0.381 8.748 8.360 0.010 0.000 0.491 75 S N -0.925 114.771 115.700 -0.006 0.000 2.605 75 S HA -0.072 4.389 4.470 -0.016 0.000 0.217 75 S C 0.084 174.671 174.600 -0.021 0.000 0.958 75 S CA -0.608 57.587 58.200 -0.009 0.000 0.919 75 S CB 0.333 63.538 63.200 0.008 0.000 0.780 75 S HN -0.557 7.723 8.310 0.002 0.031 0.507 76 A N 2.712 125.512 122.820 -0.033 0.000 2.498 76 A HA -0.118 4.189 4.320 -0.021 0.000 0.239 76 A C -1.415 176.091 177.584 -0.130 0.000 1.068 76 A CA 1.238 53.239 52.037 -0.060 0.000 0.766 76 A CB 0.801 19.753 19.000 -0.080 0.000 1.003 76 A HN -0.524 7.447 8.150 -0.029 0.163 0.497 77 K N -1.528 118.760 120.400 -0.187 0.000 2.522 77 K HA 0.080 4.362 4.320 -0.203 -0.084 0.275 77 K C -1.572 174.854 176.600 -0.291 0.000 1.006 77 K CA -1.634 54.489 56.287 -0.272 0.000 0.890 77 K CB 3.018 35.292 32.500 -0.376 0.000 1.475 77 K HN -0.407 7.747 8.250 -0.161 0.000 0.441 78 S N 0.419 116.022 115.700 -0.161 0.000 2.499 78 S HA 0.415 5.092 4.470 0.093 -0.151 0.275 78 S C -0.602 173.946 174.600 -0.086 0.000 1.257 78 S CA -0.051 58.169 58.200 0.034 0.000 1.050 78 S CB 0.360 63.704 63.200 0.241 0.000 0.937 78 S HN -0.087 8.160 8.310 -0.106 0.000 0.490 79 Y N 4.866 125.237 120.300 0.119 0.000 2.377 79 Y HA 0.765 5.376 4.550 -0.244 -0.207 0.339 79 Y C -0.543 175.387 175.900 0.050 0.000 1.011 79 Y CA -1.740 56.305 58.100 -0.092 0.000 1.093 79 Y CB 2.585 40.920 38.460 -0.208 0.000 1.201 79 Y HN 0.220 8.624 8.280 0.206 0.000 0.455 80 F N -3.320 116.730 119.950 0.167 0.000 2.741 80 F HA 0.416 5.174 4.527 0.385 0.000 0.313 80 F C -2.762 173.188 175.800 0.250 0.000 1.153 80 F CA -1.795 56.354 58.000 0.248 0.000 0.931 80 F CB 2.284 41.392 39.000 0.181 0.000 1.335 80 F HN 0.103 8.079 8.300 -0.540 0.000 0.460 81 L N 1.052 122.585 121.223 0.518 0.000 2.349 81 L HA 0.320 4.924 4.340 0.218 -0.133 0.275 81 L C 0.423 177.465 176.870 0.287 0.000 1.115 81 L CA -0.667 54.356 54.840 0.305 0.000 0.820 81 L CB 1.684 43.885 42.059 0.237 0.000 1.135 81 L HN 0.365 8.963 8.230 0.612 0.000 0.445 82 S N 5.531 121.325 115.700 0.157 0.000 2.576 82 S HA -0.106 4.489 4.470 0.209 0.000 0.272 82 S C 1.349 176.027 174.600 0.129 0.000 1.352 82 S CA -0.116 58.174 58.200 0.150 0.000 1.021 82 S CB 0.656 63.902 63.200 0.078 0.000 0.887 82 S HN 0.306 8.678 8.310 0.102 0.000 0.542 83 D N 1.131 121.599 120.400 0.113 0.000 2.158 83 D HA -0.240 4.441 4.640 0.069 0.000 0.197 83 D C 0.427 176.756 176.300 0.048 0.000 0.995 83 D CA 3.009 57.052 54.000 0.071 0.000 0.846 83 D CB -0.454 40.380 40.800 0.056 0.000 0.941 83 D HN 0.457 8.901 8.370 0.123 0.000 0.456 84 D N -5.356 115.072 120.400 0.046 0.000 2.328 84 D HA -0.053 4.602 4.640 0.024 0.000 0.221 84 D C 0.260 176.576 176.300 0.028 0.000 1.072 84 D CA -0.636 53.382 54.000 0.031 0.000 0.850 84 D CB -0.782 40.033 40.800 0.025 0.000 0.922 84 D HN -0.131 8.256 8.370 0.053 0.015 0.516 85 G N 0.340 109.164 108.800 0.039 0.000 2.184 85 G HA2 -0.437 3.550 3.960 0.045 0.000 0.264 85 G HA3 -0.437 3.536 3.960 0.023 0.000 0.264 85 G C 0.201 175.120 174.900 0.031 0.000 0.975 85 G CA 1.044 46.165 45.100 0.034 0.000 0.642 85 G HN -0.241 7.916 8.290 0.052 0.164 0.536 86 E N -1.447 118.769 120.200 0.028 0.000 2.472 86 E HA 0.190 4.551 4.350 0.017 0.000 0.196 86 E C -0.567 176.044 176.600 0.018 0.000 1.033 86 E CA 0.119 56.531 56.400 0.020 0.000 0.886 86 E CB 0.829 30.539 29.700 0.016 0.000 0.944 86 E HN -0.294 8.311 8.360 0.030 -0.227 0.492 87 S N -1.186 114.527 115.700 0.022 0.000 2.564 87 S HA 0.195 4.666 4.470 0.002 0.000 0.274 87 S C -1.989 172.609 174.600 -0.003 0.000 1.124 87 S CA -1.345 56.858 58.200 0.005 0.000 0.869 87 S CB 3.326 66.524 63.200 -0.002 0.000 1.105 87 S HN -0.377 7.952 8.310 0.031 0.000 0.472 88 I N 3.861 124.411 120.570 -0.033 0.000 2.304 88 I HA 0.383 4.681 4.170 -0.070 -0.170 0.291 88 I C -0.536 175.490 176.117 -0.153 0.000 1.018 88 I CA -1.567 59.684 61.300 -0.082 0.000 1.260 88 I CB -0.952 36.991 38.000 -0.096 0.000 1.390 88 I HN 0.471 8.661 8.210 -0.032 0.000 0.475 89 L N 7.283 128.286 121.223 -0.367 0.000 2.440 89 L HA 0.336 4.518 4.340 -0.262 0.000 0.262 89 L C -0.734 175.684 176.870 -0.752 0.000 1.072 89 L CA -1.334 53.203 54.840 -0.505 0.000 0.798 89 L CB 1.311 43.081 42.059 -0.482 0.000 1.307 89 L HN 0.340 8.295 8.230 -0.459 0.000 0.475 90 E N -1.854 118.061 120.200 -0.474 0.000 2.331 90 E HA 0.917 5.286 4.350 -0.364 -0.238 0.275 90 E C -1.100 175.517 176.600 0.029 0.000 0.895 90 E CA -1.427 54.809 56.400 -0.273 0.000 0.753 90 E CB 3.157 32.741 29.700 -0.193 0.000 1.216 90 E HN 0.022 8.201 8.360 -0.301 0.000 0.434 91 L N 0.617 121.931 121.223 0.152 0.000 2.322 91 L HA 0.437 4.847 4.340 0.115 0.000 0.252 91 L C -0.890 175.999 176.870 0.032 0.000 1.055 91 L CA -1.842 53.092 54.840 0.157 0.000 0.849 91 L CB 4.321 46.531 42.059 0.251 0.000 1.446 91 L HN 0.284 8.581 8.230 0.112 0.000 0.416 92 N N -0.058 118.656 118.700 0.024 0.000 2.381 92 N HA -0.117 4.597 4.740 -0.045 0.000 0.241 92 N C 0.190 175.687 175.510 -0.022 0.000 1.279 92 N CA 0.277 53.318 53.050 -0.015 0.000 0.896 92 N CB 0.358 38.843 38.487 -0.003 0.000 1.118 92 N HN 0.132 8.535 8.380 0.039 0.000 0.438 93 K N 2.203 122.546 120.400 -0.094 0.000 2.477 93 K HA -0.439 3.745 4.320 -0.226 0.000 0.275 93 K C -0.301 176.248 176.600 -0.084 0.000 1.054 93 K CA 2.327 58.483 56.287 -0.217 0.000 1.135 93 K CB -0.357 31.926 32.500 -0.361 0.000 0.854 93 K HN 0.505 8.692 8.250 -0.104 0.000 0.484 94 Y N -1.516 118.874 120.300 0.149 0.000 4.929 94 Y HA -0.389 4.364 4.550 0.338 0.000 0.253 94 Y C -0.943 175.051 175.900 0.157 0.000 0.946 94 Y CA 1.555 59.770 58.100 0.192 0.000 1.905 94 Y CB -2.575 35.924 38.460 0.066 0.000 1.400 94 Y HN -0.089 8.251 8.280 0.100 0.000 0.531 95 R N -2.709 117.924 120.500 0.223 0.000 2.560 95 R HA 0.419 4.990 4.340 0.116 -0.161 0.270 95 R C 0.129 176.465 176.300 0.061 0.000 1.074 95 R CA -1.394 54.780 56.100 0.123 0.000 1.140 95 R CB 1.480 31.819 30.300 0.064 0.000 1.073 95 R HN -0.565 7.745 8.270 0.174 0.064 0.527 96 I N -3.779 116.754 120.570 -0.061 0.000 2.934 96 I HA 0.584 4.485 4.170 -0.448 0.000 0.306 96 I C -2.633 173.256 176.117 -0.380 0.000 1.110 96 I CA -3.912 57.214 61.300 -0.289 0.000 1.019 96 I CB 1.962 39.834 38.000 -0.214 0.000 1.227 96 I HN -0.029 8.397 8.210 -0.037 -0.238 0.434 97 P HA 0.045 4.277 4.420 -0.313 0.000 0.272 97 P C 0.501 177.686 177.300 -0.192 0.000 1.240 97 P CA -0.649 62.202 63.100 -0.415 0.000 0.791 97 P CB 0.691 32.105 31.700 -0.477 0.000 0.978 98 E N 1.443 121.585 120.200 -0.097 0.000 2.130 98 E HA -0.365 3.954 4.350 -0.052 0.000 0.196 98 E C 2.270 178.839 176.600 -0.052 0.000 0.998 98 E CA 3.628 59.995 56.400 -0.054 0.000 0.806 98 E CB -0.609 29.078 29.700 -0.022 0.000 0.738 98 E HN 0.567 8.883 8.360 -0.072 0.000 0.459 99 R N -3.326 117.142 120.500 -0.053 0.000 2.237 99 R HA -0.124 4.199 4.340 -0.028 0.000 0.219 99 R C 1.401 177.672 176.300 -0.049 0.000 1.080 99 R CA 2.025 58.102 56.100 -0.039 0.000 0.995 99 R CB -0.743 29.544 30.300 -0.022 0.000 0.875 99 R HN 0.182 8.401 8.270 -0.056 0.017 0.462 100 L N -2.539 118.639 121.223 -0.076 0.000 2.640 100 L HA 0.243 4.550 4.340 -0.056 0.000 0.230 100 L C 0.698 177.540 176.870 -0.047 0.000 1.123 100 L CA -0.208 54.589 54.840 -0.072 0.000 0.900 100 L CB 0.187 42.175 42.059 -0.118 0.000 1.146 100 L HN -0.554 7.570 8.230 -0.099 0.046 0.484 101 K N -0.528 119.848 120.400 -0.039 0.000 2.459 101 K HA -0.159 4.153 4.320 -0.014 0.000 0.193 101 K C 0.063 176.659 176.600 -0.006 0.000 1.030 101 K CA 2.755 59.030 56.287 -0.020 0.000 1.026 101 K CB 0.010 32.496 32.500 -0.023 0.000 0.809 101 K HN -0.645 7.579 8.250 -0.043 0.000 0.504 102 N N -2.944 115.751 118.700 -0.008 0.000 2.230 102 N HA 0.037 4.778 4.740 0.001 0.000 0.202 102 N C -0.048 175.465 175.510 0.005 0.000 1.119 102 N CA -0.698 52.350 53.050 -0.002 0.000 0.851 102 N CB 0.228 38.712 38.487 -0.006 0.000 0.990 102 N HN -0.157 8.168 8.380 -0.014 0.047 0.497 103 K N -0.196 120.211 120.400 0.010 0.000 2.380 103 K HA -0.053 4.277 4.320 0.017 0.000 0.267 103 K C 0.068 176.693 176.600 0.040 0.000 0.990 103 K CA -0.185 56.118 56.287 0.026 0.000 0.946 103 K CB 0.310 32.837 32.500 0.044 0.000 0.937 103 K HN -0.992 7.261 8.250 0.006 0.000 0.491 104 E N -1.125 119.102 120.200 0.045 0.000 2.498 104 E HA 0.142 4.513 4.350 0.035 0.000 0.203 104 E C -0.829 175.805 176.600 0.057 0.000 1.013 104 E CA -0.098 56.326 56.400 0.041 0.000 0.927 104 E CB 1.471 31.187 29.700 0.026 0.000 1.012 104 E HN 0.338 8.726 8.360 0.046 0.000 0.482 105 K N -0.306 120.150 120.400 0.093 0.000 2.469 105 K HA 0.652 5.193 4.320 0.071 -0.179 0.254 105 K C -2.581 174.111 176.600 0.154 0.000 0.939 105 K CA -1.384 54.966 56.287 0.106 0.000 0.812 105 K CB 4.134 36.706 32.500 0.121 0.000 1.301 105 K HN -0.856 7.458 8.250 0.108 0.000 0.433 106 V N 4.427 124.415 119.914 0.124 0.000 2.417 106 V HA 0.379 4.810 4.120 0.274 -0.147 0.291 106 V C -2.118 174.008 176.094 0.054 0.000 1.024 106 V CA -1.337 61.079 62.300 0.194 0.000 0.861 106 V CB 2.784 34.754 31.823 0.244 0.000 0.985 106 V HN 0.263 8.503 8.190 0.083 0.000 0.436 107 K N 8.261 128.664 120.400 0.004 0.000 2.265 107 K HA 0.544 4.911 4.320 -0.187 -0.159 0.267 107 K C -2.315 174.372 176.600 0.146 0.000 0.994 107 K CA -1.598 54.586 56.287 -0.172 0.000 0.860 107 K CB 2.773 34.809 32.500 -0.774 0.000 1.099 107 K HN 0.401 8.716 8.250 0.108 0.000 0.448 108 V N 8.275 128.211 119.914 0.037 0.000 2.350 108 V HA 0.615 4.964 4.120 0.090 -0.175 0.285 108 V C -2.293 173.711 176.094 -0.149 0.000 1.014 108 V CA -2.642 59.606 62.300 -0.088 0.000 0.831 108 V CB 2.708 34.218 31.823 -0.521 0.000 1.000 108 V HN 0.786 8.958 8.190 -0.030 0.000 0.433 109 T N 11.797 126.320 114.554 -0.052 0.000 2.749 109 T HA 0.510 5.096 4.350 0.057 -0.202 0.287 109 T C -1.153 173.451 174.700 -0.161 0.000 0.970 109 T CA -0.313 61.797 62.100 0.017 0.000 0.980 109 T CB 0.850 69.860 68.868 0.238 0.000 0.924 109 T HN 0.488 8.747 8.240 0.030 0.000 0.456 110 F N 7.864 127.868 119.950 0.089 0.000 2.371 110 F HA 0.303 5.068 4.527 0.149 -0.148 0.363 110 F C -0.502 175.470 175.800 0.287 0.000 1.122 110 F CA -0.741 57.364 58.000 0.174 0.000 1.129 110 F CB 0.747 39.868 39.000 0.201 0.000 1.173 110 F HN 0.531 8.985 8.300 0.256 0.000 0.489 111 I N 4.459 125.236 120.570 0.346 0.000 2.337 111 I HA 0.116 4.446 4.170 0.267 0.000 0.291 111 I C -0.787 175.445 176.117 0.192 0.000 1.046 111 I CA 0.126 61.578 61.300 0.253 0.000 1.324 111 I CB 0.095 38.184 38.000 0.147 0.000 1.409 111 I HN 0.176 8.549 8.210 0.272 0.000 0.494 112 G N 5.800 114.635 108.800 0.058 0.000 2.694 112 G HA2 0.596 4.555 3.960 -0.169 0.000 0.290 112 G HA3 0.596 4.034 3.960 -0.870 0.000 0.290 112 G C -2.283 172.393 174.900 -0.373 0.000 1.386 112 G CA -0.512 44.383 45.100 -0.343 0.000 0.872 112 G HN 0.028 8.411 8.290 0.155 0.000 0.475 113 H N -1.007 117.890 119.070 -0.289 0.000 2.502 113 H HA 0.214 4.736 4.556 -0.057 0.000 0.327 113 H C 0.269 175.423 175.328 -0.291 0.000 1.099 113 H CA 0.679 56.629 56.048 -0.163 0.000 1.323 113 H CB 2.375 32.119 29.762 -0.029 0.000 1.450 113 H HN 0.110 8.684 8.280 -0.050 -0.324 0.502 114 G N 0.863 109.650 108.800 -0.022 0.000 2.509 114 G HA2 0.215 4.118 3.960 -0.095 0.000 0.269 114 G HA3 0.215 4.452 3.960 0.045 -0.250 0.269 114 G C -1.124 173.782 174.900 0.011 0.000 1.416 114 G CA -0.780 44.310 45.100 -0.017 0.000 1.052 114 G HN 0.288 8.603 8.290 0.040 0.000 0.542 115 K N -1.416 118.985 120.400 0.001 0.000 2.245 115 K HA 0.157 4.486 4.320 0.015 0.000 0.234 115 K C 0.291 176.925 176.600 0.056 0.000 1.021 115 K CA -0.877 55.416 56.287 0.010 0.000 0.898 115 K CB 0.628 33.108 32.500 -0.034 0.000 1.163 115 K HN 0.227 8.470 8.250 -0.011 0.000 0.459 116 D N 1.072 121.506 120.400 0.057 0.000 2.263 116 D HA -0.061 4.636 4.640 0.096 0.000 0.208 116 D C -0.398 175.951 176.300 0.082 0.000 0.971 116 D CA 1.618 55.664 54.000 0.077 0.000 0.867 116 D CB 0.509 41.349 40.800 0.066 0.000 0.929 116 D HN -0.043 nan 8.370 nan 0.000 0.492 117 E N -2.384 117.856 120.200 0.067 0.000 2.392 117 E HA -0.041 4.380 4.350 0.118 0.000 0.269 117 E C -1.532 175.123 176.600 0.091 0.000 0.924 117 E CA -1.508 54.949 56.400 0.095 0.000 0.784 117 E CB 1.574 31.327 29.700 0.089 0.000 1.292 117 E HN -0.373 7.985 8.360 0.044 0.029 0.447 118 F N 2.208 122.154 119.950 -0.007 0.000 2.635 118 F HA -0.070 4.663 4.527 -0.055 -0.238 0.379 118 F C -0.375 175.377 175.800 -0.080 0.000 1.094 118 F CA 1.449 59.417 58.000 -0.054 0.000 1.300 118 F CB 0.646 39.604 39.000 -0.069 0.000 1.035 118 F HN 0.102 8.575 8.300 0.289 0.000 0.581 119 N N 3.619 121.707 118.700 -1.019 0.000 2.591 119 N HA 0.227 4.489 4.740 -0.796 0.000 0.263 119 N C -1.986 172.928 175.510 -0.992 0.000 1.308 119 N CA -0.182 52.364 53.050 -0.840 0.000 0.837 119 N CB 3.002 41.270 38.487 -0.365 0.000 1.548 119 N HN -0.330 7.418 8.380 -1.053 0.000 0.493 120 T N -6.528 107.659 114.554 -0.613 0.000 3.040 120 T HA 0.324 4.457 4.350 -0.363 0.000 0.266 120 T C 0.465 175.146 174.700 -0.030 0.000 1.005 120 T CA 0.246 62.131 62.100 -0.357 0.000 0.906 120 T CB 0.867 69.541 68.868 -0.322 0.000 1.082 120 T HN 0.139 8.102 8.240 -0.462 0.000 0.531 121 S N 2.229 117.906 115.700 -0.038 0.000 2.502 121 S HA 0.133 4.658 4.470 0.093 0.000 0.228 121 S C -0.823 173.890 174.600 0.188 0.000 1.061 121 S CA 2.506 60.747 58.200 0.069 0.000 0.935 121 S CB 1.299 64.490 63.200 -0.015 0.000 0.809 121 S HN -0.253 8.248 8.310 -0.139 -0.275 0.510 122 E N -0.646 119.550 120.200 -0.008 0.000 2.340 122 E HA 0.495 5.113 4.350 0.114 -0.199 0.273 122 E C -1.794 174.563 176.600 -0.405 0.000 0.891 122 E CA -1.502 54.848 56.400 -0.083 0.000 0.757 122 E CB 4.222 33.873 29.700 -0.081 0.000 1.231 122 E HN -0.610 7.963 8.360 -0.116 -0.283 0.439 123 F N 3.123 122.711 119.950 -0.603 0.000 2.507 123 F HA 0.216 4.466 4.527 -0.462 0.000 0.328 123 F C -0.736 174.936 175.800 -0.215 0.000 1.136 123 F CA -1.352 56.339 58.000 -0.515 0.000 0.930 123 F CB 3.832 42.421 39.000 -0.684 0.000 1.166 123 F HN 0.083 8.282 8.300 -0.169 0.000 0.436 124 A N 8.915 131.286 122.820 -0.748 0.000 2.832 124 A HA -0.385 3.743 4.320 -0.430 -0.066 0.280 124 A C -1.118 176.309 177.584 -0.263 0.000 1.464 124 A CA 1.261 53.005 52.037 -0.489 0.000 0.804 124 A CB -1.674 17.052 19.000 -0.456 0.000 1.020 124 A HN 0.637 8.296 8.150 -0.819 0.000 0.563 125 R N -8.851 111.511 120.500 -0.229 0.000 3.951 125 R HA -0.445 3.975 4.340 -0.146 -0.167 0.352 125 R C -1.020 175.233 176.300 -0.079 0.000 1.178 125 R CA 1.045 57.052 56.100 -0.156 0.000 0.949 125 R CB -2.008 28.180 30.300 -0.187 0.000 1.452 125 R HN 0.206 8.308 8.270 -0.252 0.016 0.540 126 L N 0.206 121.406 121.223 -0.038 0.000 2.296 126 L HA 0.287 4.640 4.340 0.020 0.000 0.286 126 L C -0.167 176.790 176.870 0.146 0.000 1.023 126 L CA -1.530 53.336 54.840 0.042 0.000 0.812 126 L CB 1.463 43.558 42.059 0.060 0.000 1.223 126 L HN -0.444 7.574 8.230 -0.061 0.175 0.421 127 S N 3.008 118.774 115.700 0.110 0.000 2.587 127 S HA 0.049 4.862 4.470 0.208 -0.219 0.260 127 S C 1.557 176.226 174.600 0.114 0.000 1.353 127 S CA -0.643 57.640 58.200 0.138 0.000 0.995 127 S CB 0.795 64.019 63.200 0.040 0.000 0.912 127 S HN 0.292 8.638 8.310 0.060 0.000 0.568 128 V N 1.912 121.788 119.914 -0.063 0.000 2.332 128 V HA -0.467 3.353 4.120 -0.500 0.000 0.248 128 V C 1.307 177.304 176.094 -0.161 0.000 1.055 128 V CA 4.845 66.950 62.300 -0.325 0.000 1.038 128 V CB -0.356 31.207 31.823 -0.433 0.000 0.651 128 V HN 0.499 8.655 8.190 -0.056 0.000 0.450 129 D N -2.316 118.028 120.400 -0.094 0.000 2.097 129 D HA -0.378 4.217 4.640 -0.076 0.000 0.195 129 D C 1.854 178.129 176.300 -0.042 0.000 0.989 129 D CA 3.526 57.488 54.000 -0.064 0.000 0.827 129 D CB -0.244 40.530 40.800 -0.042 0.000 0.966 129 D HN -0.108 8.215 8.370 -0.079 0.000 0.456 130 S N -0.272 115.417 115.700 -0.019 0.000 2.356 130 S HA -0.299 4.169 4.470 -0.003 0.000 0.223 130 S C 2.105 176.694 174.600 -0.017 0.000 1.032 130 S CA 3.187 61.384 58.200 -0.004 0.000 1.005 130 S CB 0.074 63.282 63.200 0.013 0.000 0.867 130 S HN -0.585 7.719 8.310 -0.010 0.000 0.449 131 L N 0.850 122.055 121.223 -0.030 0.000 2.093 131 L HA -0.202 4.067 4.340 -0.117 0.000 0.208 131 L C 1.527 178.319 176.870 -0.129 0.000 1.085 131 L CA 2.486 57.264 54.840 -0.104 0.000 0.755 131 L CB -0.284 41.718 42.059 -0.095 0.000 0.904 131 L HN -0.440 7.787 8.230 -0.005 0.000 0.435 132 S N 0.314 115.951 115.700 -0.106 0.000 2.370 132 S HA -0.388 4.024 4.470 -0.096 0.000 0.226 132 S C 2.223 176.800 174.600 -0.039 0.000 1.033 132 S CA 3.951 62.099 58.200 -0.086 0.000 1.011 132 S CB -0.780 62.366 63.200 -0.091 0.000 0.852 132 S HN 0.245 8.491 8.310 -0.107 0.000 0.457 133 N N 0.636 119.322 118.700 -0.023 0.000 2.166 133 N HA -0.273 4.472 4.740 0.008 0.000 0.186 133 N C 2.011 177.547 175.510 0.043 0.000 1.019 133 N CA 2.509 55.564 53.050 0.008 0.000 0.856 133 N CB -0.467 38.026 38.487 0.010 0.000 0.993 133 N HN -0.175 8.187 8.380 -0.030 0.000 0.426 134 E N 1.105 121.331 120.200 0.044 0.000 2.106 134 E HA -0.198 4.241 4.350 0.148 0.000 0.192 134 E C 2.199 178.885 176.600 0.142 0.000 0.984 134 E CA 2.462 58.929 56.400 0.112 0.000 0.806 134 E CB -0.352 29.413 29.700 0.110 0.000 0.750 134 E HN -0.624 7.744 8.360 0.014 0.000 0.458 135 I N -0.373 120.238 120.570 0.069 0.000 2.286 135 I HA -0.540 3.728 4.170 0.165 0.000 0.248 135 I C 1.795 177.994 176.117 0.137 0.000 1.115 135 I CA 4.002 65.367 61.300 0.109 0.000 1.392 135 I CB -0.281 37.735 38.000 0.026 0.000 1.065 135 I HN -0.139 8.072 8.210 0.002 0.000 0.418 136 S N 0.461 116.208 115.700 0.078 0.000 2.370 136 S HA -0.490 4.008 4.470 0.048 0.000 0.226 136 S C 1.658 176.303 174.600 0.076 0.000 1.033 136 S CA 4.026 62.261 58.200 0.059 0.000 1.011 136 S CB -0.354 62.865 63.200 0.033 0.000 0.852 136 S HN -0.133 8.209 8.310 0.053 0.000 0.457 137 S N 2.146 117.914 115.700 0.114 0.000 2.368 137 S HA -0.293 4.237 4.470 0.100 0.000 0.224 137 S C 1.706 176.397 174.600 0.151 0.000 1.029 137 S CA 2.927 61.211 58.200 0.139 0.000 0.988 137 S CB -0.130 63.185 63.200 0.192 0.000 0.838 137 S HN -0.750 7.633 8.310 0.121 0.000 0.462 138 F N 3.697 123.623 119.950 -0.039 0.000 2.065 138 F HA -0.418 3.862 4.527 -0.412 0.000 0.298 138 F C 1.162 176.832 175.800 -0.217 0.000 1.112 138 F CA 3.924 61.733 58.000 -0.318 0.000 1.212 138 F CB 0.084 38.770 39.000 -0.524 0.000 0.975 138 F HN -0.265 8.198 8.300 0.273 0.000 0.476 139 L N -2.369 118.800 121.223 -0.090 0.000 2.046 139 L HA -0.516 3.640 4.340 -0.306 0.000 0.208 139 L C 2.132 178.902 176.870 -0.167 0.000 1.077 139 L CA 3.397 58.139 54.840 -0.165 0.000 0.747 139 L CB -0.724 41.331 42.059 -0.007 0.000 0.896 139 L HN 0.076 8.369 8.230 0.106 0.000 0.432 140 D N -3.389 116.962 120.400 -0.081 0.000 2.218 140 D HA -0.201 4.407 4.640 -0.053 0.000 0.204 140 D C 1.404 177.662 176.300 -0.071 0.000 0.976 140 D CA 2.979 56.947 54.000 -0.054 0.000 0.853 140 D CB -0.289 40.505 40.800 -0.009 0.000 0.939 140 D HN -0.292 8.055 8.370 -0.039 0.000 0.481 141 T N -0.348 114.142 114.554 -0.108 0.000 2.866 141 T HA -0.089 4.240 4.350 -0.035 0.000 0.250 141 T C 1.938 176.539 174.700 -0.166 0.000 1.033 141 T CA 3.341 65.391 62.100 -0.084 0.000 1.145 141 T CB 0.883 69.768 68.868 0.029 0.000 0.866 141 T HN -0.853 7.168 8.240 -0.139 0.136 0.434 142 I N -0.592 119.751 120.570 -0.379 0.000 2.614 142 I HA -0.169 3.877 4.170 -0.207 0.000 0.258 142 I C 0.983 176.999 176.117 -0.169 0.000 1.189 142 I CA 3.037 64.136 61.300 -0.335 0.000 1.462 142 I CB -0.352 37.258 38.000 -0.649 0.000 1.092 142 I HN -0.011 7.859 8.210 -0.567 0.000 0.442 143 K N -0.262 120.046 120.400 -0.153 0.000 2.360 143 K HA -0.104 4.341 4.320 -0.074 -0.170 0.201 143 K C 0.945 177.514 176.600 -0.052 0.000 1.046 143 K CA 2.187 58.424 56.287 -0.083 0.000 0.945 143 K CB -0.456 32.001 32.500 -0.072 0.000 0.750 143 K HN -0.452 7.669 8.250 -0.179 0.022 0.464 144 L N -2.594 118.599 121.223 -0.051 0.000 2.376 144 L HA -0.189 4.137 4.340 -0.024 0.000 0.219 144 L C 1.044 177.902 176.870 -0.020 0.000 1.133 144 L CA 1.689 56.512 54.840 -0.028 0.000 0.816 144 L CB 0.027 42.074 42.059 -0.020 0.000 0.933 144 L HN -0.558 7.589 8.230 -0.065 0.043 0.449 145 D N -3.695 116.692 120.400 -0.022 0.000 2.514 145 D HA 0.143 4.775 4.640 -0.012 0.000 0.249 145 D C -0.422 175.875 176.300 -0.004 0.000 1.036 145 D CA 1.225 55.219 54.000 -0.010 0.000 0.911 145 D CB 3.585 44.387 40.800 0.003 0.000 1.145 145 D HN -0.338 7.848 8.370 -0.032 0.165 0.495 146 I N -1.250 119.318 120.570 -0.003 0.000 2.802 146 I HA 0.166 4.342 4.170 0.009 0.000 0.298 146 I C -2.627 173.490 176.117 0.001 0.000 1.176 146 I CA -0.911 60.396 61.300 0.011 0.000 1.025 146 I CB 3.591 41.620 38.000 0.049 0.000 1.243 146 I HN -0.381 7.819 8.210 -0.015 0.000 0.424 147 S N 6.127 121.831 115.700 0.007 0.000 2.259 147 S HA 0.492 4.960 4.470 -0.003 0.000 0.181 147 S C -2.439 172.168 174.600 0.012 0.000 1.589 147 S CA -3.898 54.303 58.200 0.003 0.000 1.234 147 S CB -0.254 62.944 63.200 -0.002 0.000 1.119 147 S HN 0.544 8.861 8.310 0.010 0.000 0.458 148 P HA 0.256 4.695 4.420 0.032 0.000 0.277 148 P C -1.142 176.168 177.300 0.017 0.000 1.271 148 P CA -0.501 62.617 63.100 0.029 0.000 0.795 148 P CB 1.345 33.074 31.700 0.048 0.000 1.101 149 K N -3.992 116.418 120.400 0.017 0.000 2.354 149 K HA 0.097 4.616 4.320 0.005 -0.196 0.194 149 K C 0.944 177.545 176.600 0.001 0.000 1.038 149 K CA 0.081 56.372 56.287 0.007 0.000 1.052 149 K CB 1.022 33.524 32.500 0.005 0.000 0.861 149 K HN 0.000 8.161 8.250 0.022 0.103 0.535 150 N N 0.012 118.715 118.700 0.006 0.000 2.308 150 N HA 0.380 5.109 4.740 -0.018 0.000 0.283 150 N C -2.515 172.992 175.510 -0.004 0.000 1.105 150 N CA 0.104 53.148 53.050 -0.010 0.000 0.840 150 N CB 2.548 41.021 38.487 -0.022 0.000 1.633 150 N HN -0.683 nan 8.380 nan 0.000 0.476 151 V N 2.738 122.641 119.914 -0.018 0.000 2.638 151 V HA 0.656 4.979 4.120 0.001 -0.203 0.306 151 V C -2.237 173.832 176.094 -0.043 0.000 1.052 151 V CA -2.014 60.280 62.300 -0.010 0.000 0.885 151 V CB 3.085 34.918 31.823 0.017 0.000 0.999 151 V HN 0.256 8.429 8.190 -0.028 0.000 0.424 152 E N 6.173 126.335 120.200 -0.063 0.000 2.199 152 E HA 0.738 5.248 4.350 -0.054 -0.193 0.265 152 E C -1.730 174.847 176.600 -0.038 0.000 0.882 152 E CA -2.386 53.972 56.400 -0.070 0.000 0.759 152 E CB 3.815 33.441 29.700 -0.124 0.000 1.148 152 E HN 0.417 8.737 8.360 -0.067 0.000 0.412 153 V N 7.169 127.081 119.914 -0.003 0.000 2.333 153 V HA 0.309 4.591 4.120 0.012 -0.155 0.274 153 V C -1.750 174.370 176.094 0.042 0.000 1.028 153 V CA -1.185 61.132 62.300 0.029 0.000 0.851 153 V CB 0.833 32.689 31.823 0.055 0.000 1.000 153 V HN 0.394 8.586 8.190 0.003 0.000 0.456 154 N N 8.224 126.955 118.700 0.052 0.000 2.444 154 N HA 0.230 4.992 4.740 0.037 0.000 0.262 154 N C -1.834 173.714 175.510 0.064 0.000 0.974 154 N CA -1.313 51.767 53.050 0.050 0.000 0.933 154 N CB 2.148 40.665 38.487 0.049 0.000 1.137 154 N HN 0.604 9.014 8.380 0.049 0.000 0.498 155 L N 5.584 126.781 121.223 -0.044 0.000 2.270 155 L HA 0.107 4.300 4.340 -0.244 0.000 0.286 155 L C -1.569 175.303 176.870 0.002 0.000 1.059 155 L CA -0.681 54.006 54.840 -0.255 0.000 0.839 155 L CB -0.023 41.636 42.059 -0.666 0.000 1.221 155 L HN 0.474 8.672 8.230 -0.052 0.000 0.431 156 L N 6.991 128.355 121.223 0.235 0.000 2.282 156 L HA 0.469 5.069 4.340 0.195 -0.143 0.287 156 L C -1.686 175.406 176.870 0.370 0.000 1.075 156 L CA -1.144 53.851 54.840 0.257 0.000 0.839 156 L CB 0.785 42.968 42.059 0.207 0.000 1.219 156 L HN -0.112 8.305 8.230 0.312 0.000 0.434 157 G N 4.299 113.301 108.800 0.336 0.000 2.404 157 G HA2 0.065 4.126 3.960 0.170 0.000 0.298 157 G HA3 0.065 4.322 3.960 0.363 -0.079 0.298 157 G C -2.316 172.739 174.900 0.258 0.000 1.577 157 G CA 0.095 45.371 45.100 0.293 0.000 0.847 157 G HN 0.015 8.750 8.290 0.275 -0.280 0.598 158 C N 1.443 120.854 119.300 0.185 0.000 2.679 158 C HA -0.287 4.452 4.460 0.198 -0.161 0.417 158 C C 0.659 175.747 174.990 0.163 0.000 1.302 158 C CA 0.490 59.617 59.018 0.182 0.000 1.973 158 C CB 0.753 28.599 27.740 0.178 0.000 2.715 158 C HN 0.418 8.737 8.230 0.149 0.000 0.628 159 N N 0.367 119.166 118.700 0.166 0.000 2.738 159 N HA -0.373 4.624 4.740 0.184 -0.147 0.249 159 N C -0.578 175.046 175.510 0.189 0.000 1.047 159 N CA 1.360 54.517 53.050 0.179 0.000 0.707 159 N CB -1.896 36.684 38.487 0.155 0.000 0.937 159 N HN 0.643 9.124 8.380 0.167 0.000 0.545 160 M N -5.000 114.720 119.600 0.200 0.000 2.333 160 M HA 0.254 4.742 4.480 0.014 0.000 0.257 160 M C -1.610 174.896 176.300 0.342 0.000 1.078 160 M CA -1.223 54.169 55.300 0.152 0.000 1.005 160 M CB 0.295 32.955 32.600 0.100 0.000 1.444 160 M HN -0.370 8.042 8.290 0.202 0.000 0.496 161 F N -2.229 117.864 119.950 0.237 0.000 2.601 161 F HA 0.195 4.880 4.527 0.263 0.000 0.309 161 F C -2.812 172.913 175.800 -0.125 0.000 1.089 161 F CA -0.698 57.379 58.000 0.129 0.000 0.940 161 F CB 3.991 42.948 39.000 -0.071 0.000 1.273 161 F HN -0.724 7.799 8.300 0.372 0.000 0.450 162 S N 3.902 118.800 115.700 -1.337 0.000 2.536 162 S HA 0.161 4.215 4.470 -0.694 0.000 0.271 162 S C -0.640 173.287 174.600 -1.123 0.000 1.134 162 S CA -1.634 55.913 58.200 -1.088 0.000 0.897 162 S CB 1.392 63.788 63.200 -1.340 0.000 1.094 162 S HN 0.068 7.299 8.310 -1.800 0.000 0.473 163 Y N 3.469 123.512 120.300 -0.428 0.000 2.529 163 Y HA -0.016 4.414 4.550 -0.201 0.000 0.290 163 Y C 0.505 176.311 175.900 -0.156 0.000 1.177 163 Y CA 0.948 58.934 58.100 -0.191 0.000 1.305 163 Y CB -0.015 38.445 38.460 -0.000 0.000 1.047 163 Y HN 0.582 8.787 8.280 -0.124 0.000 0.522 164 D N -1.540 118.803 120.400 -0.096 0.000 2.355 164 D HA -0.004 4.550 4.640 -0.143 0.000 0.218 164 D C -0.307 175.790 176.300 -0.338 0.000 1.004 164 D CA 1.864 55.748 54.000 -0.193 0.000 0.880 164 D CB 0.502 41.129 40.800 -0.288 0.000 0.911 164 D HN -0.349 7.865 8.370 -0.161 0.059 0.528 165 F N -1.866 117.950 119.950 -0.223 0.000 2.575 165 F HA 0.163 4.642 4.527 -0.080 0.000 0.330 165 F C -0.832 174.909 175.800 -0.098 0.000 1.056 165 F CA -1.278 56.644 58.000 -0.129 0.000 0.964 165 F CB 3.184 42.126 39.000 -0.096 0.000 1.258 165 F HN -0.992 7.338 8.300 0.122 0.043 0.484 166 N N 0.863 119.652 118.700 0.150 0.000 2.454 166 N HA -0.066 4.720 4.740 0.076 0.000 0.254 166 N C 1.320 176.893 175.510 0.104 0.000 1.228 166 N CA 0.546 53.654 53.050 0.097 0.000 0.900 166 N CB 0.736 39.269 38.487 0.077 0.000 1.089 166 N HN 0.260 8.736 8.380 0.160 0.000 0.449 167 V N 2.408 122.380 119.914 0.098 0.000 2.392 167 V HA -0.448 3.784 4.120 0.186 0.000 0.249 167 V C 1.203 177.362 176.094 0.108 0.000 1.059 167 V CA 3.941 66.324 62.300 0.138 0.000 1.051 167 V CB -0.063 31.831 31.823 0.118 0.000 0.658 167 V HN 0.653 8.897 8.190 0.090 0.000 0.455 168 E N -3.276 116.968 120.200 0.073 0.000 2.478 168 E HA -0.250 4.132 4.350 0.053 0.000 0.198 168 E C 0.026 176.656 176.600 0.050 0.000 1.046 168 E CA 1.601 58.035 56.400 0.057 0.000 0.870 168 E CB -1.696 28.033 29.700 0.048 0.000 0.818 168 E HN 0.405 8.792 8.360 0.066 0.013 0.527 169 E N -2.740 117.503 120.200 0.072 0.000 2.472 169 E HA 0.107 4.483 4.350 0.043 0.000 0.196 169 E C -0.156 176.459 176.600 0.025 0.000 1.033 169 E CA -0.125 56.314 56.400 0.064 0.000 0.886 169 E CB 0.824 30.606 29.700 0.136 0.000 0.944 169 E HN -0.473 7.787 8.360 0.091 0.154 0.492 170 T N -2.431 112.153 114.554 0.050 0.000 2.882 170 T HA 0.073 4.425 4.350 0.003 0.000 0.287 170 T C -0.086 174.664 174.700 0.082 0.000 1.014 170 T CA -1.252 60.886 62.100 0.064 0.000 1.049 170 T CB 2.353 71.311 68.868 0.150 0.000 1.001 170 T HN -0.651 7.527 8.240 0.077 0.109 0.525 171 Y N 4.054 124.325 120.300 -0.049 0.000 2.145 171 Y HA -0.217 4.291 4.550 -0.069 0.000 0.286 171 Y C -1.274 174.611 175.900 -0.026 0.000 1.145 171 Y CA 4.683 62.748 58.100 -0.059 0.000 1.148 171 Y CB -1.443 36.964 38.460 -0.088 0.000 0.981 171 Y HN 0.708 9.085 8.280 0.162 0.000 0.507 172 P HA -0.184 4.284 4.420 0.079 0.000 0.218 172 P C 1.109 178.427 177.300 0.030 0.000 1.149 172 P CA 1.235 64.401 63.100 0.110 0.000 0.817 172 P CB -0.213 31.559 31.700 0.120 0.000 0.785 173 G N -1.112 107.730 108.800 0.070 0.000 2.421 173 G HA2 -0.341 3.643 3.960 0.041 0.000 0.216 173 G HA3 -0.341 3.854 3.960 0.067 -0.195 0.216 173 G C 1.163 176.050 174.900 -0.021 0.000 1.171 173 G CA 1.907 47.032 45.100 0.041 0.000 0.775 173 G HN -0.438 7.930 8.290 0.129 0.000 0.543 174 K N 0.440 120.797 120.400 -0.072 0.000 2.057 174 K HA -0.402 3.864 4.320 -0.089 0.000 0.207 174 K C 2.968 179.453 176.600 -0.192 0.000 1.049 174 K CA 2.418 58.625 56.287 -0.133 0.000 0.931 174 K CB -0.348 32.044 32.500 -0.180 0.000 0.714 174 K HN -0.333 7.879 8.250 -0.063 0.000 0.440 175 L N 1.497 122.558 121.223 -0.271 0.000 2.046 175 L HA -0.107 4.055 4.340 -0.297 0.000 0.208 175 L C 1.765 178.550 176.870 -0.141 0.000 1.077 175 L CA 1.832 56.514 54.840 -0.265 0.000 0.747 175 L CB -0.510 41.369 42.059 -0.300 0.000 0.896 175 L HN -0.176 nan 8.230 nan 0.000 0.432 176 L N -0.945 120.226 121.223 -0.087 0.000 2.017 176 L HA -0.351 3.960 4.340 -0.049 0.000 0.208 176 L C 1.600 178.425 176.870 -0.074 0.000 1.073 176 L CA 2.308 57.118 54.840 -0.050 0.000 0.745 176 L CB -0.041 42.021 42.059 0.005 0.000 0.894 176 L HN -0.476 7.709 8.230 -0.076 0.000 0.432 177 L N -4.422 116.758 121.223 -0.071 0.000 2.131 177 L HA -0.346 3.913 4.340 -0.135 0.000 0.210 177 L C 2.273 179.078 176.870 -0.108 0.000 1.092 177 L CA 2.790 57.572 54.840 -0.097 0.000 0.759 177 L CB -0.718 41.307 42.059 -0.058 0.000 0.903 177 L HN -0.512 7.684 8.230 -0.056 0.000 0.435 178 S N -1.776 113.861 115.700 -0.105 0.000 2.406 178 S HA -0.152 4.263 4.470 -0.092 0.000 0.228 178 S C 2.058 176.605 174.600 -0.089 0.000 1.020 178 S CA 2.621 60.760 58.200 -0.101 0.000 0.965 178 S CB 0.402 63.529 63.200 -0.122 0.000 0.798 178 S HN -0.464 7.667 8.310 -0.113 0.111 0.488 179 I N -4.254 116.263 120.570 -0.087 0.000 4.070 179 I HA 0.224 4.359 4.170 -0.057 0.000 0.328 179 I C 0.598 176.677 176.117 -0.064 0.000 1.298 179 I CA 1.341 62.602 61.300 -0.065 0.000 1.173 179 I CB -0.130 37.839 38.000 -0.051 0.000 1.051 179 I HN -0.610 7.544 8.210 -0.092 0.000 0.409 180 M N 0.007 119.552 119.600 -0.091 0.000 2.175 180 M HA -0.332 4.107 4.480 -0.068 0.000 0.264 180 M C 1.201 177.446 176.300 -0.091 0.000 1.063 180 M CA 4.445 59.687 55.300 -0.098 0.000 1.119 180 M CB -0.642 31.862 32.600 -0.159 0.000 1.377 180 M HN -0.526 7.699 8.290 -0.108 0.000 0.415 181 D N -0.431 119.909 120.400 -0.098 0.000 2.178 181 D HA -0.163 4.429 4.640 -0.081 0.000 0.202 181 D C 2.356 178.625 176.300 -0.051 0.000 0.974 181 D CA 3.063 57.017 54.000 -0.078 0.000 0.841 181 D CB -0.640 40.113 40.800 -0.079 0.000 0.953 181 D HN 0.225 8.531 8.370 -0.108 0.000 0.478 182 K N 0.088 120.462 120.400 -0.044 0.000 2.097 182 K HA -0.217 4.087 4.320 -0.026 0.000 0.205 182 K C 2.017 178.604 176.600 -0.020 0.000 1.050 182 K CA 2.301 58.572 56.287 -0.027 0.000 0.938 182 K CB -0.691 31.798 32.500 -0.019 0.000 0.718 182 K HN -0.821 7.400 8.250 -0.049 0.000 0.442 183 I N -1.280 119.278 120.570 -0.020 0.000 2.142 183 I HA -0.437 3.731 4.170 -0.002 0.000 0.240 183 I C 1.934 178.041 176.117 -0.017 0.000 1.078 183 I CA 4.253 65.547 61.300 -0.011 0.000 1.343 183 I CB 0.088 38.085 38.000 -0.006 0.000 1.046 183 I HN -0.286 7.908 8.210 -0.027 0.000 0.405 184 T N -2.084 112.454 114.554 -0.025 0.000 2.915 184 T HA -0.318 4.136 4.350 -0.016 -0.113 0.269 184 T C 1.875 176.563 174.700 -0.021 0.000 1.071 184 T CA 3.294 65.380 62.100 -0.022 0.000 1.132 184 T CB -0.094 68.757 68.868 -0.028 0.000 0.878 184 T HN -0.350 7.870 8.240 -0.033 0.000 0.479 185 S N 1.069 116.755 115.700 -0.024 0.000 2.387 185 S HA -0.127 4.332 4.470 -0.019 0.000 0.226 185 S C 1.745 176.333 174.600 -0.019 0.000 1.026 185 S CA 2.539 60.726 58.200 -0.021 0.000 0.972 185 S CB 0.103 63.290 63.200 -0.022 0.000 0.814 185 S HN -0.171 8.105 8.310 -0.027 0.018 0.477 186 T N -0.387 114.154 114.554 -0.021 0.000 3.035 186 T HA -0.005 4.331 4.350 -0.024 0.000 0.259 186 T C 0.229 174.913 174.700 -0.027 0.000 1.078 186 T CA 1.748 63.833 62.100 -0.025 0.000 1.132 186 T CB 1.197 70.046 68.868 -0.031 0.000 0.900 186 T HN -0.492 7.736 8.240 -0.021 0.000 0.480 187 L N 2.596 123.806 121.223 -0.022 0.000 2.408 187 L HA 0.684 5.012 4.340 -0.020 0.000 0.257 187 L C -1.781 175.082 176.870 -0.011 0.000 1.053 187 L CA -3.001 51.828 54.840 -0.018 0.000 0.922 187 L CB 0.389 42.439 42.059 -0.014 0.000 1.261 187 L HN -0.505 7.713 8.230 -0.019 0.000 0.458 188 P HA 0.079 4.649 4.420 -0.010 -0.155 0.226 188 P C -0.086 177.211 177.300 -0.005 0.000 1.153 188 P CA 1.358 64.453 63.100 -0.009 0.000 0.777 188 P CB 0.243 31.938 31.700 -0.008 0.000 0.794 189 D N -2.514 117.884 120.400 -0.004 0.000 2.340 189 D HA 0.215 4.854 4.640 -0.001 0.000 0.217 189 D C -1.313 174.987 176.300 -0.000 0.000 1.081 189 D CA -0.179 53.821 54.000 -0.001 0.000 0.842 189 D CB 0.624 41.424 40.800 0.000 0.000 0.934 189 D HN 0.202 8.533 8.370 -0.004 0.037 0.511 190 V N 2.164 122.077 119.914 -0.001 0.000 2.350 190 V HA 0.138 4.410 4.120 -0.000 -0.153 0.276 190 V C -1.349 174.744 176.094 -0.001 0.000 1.028 190 V CA -1.875 60.425 62.300 -0.001 0.000 0.860 190 V CB -0.355 31.468 31.823 -0.000 0.000 0.990 190 V HN -0.474 7.658 8.190 -0.003 0.056 0.453 191 N N 6.504 125.207 118.700 0.004 0.000 2.476 191 N HA 0.125 4.870 4.740 0.007 0.000 0.276 191 N C 0.861 176.384 175.510 0.022 0.000 1.204 191 N CA -1.055 52.002 53.050 0.011 0.000 0.974 191 N CB 1.280 39.777 38.487 0.016 0.000 1.204 191 N HN 0.126 8.507 8.380 0.003 0.000 0.543 192 K N -1.026 119.398 120.400 0.040 0.000 2.209 192 K HA -0.314 4.028 4.320 0.038 0.000 0.204 192 K C 1.168 177.841 176.600 0.121 0.000 1.048 192 K CA 3.710 60.041 56.287 0.073 0.000 0.940 192 K CB -0.105 32.460 32.500 0.109 0.000 0.729 192 K HN 0.629 8.903 8.250 0.041 0.000 0.451 193 N N -3.643 115.113 118.700 0.093 0.000 2.370 193 N HA 0.012 4.822 4.740 0.116 0.000 0.198 193 N C 0.354 175.865 175.510 0.002 0.000 1.156 193 N CA 0.785 53.877 53.050 0.070 0.000 0.839 193 N CB -0.253 38.261 38.487 0.045 0.000 0.989 193 N HN -0.414 8.123 8.380 0.074 -0.113 0.468 194 S N -1.967 113.734 115.700 0.002 0.000 2.855 194 S HA 0.249 4.680 4.470 -0.065 0.000 0.249 194 S C -2.082 172.499 174.600 -0.032 0.000 1.033 194 S CA -0.225 57.954 58.200 -0.034 0.000 1.038 194 S CB 0.911 64.096 63.200 -0.025 0.000 0.960 194 S HN -0.418 7.844 8.310 0.021 0.061 0.548 195 I N 1.542 122.110 120.570 -0.004 0.000 2.433 195 I HA 0.665 5.038 4.170 -0.017 -0.213 0.292 195 I C -1.342 174.784 176.117 0.015 0.000 1.001 195 I CA -0.949 60.353 61.300 0.002 0.000 1.119 195 I CB 2.998 41.011 38.000 0.022 0.000 1.289 195 I HN -1.021 7.203 8.210 0.023 0.000 0.438 196 T N 6.991 121.535 114.554 -0.018 0.000 2.909 196 T HA 0.584 5.131 4.350 0.077 -0.151 0.299 196 T C -1.353 173.366 174.700 0.031 0.000 1.073 196 T CA -1.012 61.089 62.100 0.001 0.000 0.999 196 T CB 3.194 71.962 68.868 -0.166 0.000 1.098 196 T HN -0.006 8.213 8.240 -0.035 0.000 0.477 197 I N 3.725 124.337 120.570 0.070 0.000 2.354 197 I HA 0.650 5.068 4.170 0.037 -0.226 0.292 197 I C -0.138 176.032 176.117 0.087 0.000 0.989 197 I CA -2.939 58.391 61.300 0.051 0.000 1.188 197 I CB 0.791 38.804 38.000 0.021 0.000 1.342 197 I HN 0.583 8.850 8.210 0.096 0.000 0.457 198 G N 5.149 113.997 108.800 0.080 0.000 2.338 198 G HA2 0.509 4.727 3.960 0.107 0.000 0.298 198 G HA3 0.509 4.652 3.960 0.084 -0.132 0.298 198 G C -2.522 172.374 174.900 -0.007 0.000 1.140 198 G CA -1.379 43.765 45.100 0.073 0.000 0.860 198 G HN 0.384 8.710 8.290 0.060 0.000 0.470 199 A N 3.857 126.650 122.820 -0.046 0.000 2.587 199 A HA 0.682 5.000 4.320 -0.004 0.000 0.293 199 A C -2.427 175.168 177.584 0.017 0.000 1.087 199 A CA -1.044 50.983 52.037 -0.017 0.000 0.692 199 A CB 3.983 22.986 19.000 0.004 0.000 1.291 199 A HN 0.228 8.329 8.150 -0.082 0.000 0.407 200 N N 0.612 119.367 118.700 0.091 0.000 2.430 200 N HA 0.391 5.192 4.740 0.102 0.000 0.292 200 N C 0.609 176.192 175.510 0.122 0.000 1.051 200 N CA -0.919 52.202 53.050 0.118 0.000 0.917 200 N CB 1.881 40.461 38.487 0.156 0.000 1.164 200 N HN 0.480 8.923 8.380 0.106 0.000 0.484 201 Q N 1.366 121.177 119.800 0.019 0.000 2.269 201 Q HA -0.009 4.514 4.340 -0.049 -0.213 0.201 201 Q C 1.567 177.380 176.000 -0.311 0.000 0.946 201 Q CA 1.786 57.470 55.803 -0.199 0.000 0.877 201 Q CB 0.866 29.287 28.738 -0.529 0.000 0.963 201 Q HN 0.684 8.963 8.270 0.017 0.000 0.472 202 Y N -1.376 119.001 120.300 0.128 0.000 2.650 202 Y HA 0.252 4.857 4.550 0.091 0.000 0.331 202 Y C 0.269 176.227 175.900 0.096 0.000 1.082 202 Y CA -2.315 55.837 58.100 0.087 0.000 1.171 202 Y CB 1.476 39.952 38.460 0.025 0.000 1.326 202 Y HN -0.490 nan 8.280 nan 0.000 0.513 203 E N 1.301 121.646 120.200 0.242 0.000 2.392 203 E HA -0.064 4.432 4.350 0.243 0.000 0.264 203 E C -1.254 175.524 176.600 0.295 0.000 1.024 203 E CA 0.918 57.453 56.400 0.225 0.000 0.903 203 E CB 0.184 29.986 29.700 0.170 0.000 0.963 203 E HN 0.369 8.860 8.360 0.218 0.000 0.432 204 V N -2.593 117.553 119.914 0.387 0.000 3.078 204 V HA 0.991 5.618 4.120 0.560 -0.171 0.311 204 V C -1.037 175.272 176.094 0.359 0.000 1.138 204 V CA -3.035 59.522 62.300 0.427 0.000 1.007 204 V CB 4.032 36.013 31.823 0.263 0.000 1.045 204 V HN -0.475 7.917 8.190 0.337 0.000 0.432 205 R N -0.725 119.913 120.500 0.229 0.000 2.764 205 R HA 0.352 4.693 4.340 0.000 0.000 0.270 205 R C -2.239 174.057 176.300 -0.007 0.000 1.014 205 R CA -1.934 54.156 56.100 -0.016 0.000 0.904 205 R CB 3.405 33.496 30.300 -0.348 0.000 1.236 205 R HN 0.210 8.647 8.270 0.279 0.000 0.466 206 I N 0.305 120.853 120.570 -0.037 0.000 2.321 206 I HA 0.342 4.665 4.170 0.006 -0.149 0.291 206 I C 0.105 176.183 176.117 -0.064 0.000 0.998 206 I CA -2.403 58.886 61.300 -0.020 0.000 1.227 206 I CB -0.686 37.315 38.000 0.001 0.000 1.368 206 I HN 0.284 8.464 8.210 -0.051 0.000 0.466 207 N N 8.275 126.943 118.700 -0.054 0.000 2.327 207 N HA -0.012 4.661 4.740 -0.112 0.000 0.257 207 N C 0.823 176.303 175.510 -0.050 0.000 1.281 207 N CA -0.627 52.380 53.050 -0.073 0.000 0.942 207 N CB 0.641 39.094 38.487 -0.056 0.000 1.199 207 N HN 0.496 8.859 8.380 -0.028 0.000 0.532 208 S N -4.015 111.657 115.700 -0.047 0.000 2.515 208 S HA -0.104 4.510 4.470 -0.032 -0.162 0.231 208 S C 0.825 175.406 174.600 -0.032 0.000 0.987 208 S CA 2.260 60.441 58.200 -0.033 0.000 0.936 208 S CB -0.500 62.686 63.200 -0.024 0.000 0.766 208 S HN 0.376 8.654 8.310 -0.052 0.000 0.528 209 E N -0.586 119.598 120.200 -0.028 0.000 2.476 209 E HA 0.202 4.774 4.350 -0.033 -0.241 0.196 209 E C 0.106 176.693 176.600 -0.022 0.000 1.029 209 E CA -1.435 54.949 56.400 -0.026 0.000 0.896 209 E CB -0.227 29.463 29.700 -0.018 0.000 1.012 209 E HN -0.754 7.774 8.360 -0.026 -0.184 0.475 210 G N -1.664 107.125 108.800 -0.018 0.000 2.132 210 G HA2 -0.427 3.531 3.960 -0.003 0.000 0.234 210 G HA3 -0.427 3.649 3.960 -0.007 -0.121 0.234 210 G C -0.697 174.212 174.900 0.016 0.000 0.989 210 G CA 0.184 45.281 45.100 -0.004 0.000 0.676 210 G HN -0.110 8.046 8.290 -0.022 0.121 0.522 211 R N -0.405 120.103 120.500 0.014 0.000 2.407 211 R HA 0.220 4.584 4.340 0.040 0.000 0.303 211 R C -0.898 175.427 176.300 0.042 0.000 0.981 211 R CA -1.833 54.286 56.100 0.031 0.000 0.905 211 R CB 2.074 32.389 30.300 0.026 0.000 1.099 211 R HN -0.208 8.352 8.270 0.004 -0.288 0.459 212 K N 5.047 125.485 120.400 0.064 0.000 2.368 212 K HA 0.218 4.784 4.320 0.081 -0.198 0.282 212 K C -0.380 176.284 176.600 0.106 0.000 1.035 212 K CA 0.392 56.730 56.287 0.086 0.000 0.973 212 K CB 0.808 33.367 32.500 0.099 0.000 0.957 212 K HN 0.523 8.813 8.250 0.067 0.000 0.474 213 E N 4.888 125.179 120.200 0.151 0.000 2.256 213 E HA 0.774 5.398 4.350 0.185 -0.163 0.267 213 E C -1.562 175.267 176.600 0.381 0.000 0.892 213 E CA -1.639 54.907 56.400 0.242 0.000 0.775 213 E CB 4.209 34.072 29.700 0.273 0.000 1.207 213 E HN 0.176 8.622 8.360 0.143 0.000 0.420 214 L N -0.477 120.915 121.223 0.280 0.000 2.334 214 L HA 0.804 5.451 4.340 0.256 -0.153 0.273 214 L C -1.802 174.978 176.870 -0.151 0.000 1.013 214 L CA -1.734 53.193 54.840 0.146 0.000 0.816 214 L CB 2.945 45.029 42.059 0.041 0.000 1.278 214 L HN 0.400 8.748 8.230 0.196 0.000 0.431 215 L N 3.089 123.969 121.223 -0.572 0.000 2.342 215 L HA 0.156 3.751 4.340 -1.240 0.000 0.285 215 L C -0.739 175.782 176.870 -0.581 0.000 1.095 215 L CA -0.969 53.269 54.840 -1.004 0.000 0.843 215 L CB 0.171 41.468 42.059 -1.270 0.000 1.201 215 L HN -0.225 7.751 8.230 -0.424 0.000 0.445 216 A N 6.504 129.021 122.820 -0.506 0.000 2.327 216 A HA 0.081 3.990 4.320 -0.686 0.000 0.255 216 A C 1.922 179.301 177.584 -0.342 0.000 1.099 216 A CA 0.124 51.863 52.037 -0.497 0.000 0.801 216 A CB 0.411 19.196 19.000 -0.359 0.000 1.062 216 A HN 0.241 8.109 8.150 -0.469 0.000 0.496 217 H N 1.877 120.817 119.070 -0.216 0.000 2.489 217 H HA -0.185 4.307 4.556 -0.107 0.000 0.293 217 H C 0.689 175.958 175.328 -0.099 0.000 1.066 217 H CA 1.703 57.677 56.048 -0.124 0.000 1.305 217 H CB 0.035 29.749 29.762 -0.080 0.000 1.386 217 H HN 0.502 nan 8.280 nan 0.000 0.551 218 S N -1.646 114.048 115.700 -0.011 0.000 2.561 218 S HA -0.125 4.347 4.470 0.002 0.000 0.225 218 S C 0.818 175.389 174.600 -0.048 0.000 0.977 218 S CA 0.072 58.258 58.200 -0.023 0.000 0.926 218 S CB -0.194 62.984 63.200 -0.036 0.000 0.769 218 S HN -0.341 7.901 8.310 -0.063 0.030 0.533 219 G N 2.096 110.835 108.800 -0.103 0.000 2.179 219 G HA2 -0.449 3.401 3.960 -0.183 0.000 0.260 219 G HA3 -0.449 3.469 3.960 -0.070 0.000 0.260 219 G C -1.370 173.434 174.900 -0.160 0.000 0.977 219 G CA -0.057 44.964 45.100 -0.132 0.000 0.641 219 G HN -0.278 7.770 8.290 -0.128 0.166 0.533 220 K N 0.962 121.271 120.400 -0.151 0.000 2.201 220 K HA 0.204 4.528 4.320 0.006 0.000 0.278 220 K C -0.956 175.549 176.600 -0.158 0.000 1.027 220 K CA -1.327 54.912 56.287 -0.079 0.000 0.909 220 K CB 1.382 33.864 32.500 -0.031 0.000 1.062 220 K HN -0.778 7.330 8.250 -0.144 0.056 0.465 221 W N 4.126 125.418 121.300 -0.013 0.000 2.311 221 W HA 0.214 5.061 4.660 -0.019 -0.199 0.310 221 W C 0.473 176.980 176.519 -0.020 0.000 1.274 221 W CA -0.107 57.230 57.345 -0.013 0.000 1.215 221 W CB 0.525 29.988 29.460 0.004 0.000 1.227 221 W HN 0.229 8.600 8.180 0.318 0.000 0.523 222 I N -1.916 118.759 120.570 0.175 0.000 2.647 222 I HA 0.530 4.756 4.170 0.093 0.000 0.295 222 I C -1.877 174.295 176.117 0.091 0.000 1.078 222 I CA -2.321 59.030 61.300 0.086 0.000 1.048 222 I CB 3.269 41.266 38.000 -0.006 0.000 1.239 222 I HN 0.403 8.713 8.210 0.168 0.000 0.421 223 N N 4.083 122.823 118.700 0.066 0.000 2.418 223 N HA 0.158 4.943 4.740 0.076 0.000 0.283 223 N C 0.911 176.444 175.510 0.038 0.000 1.267 223 N CA -1.475 51.610 53.050 0.058 0.000 0.975 223 N CB 1.083 39.597 38.487 0.046 0.000 1.167 223 N HN 0.242 8.655 8.380 0.055 0.000 0.581 224 K N 0.017 120.439 120.400 0.036 0.000 2.032 224 K HA -0.409 3.929 4.320 0.029 0.000 0.209 224 K C 2.033 178.643 176.600 0.016 0.000 1.048 224 K CA 4.424 60.728 56.287 0.028 0.000 0.927 224 K CB -0.082 32.435 32.500 0.029 0.000 0.712 224 K HN 0.592 8.866 8.250 0.039 0.000 0.441 225 E N -1.705 118.503 120.200 0.014 0.000 2.107 225 E HA -0.279 4.075 4.350 0.007 0.000 0.191 225 E C 2.344 178.945 176.600 0.002 0.000 0.982 225 E CA 3.230 59.635 56.400 0.008 0.000 0.809 225 E CB -0.300 29.406 29.700 0.009 0.000 0.756 225 E HN -0.510 7.969 8.360 0.018 -0.109 0.459 226 E N -0.010 120.192 120.200 0.002 0.000 2.152 226 E HA -0.262 4.083 4.350 -0.008 0.000 0.192 226 E C 2.077 178.663 176.600 -0.024 0.000 0.983 226 E CA 2.483 58.879 56.400 -0.007 0.000 0.818 226 E CB 0.048 29.747 29.700 -0.002 0.000 0.758 226 E HN -0.336 8.330 8.360 0.009 -0.302 0.467 227 A N -0.356 122.451 122.820 -0.023 0.000 1.898 227 A HA -0.221 4.054 4.320 -0.075 0.000 0.216 227 A C 2.144 179.708 177.584 -0.032 0.000 1.181 227 A CA 3.155 55.166 52.037 -0.045 0.000 0.620 227 A CB -0.755 18.226 19.000 -0.032 0.000 0.819 227 A HN -0.144 8.000 8.150 -0.010 0.000 0.442 228 I N -1.153 119.409 120.570 -0.013 0.000 2.163 228 I HA -0.583 3.584 4.170 -0.006 0.000 0.243 228 I C 2.748 178.859 176.117 -0.011 0.000 1.085 228 I CA 4.197 65.492 61.300 -0.007 0.000 1.347 228 I CB -0.005 37.995 38.000 -0.000 0.000 1.044 228 I HN -0.620 7.586 8.210 -0.008 0.000 0.408 229 M N -0.490 119.102 119.600 -0.012 0.000 2.279 229 M HA -0.341 4.134 4.480 -0.008 0.000 0.264 229 M C 1.422 177.711 176.300 -0.019 0.000 1.062 229 M CA 3.487 58.780 55.300 -0.012 0.000 1.099 229 M CB -0.032 32.562 32.600 -0.010 0.000 1.394 229 M HN -0.359 7.924 8.290 -0.011 0.000 0.426 230 S N -2.202 113.478 115.700 -0.033 0.000 2.593 230 S HA 0.085 4.532 4.470 -0.037 0.000 0.217 230 S C -0.375 174.200 174.600 -0.043 0.000 0.966 230 S CA 0.148 58.320 58.200 -0.047 0.000 0.914 230 S CB -0.197 62.953 63.200 -0.084 0.000 0.776 230 S HN -0.555 7.604 8.310 -0.037 0.129 0.523 231 D N -0.423 119.961 120.400 -0.026 0.000 2.723 231 D HA -0.427 4.211 4.640 -0.003 0.000 0.236 231 D C -1.671 174.621 176.300 -0.013 0.000 1.138 231 D CA 1.847 55.841 54.000 -0.010 0.000 0.676 231 D CB -1.338 39.463 40.800 0.002 0.000 1.069 231 D HN -0.433 7.751 8.370 -0.022 0.172 0.430 232 L N -2.367 118.831 121.223 -0.043 0.000 2.356 232 L HA 0.261 4.590 4.340 -0.018 0.000 0.277 232 L C -1.061 175.820 176.870 0.018 0.000 0.996 232 L CA -1.079 53.720 54.840 -0.068 0.000 0.822 232 L CB 2.080 43.978 42.059 -0.268 0.000 1.256 232 L HN -0.478 7.723 8.230 -0.049 0.000 0.413 233 S N 1.383 117.177 115.700 0.156 0.000 2.439 233 S HA 0.125 4.653 4.470 0.097 0.000 0.282 233 S C 0.285 175.033 174.600 0.247 0.000 1.170 233 S CA -1.018 57.286 58.200 0.174 0.000 1.054 233 S CB 0.492 63.808 63.200 0.193 0.000 0.956 233 S HN 0.258 8.712 8.310 0.241 0.000 0.490 234 S N 4.788 120.570 115.700 0.136 0.000 2.503 234 S HA -0.012 4.604 4.470 0.243 0.000 0.217 234 S C -0.402 174.266 174.600 0.113 0.000 0.999 234 S CA 0.569 58.862 58.200 0.155 0.000 0.914 234 S CB 0.500 63.754 63.200 0.090 0.000 0.782 234 S HN 0.421 8.778 8.310 0.079 0.000 0.520 235 K N 0.990 121.410 120.400 0.033 0.000 2.550 235 K HA 0.276 4.736 4.320 -0.016 -0.150 0.252 235 K C -2.376 174.132 176.600 -0.153 0.000 0.943 235 K CA -0.116 56.136 56.287 -0.057 0.000 0.806 235 K CB 2.712 35.144 32.500 -0.112 0.000 1.289 235 K HN -0.925 7.338 8.250 0.022 0.000 0.435 236 E N 4.476 124.572 120.200 -0.173 0.000 2.202 236 E HA 0.595 4.953 4.350 -0.182 -0.118 0.272 236 E C -1.057 175.406 176.600 -0.228 0.000 0.951 236 E CA -2.746 53.510 56.400 -0.239 0.000 0.813 236 E CB 2.616 32.057 29.700 -0.433 0.000 1.151 236 E HN 0.430 8.704 8.360 -0.143 0.000 0.398 237 Y N 0.387 120.645 120.300 -0.070 0.000 2.331 237 Y HA 0.420 5.116 4.550 -0.028 -0.162 0.338 237 Y C -0.398 175.523 175.900 0.035 0.000 0.992 237 Y CA -1.484 56.619 58.100 0.004 0.000 1.121 237 Y CB 1.544 40.057 38.460 0.089 0.000 1.184 237 Y HN 0.672 8.978 8.280 0.042 0.000 0.469 238 I N 2.875 123.541 120.570 0.160 0.000 2.404 238 I HA 0.696 5.021 4.170 -0.052 -0.186 0.293 238 I C -1.366 174.868 176.117 0.195 0.000 0.992 238 I CA -1.447 59.876 61.300 0.038 0.000 1.149 238 I CB 2.248 40.203 38.000 -0.076 0.000 1.315 238 I HN 0.540 8.839 8.210 0.148 0.000 0.446 239 F N 2.640 122.613 119.950 0.038 0.000 2.711 239 F HA 0.536 5.099 4.527 0.060 0.000 0.313 239 F C -2.963 172.907 175.800 0.116 0.000 1.141 239 F CA -2.041 55.993 58.000 0.057 0.000 0.941 239 F CB 3.094 42.100 39.000 0.009 0.000 1.349 239 F HN 0.516 8.578 8.300 -0.397 0.000 0.464 240 F N 0.781 120.825 119.950 0.156 0.000 2.427 240 F HA 0.371 4.999 4.527 -0.034 -0.121 0.346 240 F C -1.979 173.924 175.800 0.171 0.000 1.120 240 F CA -1.174 56.864 58.000 0.063 0.000 1.033 240 F CB 3.116 42.142 39.000 0.042 0.000 1.126 240 F HN 0.707 9.299 8.300 0.487 0.000 0.462 241 D N 7.221 127.396 120.400 -0.376 0.000 2.412 241 D HA 0.332 5.005 4.640 0.055 0.000 0.224 241 D C 0.287 176.354 176.300 -0.388 0.000 1.093 241 D CA -1.279 52.617 54.000 -0.173 0.000 0.850 241 D CB 1.647 42.402 40.800 -0.076 0.000 1.046 241 D HN 0.102 8.086 8.370 -0.643 0.000 0.507 242 S N 6.328 121.983 115.700 -0.075 0.000 2.442 242 S HA -0.224 nan 4.470 nan 0.000 0.236 242 S C 1.449 176.048 174.600 -0.002 0.000 1.007 242 S CA 2.801 61.038 58.200 0.063 0.000 0.965 242 S CB -0.068 63.242 63.200 0.184 0.000 0.773 242 S HN 0.486 8.636 8.310 -0.266 0.000 0.504 243 I N -0.328 120.225 120.570 -0.028 0.000 2.315 243 I HA -0.317 3.855 4.170 0.003 0.000 0.248 243 I C 0.577 176.672 176.117 -0.036 0.000 1.117 243 I CA 2.503 63.794 61.300 -0.016 0.000 1.404 243 I CB 0.197 38.193 38.000 -0.007 0.000 1.071 243 I HN -0.459 7.970 8.210 -0.033 -0.239 0.419 244 D N -4.744 115.605 120.400 -0.085 0.000 2.513 244 D HA 0.032 4.643 4.640 -0.049 0.000 0.222 244 D C -0.343 175.878 176.300 -0.132 0.000 1.210 244 D CA -1.628 52.322 54.000 -0.084 0.000 0.825 244 D CB 0.752 41.510 40.800 -0.071 0.000 1.037 244 D HN -0.626 7.671 8.370 -0.122 0.000 0.506 245 N N -1.678 116.884 118.700 -0.231 0.000 2.725 245 N HA -0.446 4.000 4.740 -0.573 -0.049 0.251 245 N C -1.483 173.784 175.510 -0.404 0.000 1.031 245 N CA 1.820 54.690 53.050 -0.301 0.000 0.720 245 N CB -2.019 36.513 38.487 0.075 0.000 0.930 245 N HN -0.075 8.049 8.380 -0.239 0.112 0.543 246 K N -3.284 116.748 120.400 -0.613 0.000 2.375 246 K HA 0.292 4.487 4.320 -0.208 0.000 0.249 246 K C -1.274 175.054 176.600 -0.453 0.000 0.942 246 K CA -2.025 54.044 56.287 -0.363 0.000 0.806 246 K CB 3.913 36.289 32.500 -0.206 0.000 1.227 246 K HN -0.707 7.227 8.250 -0.698 -0.103 0.430 247 L N 2.541 123.648 121.223 -0.193 0.000 2.397 247 L HA 0.238 4.638 4.340 -0.180 -0.168 0.271 247 L C 0.278 176.984 176.870 -0.274 0.000 1.148 247 L CA 0.429 55.172 54.840 -0.162 0.000 0.825 247 L CB 0.620 42.673 42.059 -0.010 0.000 1.117 247 L HN 0.426 8.605 8.230 -0.086 0.000 0.456 248 K N 0.161 120.237 120.400 -0.540 0.000 2.466 248 K HA 0.456 4.598 4.320 -0.296 0.000 0.260 248 K C -2.164 174.032 176.600 -0.673 0.000 1.011 248 K CA -1.947 53.975 56.287 -0.608 0.000 0.871 248 K CB 5.251 37.282 32.500 -0.783 0.000 1.404 248 K HN 0.435 8.265 8.250 -0.699 0.000 0.450 249 A N -1.167 121.516 122.820 -0.228 0.000 2.515 249 A HA 1.159 5.681 4.320 -0.032 -0.221 0.298 249 A C -2.183 175.597 177.584 0.328 0.000 1.059 249 A CA -1.740 50.308 52.037 0.017 0.000 0.698 249 A CB 4.051 23.027 19.000 -0.040 0.000 1.289 249 A HN 0.248 8.354 8.150 -0.073 0.000 0.404 250 K N -0.059 120.578 120.400 0.395 0.000 2.556 250 K HA 0.431 5.060 4.320 0.360 -0.093 0.274 250 K C -1.532 175.218 176.600 0.250 0.000 0.966 250 K CA -1.332 55.172 56.287 0.361 0.000 0.865 250 K CB 3.856 36.566 32.500 0.350 0.000 1.444 250 K HN 0.529 9.001 8.250 0.370 0.000 0.433 251 S N 1.012 116.816 115.700 0.173 0.000 2.564 251 S HA -0.105 4.559 4.470 0.050 -0.164 0.278 251 S C 0.434 175.008 174.600 -0.043 0.000 1.333 251 S CA 0.282 58.520 58.200 0.062 0.000 1.048 251 S CB 0.879 64.115 63.200 0.060 0.000 0.900 251 S HN 0.235 8.636 8.310 0.151 0.000 0.505 252 K N 6.297 126.544 120.400 -0.256 0.000 2.025 252 K HA -0.174 3.938 4.320 -0.345 0.000 0.207 252 K C 1.037 177.580 176.600 -0.094 0.000 1.049 252 K CA 2.444 58.513 56.287 -0.364 0.000 0.933 252 K CB 0.305 32.413 32.500 -0.653 0.000 0.714 252 K HN 0.303 8.377 8.250 -0.293 0.000 0.438 253 N N -4.047 114.614 118.700 -0.066 0.000 2.250 253 N HA 0.062 4.796 4.740 -0.009 0.000 0.190 253 N C -0.353 175.159 175.510 0.003 0.000 1.116 253 N CA 0.503 53.543 53.050 -0.018 0.000 0.881 253 N CB 1.683 40.161 38.487 -0.015 0.000 1.006 253 N HN -0.534 7.802 8.380 -0.073 0.000 0.491 254 I N 0.984 121.560 120.570 0.009 0.000 2.359 254 I HA 0.527 4.704 4.170 0.012 0.000 0.284 254 I C -1.577 174.548 176.117 0.014 0.000 1.018 254 I CA -4.289 57.020 61.300 0.014 0.000 1.173 254 I CB -0.388 37.626 38.000 0.023 0.000 1.326 254 I HN -0.486 7.728 8.210 0.007 0.000 0.462 255 P HA -0.148 4.285 4.420 0.021 0.000 0.220 255 P C 0.498 177.805 177.300 0.011 0.000 1.144 255 P CA 1.860 64.969 63.100 0.015 0.000 0.800 255 P CB 0.079 31.786 31.700 0.012 0.000 0.772 256 G N -3.857 104.944 108.800 0.001 0.000 2.887 256 G HA2 -0.011 3.946 3.960 -0.004 0.000 0.211 256 G HA3 -0.011 3.941 3.960 -0.014 0.000 0.211 256 G C -0.830 174.051 174.900 -0.033 0.000 1.152 256 G CA -0.500 44.594 45.100 -0.010 0.000 0.769 256 G HN 0.092 8.336 8.290 -0.000 0.046 0.541 257 L N 1.123 122.319 121.223 -0.044 0.000 2.264 257 L HA 0.284 4.519 4.340 -0.174 0.000 0.289 257 L C -2.421 174.374 176.870 -0.125 0.000 1.044 257 L CA -0.152 54.609 54.840 -0.133 0.000 0.807 257 L CB 0.831 42.809 42.059 -0.135 0.000 1.192 257 L HN -0.760 7.456 8.230 -0.022 0.000 0.425 258 A N 4.333 127.030 122.820 -0.204 0.000 2.608 258 A HA 0.214 4.715 4.320 0.133 -0.101 0.292 258 A C -1.292 176.320 177.584 0.048 0.000 1.066 258 A CA -0.738 51.301 52.037 0.004 0.000 0.676 258 A CB 2.536 21.590 19.000 0.091 0.000 1.277 258 A HN -0.179 7.803 8.150 -0.280 0.000 0.413 259 S N 0.000 115.888 115.700 0.313 0.000 2.498 259 S HA 0.000 4.737 4.470 0.444 0.000 0.327 259 S CA 0.000 58.392 58.200 0.319 0.000 1.107 259 S CB 0.000 63.367 63.200 0.278 0.000 0.593 259 S HN 0.000 8.530 8.310 0.367 0.000 0.517