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 1shc_1_A DATA FIRST_RESID 13 DATA SEQUENCE GSHMGQLGGE EWTRHGSFVN KPTRGWLHPN DKVMGPGVSY LVRYMGCVEV DATA SEQUENCE LQSMRALDFN TRTQVTREAI SLVCEAVPGA KGATRRRKPC SRPLSSILGR DATA SEQUENCE SNLKFAGMPI TLTVSTSSLN LMAADCKQII ANHHMQSISF ASGGDPDTAE DATA SEQUENCE YVAYVAKDPV NQRACHILEC PEGLAQDVIS TIGQAFELRF KQYLR 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 13 G HA2 0.000 nan 3.960 nan 0.000 0.244 13 G HA3 0.000 4.053 3.960 0.155 0.000 0.244 13 G C 0.000 174.881 174.900 -0.032 0.000 0.946 13 G CA 0.000 45.189 45.100 0.148 0.000 0.502 14 S N 0.866 116.542 115.700 -0.039 0.000 2.489 14 S HA 0.281 4.569 4.470 -0.500 -0.118 0.291 14 S C -1.244 173.233 174.600 -0.205 0.000 1.151 14 S CA -0.425 57.608 58.200 -0.277 0.000 1.082 14 S CB 0.967 64.089 63.200 -0.129 0.000 1.019 14 S HN -0.212 8.141 8.310 0.072 0.000 0.492 15 H N 0.878 119.933 119.070 -0.026 0.000 1.807 15 H HA -0.010 4.539 4.556 -0.012 0.000 0.116 15 H C 0.017 175.344 175.328 -0.002 0.000 0.915 15 H CA 0.263 56.305 56.048 -0.010 0.000 0.423 15 H CB 0.172 29.936 29.762 0.004 0.000 0.323 15 H HN 0.281 8.516 8.280 -0.667 -0.355 0.218 16 M N 1.577 121.131 119.600 -0.077 0.000 2.443 16 M HA -0.211 4.379 4.480 0.184 0.000 0.267 16 M C 1.441 177.736 176.300 -0.009 0.000 1.069 16 M CA 2.560 57.896 55.300 0.061 0.000 1.085 16 M CB 0.708 33.344 32.600 0.060 0.000 1.243 16 M HN -0.077 7.880 8.290 -0.578 -0.014 0.464 17 G N -4.138 104.577 108.800 -0.141 0.000 4.144 17 G HA2 0.089 4.017 3.960 -0.053 0.000 0.297 17 G HA3 0.089 3.948 3.960 -0.168 0.000 0.297 17 G C -1.240 173.556 174.900 -0.173 0.000 1.090 17 G CA -0.354 44.666 45.100 -0.134 0.000 0.870 17 G HN -0.334 7.950 8.290 -0.261 -0.151 0.532 18 Q N -2.834 116.867 119.800 -0.165 0.000 1.063 18 Q HA -0.615 3.774 4.340 -0.155 -0.142 0.408 18 Q C -1.693 174.201 176.000 -0.177 0.000 1.028 18 Q CA 1.144 56.858 55.803 -0.147 0.000 0.480 18 Q CB -1.277 27.410 28.738 -0.085 0.000 5.153 18 Q HN -0.353 7.821 8.270 -0.158 0.001 0.495 19 L N -3.645 117.499 121.223 -0.132 0.000 1.641 19 L HA -0.347 3.935 4.340 -0.098 0.000 0.351 19 L C 0.851 177.624 176.870 -0.162 0.000 1.082 19 L CA 1.294 56.055 54.840 -0.131 0.000 1.226 19 L CB -0.581 41.394 42.059 -0.140 0.000 0.561 19 L HN 0.320 8.488 8.230 -0.102 0.000 0.249 20 G N -2.966 105.746 108.800 -0.146 0.000 2.781 20 G HA2 0.050 3.909 3.960 -0.169 0.000 0.208 20 G HA3 0.050 3.944 3.960 -0.109 0.000 0.208 20 G C 0.401 175.187 174.900 -0.190 0.000 1.099 20 G CA 0.709 45.718 45.100 -0.152 0.000 0.776 20 G HN 0.362 8.579 8.290 -0.121 0.000 0.532 21 G N -0.510 108.180 108.800 -0.183 0.000 3.518 21 G HA2 0.109 3.943 3.960 -0.211 0.000 0.273 21 G HA3 0.109 3.991 3.960 -0.131 0.000 0.273 21 G C -1.065 173.653 174.900 -0.303 0.000 1.199 21 G CA -0.174 44.808 45.100 -0.197 0.000 0.899 21 G HN -0.190 8.008 8.290 -0.154 0.000 0.533 22 E N -4.491 115.432 120.200 -0.461 0.000 3.042 22 E HA -0.034 3.657 4.350 -1.099 0.000 0.144 22 E C -1.562 174.367 176.600 -1.119 0.000 0.893 22 E CA -0.302 55.601 56.400 -0.827 0.000 1.422 22 E CB -0.595 28.803 29.700 -0.503 0.000 0.997 22 E HN -0.178 7.844 8.360 -0.404 0.096 0.420 23 E N 0.176 119.869 120.200 -0.845 0.000 2.585 23 E HA -0.064 3.828 4.350 -0.763 0.000 0.206 23 E C -0.689 175.621 176.600 -0.483 0.000 1.007 23 E CA -1.776 54.213 56.400 -0.685 0.000 1.028 23 E CB -0.214 29.247 29.700 -0.399 0.000 1.087 23 E HN -0.286 7.703 8.360 -0.620 0.000 0.455 24 W N -2.966 118.289 121.300 -0.076 0.000 7.168 24 W HA -0.265 4.358 4.660 -0.062 0.000 0.415 24 W C -0.436 176.046 176.519 -0.063 0.000 1.614 24 W CA 0.101 57.410 57.345 -0.059 0.000 1.165 24 W CB -2.229 27.211 29.460 -0.033 0.000 2.824 24 W HN -0.185 7.027 8.180 -1.482 0.079 1.619 25 T N -2.083 112.497 114.554 0.043 0.000 4.099 25 T HA 0.130 4.506 4.350 0.043 0.000 0.216 25 T C -1.110 173.556 174.700 -0.057 0.000 0.945 25 T CA -0.054 62.049 62.100 0.004 0.000 1.581 25 T CB 0.418 69.274 68.868 -0.020 0.000 0.752 25 T HN -0.213 7.994 8.240 -0.050 0.003 0.623 26 R N 0.786 121.236 120.500 -0.082 0.000 2.929 26 R HA 0.382 4.662 4.340 -0.100 0.000 0.259 26 R C -0.611 175.584 176.300 -0.176 0.000 1.141 26 R CA -1.062 54.934 56.100 -0.174 0.000 0.991 26 R CB 0.039 30.130 30.300 -0.348 0.000 1.287 26 R HN -0.168 8.077 8.270 -0.042 0.000 0.450 27 H N -1.461 117.588 119.070 -0.034 0.000 2.172 27 H HA 0.014 4.552 4.556 -0.030 0.000 0.346 27 H C -0.004 175.289 175.328 -0.058 0.000 1.901 27 H CA -0.311 55.712 56.048 -0.043 0.000 1.403 27 H CB 0.059 29.787 29.762 -0.057 0.000 1.654 27 H HN -0.078 7.938 8.280 -0.440 0.000 0.548 28 G N -1.712 107.180 108.800 0.153 0.000 2.751 28 G HA2 -0.128 3.824 3.960 -0.014 0.000 0.142 28 G HA3 -0.128 3.845 3.960 0.021 0.000 0.142 28 G C -0.846 174.012 174.900 -0.071 0.000 1.783 28 G CA -0.385 44.730 45.100 0.026 0.000 1.018 28 G HN -0.046 8.374 8.290 0.215 0.000 0.474 29 S N -0.633 114.915 115.700 -0.254 0.000 3.884 29 S HA -0.212 3.467 4.470 -1.320 0.000 0.374 29 S C -0.021 173.796 174.600 -1.306 0.000 0.971 29 S CA 0.643 58.285 58.200 -0.930 0.000 1.152 29 S CB -1.509 61.450 63.200 -0.401 0.000 0.877 29 S HN 0.188 8.394 8.310 -0.173 0.000 0.491 30 F N -3.682 116.329 119.950 0.101 0.000 2.175 30 F HA -0.595 3.978 4.527 0.077 0.000 0.205 30 F C 1.299 177.174 175.800 0.125 0.000 1.360 30 F CA 1.774 59.833 58.000 0.098 0.000 2.020 30 F CB -1.556 37.508 39.000 0.107 0.000 0.476 30 F HN -0.095 8.053 8.300 -0.253 0.000 0.259 31 V N -5.804 114.324 119.914 0.356 0.000 0.434 31 V HA -0.548 3.718 4.120 0.243 0.000 0.092 31 V C 0.332 176.693 176.094 0.444 0.000 2.581 31 V CA 2.552 65.033 62.300 0.302 0.000 3.733 31 V CB -1.728 30.226 31.823 0.218 0.000 1.002 31 V HN 0.254 8.832 8.190 0.646 0.000 1.053 32 N N -0.021 118.920 118.700 0.402 0.000 2.258 32 N HA -0.186 4.746 4.740 0.321 0.000 0.187 32 N C -0.151 175.496 175.510 0.228 0.000 1.012 32 N CA 1.896 55.092 53.050 0.244 0.000 0.870 32 N CB 0.556 39.043 38.487 0.000 0.000 0.977 32 N HN -0.239 8.253 8.380 0.330 0.087 0.434 33 K N -3.021 117.518 120.400 0.232 0.000 2.395 33 K HA 0.440 4.843 4.320 0.138 0.000 0.247 33 K C -2.046 174.656 176.600 0.171 0.000 0.973 33 K CA -2.814 53.567 56.287 0.156 0.000 0.828 33 K CB -0.239 32.312 32.500 0.084 0.000 1.272 33 K HN -0.676 7.718 8.250 0.295 0.033 0.439 34 P HA -0.004 4.498 4.420 0.138 0.000 0.219 34 P C 0.122 177.443 177.300 0.035 0.000 1.154 34 P CA 1.266 64.423 63.100 0.095 0.000 0.826 34 P CB 0.076 31.813 31.700 0.063 0.000 0.795 35 T N -2.594 111.942 114.554 -0.030 0.000 2.700 35 T HA -0.172 4.124 4.350 -0.090 0.000 0.226 35 T C 0.624 175.114 174.700 -0.350 0.000 1.209 35 T CA 1.874 63.901 62.100 -0.123 0.000 1.755 35 T CB 0.219 69.026 68.868 -0.102 0.000 1.080 35 T HN -0.046 8.189 8.240 -0.008 0.000 0.380 36 R N -2.395 117.778 120.500 -0.545 0.000 1.621 36 R HA 0.038 2.602 4.340 -2.961 0.000 0.034 36 R C 0.416 176.306 176.300 -0.683 0.000 0.812 36 R CA 0.496 55.716 56.100 -1.467 0.000 3.357 36 R CB 0.294 29.917 30.300 -1.129 0.000 0.828 36 R HN 0.010 8.088 8.270 -0.320 0.000 0.567 37 G N 0.186 108.852 108.800 -0.223 0.000 5.045 37 G HA2 -0.452 3.657 3.960 0.009 0.000 0.229 37 G HA3 -0.452 3.517 3.960 0.015 0.000 0.229 37 G C -1.263 173.733 174.900 0.161 0.000 1.440 37 G CA 0.154 45.251 45.100 -0.005 0.000 0.936 37 G HN -0.076 8.089 8.290 -0.207 0.000 0.690 38 W N -1.403 119.854 121.300 -0.072 0.000 2.697 38 W HA -0.472 4.212 4.660 0.039 0.000 0.190 38 W C -0.361 176.150 176.519 -0.013 0.000 0.643 38 W CA 1.697 59.032 57.345 -0.017 0.000 0.589 38 W CB -0.706 28.724 29.460 -0.050 0.000 1.644 38 W HN -0.412 7.814 8.180 0.154 0.047 0.369 39 L N -0.669 120.696 121.223 0.237 0.000 2.444 39 L HA 0.002 4.334 4.340 -0.013 0.000 0.251 39 L C 1.748 178.664 176.870 0.077 0.000 1.247 39 L CA 0.250 55.117 54.840 0.045 0.000 0.825 39 L CB 0.412 42.442 42.059 -0.049 0.000 1.129 39 L HN 0.023 8.540 8.230 0.479 0.000 0.527 40 H N -2.627 116.524 119.070 0.136 0.000 2.470 40 H HA 0.052 4.672 4.556 0.107 0.000 0.289 40 H C -0.457 174.965 175.328 0.157 0.000 1.033 40 H CA 3.608 59.734 56.048 0.131 0.000 1.331 40 H CB -1.981 27.858 29.762 0.128 0.000 1.414 40 H HN 0.392 8.479 8.280 -0.322 0.000 0.545 41 P HA -0.105 4.603 4.420 0.480 0.000 0.216 41 P C 1.083 178.465 177.300 0.137 0.000 1.153 41 P CA 3.109 66.352 63.100 0.237 0.000 0.848 41 P CB -0.021 31.733 31.700 0.091 0.000 0.787 42 N N -3.755 115.000 118.700 0.091 0.000 2.220 42 N HA -0.269 4.474 4.740 0.005 0.000 0.182 42 N C 1.320 176.855 175.510 0.043 0.000 1.023 42 N CA 3.090 56.160 53.050 0.034 0.000 0.856 42 N CB 0.046 38.519 38.487 -0.023 0.000 0.997 42 N HN -0.236 8.204 8.380 0.100 0.000 0.429 43 D N 0.016 120.468 120.400 0.087 0.000 2.149 43 D HA -0.284 4.375 4.640 0.032 0.000 0.198 43 D C 2.420 178.750 176.300 0.051 0.000 0.990 43 D CA 3.119 57.158 54.000 0.065 0.000 0.839 43 D CB 0.145 41.002 40.800 0.094 0.000 0.948 43 D HN -0.467 7.980 8.370 0.129 0.000 0.460 44 K N -1.955 118.490 120.400 0.075 0.000 2.186 44 K HA -0.103 4.232 4.320 0.024 0.000 0.202 44 K C 2.467 179.078 176.600 0.019 0.000 1.052 44 K CA 2.211 58.522 56.287 0.041 0.000 0.965 44 K CB 0.036 32.563 32.500 0.046 0.000 0.746 44 K HN -0.559 7.746 8.250 0.116 0.015 0.457 45 V N 1.964 121.895 119.914 0.029 0.000 2.324 45 V HA -0.461 3.832 4.120 0.010 -0.167 0.250 45 V C 1.760 177.854 176.094 -0.001 0.000 1.060 45 V CA 4.140 66.448 62.300 0.013 0.000 1.042 45 V CB 0.048 31.881 31.823 0.016 0.000 0.650 45 V HN -0.424 7.711 8.190 0.052 0.087 0.450 46 M N -4.340 115.256 119.600 -0.007 0.000 2.288 46 M HA -0.180 4.291 4.480 -0.016 0.000 0.266 46 M C 1.129 177.423 176.300 -0.011 0.000 1.072 46 M CA 1.712 57.003 55.300 -0.015 0.000 1.132 46 M CB -0.260 32.324 32.600 -0.026 0.000 1.386 46 M HN -0.558 7.726 8.290 -0.003 0.004 0.432 47 G N -1.644 107.153 108.800 -0.005 0.000 2.711 47 G HA2 0.170 4.125 3.960 -0.008 0.000 0.186 47 G HA3 0.170 4.128 3.960 -0.003 0.000 0.186 47 G C -1.432 173.461 174.900 -0.013 0.000 1.635 47 G CA -0.314 44.782 45.100 -0.007 0.000 1.065 47 G HN -0.665 7.525 8.290 0.001 0.101 0.545 48 P HA -0.158 4.249 4.420 -0.022 0.000 0.222 48 P C -1.346 175.933 177.300 -0.034 0.000 1.153 48 P CA 0.687 63.772 63.100 -0.026 0.000 0.798 48 P CB 0.609 32.291 31.700 -0.030 0.000 0.796 49 G N -2.100 106.678 108.800 -0.037 0.000 3.101 49 G HA2 -0.249 3.877 3.960 -0.033 0.000 0.672 49 G HA3 -0.249 3.678 3.960 -0.054 0.000 0.672 49 G C -1.398 173.442 174.900 -0.099 0.000 1.331 49 G CA -0.674 44.395 45.100 -0.052 0.000 0.925 49 G HN -0.758 7.489 8.290 -0.029 0.025 0.596 50 V N -0.949 118.894 119.914 -0.119 0.000 3.625 50 V HA 0.028 4.020 4.120 -0.214 0.000 0.302 50 V C -0.479 175.346 176.094 -0.448 0.000 1.112 50 V CA -0.947 61.185 62.300 -0.281 0.000 1.173 50 V CB 0.371 32.013 31.823 -0.302 0.000 1.096 50 V HN -0.267 7.886 8.190 -0.062 0.000 0.486 51 S N -2.314 112.950 115.700 -0.726 0.000 2.333 51 S HA 0.121 4.393 4.470 -0.459 -0.078 0.208 51 S C -1.318 172.968 174.600 -0.523 0.000 0.911 51 S CA -0.824 57.060 58.200 -0.525 0.000 1.075 51 S CB 0.984 64.031 63.200 -0.255 0.000 1.293 51 S HN -0.341 7.419 8.310 -0.917 0.000 0.396 52 Y N 2.857 123.146 120.300 -0.018 0.000 2.564 52 Y HA 0.130 4.658 4.550 -0.037 0.000 0.347 52 Y C -1.076 174.820 175.900 -0.008 0.000 1.284 52 Y CA -1.180 56.910 58.100 -0.018 0.000 1.449 52 Y CB 1.354 39.816 38.460 0.003 0.000 1.606 52 Y HN -0.147 7.751 8.280 -0.636 0.000 0.594 53 L N -0.777 120.564 121.223 0.196 0.000 2.442 53 L HA 0.208 4.721 4.340 0.085 -0.122 0.261 53 L C -1.255 175.680 176.870 0.108 0.000 1.000 53 L CA -0.200 54.704 54.840 0.107 0.000 0.882 53 L CB 1.962 44.062 42.059 0.069 0.000 1.207 53 L HN -0.163 8.209 8.230 0.238 0.000 0.443 54 V N 3.327 123.309 119.914 0.114 0.000 2.448 54 V HA 0.654 4.994 4.120 0.097 -0.161 0.295 54 V C -1.769 174.397 176.094 0.120 0.000 1.025 54 V CA -2.903 59.465 62.300 0.114 0.000 0.859 54 V CB 4.162 36.065 31.823 0.133 0.000 0.988 54 V HN 0.285 8.542 8.190 0.112 0.000 0.431 55 R N 7.167 127.728 120.500 0.102 0.000 2.340 55 R HA 0.156 4.565 4.340 0.115 0.000 0.300 55 R C -1.817 174.583 176.300 0.168 0.000 1.069 55 R CA -1.189 54.977 56.100 0.109 0.000 0.984 55 R CB 1.320 31.655 30.300 0.059 0.000 1.003 55 R HN 0.053 8.371 8.270 0.080 0.000 0.459 56 Y N 5.139 125.461 120.300 0.038 0.000 2.326 56 Y HA -0.065 4.528 4.550 0.071 0.000 0.333 56 Y C -1.551 174.358 175.900 0.015 0.000 1.240 56 Y CA 0.154 58.279 58.100 0.042 0.000 1.365 56 Y CB 1.904 40.386 38.460 0.037 0.000 1.289 56 Y HN -0.243 8.084 8.280 0.266 0.113 0.548 57 M N 6.438 125.634 119.600 -0.673 0.000 2.952 57 M HA 0.130 4.536 4.480 -0.257 -0.080 0.259 57 M C -0.835 175.082 176.300 -0.639 0.000 1.306 57 M CA -0.925 54.096 55.300 -0.465 0.000 0.626 57 M CB 0.544 32.964 32.600 -0.300 0.000 1.423 57 M HN -0.113 7.468 8.290 -1.181 0.000 0.459 58 G N 1.738 110.140 108.800 -0.665 0.000 2.804 58 G HA2 -0.339 3.559 3.960 -0.103 0.000 0.230 58 G HA3 -0.339 3.584 3.960 -0.233 -0.103 0.230 58 G C -2.094 172.455 174.900 -0.584 0.000 1.386 58 G CA 0.232 45.101 45.100 -0.386 0.000 0.875 58 G HN -0.014 7.965 8.290 -0.519 0.000 0.557 59 C N -1.906 117.268 119.300 -0.210 0.000 2.535 59 C HA 0.515 4.829 4.460 -0.244 0.000 0.319 59 C C -0.907 174.050 174.990 -0.056 0.000 1.171 59 C CA -1.518 57.411 59.018 -0.149 0.000 1.394 59 C CB 3.605 31.314 27.740 -0.052 0.000 1.990 59 C HN -0.246 7.925 8.230 -0.098 0.000 0.466 60 V N 0.316 120.211 119.914 -0.032 0.000 2.472 60 V HA 0.580 4.874 4.120 -0.010 -0.180 0.290 60 V C -1.543 174.568 176.094 0.028 0.000 1.037 60 V CA -2.104 60.194 62.300 -0.004 0.000 0.908 60 V CB 1.393 33.212 31.823 -0.008 0.000 0.985 60 V HN 0.265 8.435 8.190 -0.033 0.000 0.454 61 E N 4.799 125.015 120.200 0.027 0.000 2.222 61 E HA 0.487 4.997 4.350 0.049 -0.132 0.272 61 E C -0.766 175.849 176.600 0.026 0.000 0.982 61 E CA -1.379 55.043 56.400 0.036 0.000 0.842 61 E CB 2.845 32.566 29.700 0.036 0.000 1.144 61 E HN -0.219 8.152 8.360 0.018 0.000 0.397 62 V N -0.627 119.302 119.914 0.026 0.000 3.166 62 V HA 0.255 4.375 4.120 0.014 0.009 0.317 62 V C -0.782 175.319 176.094 0.012 0.000 1.136 62 V CA -1.921 60.389 62.300 0.016 0.000 1.035 62 V CB 1.947 33.779 31.823 0.014 0.000 1.110 62 V HN 0.065 8.274 8.190 0.032 0.000 0.450 63 L N -0.631 120.596 121.223 0.006 0.000 3.483 63 L HA 0.237 4.581 4.340 0.007 0.000 0.327 63 L C -1.025 175.844 176.870 -0.002 0.000 1.318 63 L CA -0.307 54.535 54.840 0.004 0.000 0.979 63 L CB 0.548 42.610 42.059 0.005 0.000 1.404 63 L HN 0.106 8.267 8.230 0.004 0.071 0.615 64 Q N -1.612 118.183 119.800 -0.007 0.000 2.207 64 Q HA 0.152 4.485 4.340 -0.012 0.000 0.237 64 Q C -1.266 174.722 176.000 -0.020 0.000 0.998 64 Q CA -1.609 54.185 55.803 -0.015 0.000 0.951 64 Q CB 1.666 30.390 28.738 -0.023 0.000 1.213 64 Q HN -0.681 7.586 8.270 -0.006 0.000 0.499 65 S N -0.667 115.018 115.700 -0.026 0.000 2.650 65 S HA -0.037 4.422 4.470 -0.019 0.000 0.251 65 S C -0.353 174.220 174.600 -0.044 0.000 1.325 65 S CA 0.306 58.489 58.200 -0.029 0.000 0.967 65 S CB 0.726 63.908 63.200 -0.030 0.000 1.000 65 S HN 0.228 8.522 8.310 -0.026 0.000 0.584 66 M N -0.364 119.210 119.600 -0.044 0.000 2.745 66 M HA 0.198 4.625 4.480 -0.089 0.000 0.290 66 M C -0.918 175.340 176.300 -0.072 0.000 1.262 66 M CA -0.494 54.771 55.300 -0.059 0.000 0.795 66 M CB 1.500 34.090 32.600 -0.018 0.000 1.758 66 M HN -0.212 8.058 8.290 -0.033 0.000 0.461 67 R N -2.212 118.238 120.500 -0.082 0.000 3.205 67 R HA -0.402 3.916 4.340 -0.037 0.000 0.249 67 R C -1.749 174.491 176.300 -0.100 0.000 0.937 67 R CA 0.636 56.700 56.100 -0.060 0.000 0.641 67 R CB -2.299 27.994 30.300 -0.011 0.000 1.114 67 R HN 0.308 8.530 8.270 -0.080 0.000 0.451 68 A N -1.337 121.355 122.820 -0.213 0.000 2.539 68 A HA 0.346 4.610 4.320 -0.094 0.000 0.296 68 A C -1.820 175.603 177.584 -0.270 0.000 1.073 68 A CA -0.822 51.109 52.037 -0.177 0.000 0.700 68 A CB 2.282 21.193 19.000 -0.148 0.000 1.296 68 A HN -0.247 7.689 8.150 -0.356 0.000 0.405 69 L N 0.052 121.205 121.223 -0.116 0.000 2.919 69 L HA 0.235 4.501 4.340 -0.124 0.000 0.169 69 L C -1.507 175.345 176.870 -0.030 0.000 1.228 69 L CA 0.435 55.244 54.840 -0.051 0.000 0.862 69 L CB 0.752 42.860 42.059 0.081 0.000 1.313 69 L HN 0.327 8.522 8.230 -0.057 0.000 0.526 70 D N -2.491 117.926 120.400 0.027 0.000 5.070 70 D HA -0.225 4.470 4.640 0.091 0.000 0.239 70 D C 0.440 176.785 176.300 0.075 0.000 1.194 70 D CA 0.721 54.755 54.000 0.057 0.000 1.284 70 D CB -0.709 40.099 40.800 0.014 0.000 0.729 70 D HN -0.151 8.247 8.370 0.048 0.000 0.365 71 F N 3.759 123.729 119.950 0.033 0.000 2.325 71 F HA -0.236 4.323 4.527 0.053 0.000 0.299 71 F C 0.205 176.024 175.800 0.031 0.000 1.090 71 F CA 2.920 60.944 58.000 0.039 0.000 1.392 71 F CB 0.587 39.606 39.000 0.032 0.000 1.053 71 F HN 0.370 8.850 8.300 0.300 0.000 0.521 72 N N -2.752 116.079 118.700 0.218 0.000 2.482 72 N HA 0.176 5.012 4.740 0.161 0.000 0.179 72 N C 0.989 176.541 175.510 0.070 0.000 1.039 72 N CA 1.994 55.127 53.050 0.139 0.000 0.884 72 N CB -0.315 38.239 38.487 0.112 0.000 1.113 72 N HN -0.097 8.380 8.380 0.201 0.023 0.440 73 T N 2.099 116.684 114.554 0.052 0.000 2.915 73 T HA -0.091 4.473 4.350 0.023 -0.200 0.269 73 T C 1.709 176.411 174.700 0.004 0.000 1.071 73 T CA 3.160 65.273 62.100 0.022 0.000 1.132 73 T CB -0.418 68.456 68.868 0.010 0.000 0.878 73 T HN 0.057 8.336 8.240 0.066 0.000 0.479 74 R N 0.504 121.000 120.500 -0.007 0.000 2.119 74 R HA -0.190 4.138 4.340 -0.020 0.000 0.222 74 R C 1.407 177.702 176.300 -0.009 0.000 1.088 74 R CA 3.706 59.794 56.100 -0.021 0.000 0.984 74 R CB -0.107 30.166 30.300 -0.045 0.000 0.884 74 R HN -0.572 7.676 8.270 0.000 0.022 0.447 75 T N -3.011 111.539 114.554 -0.007 0.000 3.014 75 T HA -0.133 4.217 4.350 -0.000 0.000 0.263 75 T C 1.942 176.655 174.700 0.023 0.000 1.078 75 T CA 3.090 65.194 62.100 0.008 0.000 1.135 75 T CB -0.695 68.189 68.868 0.028 0.000 0.895 75 T HN -0.297 7.853 8.240 -0.001 0.089 0.480 76 Q N 1.858 121.673 119.800 0.025 0.000 2.062 76 Q HA -0.164 4.191 4.340 0.026 0.000 0.196 76 Q C 2.307 178.318 176.000 0.019 0.000 0.967 76 Q CA 3.194 59.011 55.803 0.024 0.000 0.832 76 Q CB 0.108 28.860 28.738 0.024 0.000 0.899 76 Q HN -0.428 7.835 8.270 0.025 0.022 0.442 77 V N -0.618 119.305 119.914 0.015 0.000 2.488 77 V HA -0.243 3.885 4.120 0.013 0.000 0.246 77 V C 1.452 177.558 176.094 0.021 0.000 1.046 77 V CA 3.249 65.557 62.300 0.014 0.000 1.053 77 V CB -0.206 31.620 31.823 0.005 0.000 0.679 77 V HN -0.374 7.823 8.190 0.012 0.000 0.458 78 T N 1.359 115.928 114.554 0.026 0.000 2.777 78 T HA -0.274 4.104 4.350 0.046 0.000 0.266 78 T C 1.403 176.128 174.700 0.041 0.000 1.040 78 T CA 5.071 67.195 62.100 0.041 0.000 1.141 78 T CB -0.318 68.580 68.868 0.049 0.000 0.868 78 T HN -0.389 7.864 8.240 0.021 0.000 0.444 79 R N -0.384 120.136 120.500 0.034 0.000 2.148 79 R HA -0.189 4.178 4.340 0.047 0.000 0.223 79 R C 1.750 178.070 176.300 0.033 0.000 1.088 79 R CA 2.822 58.944 56.100 0.037 0.000 0.985 79 R CB -0.528 29.791 30.300 0.031 0.000 0.880 79 R HN -0.488 7.692 8.270 0.029 0.107 0.451 80 E N 1.062 121.278 120.200 0.027 0.000 2.006 80 E HA -0.334 4.029 4.350 0.021 0.000 0.192 80 E C 1.603 178.215 176.600 0.020 0.000 0.993 80 E CA 2.605 59.018 56.400 0.021 0.000 0.808 80 E CB -0.551 29.159 29.700 0.017 0.000 0.764 80 E HN -0.468 7.794 8.360 0.026 0.113 0.449 81 A N -0.348 122.483 122.820 0.019 0.000 1.858 81 A HA -0.238 4.087 4.320 0.008 0.000 0.216 81 A C 2.290 179.884 177.584 0.016 0.000 1.190 81 A CA 2.993 55.038 52.037 0.014 0.000 0.617 81 A CB -0.442 18.567 19.000 0.015 0.000 0.827 81 A HN -0.574 7.589 8.150 0.021 0.000 0.443 82 I N -2.949 117.640 120.570 0.031 0.000 2.502 82 I HA -0.524 3.664 4.170 0.030 0.000 0.258 82 I C 1.831 177.974 176.117 0.042 0.000 1.172 82 I CA 3.549 64.876 61.300 0.045 0.000 1.430 82 I CB -0.284 37.764 38.000 0.082 0.000 1.086 82 I HN -0.315 7.917 8.210 0.037 0.000 0.440 83 S N -0.191 115.530 115.700 0.036 0.000 2.377 83 S HA -0.246 4.251 4.470 0.045 0.000 0.223 83 S C 1.737 176.346 174.600 0.015 0.000 1.030 83 S CA 3.563 61.783 58.200 0.032 0.000 0.970 83 S CB -0.059 63.158 63.200 0.028 0.000 0.830 83 S HN -0.311 7.855 8.310 0.033 0.164 0.473 84 L N 0.843 122.070 121.223 0.007 0.000 2.275 84 L HA -0.222 4.116 4.340 -0.003 0.000 0.215 84 L C 1.192 178.052 176.870 -0.016 0.000 1.119 84 L CA 2.678 57.516 54.840 -0.004 0.000 0.790 84 L CB -0.096 41.960 42.059 -0.006 0.000 0.919 84 L HN -0.631 7.519 8.230 0.010 0.086 0.443 85 V N -0.659 119.242 119.914 -0.021 0.000 2.300 85 V HA -0.311 3.778 4.120 -0.052 0.000 0.241 85 V C 1.890 177.954 176.094 -0.049 0.000 1.034 85 V CA 2.816 65.089 62.300 -0.046 0.000 1.021 85 V CB -0.772 31.014 31.823 -0.063 0.000 0.662 85 V HN -0.333 7.717 8.190 -0.010 0.134 0.458 86 C N -1.723 117.555 119.300 -0.037 0.000 2.422 86 C HA -0.353 4.058 4.460 -0.081 0.000 0.286 86 C C 1.449 176.427 174.990 -0.021 0.000 1.412 86 C CA 4.380 63.373 59.018 -0.041 0.000 1.786 86 C CB -0.956 26.785 27.740 0.001 0.000 1.835 86 C HN -0.442 7.777 8.230 -0.018 0.000 0.533 87 E N -0.900 119.293 120.200 -0.011 0.000 2.110 87 E HA 0.088 4.710 4.350 -0.004 -0.274 0.194 87 E C 0.912 177.504 176.600 -0.015 0.000 0.944 87 E CA 1.413 57.809 56.400 -0.006 0.000 0.899 87 E CB 0.206 29.908 29.700 0.002 0.000 0.907 87 E HN -0.553 7.755 8.360 -0.010 0.047 0.473 88 A N -0.671 122.139 122.820 -0.016 0.000 1.892 88 A HA -0.158 4.153 4.320 -0.016 0.000 0.218 88 A C 0.655 178.223 177.584 -0.028 0.000 1.188 88 A CA 2.227 54.252 52.037 -0.020 0.000 0.631 88 A CB 0.423 19.410 19.000 -0.022 0.000 0.822 88 A HN -0.277 7.775 8.150 -0.014 0.090 0.447 89 V N -1.315 118.577 119.914 -0.037 0.000 2.266 89 V HA 0.425 4.522 4.120 -0.039 0.000 0.271 89 V C -2.754 173.311 176.094 -0.049 0.000 1.032 89 V CA -4.135 58.138 62.300 -0.044 0.000 0.806 89 V CB 1.643 33.432 31.823 -0.057 0.000 1.052 89 V HN -0.615 7.550 8.190 -0.038 0.002 0.449 90 P HA -0.032 4.366 4.420 -0.037 0.000 0.269 90 P C -0.145 177.124 177.300 -0.053 0.000 1.200 90 P CA 0.502 63.578 63.100 -0.039 0.000 0.779 90 P CB 0.403 32.087 31.700 -0.026 0.000 0.841 91 G N -0.388 108.374 108.800 -0.063 0.000 3.465 91 G HA2 -0.098 3.828 3.960 -0.057 0.000 0.219 91 G HA3 -0.098 3.809 3.960 -0.088 0.000 0.219 91 G C -1.526 173.301 174.900 -0.121 0.000 0.984 91 G CA -0.353 44.699 45.100 -0.080 0.000 0.864 91 G HN 0.363 8.620 8.290 -0.056 0.000 0.485 92 A N -0.618 122.110 122.820 -0.153 0.000 2.311 92 A HA -0.027 4.426 4.320 -0.396 -0.371 0.272 92 A C -0.107 177.414 177.584 -0.104 0.000 1.438 92 A CA -0.392 51.496 52.037 -0.249 0.000 0.819 92 A CB 1.142 19.987 19.000 -0.257 0.000 1.336 92 A HN -0.167 7.909 8.150 -0.122 0.000 0.528 93 K N 0.458 120.846 120.400 -0.021 0.000 2.752 93 K HA 0.075 4.413 4.320 0.030 0.000 0.199 93 K C -0.354 176.320 176.600 0.124 0.000 1.069 93 K CA 0.025 56.351 56.287 0.064 0.000 1.033 93 K CB 0.122 32.675 32.500 0.088 0.000 1.229 93 K HN 0.047 8.289 8.250 -0.014 0.000 0.572 94 G N 3.056 111.908 108.800 0.087 0.000 2.338 94 G HA2 -0.181 3.813 3.960 0.057 0.000 0.115 94 G HA3 -0.181 3.837 3.960 0.096 0.000 0.115 94 G C -1.684 173.269 174.900 0.089 0.000 1.053 94 G CA 0.381 45.532 45.100 0.084 0.000 0.733 94 G HN 0.629 8.952 8.290 0.055 0.000 0.482 95 A N -2.035 120.826 122.820 0.068 0.000 2.331 95 A HA 0.098 4.448 4.320 0.050 0.000 0.222 95 A C -1.338 176.265 177.584 0.032 0.000 2.613 95 A CA 0.105 52.178 52.037 0.060 0.000 1.791 95 A CB 0.264 19.325 19.000 0.101 0.000 0.519 95 A HN -0.355 7.825 8.150 0.050 0.000 0.763 96 T N -0.737 113.829 114.554 0.019 0.000 2.852 96 T HA 0.164 4.735 4.350 -0.003 -0.222 0.256 96 T C 0.107 174.810 174.700 0.005 0.000 1.038 96 T CA 1.126 63.228 62.100 0.005 0.000 1.141 96 T CB 0.881 69.750 68.868 0.001 0.000 0.869 96 T HN -0.196 8.058 8.240 0.023 0.000 0.439 97 R N -0.230 120.275 120.500 0.009 0.000 2.678 97 R HA 0.136 4.603 4.340 0.008 -0.122 0.267 97 R C -1.542 174.763 176.300 0.010 0.000 1.173 97 R CA 0.436 56.541 56.100 0.008 0.000 1.061 97 R CB 1.396 31.698 30.300 0.003 0.000 1.262 97 R HN -0.506 7.772 8.270 0.012 0.000 0.427 98 R N 5.185 125.691 120.500 0.011 0.000 2.442 98 R HA -0.001 4.344 4.340 0.009 0.000 0.312 98 R C -1.798 174.509 176.300 0.010 0.000 0.869 98 R CA 0.395 56.502 56.100 0.011 0.000 1.043 98 R CB 0.594 30.902 30.300 0.014 0.000 1.433 98 R HN 0.588 8.864 8.270 0.011 0.000 0.634 99 R N -0.793 119.712 120.500 0.009 0.000 2.532 99 R HA -0.262 4.082 4.340 0.007 0.000 0.317 99 R C -0.728 175.578 176.300 0.010 0.000 1.026 99 R CA 0.910 57.015 56.100 0.008 0.000 0.846 99 R CB -1.372 28.932 30.300 0.007 0.000 2.375 99 R HN -0.006 8.268 8.270 0.008 0.000 0.497 100 K N 2.749 123.156 120.400 0.011 0.000 3.084 100 K HA 0.437 4.764 4.320 0.013 0.000 0.172 100 K C -0.741 175.866 176.600 0.012 0.000 1.078 100 K CA -2.380 53.915 56.287 0.013 0.000 0.875 100 K CB 0.708 33.218 32.500 0.016 0.000 1.064 100 K HN 0.229 8.485 8.250 0.010 0.000 0.597 101 P HA -0.075 4.350 4.420 0.008 0.000 0.203 101 P C -0.658 176.648 177.300 0.010 0.000 1.211 101 P CA 0.442 63.547 63.100 0.009 0.000 0.913 101 P CB 0.315 32.020 31.700 0.007 0.000 0.745 102 C N -3.252 116.054 119.300 0.010 0.000 0.168 102 C HA -0.288 4.178 4.460 0.011 0.000 0.017 102 C C 0.385 175.381 174.990 0.011 0.000 0.171 102 C CA -0.414 58.611 59.018 0.011 0.000 0.499 102 C CB -0.031 27.717 27.740 0.013 0.000 3.212 102 C HN -0.171 8.064 8.230 0.009 0.000 1.118 103 S N 1.069 116.775 115.700 0.011 0.000 2.536 103 S HA -0.132 4.343 4.470 0.009 0.000 0.248 103 S C -0.863 173.744 174.600 0.011 0.000 1.287 103 S CA 0.888 59.094 58.200 0.010 0.000 0.978 103 S CB 0.529 63.735 63.200 0.011 0.000 0.992 103 S HN 0.290 8.607 8.310 0.011 0.000 0.539 104 R N -1.363 119.144 120.500 0.011 0.000 2.857 104 R HA 0.191 4.539 4.340 0.014 0.000 0.216 104 R C -2.873 173.434 176.300 0.012 0.000 1.555 104 R CA -2.732 53.375 56.100 0.012 0.000 1.408 104 R CB -1.876 28.430 30.300 0.010 0.000 1.553 104 R HN 0.114 8.390 8.270 0.011 0.000 0.708 105 P HA -0.158 4.269 4.420 0.012 0.000 0.243 105 P C -2.011 175.296 177.300 0.012 0.000 1.134 105 P CA 0.691 63.800 63.100 0.014 0.000 1.109 105 P CB -1.140 30.571 31.700 0.018 0.000 1.140 106 L N 1.536 122.764 121.223 0.010 0.000 2.787 106 L HA 0.126 4.470 4.340 0.007 0.000 0.260 106 L C -1.164 175.709 176.870 0.005 0.000 0.921 106 L CA 0.815 55.659 54.840 0.007 0.000 0.984 106 L CB 3.102 45.166 42.059 0.007 0.000 1.519 106 L HN -0.407 7.829 8.230 0.009 0.000 0.452 107 S N 2.207 117.910 115.700 0.004 0.000 2.694 107 S HA 0.205 4.677 4.470 0.003 0.000 0.225 107 S C 0.075 174.676 174.600 0.002 0.000 1.012 107 S CA 1.426 59.628 58.200 0.003 0.000 0.896 107 S CB 0.590 63.791 63.200 0.003 0.000 0.838 107 S HN 0.320 8.632 8.310 0.004 0.000 0.604 108 S N 0.789 116.489 115.700 0.000 0.000 2.112 108 S HA 0.256 4.726 4.470 -0.000 0.000 0.151 108 S C -2.032 172.566 174.600 -0.003 0.000 1.723 108 S CA 0.286 58.485 58.200 -0.001 0.000 1.263 108 S CB 0.189 63.388 63.200 -0.002 0.000 1.194 108 S HN -0.119 8.191 8.310 -0.000 0.000 0.419 109 I N -1.080 119.489 120.570 -0.003 0.000 2.700 109 I HA 0.215 4.380 4.170 -0.009 0.000 0.272 109 I C -2.272 173.843 176.117 -0.003 0.000 1.293 109 I CA -0.201 61.095 61.300 -0.006 0.000 0.989 109 I CB 0.278 38.272 38.000 -0.010 0.000 1.301 109 I HN -0.418 7.792 8.210 -0.001 0.000 0.525 110 L N -0.341 120.882 121.223 -0.001 0.000 3.075 110 L HA 0.133 4.476 4.340 0.004 0.000 0.310 110 L C -1.216 175.657 176.870 0.005 0.000 0.853 110 L CA 0.043 54.885 54.840 0.003 0.000 1.081 110 L CB 2.378 44.440 42.059 0.004 0.000 1.683 110 L HN -0.766 7.463 8.230 -0.001 0.000 0.354 111 G N -1.863 106.941 108.800 0.006 0.000 3.410 111 G HA2 0.206 4.170 3.960 0.006 0.000 0.127 111 G HA3 0.206 4.351 3.960 0.010 -0.179 0.127 111 G C -1.265 173.639 174.900 0.005 0.000 1.332 111 G CA 0.311 45.416 45.100 0.007 0.000 1.156 111 G HN 0.017 8.311 8.290 0.007 0.000 0.591 112 R N -1.890 118.613 120.500 0.005 0.000 3.329 112 R HA 0.100 4.439 4.340 -0.001 0.000 0.251 112 R C -2.546 173.752 176.300 -0.003 0.000 1.023 112 R CA -0.586 55.514 56.100 0.000 0.000 1.009 112 R CB 1.461 31.761 30.300 -0.000 0.000 1.250 112 R HN -0.024 8.250 8.270 0.008 0.000 0.518 113 S N 2.495 118.189 115.700 -0.011 0.000 2.499 113 S HA 0.043 4.500 4.470 -0.022 0.000 0.275 113 S C -1.090 173.493 174.600 -0.028 0.000 1.257 113 S CA -0.341 57.845 58.200 -0.023 0.000 1.050 113 S CB 0.643 63.825 63.200 -0.030 0.000 0.937 113 S HN 0.381 8.684 8.310 -0.011 0.000 0.490 114 N N 5.818 124.500 118.700 -0.031 0.000 2.500 114 N HA 0.107 4.832 4.740 -0.024 0.000 0.236 114 N C -1.525 173.957 175.510 -0.047 0.000 1.022 114 N CA -0.803 52.230 53.050 -0.027 0.000 0.935 114 N CB 0.335 38.820 38.487 -0.003 0.000 1.147 114 N HN -0.004 8.258 8.380 -0.034 0.098 0.512 115 L N 5.365 126.556 121.223 -0.054 0.000 2.990 115 L HA 0.285 4.576 4.340 -0.081 0.000 0.231 115 L C 0.087 176.911 176.870 -0.076 0.000 1.341 115 L CA -2.370 52.429 54.840 -0.068 0.000 1.208 115 L CB -2.926 39.093 42.059 -0.067 0.000 1.571 115 L HN 0.471 8.673 8.230 -0.048 0.000 0.453 116 K N 1.072 121.435 120.400 -0.061 0.000 2.228 116 K HA -0.104 4.107 4.320 -0.181 0.000 0.202 116 K C 0.192 176.623 176.600 -0.282 0.000 1.051 116 K CA 1.947 58.147 56.287 -0.145 0.000 0.960 116 K CB 0.474 32.932 32.500 -0.071 0.000 0.743 116 K HN -0.666 7.492 8.250 -0.026 0.076 0.458 117 F N -1.011 118.929 119.950 -0.016 0.000 2.769 117 F HA 0.103 4.633 4.527 0.004 0.000 0.358 117 F C -1.970 173.804 175.800 -0.043 0.000 1.285 117 F CA -1.049 56.952 58.000 0.002 0.000 1.199 117 F CB 1.309 40.347 39.000 0.063 0.000 1.558 117 F HN -0.134 8.201 8.300 0.095 0.022 0.583 118 A N 2.383 125.259 122.820 0.093 0.000 2.343 118 A HA 0.062 4.349 4.320 -0.055 0.000 0.305 118 A C -0.167 177.447 177.584 0.050 0.000 1.308 118 A CA 0.090 52.132 52.037 0.008 0.000 0.949 118 A CB -0.373 18.605 19.000 -0.037 0.000 1.148 118 A HN -0.053 8.116 8.150 0.032 0.000 0.545 119 G N 5.947 114.771 108.800 0.040 0.000 2.788 119 G HA2 -0.328 3.676 3.960 0.027 0.000 0.301 119 G HA3 -0.328 3.662 3.960 0.049 0.000 0.301 119 G C -2.048 172.912 174.900 0.100 0.000 1.000 119 G CA -0.264 44.869 45.100 0.055 0.000 1.267 119 G HN -0.084 8.205 8.290 -0.002 0.000 0.578 120 M N 3.663 123.325 119.600 0.103 0.000 1.962 120 M HA 0.492 5.224 4.480 0.046 -0.225 0.227 120 M C -2.240 174.105 176.300 0.076 0.000 0.890 120 M CA -2.525 52.820 55.300 0.075 0.000 0.843 120 M CB 2.610 35.242 32.600 0.053 0.000 1.894 120 M HN -0.296 8.126 8.290 0.109 -0.067 0.359 121 P HA -0.082 4.377 4.420 0.064 0.000 0.257 121 P C -1.685 175.638 177.300 0.038 0.000 1.162 121 P CA 0.983 64.112 63.100 0.049 0.000 0.762 121 P CB -0.687 31.032 31.700 0.031 0.000 0.753 122 I N -1.640 118.961 120.570 0.053 0.000 2.656 122 I HA 0.478 4.791 4.170 0.006 -0.140 0.292 122 I C -1.502 174.636 176.117 0.035 0.000 1.144 122 I CA -2.019 59.299 61.300 0.030 0.000 1.038 122 I CB 4.358 42.376 38.000 0.030 0.000 1.244 122 I HN 0.033 8.288 8.210 0.075 0.000 0.420 123 T N 6.681 121.240 114.554 0.009 0.000 2.779 123 T HA 0.150 4.696 4.350 0.024 -0.182 0.296 123 T C -1.043 173.655 174.700 -0.003 0.000 0.938 123 T CA 0.944 63.045 62.100 0.001 0.000 1.119 123 T CB 0.417 69.267 68.868 -0.031 0.000 0.891 123 T HN 0.075 8.221 8.240 -0.007 0.090 0.526 124 L N 9.028 130.269 121.223 0.030 0.000 2.375 124 L HA 0.191 4.537 4.340 0.009 0.000 0.276 124 L C -1.350 175.478 176.870 -0.070 0.000 1.162 124 L CA -0.375 54.484 54.840 0.031 0.000 0.991 124 L CB 0.312 42.462 42.059 0.152 0.000 1.315 124 L HN 0.032 8.204 8.230 0.074 0.102 0.431 125 T N 10.224 124.723 114.554 -0.091 0.000 2.771 125 T HA 0.254 4.562 4.350 -0.245 -0.105 0.291 125 T C -1.475 173.174 174.700 -0.085 0.000 0.954 125 T CA -0.636 61.379 62.100 -0.141 0.000 1.045 125 T CB 0.397 69.198 68.868 -0.111 0.000 0.917 125 T HN 0.203 8.407 8.240 -0.060 0.000 0.484 126 V N 7.667 127.525 119.914 -0.093 0.000 2.378 126 V HA 0.206 4.327 4.120 0.001 0.000 0.288 126 V C -1.691 174.393 176.094 -0.016 0.000 1.016 126 V CA -2.001 60.289 62.300 -0.016 0.000 0.840 126 V CB 0.126 31.973 31.823 0.039 0.000 0.994 126 V HN -0.142 7.835 8.190 -0.172 0.109 0.431 127 S N 4.666 120.364 115.700 -0.003 0.000 2.759 127 S HA 0.335 4.799 4.470 -0.010 0.000 0.310 127 S C -0.683 173.924 174.600 0.012 0.000 1.123 127 S CA -2.128 56.069 58.200 -0.004 0.000 0.959 127 S CB 2.163 65.357 63.200 -0.011 0.000 1.172 127 S HN 0.005 8.204 8.310 0.007 0.116 0.539 128 T N 2.622 117.179 114.554 0.006 0.000 2.933 128 T HA -0.120 4.240 4.350 0.016 0.000 0.263 128 T C -0.572 174.136 174.700 0.013 0.000 0.925 128 T CA 1.055 63.161 62.100 0.010 0.000 1.156 128 T CB -1.642 67.227 68.868 0.000 0.000 0.916 128 T HN 0.070 8.309 8.240 -0.000 0.000 0.601 129 S N 2.740 118.454 115.700 0.023 0.000 3.787 129 S HA -0.347 4.268 4.470 0.005 -0.142 0.321 129 S C -1.932 172.671 174.600 0.005 0.000 1.119 129 S CA 1.516 59.720 58.200 0.006 0.000 0.918 129 S CB -1.082 62.115 63.200 -0.006 0.000 0.913 129 S HN 0.035 8.368 8.310 0.039 0.000 0.506 130 S N -1.365 114.348 115.700 0.023 0.000 2.564 130 S HA 0.173 4.673 4.470 0.050 0.000 0.141 130 S C -1.624 172.996 174.600 0.035 0.000 1.474 130 S CA -0.488 57.732 58.200 0.034 0.000 1.236 130 S CB 0.778 63.992 63.200 0.024 0.000 1.481 130 S HN -0.336 7.919 8.310 0.030 0.073 0.397 131 L N 5.907 127.164 121.223 0.056 0.000 2.448 131 L HA 0.005 4.507 4.340 0.029 -0.145 0.278 131 L C -1.375 175.532 176.870 0.062 0.000 1.201 131 L CA -0.343 54.529 54.840 0.053 0.000 1.036 131 L CB -0.505 41.597 42.059 0.071 0.000 1.325 131 L HN -0.495 7.771 8.230 0.061 0.000 0.441 132 N N 3.940 122.647 118.700 0.012 0.000 2.426 132 N HA 0.201 5.061 4.740 0.012 -0.113 0.275 132 N C -1.500 173.999 175.510 -0.018 0.000 1.019 132 N CA -1.671 51.371 53.050 -0.014 0.000 0.941 132 N CB 1.369 39.812 38.487 -0.073 0.000 1.123 132 N HN -0.226 8.132 8.380 -0.008 0.018 0.486 133 L N 4.211 125.435 121.223 0.002 0.000 2.297 133 L HA 0.538 5.062 4.340 -0.016 -0.193 0.277 133 L C -0.625 176.229 176.870 -0.028 0.000 1.040 133 L CA -1.375 53.462 54.840 -0.006 0.000 0.867 133 L CB -0.311 41.761 42.059 0.021 0.000 1.244 133 L HN -0.235 8.013 8.230 0.028 0.000 0.433 134 M N 3.128 122.703 119.600 -0.041 0.000 2.243 134 M HA -0.288 4.155 4.480 -0.061 0.000 0.309 134 M C -1.004 175.272 176.300 -0.040 0.000 1.050 134 M CA 1.569 56.839 55.300 -0.049 0.000 1.139 134 M CB 1.124 33.694 32.600 -0.050 0.000 1.457 134 M HN -0.219 8.044 8.290 -0.045 0.000 0.440 135 A N 0.722 123.513 122.820 -0.049 0.000 2.273 135 A HA 0.358 4.651 4.320 -0.045 0.000 0.320 135 A C -1.491 176.069 177.584 -0.041 0.000 1.358 135 A CA -1.132 50.874 52.037 -0.051 0.000 0.910 135 A CB 0.914 19.870 19.000 -0.072 0.000 1.159 135 A HN 0.092 8.131 8.150 -0.054 0.079 0.526 136 A N 3.136 125.939 122.820 -0.027 0.000 2.411 136 A HA 0.042 4.349 4.320 -0.022 0.000 0.251 136 A C -1.011 176.562 177.584 -0.018 0.000 1.317 136 A CA 0.204 52.230 52.037 -0.018 0.000 0.904 136 A CB -0.629 18.367 19.000 -0.006 0.000 0.993 136 A HN 0.414 8.552 8.150 -0.020 0.000 0.504 137 D N -1.241 119.138 120.400 -0.034 0.000 2.805 137 D HA -0.000 4.632 4.640 -0.013 0.000 0.271 137 D C 0.118 176.400 176.300 -0.031 0.000 1.166 137 D CA 1.532 55.512 54.000 -0.033 0.000 1.004 137 D CB 0.854 41.612 40.800 -0.071 0.000 1.136 137 D HN 0.154 8.397 8.370 -0.048 0.098 0.444 138 C N 0.416 119.686 119.300 -0.050 0.000 2.470 138 C HA 0.189 4.640 4.460 -0.014 0.000 0.311 138 C C -1.397 173.574 174.990 -0.031 0.000 1.387 138 C CA -0.869 58.130 59.018 -0.032 0.000 1.783 138 C CB 0.218 27.936 27.740 -0.035 0.000 2.416 138 C HN -0.154 8.029 8.230 -0.078 0.000 0.558 139 K N -0.862 119.519 120.400 -0.031 0.000 4.387 139 K HA -0.355 3.946 4.320 -0.030 0.000 0.290 139 K C -1.362 175.215 176.600 -0.038 0.000 0.936 139 K CA 1.240 57.508 56.287 -0.030 0.000 0.890 139 K CB -2.727 29.760 32.500 -0.022 0.000 1.617 139 K HN -0.006 8.144 8.250 -0.031 0.081 0.437 140 Q N -0.891 118.880 119.800 -0.048 0.000 3.110 140 Q HA 0.224 4.534 4.340 -0.049 0.000 0.360 140 Q C -2.180 173.783 176.000 -0.062 0.000 0.820 140 Q CA -1.633 54.137 55.803 -0.055 0.000 0.845 140 Q CB 4.904 33.603 28.738 -0.064 0.000 1.357 140 Q HN -0.209 8.031 8.270 -0.050 0.000 0.480 141 I N -0.545 119.983 120.570 -0.071 0.000 2.608 141 I HA 0.105 4.323 4.170 -0.072 -0.091 0.280 141 I C -1.546 174.519 176.117 -0.086 0.000 1.186 141 I CA -0.098 61.153 61.300 -0.081 0.000 1.081 141 I CB 2.152 40.093 38.000 -0.097 0.000 1.272 141 I HN 0.184 8.351 8.210 -0.071 0.000 0.460 142 I N 7.701 128.230 120.570 -0.067 0.000 2.577 142 I HA -0.186 3.953 4.170 -0.051 0.000 0.299 142 I C -1.086 174.999 176.117 -0.052 0.000 1.157 142 I CA 0.244 61.517 61.300 -0.044 0.000 1.418 142 I CB -2.020 35.969 38.000 -0.020 0.000 1.467 142 I HN 0.124 8.297 8.210 -0.061 0.000 0.624 143 A N 5.850 128.586 122.820 -0.141 0.000 2.379 143 A HA -0.395 3.742 4.320 -0.305 0.000 0.665 143 A C -1.101 176.310 177.584 -0.288 0.000 0.178 143 A CA 0.505 52.374 52.037 -0.281 0.000 0.125 143 A CB 0.188 18.870 19.000 -0.530 0.000 3.856 143 A HN -0.012 8.061 8.150 -0.128 0.000 0.531 144 N N 1.440 119.821 118.700 -0.532 0.000 2.336 144 N HA -0.183 4.375 4.740 -0.304 0.000 0.189 144 N C -1.331 173.857 175.510 -0.536 0.000 1.113 144 N CA 0.839 53.561 53.050 -0.546 0.000 0.858 144 N CB -0.015 38.108 38.487 -0.607 0.000 0.970 144 N HN 0.356 8.327 8.380 -0.681 0.000 0.471 145 H N -8.042 110.968 119.070 -0.100 0.000 3.229 145 H HA 0.208 4.945 4.556 -0.045 -0.209 0.211 145 H C -1.453 173.836 175.328 -0.064 0.000 1.364 145 H CA -1.965 54.039 56.048 -0.073 0.000 1.270 145 H CB -1.502 28.213 29.762 -0.079 0.000 2.309 145 H HN -0.716 7.248 8.280 -0.424 0.063 0.520 146 H N 4.262 123.376 119.070 0.072 0.000 3.330 146 H HA 0.028 4.600 4.556 0.026 0.000 0.260 146 H C -1.482 173.817 175.328 -0.047 0.000 1.439 146 H CA 1.223 57.281 56.048 0.018 0.000 1.540 146 H CB -1.204 28.564 29.762 0.011 0.000 1.698 146 H HN -0.213 8.143 8.280 0.126 0.000 0.516 147 M N 5.423 125.043 119.600 0.034 0.000 4.463 147 M HA 0.059 4.397 4.480 -0.237 0.000 0.523 147 M C -2.621 173.439 176.300 -0.400 0.000 2.065 147 M CA 0.920 56.112 55.300 -0.179 0.000 0.509 147 M CB 0.510 33.050 32.600 -0.100 0.000 2.446 147 M HN -0.159 8.151 8.290 0.034 0.000 0.576 148 Q N -2.305 117.174 119.800 -0.534 0.000 2.329 148 Q HA 0.145 3.841 4.340 -1.074 0.000 0.194 148 Q C -0.476 175.060 176.000 -0.772 0.000 0.721 148 Q CA 0.724 56.084 55.803 -0.739 0.000 0.890 148 Q CB 2.494 31.034 28.738 -0.331 0.000 1.280 148 Q HN 0.287 8.323 8.270 -0.390 0.000 0.431 149 S N -0.685 114.805 115.700 -0.351 0.000 2.696 149 S HA 0.183 4.649 4.470 -0.006 0.000 0.172 149 S C 0.079 174.652 174.600 -0.045 0.000 0.767 149 S CA 0.734 58.872 58.200 -0.103 0.000 0.856 149 S CB 1.732 64.928 63.200 -0.006 0.000 0.782 149 S HN -0.181 7.989 8.310 -0.234 0.000 0.582 150 I N -2.456 118.093 120.570 -0.035 0.000 8.320 150 I HA -0.512 3.620 4.170 -0.029 0.021 0.114 150 I C -1.379 174.807 176.117 0.114 0.000 1.671 150 I CA 1.854 63.158 61.300 0.006 0.000 2.148 150 I CB -0.718 37.267 38.000 -0.026 0.000 3.476 150 I HN -0.186 8.006 8.210 -0.030 0.000 0.219 151 S N -1.335 114.485 115.700 0.200 0.000 4.419 151 S HA 0.001 4.619 4.470 0.246 0.000 0.161 151 S C -1.530 173.333 174.600 0.439 0.000 1.008 151 S CA 0.122 58.477 58.200 0.257 0.000 1.336 151 S CB 1.948 65.254 63.200 0.177 0.000 1.536 151 S HN -0.153 8.297 8.310 0.235 0.000 0.429 152 F N 3.202 123.262 119.950 0.183 0.000 2.591 152 F HA 0.155 4.819 4.527 0.229 0.000 0.309 152 F C -2.569 173.378 175.800 0.246 0.000 1.098 152 F CA -0.265 57.854 58.000 0.197 0.000 0.937 152 F CB 4.021 43.087 39.000 0.110 0.000 1.250 152 F HN -0.440 8.085 8.300 0.376 0.000 0.447 153 A N 3.740 126.467 122.820 -0.155 0.000 2.486 153 A HA 0.294 4.696 4.320 0.137 0.000 0.300 153 A C -2.170 175.212 177.584 -0.338 0.000 1.048 153 A CA -0.588 51.397 52.037 -0.086 0.000 0.696 153 A CB 2.651 21.594 19.000 -0.095 0.000 1.278 153 A HN 0.046 7.852 8.150 -0.574 0.000 0.405 154 S N 1.205 116.803 115.700 -0.171 0.000 2.654 154 S HA 0.112 4.438 4.470 -0.240 0.000 0.267 154 S C -1.656 172.904 174.600 -0.067 0.000 1.151 154 S CA 0.267 58.356 58.200 -0.186 0.000 0.873 154 S CB 1.155 64.222 63.200 -0.221 0.000 1.181 154 S HN 0.501 8.803 8.310 -0.014 0.000 0.489 155 G N -1.849 106.913 108.800 -0.064 0.000 2.599 155 G HA2 -0.081 3.877 3.960 -0.003 0.000 0.235 155 G HA3 -0.081 3.881 3.960 0.004 0.000 0.235 155 G C -1.663 173.208 174.900 -0.048 0.000 3.235 155 G CA 0.004 45.091 45.100 -0.023 0.000 0.824 155 G HN 0.056 8.291 8.290 -0.092 0.000 0.510 156 G N -0.384 108.382 108.800 -0.057 0.000 3.054 156 G HA2 0.254 4.181 3.960 -0.056 0.000 0.201 156 G HA3 0.254 4.183 3.960 -0.052 0.000 0.201 156 G C -1.382 173.486 174.900 -0.053 0.000 1.694 156 G CA 0.264 45.331 45.100 -0.055 0.000 0.742 156 G HN -0.555 7.701 8.290 -0.057 0.000 0.790 157 D N 0.617 120.996 120.400 -0.036 0.000 2.085 157 D HA 0.083 4.700 4.640 -0.038 0.000 0.199 157 D C -0.351 175.931 176.300 -0.031 0.000 0.981 157 D CA 3.111 57.095 54.000 -0.026 0.000 0.834 157 D CB -1.610 39.194 40.800 0.006 0.000 0.992 157 D HN 0.073 8.427 8.370 -0.028 0.000 0.457 158 P HA 0.144 4.557 4.420 -0.012 0.000 0.302 158 P C -0.008 177.266 177.300 -0.045 0.000 1.301 158 P CA -0.533 62.547 63.100 -0.034 0.000 0.745 158 P CB 0.949 32.602 31.700 -0.078 0.000 1.331 159 D N -5.194 115.185 120.400 -0.035 0.000 4.473 159 D HA -0.410 4.236 4.640 0.009 0.000 0.201 159 D C 0.193 176.488 176.300 -0.008 0.000 0.853 159 D CA 3.540 57.536 54.000 -0.006 0.000 1.930 159 D CB -0.934 39.869 40.800 0.005 0.000 1.102 159 D HN 0.408 8.754 8.370 -0.040 0.000 0.417 160 T N -3.552 110.976 114.554 -0.044 0.000 2.958 160 T HA 0.096 4.401 4.350 -0.075 0.000 0.256 160 T C 0.455 174.993 174.700 -0.270 0.000 0.983 160 T CA -0.236 61.784 62.100 -0.134 0.000 0.924 160 T CB 1.516 70.323 68.868 -0.103 0.000 1.136 160 T HN -0.470 7.726 8.240 -0.047 0.016 0.506 161 A N 1.235 123.944 122.820 -0.185 0.000 2.860 161 A HA -0.328 4.155 4.320 -0.116 -0.233 0.267 161 A C -0.972 176.454 177.584 -0.262 0.000 1.421 161 A CA 1.354 53.288 52.037 -0.172 0.000 0.831 161 A CB -1.973 16.949 19.000 -0.130 0.000 1.041 161 A HN -0.217 7.859 8.150 -0.123 0.000 0.623 162 E N -5.281 114.706 120.200 -0.356 0.000 1.555 162 E HA -0.049 4.186 4.350 -0.191 0.000 0.232 162 E C -1.452 175.012 176.600 -0.228 0.000 1.063 162 E CA 0.146 56.321 56.400 -0.376 0.000 1.393 162 E CB 1.170 30.492 29.700 -0.630 0.000 4.318 162 E HN -0.205 7.944 8.360 -0.312 0.023 0.821 163 Y N -3.523 116.785 120.300 0.014 0.000 2.453 163 Y HA 0.297 4.861 4.550 0.023 0.000 0.344 163 Y C -0.373 175.546 175.900 0.033 0.000 1.323 163 Y CA -1.903 56.212 58.100 0.026 0.000 1.526 163 Y CB 1.434 39.914 38.460 0.035 0.000 1.603 163 Y HN -0.787 6.906 8.280 -0.979 0.000 0.563 164 V N -4.573 115.491 119.914 0.250 0.000 2.604 164 V HA 0.292 4.479 4.120 0.110 0.000 0.305 164 V C -2.325 173.920 176.094 0.250 0.000 1.043 164 V CA -2.085 60.317 62.300 0.171 0.000 0.888 164 V CB 1.746 33.639 31.823 0.117 0.000 0.995 164 V HN 0.026 8.394 8.190 0.298 0.000 0.429 165 A N 4.369 127.330 122.820 0.235 0.000 2.398 165 A HA 1.021 5.797 4.320 0.365 -0.237 0.301 165 A C -2.161 175.634 177.584 0.351 0.000 1.041 165 A CA -1.663 50.550 52.037 0.294 0.000 0.711 165 A CB 3.541 22.654 19.000 0.189 0.000 1.240 165 A HN 0.130 8.376 8.150 0.159 0.000 0.420 166 Y N 0.337 120.724 120.300 0.144 0.000 2.307 166 Y HA 0.416 5.092 4.550 0.085 -0.075 0.323 166 Y C -1.807 174.176 175.900 0.139 0.000 1.100 166 Y CA -2.782 55.382 58.100 0.107 0.000 1.140 166 Y CB 1.950 40.444 38.460 0.056 0.000 1.159 166 Y HN 0.091 8.574 8.280 0.339 0.000 0.436 167 V N 3.282 123.230 119.914 0.056 0.000 2.470 167 V HA 0.296 4.512 4.120 -0.092 -0.152 0.276 167 V C -1.596 174.464 176.094 -0.056 0.000 1.040 167 V CA -1.890 60.403 62.300 -0.012 0.000 1.008 167 V CB -0.409 31.485 31.823 0.120 0.000 0.990 167 V HN -0.061 8.255 8.190 0.210 0.000 0.477 168 A N 7.905 130.584 122.820 -0.235 0.000 2.452 168 A HA 0.350 4.617 4.320 -0.087 0.000 0.285 168 A C -1.744 175.791 177.584 -0.081 0.000 1.209 168 A CA -1.305 50.606 52.037 -0.211 0.000 0.940 168 A CB 2.759 21.446 19.000 -0.521 0.000 1.440 168 A HN 0.289 8.257 8.150 -0.303 0.000 0.480 169 K N -3.989 116.380 120.400 -0.052 0.000 2.622 169 K HA 0.089 4.427 4.320 0.029 0.000 0.273 169 K C -2.231 174.400 176.600 0.051 0.000 0.957 169 K CA 0.435 56.734 56.287 0.020 0.000 0.861 169 K CB 3.536 36.061 32.500 0.041 0.000 1.405 169 K HN -0.007 8.187 8.250 -0.093 0.000 0.406 170 D N 1.422 121.862 120.400 0.066 0.000 1.089 170 D HA 0.206 4.877 4.640 0.052 0.000 0.802 170 D C -1.536 174.797 176.300 0.055 0.000 0.714 170 D CA 1.730 55.772 54.000 0.071 0.000 0.979 170 D CB -0.295 40.583 40.800 0.130 0.000 2.669 170 D HN 0.313 8.719 8.370 0.061 0.000 0.289 171 P HA -0.041 4.402 4.420 0.039 0.000 0.222 171 P C -1.532 175.795 177.300 0.044 0.000 1.153 171 P CA 1.311 64.442 63.100 0.051 0.000 0.798 171 P CB 0.276 32.013 31.700 0.062 0.000 0.796 172 V N -4.836 115.107 119.914 0.048 0.000 3.167 172 V HA 0.266 4.407 4.120 0.034 0.000 0.310 172 V C -1.546 174.571 176.094 0.039 0.000 1.207 172 V CA -3.404 58.920 62.300 0.040 0.000 1.059 172 V CB 2.411 34.260 31.823 0.043 0.000 1.079 172 V HN -0.805 7.397 8.190 0.056 0.021 0.446 173 N N 0.229 118.949 118.700 0.033 0.000 2.455 173 N HA 0.012 4.773 4.740 0.034 0.000 0.258 173 N C -1.109 174.419 175.510 0.030 0.000 1.158 173 N CA 0.223 53.292 53.050 0.031 0.000 0.893 173 N CB -0.344 38.157 38.487 0.024 0.000 1.173 173 N HN 0.162 8.560 8.380 0.030 0.000 0.503 174 Q N -0.290 119.531 119.800 0.035 0.000 2.339 174 Q HA 0.113 4.470 4.340 0.028 0.000 0.268 174 Q C -0.839 175.185 176.000 0.041 0.000 1.027 174 Q CA -1.514 54.309 55.803 0.034 0.000 0.759 174 Q CB 2.123 30.882 28.738 0.035 0.000 1.244 174 Q HN -0.369 7.828 8.270 0.040 0.097 0.464 175 R N 3.836 124.359 120.500 0.037 0.000 2.504 175 R HA -0.108 4.424 4.340 0.044 -0.165 0.291 175 R C -1.095 175.236 176.300 0.051 0.000 0.974 175 R CA -0.030 56.095 56.100 0.043 0.000 1.077 175 R CB -0.170 30.154 30.300 0.040 0.000 0.926 175 R HN 0.451 8.739 8.270 0.030 0.000 0.407 176 A N 3.985 126.842 122.820 0.060 0.000 2.328 176 A HA 0.598 5.106 4.320 0.085 -0.138 0.318 176 A C -1.069 176.592 177.584 0.129 0.000 1.347 176 A CA -2.145 49.956 52.037 0.106 0.000 0.842 176 A CB 1.723 20.824 19.000 0.169 0.000 1.148 176 A HN 0.064 8.237 8.150 0.039 0.000 0.499 177 C N 6.181 125.536 119.300 0.092 0.000 2.662 177 C HA -0.185 4.308 4.460 0.054 0.000 0.402 177 C C -1.007 174.049 174.990 0.110 0.000 1.397 177 C CA -0.428 58.638 59.018 0.079 0.000 1.575 177 C CB -0.237 27.544 27.740 0.069 0.000 2.406 177 C HN 0.148 8.422 8.230 0.072 0.000 0.609 178 H N 9.744 128.699 119.070 -0.192 0.000 2.604 178 H HA 0.122 4.765 4.556 0.145 0.000 0.306 178 H C -1.213 174.179 175.328 0.107 0.000 1.075 178 H CA -0.098 55.919 56.048 -0.052 0.000 1.357 178 H CB 1.172 30.605 29.762 -0.547 0.000 1.426 178 H HN -0.230 7.869 8.280 -0.099 0.123 0.470 179 I N 5.360 125.979 120.570 0.082 0.000 2.330 179 I HA 0.133 4.405 4.170 0.170 0.000 0.289 179 I C -2.141 174.003 176.117 0.045 0.000 1.001 179 I CA -0.268 61.069 61.300 0.061 0.000 1.193 179 I CB 1.179 39.145 38.000 -0.057 0.000 1.345 179 I HN -0.069 8.051 8.210 -0.149 0.000 0.461 180 L N 5.784 127.126 121.223 0.197 0.000 2.371 180 L HA 0.733 5.236 4.340 0.100 -0.102 0.262 180 L C -1.527 175.407 176.870 0.107 0.000 1.006 180 L CA -1.244 53.709 54.840 0.189 0.000 0.818 180 L CB 2.878 45.152 42.059 0.359 0.000 1.354 180 L HN 0.294 8.676 8.230 0.254 0.000 0.415 181 E N -1.546 118.674 120.200 0.033 0.000 2.446 181 E HA 0.408 4.826 4.350 0.113 0.000 0.267 181 E C -1.612 175.013 176.600 0.041 0.000 0.955 181 E CA -2.077 54.323 56.400 -0.000 0.000 0.842 181 E CB 3.044 32.580 29.700 -0.274 0.000 1.504 181 E HN 0.167 8.547 8.360 0.034 0.000 0.438 182 C N -0.654 118.681 119.300 0.057 0.000 3.896 182 C HA -0.218 4.279 4.460 0.062 0.000 0.300 182 C C -0.640 174.389 174.990 0.065 0.000 1.322 182 C CA 0.331 59.382 59.018 0.055 0.000 2.130 182 C CB -1.129 26.629 27.740 0.030 0.000 1.363 182 C HN 0.453 8.734 8.230 0.086 0.000 0.642 183 P HA -0.115 4.458 4.420 0.091 -0.098 0.221 183 P C -1.293 176.040 177.300 0.055 0.000 1.155 183 P CA 1.590 64.730 63.100 0.066 0.000 0.812 183 P CB 0.612 32.331 31.700 0.031 0.000 0.801 184 E N -3.394 116.828 120.200 0.036 0.000 5.278 184 E HA -0.321 4.046 4.350 0.028 0.000 0.173 184 E C -0.702 175.899 176.600 0.002 0.000 1.365 184 E CA 0.046 56.464 56.400 0.031 0.000 1.205 184 E CB -0.391 29.340 29.700 0.052 0.000 1.015 184 E HN -0.040 8.342 8.360 0.038 0.000 0.350 185 G N 1.228 110.020 108.800 -0.013 0.000 2.415 185 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.283 185 G HA3 -0.236 3.724 3.960 0.000 0.000 0.283 185 G C -1.967 172.859 174.900 -0.124 0.000 1.014 185 G CA 0.458 45.543 45.100 -0.025 0.000 1.323 185 G HN 0.226 8.516 8.290 -0.000 0.000 0.502 186 L N -0.388 120.751 121.223 -0.140 0.000 3.731 186 L HA 0.112 4.223 4.340 -0.381 0.000 0.195 186 L C -0.594 176.188 176.870 -0.147 0.000 1.236 186 L CA 0.276 54.961 54.840 -0.258 0.000 0.985 186 L CB 0.602 42.482 42.059 -0.297 0.000 1.729 186 L HN -0.681 7.501 8.230 -0.080 0.000 0.652 187 A N -2.184 120.577 122.820 -0.099 0.000 5.017 187 A HA -0.589 3.700 4.320 -0.052 0.000 0.368 187 A C 2.111 179.649 177.584 -0.078 0.000 1.562 187 A CA 2.919 54.916 52.037 -0.067 0.000 0.699 187 A CB -1.679 17.291 19.000 -0.050 0.000 1.542 187 A HN 0.230 8.329 8.150 -0.085 0.000 0.438 188 Q N 0.918 120.677 119.800 -0.069 0.000 2.062 188 Q HA -0.319 3.987 4.340 -0.056 0.000 0.196 188 Q C 2.496 178.451 176.000 -0.074 0.000 0.967 188 Q CA 3.005 58.772 55.803 -0.061 0.000 0.832 188 Q CB -0.100 28.612 28.738 -0.044 0.000 0.899 188 Q HN 0.115 8.348 8.270 -0.062 0.000 0.442 189 D N -1.080 119.259 120.400 -0.101 0.000 2.123 189 D HA -0.247 4.326 4.640 -0.111 0.000 0.196 189 D C 2.183 178.402 176.300 -0.134 0.000 0.992 189 D CA 3.854 57.768 54.000 -0.144 0.000 0.833 189 D CB -0.094 40.567 40.800 -0.233 0.000 0.954 189 D HN -0.214 8.098 8.370 -0.095 0.000 0.455 190 V N 0.766 120.566 119.914 -0.190 0.000 2.343 190 V HA -0.297 3.742 4.120 -0.135 0.000 0.247 190 V C 1.411 177.447 176.094 -0.097 0.000 1.051 190 V CA 3.047 65.243 62.300 -0.173 0.000 1.036 190 V CB -0.103 31.582 31.823 -0.229 0.000 0.654 190 V HN -0.757 7.170 8.190 -0.205 0.140 0.451 191 I N -1.061 119.444 120.570 -0.107 0.000 2.264 191 I HA -0.462 3.613 4.170 -0.159 0.000 0.248 191 I C 2.332 178.379 176.117 -0.116 0.000 1.111 191 I CA 3.377 64.603 61.300 -0.124 0.000 1.382 191 I CB -1.549 36.387 38.000 -0.107 0.000 1.060 191 I HN -0.519 7.552 8.210 -0.107 0.075 0.418 192 S N -1.819 113.841 115.700 -0.068 0.000 2.402 192 S HA -0.238 4.198 4.470 -0.057 0.000 0.229 192 S C 1.472 176.048 174.600 -0.040 0.000 1.021 192 S CA 4.183 62.359 58.200 -0.041 0.000 0.974 192 S CB -0.174 63.040 63.200 0.024 0.000 0.800 192 S HN -0.150 8.018 8.310 -0.061 0.106 0.484 193 T N 4.268 118.818 114.554 -0.007 0.000 2.698 193 T HA -0.275 4.103 4.350 0.046 0.000 0.260 193 T C 1.689 176.387 174.700 -0.003 0.000 1.044 193 T CA 3.648 65.775 62.100 0.044 0.000 1.149 193 T CB -0.621 68.350 68.868 0.171 0.000 0.864 193 T HN -0.778 7.320 8.240 -0.011 0.136 0.419 194 I N 1.145 121.676 120.570 -0.065 0.000 2.248 194 I HA -0.555 3.615 4.170 -0.000 0.000 0.248 194 I C 2.360 178.319 176.117 -0.264 0.000 1.107 194 I CA 4.218 65.424 61.300 -0.156 0.000 1.373 194 I CB -0.589 37.211 38.000 -0.333 0.000 1.055 194 I HN -0.327 7.846 8.210 -0.062 0.000 0.418 195 G N -2.442 106.190 108.800 -0.281 0.000 2.408 195 G HA2 -0.341 3.408 3.960 -0.351 0.000 0.217 195 G HA3 -0.341 3.507 3.960 -0.186 0.000 0.217 195 G C 1.006 175.909 174.900 0.006 0.000 1.150 195 G CA 1.700 46.675 45.100 -0.208 0.000 0.776 195 G HN -0.375 7.765 8.290 -0.232 0.011 0.542 196 Q N 2.291 122.085 119.800 -0.010 0.000 1.921 196 Q HA -0.421 3.907 4.340 -0.020 0.000 0.208 196 Q C 2.840 178.887 176.000 0.080 0.000 0.994 196 Q CA 3.024 58.832 55.803 0.008 0.000 0.857 196 Q CB -0.356 28.371 28.738 -0.019 0.000 0.925 196 Q HN -0.485 7.668 8.270 -0.043 0.091 0.421 197 A N -1.244 121.638 122.820 0.103 0.000 2.084 197 A HA -0.292 4.074 4.320 0.077 0.000 0.221 197 A C 2.313 180.025 177.584 0.214 0.000 1.161 197 A CA 2.644 54.758 52.037 0.128 0.000 0.653 197 A CB -0.914 18.159 19.000 0.121 0.000 0.802 197 A HN -0.357 7.841 8.150 0.080 0.000 0.457 198 F N -1.950 118.011 119.950 0.018 0.000 2.102 198 F HA -0.302 4.280 4.527 0.092 0.000 0.298 198 F C 1.138 176.996 175.800 0.096 0.000 1.105 198 F CA 2.989 61.030 58.000 0.068 0.000 1.239 198 F CB 0.024 39.053 39.000 0.048 0.000 0.991 198 F HN -0.502 7.902 8.300 0.407 0.140 0.474 199 E N -2.469 117.867 120.200 0.225 0.000 2.311 199 E HA -0.039 4.372 4.350 0.101 0.000 0.198 199 E C -0.256 176.380 176.600 0.061 0.000 1.115 199 E CA -0.076 56.388 56.400 0.108 0.000 1.140 199 E CB -0.470 29.266 29.700 0.061 0.000 1.204 199 E HN -0.455 8.042 8.360 0.229 0.000 0.446 200 L N -1.588 119.677 121.223 0.071 0.000 2.115 200 L HA -0.020 4.332 4.340 0.020 0.000 0.200 200 L C 1.141 178.030 176.870 0.032 0.000 1.094 200 L CA 1.941 56.803 54.840 0.036 0.000 0.769 200 L CB 0.328 42.406 42.059 0.032 0.000 0.931 200 L HN -0.519 7.673 8.230 0.098 0.096 0.455 201 R N -3.909 116.620 120.500 0.049 0.000 2.242 201 R HA 0.167 4.529 4.340 0.037 0.000 0.138 201 R C 0.537 176.927 176.300 0.150 0.000 2.004 201 R CA -0.534 55.600 56.100 0.056 0.000 1.618 201 R CB 1.802 32.117 30.300 0.024 0.000 1.371 201 R HN -0.477 7.823 8.270 0.050 0.000 0.480 202 F N -1.023 118.890 119.950 -0.061 0.000 3.100 202 F HA -0.368 4.123 4.527 -0.061 0.000 0.283 202 F C -1.632 174.150 175.800 -0.030 0.000 0.900 202 F CA 0.483 58.444 58.000 -0.064 0.000 1.010 202 F CB -0.799 38.138 39.000 -0.104 0.000 1.029 202 F HN 0.301 8.630 8.300 0.049 0.000 0.637 203 K N -3.391 117.142 120.400 0.221 0.000 3.689 203 K HA -0.528 3.853 4.320 0.102 0.000 0.276 203 K C -0.668 175.985 176.600 0.089 0.000 0.932 203 K CA 0.399 56.779 56.287 0.156 0.000 0.758 203 K CB -1.381 31.242 32.500 0.205 0.000 1.500 203 K HN -0.002 8.315 8.250 0.148 0.022 0.448 204 Q N 0.205 119.998 119.800 -0.012 0.000 2.364 204 Q HA -0.233 3.882 4.340 -0.374 0.000 0.263 204 Q C 0.477 176.368 176.000 -0.181 0.000 1.276 204 Q CA 0.936 56.622 55.803 -0.195 0.000 0.923 204 Q CB -0.594 28.061 28.738 -0.137 0.000 1.477 204 Q HN -0.054 8.228 8.270 0.020 0.000 0.484 205 Y N 2.204 122.489 120.300 -0.025 0.000 2.395 205 Y HA -0.142 4.403 4.550 -0.009 0.000 0.293 205 Y C -0.568 175.318 175.900 -0.022 0.000 1.123 205 Y CA -0.112 57.976 58.100 -0.020 0.000 1.227 205 Y CB -0.033 38.412 38.460 -0.025 0.000 1.012 205 Y HN -0.167 7.704 8.280 -0.683 0.000 0.552 206 L N -0.412 120.547 121.223 -0.440 0.000 3.040 206 L HA -0.236 3.943 4.340 -0.269 0.000 0.594 206 L C 0.553 177.527 176.870 0.173 0.000 1.002 206 L CA 0.107 54.861 54.840 -0.145 0.000 1.305 206 L CB -0.446 41.569 42.059 -0.072 0.000 1.539 206 L HN -0.277 7.180 8.230 -1.253 0.021 0.746 207 R N 0.000 120.647 120.500 0.244 0.000 2.786 207 R HA 0.000 4.489 4.340 0.249 0.000 0.208 207 R CA 0.000 56.234 56.100 0.223 0.000 0.921 207 R CB 0.000 30.416 30.300 0.194 0.000 0.687 207 R HN 0.000 8.367 8.270 0.162 0.000 0.535