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 2aga_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPLGSMESIF HEKQEGSLCA QHCLNNLLQG EYFSPVELSS IAHQLDEEER DATA SEQUENCE MRMAEGGVTS EDYRTFLQQP SGNMDDSGFF SIQVISNALK VWGLELILFN DATA SEQUENCE SPEYQRLRID PINERSFICN YKEHWFTVRK LGKQWFNLNS LLTGPELISD DATA SEQUENCE TYLALFLAQL QQEGYSIFVV KGDLPDCEAD QLLQMIRVQQ 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.955 3.960 -0.009 0.000 0.244 1 G C 0.000 174.895 174.900 -0.009 0.000 0.946 1 G CA 0.000 45.094 45.100 -0.010 0.000 0.502 2 P HA -0.009 4.406 4.420 -0.009 0.000 0.241 2 P C -0.029 177.266 177.300 -0.008 0.000 1.191 2 P CA 0.466 63.560 63.100 -0.010 0.000 0.771 2 P CB 0.504 32.196 31.700 -0.013 0.000 0.929 3 L N -5.175 116.044 121.223 -0.007 0.000 2.462 3 L HA -0.262 4.076 4.340 -0.004 0.000 0.444 3 L C -0.368 176.500 176.870 -0.004 0.000 0.704 3 L CA 1.484 56.321 54.840 -0.005 0.000 3.285 3 L CB -1.628 40.428 42.059 -0.005 0.000 0.573 3 L HN 0.099 8.258 8.230 -0.008 0.066 0.787 4 G N -1.713 107.083 108.800 -0.005 0.000 2.704 4 G HA2 0.383 4.345 3.960 0.002 0.000 0.280 4 G HA3 0.383 4.342 3.960 -0.002 0.000 0.280 4 G C -0.187 174.709 174.900 -0.008 0.000 1.499 4 G CA -0.215 44.883 45.100 -0.003 0.000 1.146 4 G HN -0.602 7.589 8.290 -0.008 0.095 0.558 5 S N 6.610 122.304 115.700 -0.010 0.000 2.355 5 S HA -0.351 4.101 4.470 -0.030 0.000 0.222 5 S C 1.793 176.385 174.600 -0.014 0.000 1.031 5 S CA 2.472 60.655 58.200 -0.027 0.000 0.993 5 S CB -0.079 63.084 63.200 -0.061 0.000 0.859 5 S HN 0.386 8.693 8.310 -0.004 0.000 0.453 6 M N 0.408 120.020 119.600 0.020 0.000 2.521 6 M HA -0.264 4.256 4.480 0.066 0.000 0.260 6 M C 1.548 177.841 176.300 -0.011 0.000 1.068 6 M CA 2.578 57.902 55.300 0.040 0.000 1.060 6 M CB -0.564 32.079 32.600 0.071 0.000 1.398 6 M HN 0.124 8.436 8.290 0.036 0.000 0.473 7 E N -0.986 119.205 120.200 -0.014 0.000 2.171 7 E HA -0.268 4.064 4.350 -0.029 0.000 0.197 7 E C 0.661 177.237 176.600 -0.040 0.000 0.997 7 E CA 2.373 58.757 56.400 -0.026 0.000 0.810 7 E CB 0.082 29.771 29.700 -0.018 0.000 0.738 7 E HN -0.551 7.601 8.360 -0.008 0.204 0.467 8 S N -3.125 112.555 115.700 -0.033 0.000 2.630 8 S HA 0.121 4.552 4.470 -0.066 0.000 0.173 8 S C -1.833 172.767 174.600 0.001 0.000 1.048 8 S CA -0.089 58.093 58.200 -0.031 0.000 1.172 8 S CB 0.061 63.256 63.200 -0.009 0.000 1.638 8 S HN -0.216 8.067 8.310 -0.023 0.013 0.429 9 I N 4.610 125.172 120.570 -0.013 0.000 2.352 9 I HA -0.095 4.115 4.170 0.067 0.000 0.290 9 I C -1.700 174.600 176.117 0.304 0.000 1.036 9 I CA 0.677 62.027 61.300 0.083 0.000 1.336 9 I CB -0.084 37.972 38.000 0.093 0.000 1.407 9 I HN -0.686 7.486 8.210 -0.065 0.000 0.497 10 F N 4.239 124.210 119.950 0.035 0.000 3.397 10 F HA 0.008 4.578 4.527 0.071 0.000 0.302 10 F C -2.759 173.095 175.800 0.090 0.000 0.851 10 F CA -0.633 57.407 58.000 0.066 0.000 0.820 10 F CB 1.679 40.722 39.000 0.073 0.000 2.885 10 F HN -0.011 8.439 8.300 0.250 0.000 0.329 11 H N 1.942 121.045 119.070 0.055 0.000 2.458 11 H HA 0.238 4.782 4.556 -0.019 0.000 0.330 11 H C -0.466 174.891 175.328 0.048 0.000 1.111 11 H CA -0.869 55.165 56.048 -0.024 0.000 1.245 11 H CB 2.087 31.749 29.762 -0.167 0.000 1.456 11 H HN -0.010 8.340 8.280 0.117 0.000 0.488 12 E N 4.712 124.847 120.200 -0.107 0.000 1.905 12 E HA -0.333 3.992 4.350 -0.042 0.000 0.218 12 E C 0.017 176.399 176.600 -0.363 0.000 0.928 12 E CA 1.542 57.840 56.400 -0.169 0.000 0.928 12 E CB -0.014 29.655 29.700 -0.051 0.000 0.815 12 E HN 0.195 8.669 8.360 0.190 0.000 0.590 13 K N 2.378 122.526 120.400 -0.420 0.000 2.312 13 K HA -0.097 4.116 4.320 -0.178 0.000 0.287 13 K C -1.351 174.967 176.600 -0.470 0.000 1.062 13 K CA -0.052 56.060 56.287 -0.292 0.000 0.934 13 K CB 0.262 32.710 32.500 -0.088 0.000 1.027 13 K HN 0.086 8.147 8.250 -0.316 0.000 0.478 14 Q N 4.948 124.616 119.800 -0.220 0.000 2.327 14 Q HA 0.172 4.497 4.340 -0.024 0.000 0.270 14 Q C -1.342 174.682 176.000 0.041 0.000 1.022 14 Q CA -0.139 55.636 55.803 -0.047 0.000 0.773 14 Q CB 1.444 30.228 28.738 0.077 0.000 1.251 14 Q HN 0.317 8.514 8.270 -0.123 0.000 0.457 15 E N 9.092 129.335 120.200 0.071 0.000 3.651 15 E HA 0.243 4.631 4.350 0.064 0.000 0.220 15 E C -1.378 175.279 176.600 0.095 0.000 1.222 15 E CA -0.354 56.092 56.400 0.075 0.000 1.114 15 E CB 0.434 30.177 29.700 0.072 0.000 1.278 15 E HN 0.003 8.489 8.360 0.083 -0.076 0.412 16 G N -0.034 108.831 108.800 0.109 0.000 3.100 16 G HA2 0.019 4.037 3.960 0.097 0.000 0.233 16 G HA3 0.019 4.053 3.960 0.123 0.000 0.233 16 G C -2.197 172.783 174.900 0.133 0.000 3.794 16 G CA -0.256 44.914 45.100 0.116 0.000 0.453 16 G HN -0.484 7.874 8.290 0.114 0.000 0.329 17 S N 1.791 117.526 115.700 0.058 0.000 2.566 17 S HA 0.372 4.829 4.470 -0.022 0.000 0.324 17 S C -0.648 173.943 174.600 -0.015 0.000 1.081 17 S CA -0.469 57.701 58.200 -0.050 0.000 1.105 17 S CB 0.765 63.840 63.200 -0.208 0.000 0.981 17 S HN -0.268 8.068 8.310 0.043 0.000 0.464 18 L N -0.035 121.206 121.223 0.029 0.000 1.326 18 L HA 0.173 4.525 4.340 0.020 0.000 0.115 18 L C -1.515 175.414 176.870 0.099 0.000 1.379 18 L CA 0.903 55.774 54.840 0.051 0.000 1.199 18 L CB 0.478 42.575 42.059 0.064 0.000 2.485 18 L HN 0.447 8.715 8.230 0.063 0.000 0.472 19 C N 0.495 119.894 119.300 0.165 0.000 2.668 19 C HA 0.331 4.922 4.460 0.218 0.000 0.355 19 C C 1.716 176.810 174.990 0.172 0.000 1.277 19 C CA -2.586 56.573 59.018 0.236 0.000 1.787 19 C CB 3.169 31.171 27.740 0.436 0.000 2.233 19 C HN -0.539 7.800 8.230 0.183 0.000 0.495 20 A N 1.524 124.411 122.820 0.112 0.000 2.084 20 A HA -0.407 3.727 4.320 -0.309 0.000 0.221 20 A C 1.577 179.146 177.584 -0.025 0.000 1.161 20 A CA 3.131 55.060 52.037 -0.179 0.000 0.653 20 A CB -0.489 18.162 19.000 -0.583 0.000 0.802 20 A HN 0.685 8.974 8.150 0.232 0.000 0.457 21 Q N -1.873 117.983 119.800 0.093 0.000 2.325 21 Q HA -0.301 4.005 4.340 -0.056 0.000 0.211 21 Q C 1.832 177.835 176.000 0.005 0.000 0.988 21 Q CA 2.410 58.218 55.803 0.010 0.000 0.887 21 Q CB -0.922 27.815 28.738 -0.003 0.000 0.915 21 Q HN 0.497 8.854 8.270 0.207 0.037 0.440 22 H N 0.685 119.725 119.070 -0.050 0.000 2.299 22 H HA -0.080 4.734 4.556 -0.040 -0.282 0.302 22 H C 1.989 177.239 175.328 -0.130 0.000 1.078 22 H CA 3.460 59.467 56.048 -0.068 0.000 1.323 22 H CB 0.079 29.807 29.762 -0.056 0.000 1.381 22 H HN 0.456 8.667 8.280 0.156 0.163 0.498 23 C N -0.736 118.374 119.300 -0.317 0.000 2.425 23 C HA -0.306 3.821 4.460 -0.554 0.000 0.277 23 C C 1.601 176.405 174.990 -0.310 0.000 1.280 23 C CA 3.328 62.124 59.018 -0.371 0.000 1.744 23 C CB -1.666 25.934 27.740 -0.232 0.000 1.989 23 C HN -0.067 8.020 8.230 -0.116 0.073 0.491 24 L N 1.254 122.343 121.223 -0.224 0.000 2.046 24 L HA -0.394 3.826 4.340 -0.202 0.000 0.208 24 L C 0.824 177.486 176.870 -0.347 0.000 1.077 24 L CA 3.947 58.652 54.840 -0.225 0.000 0.747 24 L CB -0.264 41.699 42.059 -0.159 0.000 0.896 24 L HN 0.438 8.485 8.230 -0.169 0.082 0.432 25 N N -0.708 117.791 118.700 -0.335 0.000 2.120 25 N HA -0.416 4.089 4.740 -0.391 0.000 0.188 25 N C 1.729 176.746 175.510 -0.821 0.000 1.024 25 N CA 3.277 56.065 53.050 -0.437 0.000 0.852 25 N CB -0.219 38.125 38.487 -0.238 0.000 1.003 25 N HN 0.027 8.063 8.380 -0.258 0.189 0.424 26 N N -0.177 118.078 118.700 -0.742 0.000 2.142 26 N HA -0.272 3.661 4.740 -1.346 0.000 0.186 26 N C 2.331 177.539 175.510 -0.504 0.000 1.023 26 N CA 2.300 54.898 53.050 -0.754 0.000 0.852 26 N CB -0.178 38.013 38.487 -0.493 0.000 0.998 26 N HN -0.239 7.704 8.380 -0.598 0.078 0.424 27 L N 0.994 121.985 121.223 -0.387 0.000 2.017 27 L HA -0.251 3.975 4.340 -0.190 0.000 0.208 27 L C 1.396 178.087 176.870 -0.298 0.000 1.073 27 L CA 2.819 57.502 54.840 -0.261 0.000 0.745 27 L CB -0.008 41.938 42.059 -0.188 0.000 0.894 27 L HN 0.277 8.077 8.230 -0.388 0.198 0.432 28 L N -6.309 114.648 121.223 -0.443 0.000 2.549 28 L HA -0.169 3.909 4.340 -0.437 0.000 0.229 28 L C -0.398 176.324 176.870 -0.248 0.000 1.158 28 L CA 0.720 55.248 54.840 -0.520 0.000 0.842 28 L CB -0.340 41.059 42.059 -1.100 0.000 0.952 28 L HN 0.409 8.218 8.230 -0.497 0.122 0.452 29 Q N -7.923 111.676 119.800 -0.336 0.000 2.311 29 Q HA -0.313 3.997 4.340 -0.227 -0.106 0.178 29 Q C -1.130 174.804 176.000 -0.110 0.000 0.596 29 Q CA 1.086 56.779 55.803 -0.183 0.000 1.377 29 Q CB -1.676 27.078 28.738 0.027 0.000 1.372 29 Q HN -0.515 7.328 8.270 -0.473 0.143 0.896 30 G N -3.112 105.499 108.800 -0.314 0.000 2.750 30 G HA2 0.234 4.256 3.960 0.103 0.000 0.298 30 G HA3 0.234 4.143 3.960 -0.085 0.000 0.298 30 G C -0.783 173.417 174.900 -1.166 0.000 1.412 30 G CA 0.074 44.904 45.100 -0.449 0.000 1.078 30 G HN -0.795 7.149 8.290 -0.421 0.093 0.573 31 E N 7.426 127.035 120.200 -0.984 0.000 2.148 31 E HA -0.303 3.869 4.350 -0.297 0.000 0.259 31 E C 0.100 176.391 176.600 -0.515 0.000 0.874 31 E CA 1.340 57.420 56.400 -0.533 0.000 1.367 31 E CB 0.418 30.036 29.700 -0.136 0.000 0.891 31 E HN 0.310 8.399 8.360 -0.452 0.000 0.598 32 Y N -6.240 114.165 120.300 0.175 0.000 4.879 32 Y HA -0.249 4.338 4.550 0.060 0.000 0.247 32 Y C -1.422 174.497 175.900 0.033 0.000 0.985 32 Y CA 0.212 58.361 58.100 0.082 0.000 2.000 32 Y CB -2.212 36.287 38.460 0.065 0.000 1.519 32 Y HN 0.335 8.651 8.280 0.058 0.000 0.613 33 F N -2.044 118.015 119.950 0.183 0.000 2.563 33 F HA 0.214 4.825 4.527 0.139 0.000 0.316 33 F C -1.173 174.657 175.800 0.051 0.000 1.076 33 F CA -1.633 56.436 58.000 0.116 0.000 0.921 33 F CB 3.722 42.770 39.000 0.080 0.000 1.209 33 F HN -0.503 7.921 8.300 0.282 0.045 0.462 34 S N 1.067 116.968 115.700 0.334 0.000 2.704 34 S HA 0.437 4.992 4.470 0.142 0.000 0.305 34 S C -1.113 173.484 174.600 -0.004 0.000 1.107 34 S CA -2.370 55.916 58.200 0.144 0.000 0.993 34 S CB 1.404 64.678 63.200 0.124 0.000 1.110 34 S HN 0.007 8.602 8.310 0.475 0.000 0.534 35 P HA 0.129 4.369 4.420 -0.301 0.000 0.221 35 P C 1.149 178.411 177.300 -0.063 0.000 1.155 35 P CA 2.033 65.135 63.100 0.005 0.000 0.812 35 P CB 0.134 32.049 31.700 0.358 0.000 0.801 36 V N 0.956 120.888 119.914 0.030 0.000 2.343 36 V HA -0.346 3.821 4.120 0.078 0.000 0.247 36 V C 2.161 178.202 176.094 -0.088 0.000 1.051 36 V CA 3.523 65.834 62.300 0.017 0.000 1.036 36 V CB -0.982 30.861 31.823 0.033 0.000 0.654 36 V HN -0.023 8.202 8.190 0.058 0.000 0.451 37 E N -0.793 119.349 120.200 -0.097 0.000 2.110 37 E HA -0.287 4.034 4.350 -0.048 0.000 0.193 37 E C 2.749 179.177 176.600 -0.286 0.000 0.988 37 E CA 3.238 59.580 56.400 -0.097 0.000 0.804 37 E CB -0.714 29.035 29.700 0.082 0.000 0.745 37 E HN 0.337 8.671 8.360 -0.044 0.000 0.458 38 L N -0.513 120.360 121.223 -0.584 0.000 2.012 38 L HA -0.377 3.563 4.340 -0.665 0.000 0.210 38 L C 2.307 178.857 176.870 -0.534 0.000 1.073 38 L CA 3.577 57.884 54.840 -0.888 0.000 0.748 38 L CB -0.567 40.357 42.059 -1.892 0.000 0.891 38 L HN -0.548 7.223 8.230 -0.616 0.090 0.431 39 S N -0.900 114.600 115.700 -0.332 0.000 2.368 39 S HA -0.283 4.297 4.470 0.184 0.000 0.225 39 S C 2.577 176.974 174.600 -0.339 0.000 1.030 39 S CA 3.350 61.518 58.200 -0.053 0.000 0.999 39 S CB -0.152 63.077 63.200 0.049 0.000 0.844 39 S HN -0.187 7.818 8.310 -0.377 0.079 0.459 40 S N 2.409 117.953 115.700 -0.260 0.000 2.371 40 S HA -0.188 4.116 4.470 -0.277 0.000 0.224 40 S C 1.938 176.499 174.600 -0.065 0.000 1.029 40 S CA 3.212 61.303 58.200 -0.181 0.000 0.978 40 S CB -0.332 62.809 63.200 -0.098 0.000 0.833 40 S HN -0.199 7.911 8.310 -0.207 0.075 0.466 41 I N 2.059 122.576 120.570 -0.090 0.000 2.226 41 I HA -0.496 3.665 4.170 -0.014 0.000 0.245 41 I C 1.051 177.162 176.117 -0.010 0.000 1.100 41 I CA 3.757 65.024 61.300 -0.056 0.000 1.374 41 I CB -0.219 37.705 38.000 -0.127 0.000 1.057 41 I HN 0.911 8.822 8.210 -0.154 0.207 0.413 42 A N -0.003 122.821 122.820 0.007 0.000 1.877 42 A HA -0.354 4.098 4.320 0.037 -0.110 0.216 42 A C 2.049 179.740 177.584 0.178 0.000 1.186 42 A CA 3.007 55.100 52.037 0.093 0.000 0.620 42 A CB -0.818 18.271 19.000 0.149 0.000 0.822 42 A HN 0.366 8.376 8.150 -0.047 0.112 0.443 43 H N -1.548 117.522 119.070 -0.000 0.000 2.321 43 H HA -0.385 4.179 4.556 0.014 0.000 0.300 43 H C 2.936 178.264 175.328 0.001 0.000 1.087 43 H CA 3.024 59.077 56.048 0.008 0.000 1.319 43 H CB 0.020 29.790 29.762 0.014 0.000 1.379 43 H HN -0.079 8.406 8.280 0.341 0.000 0.501 44 Q N -1.611 118.268 119.800 0.131 0.000 2.170 44 Q HA -0.244 4.133 4.340 0.061 0.000 0.203 44 Q C 2.687 178.704 176.000 0.027 0.000 0.976 44 Q CA 2.718 58.557 55.803 0.060 0.000 0.858 44 Q CB -0.317 28.444 28.738 0.038 0.000 0.907 44 Q HN 0.666 8.884 8.270 0.122 0.125 0.433 45 L N 1.037 122.275 121.223 0.025 0.000 2.017 45 L HA -0.207 4.116 4.340 -0.028 0.000 0.208 45 L C 1.821 178.676 176.870 -0.026 0.000 1.073 45 L CA 3.804 58.639 54.840 -0.009 0.000 0.745 45 L CB -0.466 41.591 42.059 -0.002 0.000 0.894 45 L HN 0.493 8.535 8.230 0.044 0.215 0.432 46 D N -0.601 119.805 120.400 0.009 0.000 2.117 46 D HA -0.342 4.303 4.640 0.009 0.000 0.197 46 D C 2.311 178.603 176.300 -0.013 0.000 0.987 46 D CA 4.635 58.638 54.000 0.006 0.000 0.829 46 D CB 0.086 40.892 40.800 0.011 0.000 0.961 46 D HN 0.036 8.355 8.370 0.037 0.073 0.460 47 E N -0.514 119.685 120.200 -0.002 0.000 2.072 47 E HA -0.233 4.116 4.350 -0.002 0.000 0.190 47 E C 2.595 179.180 176.600 -0.025 0.000 0.982 47 E CA 3.229 59.627 56.400 -0.004 0.000 0.803 47 E CB 0.114 29.823 29.700 0.014 0.000 0.755 47 E HN -0.231 8.070 8.360 0.016 0.069 0.453 48 E N 0.548 120.728 120.200 -0.033 0.000 2.028 48 E HA -0.268 4.057 4.350 -0.041 0.000 0.190 48 E C 2.394 178.933 176.600 -0.102 0.000 0.984 48 E CA 3.223 59.591 56.400 -0.052 0.000 0.800 48 E CB 0.170 29.846 29.700 -0.040 0.000 0.758 48 E HN 0.722 8.861 8.360 -0.021 0.208 0.448 49 E N -1.031 119.084 120.200 -0.143 0.000 2.160 49 E HA -0.267 3.927 4.350 -0.261 0.000 0.195 49 E C 2.565 178.992 176.600 -0.288 0.000 0.991 49 E CA 2.817 59.058 56.400 -0.265 0.000 0.810 49 E CB -0.052 29.421 29.700 -0.378 0.000 0.742 49 E HN 0.791 8.927 8.360 -0.114 0.155 0.466 50 R N -0.774 119.623 120.500 -0.172 0.000 2.062 50 R HA -0.194 4.042 4.340 -0.173 0.000 0.229 50 R C 2.591 178.837 176.300 -0.091 0.000 1.128 50 R CA 3.115 59.148 56.100 -0.113 0.000 0.960 50 R CB -0.015 30.278 30.300 -0.012 0.000 0.855 50 R HN -0.177 7.902 8.270 -0.117 0.120 0.432 51 M N -1.374 118.185 119.600 -0.068 0.000 2.123 51 M HA -0.143 4.323 4.480 -0.024 0.000 0.263 51 M C 1.996 178.255 176.300 -0.069 0.000 1.069 51 M CA 3.437 58.710 55.300 -0.046 0.000 1.133 51 M CB -0.085 32.497 32.600 -0.030 0.000 1.356 51 M HN -0.059 8.083 8.290 -0.063 0.109 0.415 52 R N 1.180 121.623 120.500 -0.096 0.000 2.080 52 R HA -0.299 3.998 4.340 -0.071 0.000 0.236 52 R C 2.173 178.395 176.300 -0.129 0.000 1.137 52 R CA 2.822 58.860 56.100 -0.102 0.000 0.943 52 R CB -0.744 29.487 30.300 -0.116 0.000 0.846 52 R HN 0.896 8.971 8.270 -0.102 0.134 0.431 53 M N -2.457 117.017 119.600 -0.211 0.000 2.156 53 M HA -0.129 4.224 4.480 -0.211 0.000 0.264 53 M C 1.753 177.947 176.300 -0.177 0.000 1.067 53 M CA 3.584 58.719 55.300 -0.274 0.000 1.131 53 M CB 0.138 32.408 32.600 -0.549 0.000 1.368 53 M HN -0.190 7.833 8.290 -0.251 0.116 0.416 54 A N 0.079 122.826 122.820 -0.122 0.000 1.877 54 A HA -0.364 4.022 4.320 0.110 0.000 0.216 54 A C 2.142 179.733 177.584 0.012 0.000 1.186 54 A CA 2.875 54.925 52.037 0.021 0.000 0.620 54 A CB -0.695 18.341 19.000 0.060 0.000 0.822 54 A HN 0.247 8.184 8.150 -0.150 0.123 0.443 55 E N -2.213 117.977 120.200 -0.016 0.000 2.007 55 E HA -0.342 4.009 4.350 0.002 0.000 0.194 55 E C 2.542 179.135 176.600 -0.012 0.000 0.999 55 E CA 2.324 58.718 56.400 -0.011 0.000 0.811 55 E CB -0.003 29.686 29.700 -0.018 0.000 0.762 55 E HN 0.525 8.715 8.360 -0.036 0.148 0.450 56 G N -4.111 104.672 108.800 -0.029 0.000 2.537 56 G HA2 -0.161 3.788 3.960 -0.018 0.000 0.220 56 G HA3 -0.161 3.823 3.960 -0.038 -0.046 0.220 56 G C 0.149 175.042 174.900 -0.011 0.000 1.111 56 G CA 0.598 45.683 45.100 -0.025 0.000 0.748 56 G HN 0.066 8.218 8.290 -0.046 0.110 0.564 57 G N -1.543 107.256 108.800 -0.001 0.000 2.258 57 G HA2 -0.195 3.857 3.960 0.042 0.000 0.233 57 G HA3 -0.195 3.778 3.960 0.023 0.000 0.233 57 G C 0.340 175.267 174.900 0.045 0.000 1.006 57 G CA -0.015 45.101 45.100 0.027 0.000 0.620 57 G HN -0.896 7.263 8.290 -0.006 0.127 0.511 58 V N -1.026 118.885 119.914 -0.005 0.000 1.910 58 V HA -0.482 3.597 4.120 -0.069 0.000 0.081 58 V C -0.179 175.949 176.094 0.056 0.000 0.454 58 V CA 1.534 63.822 62.300 -0.020 0.000 1.406 58 V CB -1.155 30.605 31.823 -0.105 0.000 1.664 58 V HN 0.192 8.280 8.190 -0.033 0.083 0.866 59 T N -2.505 112.080 114.554 0.051 0.000 3.854 59 T HA -0.452 3.925 4.350 0.045 0.000 0.343 59 T C 0.719 175.467 174.700 0.080 0.000 0.767 59 T CA 1.910 64.040 62.100 0.051 0.000 1.840 59 T CB -0.886 67.999 68.868 0.028 0.000 1.922 59 T HN 0.367 8.518 8.240 0.037 0.111 0.770 60 S N -2.775 113.011 115.700 0.142 0.000 1.706 60 S HA -0.675 3.965 4.470 0.282 0.000 0.229 60 S C 0.511 175.214 174.600 0.172 0.000 0.861 60 S CA 3.776 62.081 58.200 0.176 0.000 1.488 60 S CB -1.907 61.345 63.200 0.086 0.000 1.943 60 S HN -0.034 8.311 8.310 0.176 0.071 0.533 61 E N 1.405 121.666 120.200 0.102 0.000 2.070 61 E HA -0.434 3.962 4.350 0.077 0.000 0.197 61 E C 1.884 178.549 176.600 0.109 0.000 1.004 61 E CA 2.945 59.394 56.400 0.081 0.000 0.805 61 E CB -0.359 29.364 29.700 0.039 0.000 0.744 61 E HN 0.350 8.650 8.360 0.075 0.105 0.451 62 D N -1.219 119.237 120.400 0.094 0.000 2.182 62 D HA -0.227 4.461 4.640 0.079 0.000 0.201 62 D C 2.362 178.746 176.300 0.140 0.000 0.986 62 D CA 3.261 57.306 54.000 0.076 0.000 0.847 62 D CB -0.464 40.334 40.800 -0.004 0.000 0.942 62 D HN -0.183 8.231 8.370 0.075 0.000 0.467 63 Y N 0.353 120.710 120.300 0.094 0.000 2.133 63 Y HA -0.276 4.401 4.550 0.212 0.000 0.287 63 Y C 2.274 178.274 175.900 0.167 0.000 1.134 63 Y CA 3.377 61.567 58.100 0.151 0.000 1.133 63 Y CB -0.006 38.507 38.460 0.089 0.000 0.987 63 Y HN -0.448 7.867 8.280 0.284 0.136 0.502 64 R N -2.149 118.527 120.500 0.294 0.000 2.148 64 R HA -0.286 4.144 4.340 0.149 0.000 0.227 64 R C 2.974 179.348 176.300 0.123 0.000 1.103 64 R CA 3.252 59.447 56.100 0.159 0.000 0.983 64 R CB -0.456 29.898 30.300 0.090 0.000 0.874 64 R HN 0.154 8.582 8.270 0.264 0.000 0.451 65 T N 1.651 116.292 114.554 0.145 0.000 2.737 65 T HA -0.249 4.143 4.350 0.069 0.000 0.265 65 T C 1.545 176.322 174.700 0.127 0.000 1.038 65 T CA 3.929 66.097 62.100 0.114 0.000 1.144 65 T CB -0.061 68.876 68.868 0.115 0.000 0.866 65 T HN 0.288 8.411 8.240 0.170 0.219 0.434 66 F N 2.867 122.838 119.950 0.036 0.000 2.187 66 F HA -0.061 4.468 4.527 0.003 0.000 0.295 66 F C 0.780 176.601 175.800 0.035 0.000 1.091 66 F CA 2.481 60.493 58.000 0.019 0.000 1.308 66 F CB 0.443 39.440 39.000 -0.004 0.000 1.030 66 F HN -0.268 8.248 8.300 0.360 0.000 0.487 67 L N -2.150 119.013 121.223 -0.101 0.000 2.211 67 L HA -0.508 3.570 4.340 -0.437 0.000 0.216 67 L C 0.944 177.636 176.870 -0.297 0.000 1.092 67 L CA 2.499 57.207 54.840 -0.220 0.000 0.767 67 L CB -0.467 41.648 42.059 0.095 0.000 0.894 67 L HN 0.591 8.890 8.230 0.323 0.125 0.437 68 Q N -5.551 114.124 119.800 -0.209 0.000 2.248 68 Q HA -0.293 3.987 4.340 -0.100 0.000 0.208 68 Q C 1.061 176.912 176.000 -0.248 0.000 0.984 68 Q CA 1.294 56.997 55.803 -0.166 0.000 0.875 68 Q CB -0.257 28.409 28.738 -0.118 0.000 0.910 68 Q HN -0.418 7.740 8.270 -0.131 0.034 0.433 69 Q N -0.527 119.031 119.800 -0.404 0.000 2.524 69 Q HA 0.008 4.170 4.340 -0.297 0.000 0.246 69 Q C -1.811 174.047 176.000 -0.236 0.000 1.063 69 Q CA -1.116 54.480 55.803 -0.346 0.000 0.945 69 Q CB -0.542 27.943 28.738 -0.421 0.000 1.292 69 Q HN 0.262 8.017 8.270 -0.574 0.170 0.518 70 P HA 0.096 4.488 4.420 -0.045 0.000 0.276 70 P C -0.877 176.408 177.300 -0.026 0.000 1.243 70 P CA -0.026 63.056 63.100 -0.030 0.000 0.768 70 P CB 0.402 32.129 31.700 0.045 0.000 0.856 71 S N 3.660 119.348 115.700 -0.019 0.000 2.393 71 S HA -0.121 4.353 4.470 0.008 0.000 0.255 71 S C 1.580 176.208 174.600 0.047 0.000 1.210 71 S CA -0.026 58.179 58.200 0.009 0.000 1.013 71 S CB 0.546 63.748 63.200 0.005 0.000 1.055 71 S HN 0.018 8.314 8.310 -0.023 0.000 0.483 72 G N -0.997 107.829 108.800 0.043 0.000 2.176 72 G HA2 -0.265 3.717 3.960 0.037 0.000 0.253 72 G HA3 -0.265 3.742 3.960 0.079 0.000 0.253 72 G C -0.225 174.698 174.900 0.038 0.000 0.979 72 G CA 0.613 45.744 45.100 0.052 0.000 0.641 72 G HN 0.481 8.791 8.290 0.033 0.000 0.530 73 N N -3.164 115.555 118.700 0.032 0.000 3.644 73 N HA -0.509 4.245 4.740 0.023 0.000 0.220 73 N C -0.850 174.664 175.510 0.007 0.000 0.167 73 N CA 2.538 55.590 53.050 0.004 0.000 3.334 73 N CB -0.925 37.522 38.487 -0.066 0.000 1.186 73 N HN 0.169 8.514 8.380 0.044 0.061 0.301 74 M N -6.157 113.434 119.600 -0.015 0.000 3.122 74 M HA 0.108 4.471 4.480 -0.195 0.000 0.267 74 M C -2.422 173.799 176.300 -0.132 0.000 0.971 74 M CA 0.336 55.565 55.300 -0.119 0.000 0.788 74 M CB 2.463 35.042 32.600 -0.035 0.000 1.611 74 M HN -0.024 8.229 8.290 -0.008 0.032 0.560 75 D N -0.864 119.312 120.400 -0.372 0.000 2.592 75 D HA 0.273 4.885 4.640 -0.047 0.000 0.259 75 D C -1.146 174.987 176.300 -0.278 0.000 1.144 75 D CA -1.439 52.452 54.000 -0.181 0.000 1.080 75 D CB 3.215 44.072 40.800 0.095 0.000 1.225 75 D HN 0.242 8.082 8.370 -0.884 0.000 0.619 76 D N -2.054 118.243 120.400 -0.172 0.000 2.672 76 D HA 0.146 4.560 4.640 -0.377 0.000 0.287 76 D C -0.626 175.591 176.300 -0.138 0.000 1.559 76 D CA 0.678 54.555 54.000 -0.205 0.000 0.796 76 D CB 0.340 41.082 40.800 -0.097 0.000 1.181 76 D HN 0.143 8.467 8.370 -0.078 0.000 0.458 77 S N -0.669 114.975 115.700 -0.093 0.000 2.556 77 S HA 0.085 4.524 4.470 -0.052 0.000 0.216 77 S C 0.409 174.970 174.600 -0.064 0.000 0.970 77 S CA 0.656 58.824 58.200 -0.053 0.000 0.912 77 S CB 0.553 63.744 63.200 -0.016 0.000 0.790 77 S HN 0.065 8.500 8.310 -0.065 -0.164 0.504 78 G N -1.284 107.447 108.800 -0.115 0.000 2.245 78 G HA2 -0.184 3.699 3.960 -0.129 0.000 0.116 78 G HA3 -0.184 3.741 3.960 -0.059 0.000 0.116 78 G C -2.323 172.562 174.900 -0.026 0.000 1.054 78 G CA -0.289 44.753 45.100 -0.096 0.000 0.728 78 G HN -0.132 7.974 8.290 -0.200 0.063 0.483 79 F N -1.789 117.973 119.950 -0.314 0.000 2.672 79 F HA 0.339 4.836 4.527 -0.050 0.000 0.311 79 F C -3.300 172.337 175.800 -0.271 0.000 1.113 79 F CA -0.491 57.404 58.000 -0.176 0.000 0.996 79 F CB 1.948 40.890 39.000 -0.096 0.000 1.286 79 F HN -0.778 7.301 8.300 -0.367 0.000 0.441 80 F N 2.478 122.249 119.950 -0.298 0.000 2.556 80 F HA 0.416 4.532 4.527 -0.685 0.000 0.327 80 F C -0.652 174.932 175.800 -0.359 0.000 1.059 80 F CA -1.453 56.269 58.000 -0.463 0.000 0.953 80 F CB 3.804 42.749 39.000 -0.091 0.000 1.227 80 F HN 0.238 8.816 8.300 0.463 0.000 0.478 81 S N 0.272 115.906 115.700 -0.110 0.000 2.549 81 S HA -0.023 4.477 4.470 0.051 0.000 0.283 81 S C 1.202 175.718 174.600 -0.140 0.000 1.320 81 S CA 0.224 58.395 58.200 -0.048 0.000 1.058 81 S CB 1.044 64.222 63.200 -0.037 0.000 0.882 81 S HN 0.315 8.605 8.310 -0.034 0.000 0.498 82 I N 6.566 126.811 120.570 -0.541 0.000 2.454 82 I HA -0.341 3.004 4.170 -1.376 0.000 0.254 82 I C 1.410 177.148 176.117 -0.632 0.000 1.156 82 I CA 2.562 63.143 61.300 -1.199 0.000 1.433 82 I CB -0.266 36.453 38.000 -2.136 0.000 1.082 82 I HN 0.654 8.567 8.210 -0.495 0.000 0.432 83 Q N -1.630 117.980 119.800 -0.318 0.000 2.291 83 Q HA -0.328 3.937 4.340 -0.125 0.000 0.206 83 Q C 1.671 177.597 176.000 -0.122 0.000 0.976 83 Q CA 3.600 59.326 55.803 -0.128 0.000 0.875 83 Q CB -0.491 28.267 28.738 0.032 0.000 0.927 83 Q HN 0.256 8.357 8.270 -0.245 0.022 0.450 84 V N -1.473 118.356 119.914 -0.143 0.000 2.407 84 V HA -0.205 4.111 4.120 -0.123 -0.269 0.248 84 V C 1.565 177.545 176.094 -0.190 0.000 1.055 84 V CA 2.603 64.809 62.300 -0.156 0.000 1.049 84 V CB -0.720 30.994 31.823 -0.182 0.000 0.662 84 V HN -0.035 7.901 8.190 -0.150 0.164 0.455 85 I N 0.145 120.600 120.570 -0.191 0.000 2.315 85 I HA -0.471 3.579 4.170 -0.201 0.000 0.248 85 I C 1.826 177.871 176.117 -0.120 0.000 1.117 85 I CA 4.038 65.238 61.300 -0.167 0.000 1.404 85 I CB -0.680 37.249 38.000 -0.119 0.000 1.071 85 I HN -0.390 7.582 8.210 -0.220 0.106 0.419 86 S N 0.071 115.700 115.700 -0.120 0.000 2.356 86 S HA -0.384 4.059 4.470 -0.045 0.000 0.223 86 S C 2.039 176.634 174.600 -0.009 0.000 1.032 86 S CA 3.726 61.894 58.200 -0.054 0.000 1.005 86 S CB -0.701 62.476 63.200 -0.038 0.000 0.867 86 S HN -0.456 7.653 8.310 -0.166 0.101 0.449 87 N N 1.494 120.182 118.700 -0.020 0.000 2.120 87 N HA -0.340 4.412 4.740 0.020 0.000 0.188 87 N C 2.184 177.752 175.510 0.096 0.000 1.024 87 N CA 3.178 56.239 53.050 0.018 0.000 0.852 87 N CB -0.234 38.249 38.487 -0.007 0.000 1.003 87 N HN -0.070 8.278 8.380 -0.053 0.000 0.424 88 A N 0.204 123.078 122.820 0.090 0.000 1.968 88 A HA -0.165 4.464 4.320 0.514 0.000 0.217 88 A C 2.024 179.842 177.584 0.391 0.000 1.169 88 A CA 2.707 54.941 52.037 0.328 0.000 0.638 88 A CB -0.490 18.572 19.000 0.104 0.000 0.812 88 A HN 0.012 8.070 8.150 -0.026 0.077 0.446 89 L N -1.757 119.559 121.223 0.155 0.000 2.027 89 L HA -0.457 3.982 4.340 0.166 0.000 0.206 89 L C 2.130 179.123 176.870 0.205 0.000 1.074 89 L CA 3.342 58.269 54.840 0.146 0.000 0.745 89 L CB -0.420 41.658 42.059 0.032 0.000 0.898 89 L HN 0.427 8.470 8.230 0.056 0.220 0.433 90 K N -1.202 119.280 120.400 0.137 0.000 2.032 90 K HA -0.246 4.234 4.320 0.093 -0.105 0.209 90 K C 2.528 179.208 176.600 0.133 0.000 1.048 90 K CA 2.970 59.321 56.287 0.107 0.000 0.927 90 K CB -0.057 32.480 32.500 0.061 0.000 0.712 90 K HN 0.315 8.512 8.250 0.100 0.113 0.441 91 V N -5.804 114.214 119.914 0.174 0.000 2.970 91 V HA -0.188 3.979 4.120 0.078 0.000 0.260 91 V C 1.143 177.323 176.094 0.144 0.000 1.100 91 V CA 2.086 64.472 62.300 0.144 0.000 1.122 91 V CB -0.699 31.223 31.823 0.164 0.000 0.721 91 V HN -0.350 7.958 8.190 0.196 0.000 0.483 92 W N -0.352 120.983 121.300 0.059 0.000 2.658 92 W HA 0.032 4.708 4.660 0.027 0.000 0.263 92 W C 0.519 177.054 176.519 0.027 0.000 1.274 92 W CA 2.491 59.864 57.345 0.047 0.000 1.343 92 W CB 0.799 30.308 29.460 0.083 0.000 1.106 92 W HN -0.022 8.236 8.180 0.451 0.192 0.615 93 G N -3.096 105.830 108.800 0.211 0.000 2.796 93 G HA2 -0.236 3.771 3.960 0.079 0.000 0.198 93 G HA3 -0.236 3.797 3.960 0.121 0.000 0.198 93 G C -1.348 173.622 174.900 0.116 0.000 1.062 93 G CA -0.165 45.011 45.100 0.126 0.000 0.752 93 G HN -0.185 8.060 8.290 0.212 0.172 0.487 94 L N -1.458 119.853 121.223 0.146 0.000 2.448 94 L HA 0.282 4.669 4.340 0.078 0.000 0.258 94 L C -2.079 174.840 176.870 0.081 0.000 1.104 94 L CA -0.900 53.999 54.840 0.098 0.000 0.800 94 L CB 1.494 43.607 42.059 0.090 0.000 1.241 94 L HN -0.568 7.787 8.230 0.209 0.000 0.472 95 E N -3.458 116.773 120.200 0.051 0.000 2.312 95 E HA 0.413 4.788 4.350 0.041 0.000 0.267 95 E C -2.283 174.325 176.600 0.014 0.000 0.894 95 E CA -2.335 54.085 56.400 0.033 0.000 0.773 95 E CB 4.100 33.816 29.700 0.026 0.000 1.241 95 E HN 1.034 9.293 8.360 0.044 0.127 0.432 96 L N 2.342 123.568 121.223 0.006 0.000 2.356 96 L HA 0.478 4.943 4.340 -0.014 -0.133 0.277 96 L C -1.847 175.037 176.870 0.022 0.000 0.996 96 L CA -0.954 53.883 54.840 -0.005 0.000 0.822 96 L CB 2.153 44.190 42.059 -0.037 0.000 1.256 96 L HN -0.304 7.932 8.230 0.010 0.000 0.413 97 I N -0.101 120.477 120.570 0.013 0.000 2.969 97 I HA 0.434 4.662 4.170 0.096 0.000 0.307 97 I C -2.470 173.650 176.117 0.003 0.000 1.149 97 I CA -2.436 58.884 61.300 0.033 0.000 1.008 97 I CB 3.254 41.252 38.000 -0.004 0.000 1.232 97 I HN 0.555 8.749 8.210 -0.025 0.000 0.435 98 L N -0.157 121.057 121.223 -0.015 0.000 2.485 98 L HA -0.139 4.129 4.340 -0.302 -0.109 0.275 98 L C -0.897 175.873 176.870 -0.167 0.000 1.207 98 L CA 1.623 56.350 54.840 -0.188 0.000 0.855 98 L CB -0.105 41.805 42.059 -0.249 0.000 1.114 98 L HN -0.022 8.232 8.230 0.040 0.000 0.485 99 F N 5.230 124.924 119.950 -0.428 0.000 2.317 99 F HA -0.087 4.259 4.527 -0.302 0.000 0.290 99 F C 0.477 176.102 175.800 -0.292 0.000 1.075 99 F CA 1.185 58.965 58.000 -0.366 0.000 1.380 99 F CB 2.230 40.916 39.000 -0.524 0.000 1.093 99 F HN 0.918 8.897 8.300 -0.293 0.145 0.524 100 N N -1.365 116.922 118.700 -0.687 0.000 2.122 100 N HA -0.437 3.614 4.740 -1.148 0.000 0.199 100 N C 0.143 175.242 175.510 -0.686 0.000 1.007 100 N CA 2.595 55.070 53.050 -0.958 0.000 0.892 100 N CB -0.227 37.607 38.487 -1.088 0.000 1.050 100 N HN -0.818 7.257 8.380 -0.508 0.000 0.468 101 S N -1.817 113.649 115.700 -0.390 0.000 4.142 101 S HA -0.204 4.200 4.470 -0.111 0.000 0.497 101 S C -0.430 174.075 174.600 -0.159 0.000 1.055 101 S CA -0.306 57.802 58.200 -0.153 0.000 1.165 101 S CB 0.185 63.424 63.200 0.066 0.000 0.774 101 S HN -0.086 8.018 8.310 -0.343 -0.000 0.512 102 P HA 0.045 4.395 4.420 -0.117 0.000 0.229 102 P C 1.338 178.617 177.300 -0.035 0.000 1.160 102 P CA 1.265 64.322 63.100 -0.072 0.000 0.777 102 P CB 0.522 32.217 31.700 -0.009 0.000 0.814 103 E N 0.310 120.490 120.200 -0.033 0.000 2.046 103 E HA -0.265 4.052 4.350 -0.056 0.000 0.190 103 E C 2.466 179.028 176.600 -0.064 0.000 0.982 103 E CA 3.352 59.712 56.400 -0.068 0.000 0.800 103 E CB -0.514 29.113 29.700 -0.122 0.000 0.756 103 E HN -0.292 8.011 8.360 -0.028 0.041 0.449 104 Y N -0.263 120.016 120.300 -0.035 0.000 2.163 104 Y HA -0.375 4.183 4.550 0.013 0.000 0.288 104 Y C 2.397 178.301 175.900 0.006 0.000 1.136 104 Y CA 3.672 61.770 58.100 -0.003 0.000 1.147 104 Y CB -0.029 38.434 38.460 0.006 0.000 0.987 104 Y HN -0.308 8.058 8.280 0.144 0.000 0.509 105 Q N -1.946 117.935 119.800 0.136 0.000 2.077 105 Q HA -0.395 4.180 4.340 0.147 -0.147 0.206 105 Q C 3.014 179.053 176.000 0.066 0.000 0.989 105 Q CA 3.039 58.886 55.803 0.073 0.000 0.853 105 Q CB -0.460 28.233 28.738 -0.074 0.000 0.907 105 Q HN -0.446 7.868 8.270 0.073 0.000 0.418 106 R N 0.316 120.835 120.500 0.032 0.000 2.081 106 R HA -0.222 4.133 4.340 0.025 0.000 0.235 106 R C 2.067 178.386 176.300 0.033 0.000 1.131 106 R CA 2.771 58.885 56.100 0.023 0.000 0.960 106 R CB -0.253 30.048 30.300 0.002 0.000 0.856 106 R HN -0.404 7.769 8.270 0.014 0.106 0.436 107 L N -3.128 118.116 121.223 0.035 0.000 2.265 107 L HA -0.195 4.155 4.340 0.017 0.000 0.215 107 L C 0.523 177.437 176.870 0.072 0.000 1.117 107 L CA 2.057 56.918 54.840 0.035 0.000 0.782 107 L CB 0.353 42.413 42.059 0.001 0.000 0.914 107 L HN -0.292 7.879 8.230 0.030 0.077 0.441 108 R N -5.398 115.163 120.500 0.102 0.000 2.065 108 R HA -0.138 4.259 4.340 0.095 0.000 0.286 108 R C -2.090 174.303 176.300 0.156 0.000 0.983 108 R CA -0.220 55.946 56.100 0.111 0.000 0.533 108 R CB -2.563 27.792 30.300 0.092 0.000 1.736 108 R HN -0.203 7.968 8.270 0.110 0.164 0.345 109 I N 1.639 122.318 120.570 0.182 0.000 2.439 109 I HA 0.125 4.423 4.170 0.214 0.000 0.285 109 I C -1.967 174.321 176.117 0.284 0.000 1.021 109 I CA -1.574 59.870 61.300 0.241 0.000 1.091 109 I CB 2.678 40.852 38.000 0.290 0.000 1.242 109 I HN -0.047 8.139 8.210 0.158 0.120 0.439 110 D N 9.131 129.674 120.400 0.238 0.000 2.228 110 D HA 0.441 5.218 4.640 0.227 0.000 0.247 110 D C -1.323 175.013 176.300 0.059 0.000 0.995 110 D CA -3.051 51.056 54.000 0.179 0.000 0.903 110 D CB 2.245 43.100 40.800 0.091 0.000 1.205 110 D HN 0.336 8.823 8.370 0.195 0.000 0.459 111 P HA -0.087 3.397 4.420 -1.560 0.000 0.219 111 P C 0.829 177.424 177.300 -1.174 0.000 1.154 111 P CA 1.591 63.975 63.100 -1.193 0.000 0.826 111 P CB 0.517 31.524 31.700 -1.154 0.000 0.795 112 I N -6.402 113.876 120.570 -0.487 0.000 2.876 112 I HA -0.210 3.960 4.170 0.001 0.000 0.264 112 I C 0.419 176.721 176.117 0.307 0.000 1.204 112 I CA 1.175 62.496 61.300 0.035 0.000 1.485 112 I CB -1.325 36.781 38.000 0.175 0.000 1.103 112 I HN -0.210 7.816 8.210 -0.307 0.000 0.446 113 N N -1.822 116.952 118.700 0.123 0.000 2.348 113 N HA -0.221 4.605 4.740 0.143 0.000 0.185 113 N C 0.525 176.164 175.510 0.216 0.000 1.019 113 N CA 1.800 54.943 53.050 0.154 0.000 0.880 113 N CB -0.415 38.146 38.487 0.124 0.000 0.965 113 N HN 0.126 8.391 8.380 0.019 0.126 0.437 114 E N -2.494 117.898 120.200 0.320 0.000 2.849 114 E HA 0.073 4.588 4.350 0.276 0.000 0.257 114 E C -1.391 175.517 176.600 0.514 0.000 1.306 114 E CA -0.521 56.136 56.400 0.427 0.000 1.058 114 E CB 1.329 31.365 29.700 0.560 0.000 1.249 114 E HN -0.935 7.416 8.360 0.236 0.151 0.638 115 R N -2.971 117.770 120.500 0.401 0.000 2.412 115 R HA 0.158 4.267 4.340 -0.385 0.000 0.212 115 R C -1.257 175.093 176.300 0.084 0.000 0.878 115 R CA -0.107 55.986 56.100 -0.011 0.000 1.022 115 R CB 2.678 32.962 30.300 -0.026 0.000 1.265 115 R HN 0.393 8.899 8.270 0.394 0.000 0.620 116 S N -2.152 113.843 115.700 0.493 0.000 2.672 116 S HA 0.286 5.222 4.470 0.624 -0.092 0.291 116 S C -2.202 172.749 174.600 0.585 0.000 1.145 116 S CA -0.975 57.537 58.200 0.520 0.000 1.013 116 S CB 1.042 64.372 63.200 0.217 0.000 1.017 116 S HN -0.711 7.887 8.310 0.480 0.000 0.487 117 F N 6.784 126.927 119.950 0.321 0.000 2.561 117 F HA 0.777 5.446 4.527 0.014 -0.134 0.321 117 F C -1.626 174.259 175.800 0.141 0.000 1.065 117 F CA -1.846 56.178 58.000 0.042 0.000 0.934 117 F CB 5.059 43.860 39.000 -0.332 0.000 1.215 117 F HN 0.438 9.113 8.300 0.786 0.097 0.471 118 I N -0.653 120.011 120.570 0.157 0.000 2.608 118 I HA 0.441 4.921 4.170 0.369 -0.088 0.295 118 I C -1.760 174.616 176.117 0.431 0.000 1.049 118 I CA -1.467 60.026 61.300 0.321 0.000 1.063 118 I CB 3.401 41.507 38.000 0.176 0.000 1.248 118 I HN 0.638 8.777 8.210 -0.118 0.000 0.424 119 C N 5.612 125.187 119.300 0.459 0.000 2.634 119 C HA 0.822 5.628 4.460 0.307 -0.162 0.313 119 C C -2.177 172.992 174.990 0.299 0.000 1.198 119 C CA -3.083 56.163 59.018 0.379 0.000 1.605 119 C CB 3.274 31.265 27.740 0.419 0.000 2.196 119 C HN 0.891 9.418 8.230 0.494 0.000 0.486 120 N N 5.326 124.173 118.700 0.245 0.000 2.352 120 N HA 0.462 5.198 4.740 -0.008 0.000 0.291 120 N C -2.078 173.480 175.510 0.080 0.000 1.040 120 N CA -0.554 52.574 53.050 0.131 0.000 0.864 120 N CB 3.440 42.109 38.487 0.304 0.000 1.440 120 N HN 0.413 8.928 8.380 0.225 0.000 0.483 121 Y N 8.484 128.671 120.300 -0.189 0.000 2.402 121 Y HA 0.259 4.862 4.550 0.089 0.000 0.332 121 Y C -0.966 174.952 175.900 0.031 0.000 0.960 121 Y CA -1.532 56.575 58.100 0.013 0.000 1.228 121 Y CB 0.575 39.136 38.460 0.168 0.000 1.120 121 Y HN 0.838 8.833 8.280 -0.297 0.107 0.491 122 K N 6.161 126.579 120.400 0.029 0.000 10.881 122 K HA -0.501 3.813 4.320 -0.011 0.000 0.508 122 K C 0.076 176.523 176.600 -0.256 0.000 0.426 122 K CA 3.206 59.408 56.287 -0.142 0.000 1.827 122 K CB -1.303 31.079 32.500 -0.196 0.000 0.800 122 K HN 0.547 8.916 8.250 0.199 0.000 1.232 123 E N -0.833 119.074 120.200 -0.488 0.000 2.176 123 E HA 0.040 4.201 4.350 -0.316 0.000 0.194 123 E C -0.098 176.228 176.600 -0.457 0.000 0.947 123 E CA 0.393 56.532 56.400 -0.436 0.000 0.960 123 E CB 2.047 31.488 29.700 -0.432 0.000 1.002 123 E HN -0.082 7.777 8.360 -0.832 0.002 0.479 124 H N -0.965 117.747 119.070 -0.598 0.000 2.897 124 H HA -0.025 4.261 4.556 -0.450 0.000 0.347 124 H C -0.933 174.190 175.328 -0.342 0.000 1.068 124 H CA -0.222 55.588 56.048 -0.397 0.000 1.426 124 H CB 1.200 30.860 29.762 -0.169 0.000 1.410 124 H HN -0.261 7.709 8.280 -0.515 0.000 0.597 125 W N -0.050 120.991 121.300 -0.432 0.000 2.902 125 W HA 0.071 4.063 4.660 -1.154 -0.025 0.346 125 W C -3.304 172.844 176.519 -0.619 0.000 1.139 125 W CA -1.987 54.933 57.345 -0.709 0.000 1.139 125 W CB 2.445 31.729 29.460 -0.294 0.000 1.439 125 W HN 0.005 8.009 8.180 -0.295 0.000 0.558 126 F N -4.424 115.602 119.950 0.128 0.000 2.611 126 F HA 0.364 4.640 4.527 -0.418 0.000 0.324 126 F C -0.734 175.144 175.800 0.129 0.000 1.061 126 F CA -2.247 55.706 58.000 -0.079 0.000 0.954 126 F CB 2.208 41.236 39.000 0.047 0.000 1.301 126 F HN 0.831 8.852 8.300 -0.251 0.128 0.482 127 T N 2.227 116.895 114.554 0.189 0.000 2.779 127 T HA 0.236 4.794 4.350 0.348 0.000 0.280 127 T C -1.374 173.476 174.700 0.250 0.000 0.987 127 T CA -0.326 61.910 62.100 0.227 0.000 0.966 127 T CB 1.091 70.008 68.868 0.083 0.000 0.933 127 T HN 0.694 8.989 8.240 0.092 0.000 0.442 128 V N 5.961 126.069 119.914 0.323 0.000 2.398 128 V HA 0.438 4.917 4.120 0.339 -0.155 0.286 128 V C -1.426 174.920 176.094 0.421 0.000 1.026 128 V CA -1.787 60.744 62.300 0.384 0.000 0.868 128 V CB 0.964 33.044 31.823 0.428 0.000 0.982 128 V HN 1.266 9.553 8.190 0.341 0.108 0.443 129 R N 6.579 127.296 120.500 0.361 0.000 2.599 129 R HA 0.393 4.889 4.340 0.260 0.000 0.295 129 R C -1.749 174.630 176.300 0.132 0.000 0.963 129 R CA -1.793 54.444 56.100 0.228 0.000 0.883 129 R CB 4.244 34.596 30.300 0.086 0.000 1.171 129 R HN 0.848 9.327 8.270 0.347 0.000 0.450 130 K N 7.295 127.579 120.400 -0.193 0.000 2.262 130 K HA -0.018 4.113 4.320 -0.537 -0.133 0.288 130 K C -1.146 175.245 176.600 -0.348 0.000 1.090 130 K CA 0.113 56.050 56.287 -0.584 0.000 0.918 130 K CB 0.215 31.963 32.500 -1.254 0.000 1.139 130 K HN 0.122 8.256 8.250 -0.193 0.000 0.462 131 L N 7.048 128.090 121.223 -0.302 0.000 2.264 131 L HA 0.317 4.484 4.340 -0.289 0.000 0.289 131 L C -0.555 176.111 176.870 -0.339 0.000 1.044 131 L CA -0.495 54.119 54.840 -0.376 0.000 0.807 131 L CB 1.470 43.135 42.059 -0.657 0.000 1.192 131 L HN 0.272 8.374 8.230 -0.214 0.000 0.425 132 G N 7.893 116.542 108.800 -0.252 0.000 3.181 132 G HA2 -0.436 3.435 3.960 -0.148 0.000 0.322 132 G HA3 -0.436 3.418 3.960 -0.176 0.000 0.322 132 G C -0.224 174.575 174.900 -0.168 0.000 1.246 132 G CA 1.712 46.703 45.100 -0.183 0.000 0.989 132 G HN 0.573 8.729 8.290 -0.223 0.000 0.607 133 K N 2.626 122.940 120.400 -0.143 0.000 2.589 133 K HA 0.305 4.528 4.320 -0.163 0.000 0.198 133 K C -1.606 174.933 176.600 -0.103 0.000 1.114 133 K CA -0.866 55.349 56.287 -0.121 0.000 1.070 133 K CB 1.162 33.626 32.500 -0.060 0.000 0.860 133 K HN -0.026 8.151 8.250 -0.121 0.000 0.536 134 Q N -1.809 117.925 119.800 -0.110 0.000 2.495 134 Q HA 0.506 4.867 4.340 0.036 0.000 0.287 134 Q C -1.881 174.131 176.000 0.019 0.000 1.078 134 Q CA -2.186 53.636 55.803 0.032 0.000 0.793 134 Q CB 4.001 32.870 28.738 0.217 0.000 1.459 134 Q HN -0.400 7.668 8.270 -0.156 0.109 0.422 135 W N -1.700 119.720 121.300 0.200 0.000 2.316 135 W HA -0.063 4.814 4.660 0.184 -0.106 0.321 135 W C -0.801 175.953 176.519 0.392 0.000 1.203 135 W CA -0.333 57.140 57.345 0.213 0.000 1.214 135 W CB 1.509 31.025 29.460 0.094 0.000 1.169 135 W HN 0.339 8.812 8.180 0.487 0.000 0.561 136 F N 0.617 120.709 119.950 0.236 0.000 2.536 136 F HA 0.582 5.389 4.527 0.103 -0.219 0.322 136 F C -1.239 174.656 175.800 0.157 0.000 1.144 136 F CA -1.988 56.096 58.000 0.140 0.000 0.924 136 F CB 3.860 42.912 39.000 0.087 0.000 1.181 136 F HN 0.896 9.440 8.300 0.584 0.107 0.438 137 N N 3.619 122.400 118.700 0.135 0.000 2.520 137 N HA 0.087 4.959 4.740 0.220 0.000 0.273 137 N C -1.949 173.624 175.510 0.106 0.000 1.155 137 N CA 1.051 54.175 53.050 0.122 0.000 0.967 137 N CB 1.714 40.193 38.487 -0.014 0.000 1.092 137 N HN 0.200 8.548 8.380 -0.053 0.000 0.457 138 L N 4.045 125.331 121.223 0.106 0.000 2.436 138 L HA 0.452 4.828 4.340 0.061 0.000 0.268 138 L C -2.000 174.876 176.870 0.010 0.000 0.974 138 L CA -0.977 53.893 54.840 0.050 0.000 0.826 138 L CB 2.942 45.010 42.059 0.014 0.000 1.291 138 L HN 0.323 8.640 8.230 0.145 0.000 0.406 139 N N 3.680 122.374 118.700 -0.011 0.000 2.576 139 N HA -0.094 4.617 4.740 -0.048 0.000 0.322 139 N C -1.467 174.029 175.510 -0.024 0.000 0.629 139 N CA 1.116 54.144 53.050 -0.037 0.000 1.300 139 N CB 0.573 39.047 38.487 -0.022 0.000 1.918 139 N HN 0.541 8.925 8.380 0.008 0.000 1.665 140 S N -1.488 114.179 115.700 -0.056 0.000 1.512 140 S HA -0.021 4.455 4.470 0.010 0.000 0.155 140 S C 1.451 176.013 174.600 -0.063 0.000 0.623 140 S CA 0.713 58.898 58.200 -0.025 0.000 1.671 140 S CB -0.014 63.191 63.200 0.007 0.000 0.969 140 S HN -0.288 7.951 8.310 -0.118 0.000 0.348 141 L N 2.209 123.337 121.223 -0.158 0.000 2.275 141 L HA -0.119 4.153 4.340 -0.113 0.000 0.215 141 L C 0.297 177.038 176.870 -0.216 0.000 1.119 141 L CA 2.797 57.510 54.840 -0.212 0.000 0.790 141 L CB -0.156 41.666 42.059 -0.395 0.000 0.919 141 L HN -0.601 7.660 8.230 -0.219 -0.162 0.443 142 L N -8.779 112.321 121.223 -0.205 0.000 2.591 142 L HA 0.140 4.357 4.340 -0.204 0.000 0.228 142 L C 0.166 176.986 176.870 -0.084 0.000 1.133 142 L CA -0.864 53.876 54.840 -0.168 0.000 0.880 142 L CB -1.983 39.976 42.059 -0.166 0.000 1.033 142 L HN -0.818 7.265 8.230 -0.198 0.028 0.450 143 T N -0.830 113.696 114.554 -0.047 0.000 3.978 143 T HA -0.340 4.071 4.350 0.019 -0.050 0.339 143 T C -0.404 174.318 174.700 0.038 0.000 0.764 143 T CA 1.538 63.636 62.100 -0.003 0.000 1.874 143 T CB -0.157 68.692 68.868 -0.031 0.000 1.901 143 T HN -0.358 7.631 8.240 -0.059 0.215 0.814 144 G N -2.246 106.611 108.800 0.096 0.000 2.350 144 G HA2 -0.153 4.048 3.960 0.402 0.000 0.282 144 G HA3 -0.153 3.841 3.960 0.057 0.000 0.282 144 G C -3.393 171.622 174.900 0.191 0.000 1.314 144 G CA -0.505 44.705 45.100 0.183 0.000 0.915 144 G HN -0.430 7.869 8.290 0.076 0.037 0.499 145 P HA 0.171 4.922 4.420 0.284 -0.160 0.277 145 P C -1.672 175.513 177.300 -0.192 0.000 1.354 145 P CA -0.861 62.381 63.100 0.236 0.000 0.891 145 P CB -0.290 31.730 31.700 0.534 0.000 1.058 146 E N 5.954 125.977 120.200 -0.294 0.000 1.996 146 E HA 0.094 4.196 4.350 -0.413 0.000 0.280 146 E C -1.114 175.005 176.600 -0.802 0.000 1.092 146 E CA -1.405 54.721 56.400 -0.455 0.000 0.862 146 E CB 0.791 30.299 29.700 -0.321 0.000 1.066 146 E HN -0.410 7.863 8.360 -0.145 0.000 0.396 147 L N 7.596 128.168 121.223 -1.086 0.000 2.513 147 L HA -0.048 3.258 4.340 -1.917 -0.116 0.272 147 L C -1.159 175.429 176.870 -0.470 0.000 1.187 147 L CA 1.132 55.306 54.840 -1.109 0.000 0.895 147 L CB 0.565 42.256 42.059 -0.614 0.000 1.147 147 L HN 0.094 7.819 8.230 -0.841 0.000 0.483 148 I N 7.841 128.285 120.570 -0.211 0.000 2.382 148 I HA 0.169 4.107 4.170 -0.387 0.000 0.286 148 I C -1.230 174.963 176.117 0.127 0.000 1.002 148 I CA -1.166 60.058 61.300 -0.126 0.000 1.135 148 I CB 2.215 40.189 38.000 -0.043 0.000 1.288 148 I HN 1.278 9.348 8.210 -0.039 0.117 0.448 149 S N 5.832 121.616 115.700 0.140 0.000 2.573 149 S HA -0.225 4.365 4.470 0.199 0.000 0.277 149 S C 0.559 175.326 174.600 0.278 0.000 1.346 149 S CA 1.207 59.545 58.200 0.229 0.000 1.034 149 S CB 1.004 64.350 63.200 0.243 0.000 0.879 149 S HN 0.484 8.838 8.310 0.074 0.000 0.528 150 D N 4.077 124.629 120.400 0.253 0.000 2.182 150 D HA -0.216 4.652 4.640 0.381 0.000 0.201 150 D C 1.956 178.346 176.300 0.150 0.000 0.986 150 D CA 4.326 58.476 54.000 0.250 0.000 0.847 150 D CB -0.164 40.755 40.800 0.197 0.000 0.942 150 D HN 0.396 9.032 8.370 0.211 -0.140 0.467 151 T N -2.761 111.878 114.554 0.141 0.000 3.113 151 T HA -0.093 4.294 4.350 0.062 0.000 0.256 151 T C 0.568 175.329 174.700 0.100 0.000 1.131 151 T CA 1.099 63.253 62.100 0.089 0.000 1.074 151 T CB -0.138 68.767 68.868 0.062 0.000 0.944 151 T HN 0.062 8.385 8.240 0.155 0.009 0.516 152 Y N 2.164 122.491 120.300 0.045 0.000 2.396 152 Y HA 0.012 4.592 4.550 0.050 0.000 0.292 152 Y C 0.772 176.716 175.900 0.073 0.000 1.128 152 Y CA 1.828 59.960 58.100 0.053 0.000 1.194 152 Y CB 1.094 39.582 38.460 0.046 0.000 1.124 152 Y HN -0.156 8.079 8.280 0.298 0.223 0.543 153 L N 0.549 121.928 121.223 0.260 0.000 2.013 153 L HA -0.495 3.985 4.340 0.232 0.000 0.212 153 L C 1.170 177.971 176.870 -0.115 0.000 1.073 153 L CA 3.732 58.583 54.840 0.019 0.000 0.753 153 L CB -0.718 41.106 42.059 -0.392 0.000 0.890 153 L HN 0.874 9.131 8.230 0.235 0.114 0.432 154 A N -2.331 120.410 122.820 -0.132 0.000 1.898 154 A HA -0.243 3.931 4.320 -0.243 0.000 0.216 154 A C 2.007 179.593 177.584 0.004 0.000 1.181 154 A CA 3.235 55.197 52.037 -0.124 0.000 0.620 154 A CB -0.879 18.073 19.000 -0.079 0.000 0.819 154 A HN -0.457 7.645 8.150 -0.080 0.000 0.442 155 L N -1.372 119.885 121.223 0.057 0.000 2.083 155 L HA -0.226 4.138 4.340 0.042 0.000 0.209 155 L C 1.515 178.488 176.870 0.172 0.000 1.083 155 L CA 2.835 57.712 54.840 0.063 0.000 0.752 155 L CB -1.254 40.784 42.059 -0.035 0.000 0.899 155 L HN -0.781 7.419 8.230 0.063 0.068 0.433 156 F N 1.776 121.780 119.950 0.090 0.000 2.075 156 F HA -0.303 4.310 4.527 0.143 0.000 0.297 156 F C 1.580 177.448 175.800 0.113 0.000 1.113 156 F CA 2.162 60.245 58.000 0.140 0.000 1.218 156 F CB -0.723 38.392 39.000 0.192 0.000 0.984 156 F HN 0.667 8.995 8.300 0.403 0.214 0.472 157 L N -1.254 119.827 121.223 -0.236 0.000 2.127 157 L HA -0.402 3.592 4.340 -0.578 0.000 0.211 157 L C 2.554 179.425 176.870 0.002 0.000 1.089 157 L CA 2.475 57.146 54.840 -0.282 0.000 0.757 157 L CB -1.929 40.038 42.059 -0.154 0.000 0.899 157 L HN 0.277 8.312 8.230 -0.148 0.106 0.434 158 A N -0.697 122.163 122.820 0.067 0.000 1.898 158 A HA -0.448 3.932 4.320 0.100 0.000 0.216 158 A C 1.962 179.614 177.584 0.114 0.000 1.181 158 A CA 3.301 55.394 52.037 0.094 0.000 0.620 158 A CB -0.729 18.317 19.000 0.077 0.000 0.819 158 A HN 0.338 8.425 8.150 0.062 0.101 0.442 159 Q N -1.417 118.472 119.800 0.147 0.000 2.050 159 Q HA -0.334 4.078 4.340 0.120 0.000 0.202 159 Q C 2.779 178.886 176.000 0.177 0.000 0.980 159 Q CA 3.198 59.101 55.803 0.166 0.000 0.840 159 Q CB -0.071 28.800 28.738 0.221 0.000 0.898 159 Q HN -0.175 8.110 8.270 0.175 0.090 0.424 160 L N -2.370 118.975 121.223 0.203 0.000 2.093 160 L HA -0.248 4.225 4.340 0.221 0.000 0.208 160 L C 2.045 179.021 176.870 0.178 0.000 1.085 160 L CA 3.291 58.247 54.840 0.193 0.000 0.755 160 L CB -0.862 41.298 42.059 0.169 0.000 0.904 160 L HN 0.131 8.483 8.230 0.203 0.000 0.435 161 Q N -0.879 119.023 119.800 0.170 0.000 2.050 161 Q HA -0.346 4.242 4.340 0.413 0.000 0.202 161 Q C 2.447 178.630 176.000 0.304 0.000 0.980 161 Q CA 2.853 58.842 55.803 0.309 0.000 0.840 161 Q CB -0.038 28.819 28.738 0.197 0.000 0.898 161 Q HN 0.244 8.384 8.270 0.122 0.203 0.424 162 Q N -2.880 117.016 119.800 0.159 0.000 2.230 162 Q HA -0.255 4.101 4.340 0.027 0.000 0.202 162 Q C 1.724 177.747 176.000 0.038 0.000 0.963 162 Q CA 2.426 58.269 55.803 0.067 0.000 0.866 162 Q CB 0.389 29.161 28.738 0.057 0.000 0.931 162 Q HN 0.124 8.372 8.270 0.146 0.109 0.452 163 E N -2.736 117.515 120.200 0.084 0.000 2.208 163 E HA -0.213 4.167 4.350 0.049 0.000 0.193 163 E C 0.375 177.010 176.600 0.058 0.000 0.988 163 E CA 1.286 57.731 56.400 0.075 0.000 0.828 163 E CB 0.377 30.145 29.700 0.113 0.000 0.763 163 E HN -0.150 8.161 8.360 0.122 0.122 0.478 164 G N -1.014 107.835 108.800 0.082 0.000 3.326 164 G HA2 0.058 3.994 3.960 -0.040 0.000 0.138 164 G HA3 0.058 4.071 3.960 0.088 0.000 0.138 164 G C -2.084 172.930 174.900 0.189 0.000 1.172 164 G CA 0.003 45.136 45.100 0.056 0.000 1.485 164 G HN -0.203 8.047 8.290 0.142 0.125 0.725 165 Y N -0.779 119.502 120.300 -0.032 0.000 1.946 165 Y HA 0.042 4.645 4.550 -0.085 -0.104 0.309 165 Y C -1.954 173.868 175.900 -0.130 0.000 1.238 165 Y CA -1.266 56.782 58.100 -0.087 0.000 1.728 165 Y CB 0.017 38.414 38.460 -0.105 0.000 1.259 165 Y HN -0.015 8.387 8.280 0.203 0.000 0.375 166 S N 1.442 117.078 115.700 -0.107 0.000 2.849 166 S HA 0.201 4.419 4.470 -0.421 0.000 0.141 166 S C -2.519 171.880 174.600 -0.336 0.000 1.109 166 S CA -0.086 57.968 58.200 -0.244 0.000 1.106 166 S CB 1.223 64.413 63.200 -0.017 0.000 1.637 166 S HN -0.042 8.205 8.310 -0.106 0.000 0.457 167 I N -0.726 119.486 120.570 -0.597 0.000 2.582 167 I HA 0.822 5.128 4.170 -0.133 -0.215 0.292 167 I C -1.320 174.379 176.117 -0.697 0.000 1.066 167 I CA -1.351 59.716 61.300 -0.390 0.000 1.053 167 I CB 3.907 41.913 38.000 0.009 0.000 1.241 167 I HN -0.217 7.583 8.210 -0.683 0.000 0.421 168 F N 5.195 124.969 119.950 -0.293 0.000 2.493 168 F HA 0.439 4.970 4.527 -0.257 -0.158 0.329 168 F C -1.267 174.170 175.800 -0.606 0.000 1.126 168 F CA -1.866 55.932 58.000 -0.336 0.000 0.937 168 F CB 2.293 41.139 39.000 -0.258 0.000 1.146 168 F HN 0.855 9.166 8.300 0.212 0.116 0.442 169 V N 3.486 123.156 119.914 -0.407 0.000 2.406 169 V HA 0.042 3.534 4.120 -1.047 0.000 0.272 169 V C -1.407 174.575 176.094 -0.186 0.000 1.043 169 V CA -0.943 61.035 62.300 -0.536 0.000 0.915 169 V CB 1.857 33.476 31.823 -0.340 0.000 0.988 169 V HN 1.111 9.126 8.190 -0.232 0.037 0.466 170 V N 10.154 130.012 119.914 -0.092 0.000 2.368 170 V HA 0.070 4.289 4.120 -0.017 -0.109 0.266 170 V C -1.283 174.834 176.094 0.039 0.000 1.045 170 V CA -0.568 61.734 62.300 0.003 0.000 0.899 170 V CB -1.162 30.690 31.823 0.047 0.000 1.006 170 V HN 0.533 8.674 8.190 -0.081 0.000 0.470 171 K N 4.388 124.797 120.400 0.016 0.000 2.259 171 K HA 0.525 4.875 4.320 0.050 0.000 0.252 171 K C -0.588 176.034 176.600 0.036 0.000 0.936 171 K CA -1.672 54.632 56.287 0.027 0.000 0.810 171 K CB 2.891 35.389 32.500 -0.004 0.000 1.143 171 K HN 0.536 8.785 8.250 -0.001 0.000 0.427 172 G N 1.638 110.465 108.800 0.046 0.000 2.250 172 G HA2 -0.268 3.721 3.960 0.048 0.000 0.252 172 G HA3 -0.268 3.726 3.960 0.057 0.000 0.252 172 G C -2.407 172.527 174.900 0.057 0.000 1.325 172 G CA -0.501 44.630 45.100 0.052 0.000 1.091 172 G HN 0.062 8.381 8.290 0.048 0.000 0.476 173 D N 2.197 122.639 120.400 0.068 0.000 2.313 173 D HA 0.212 4.885 4.640 0.055 0.000 0.239 173 D C -1.261 175.090 176.300 0.085 0.000 1.142 173 D CA 0.234 54.276 54.000 0.071 0.000 0.847 173 D CB 0.511 41.357 40.800 0.077 0.000 1.082 173 D HN 0.092 8.508 8.370 0.078 0.000 0.480 174 L N 3.963 125.222 121.223 0.060 0.000 2.296 174 L HA 0.430 4.804 4.340 0.057 0.000 0.286 174 L C -1.919 174.981 176.870 0.049 0.000 1.023 174 L CA -3.908 50.960 54.840 0.047 0.000 0.812 174 L CB 1.887 43.958 42.059 0.019 0.000 1.223 174 L HN 0.161 8.419 8.230 0.046 0.000 0.421 175 P HA 0.154 4.626 4.420 0.086 0.000 0.274 175 P C -1.644 175.676 177.300 0.034 0.000 1.237 175 P CA -0.786 62.366 63.100 0.087 0.000 0.793 175 P CB 0.818 32.626 31.700 0.179 0.000 0.977 176 D N -2.057 118.366 120.400 0.038 0.000 2.253 176 D HA -0.011 4.622 4.640 -0.011 0.000 0.249 176 D C -1.328 174.988 176.300 0.028 0.000 1.049 176 D CA -0.584 53.423 54.000 0.013 0.000 0.929 176 D CB 0.942 41.748 40.800 0.010 0.000 1.176 176 D HN -0.036 8.367 8.370 0.055 0.000 0.437 177 C N -2.425 116.881 119.300 0.010 0.000 3.277 177 C HA 0.239 4.744 4.460 0.075 0.000 0.367 177 C C 0.415 175.427 174.990 0.037 0.000 1.949 177 C CA -3.216 55.825 59.018 0.040 0.000 1.428 177 C CB 3.983 31.733 27.740 0.018 0.000 2.409 177 C HN -0.293 7.929 8.230 -0.014 0.000 0.460 178 E N 0.364 120.604 120.200 0.066 0.000 2.097 178 E HA -0.398 3.977 4.350 0.042 0.000 0.196 178 E C 1.922 178.528 176.600 0.009 0.000 1.000 178 E CA 4.071 60.500 56.400 0.048 0.000 0.804 178 E CB -0.498 29.247 29.700 0.075 0.000 0.740 178 E HN 0.567 8.993 8.360 0.111 0.000 0.454 179 A N -1.579 121.237 122.820 -0.008 0.000 1.940 179 A HA -0.348 3.925 4.320 -0.078 0.000 0.219 179 A C 1.653 179.185 177.584 -0.087 0.000 1.176 179 A CA 3.175 55.168 52.037 -0.073 0.000 0.631 179 A CB -0.821 18.109 19.000 -0.116 0.000 0.814 179 A HN -0.411 7.747 8.150 0.012 -0.000 0.446 180 D N -2.997 117.366 120.400 -0.061 0.000 2.149 180 D HA -0.332 4.258 4.640 -0.083 0.000 0.198 180 D C 2.090 178.364 176.300 -0.044 0.000 0.990 180 D CA 3.398 57.364 54.000 -0.058 0.000 0.839 180 D CB -0.010 40.770 40.800 -0.033 0.000 0.948 180 D HN -0.239 7.994 8.370 -0.041 0.112 0.460 181 Q N -1.509 118.275 119.800 -0.027 0.000 2.083 181 Q HA -0.236 4.126 4.340 -0.018 -0.033 0.198 181 Q C 2.872 178.854 176.000 -0.030 0.000 0.969 181 Q CA 2.471 58.263 55.803 -0.019 0.000 0.838 181 Q CB 0.375 29.111 28.738 -0.003 0.000 0.900 181 Q HN -0.389 7.737 8.270 -0.018 0.133 0.436 182 L N -1.057 120.142 121.223 -0.041 0.000 2.131 182 L HA -0.352 3.968 4.340 -0.034 0.000 0.210 182 L C 2.317 179.150 176.870 -0.061 0.000 1.092 182 L CA 2.312 57.123 54.840 -0.049 0.000 0.759 182 L CB -0.619 41.403 42.059 -0.061 0.000 0.903 182 L HN -0.026 8.097 8.230 -0.041 0.083 0.435 183 L N -3.211 117.966 121.223 -0.077 0.000 2.042 183 L HA -0.316 3.969 4.340 -0.092 0.000 0.210 183 L C 0.578 177.417 176.870 -0.052 0.000 1.076 183 L CA 3.113 57.905 54.840 -0.080 0.000 0.749 183 L CB -0.192 41.810 42.059 -0.094 0.000 0.893 183 L HN -0.123 7.943 8.230 -0.081 0.116 0.432 184 Q N -6.764 113.012 119.800 -0.041 0.000 1.903 184 Q HA -0.020 4.304 4.340 -0.027 0.000 0.149 184 Q C -0.174 175.814 176.000 -0.021 0.000 0.581 184 Q CA -0.147 55.639 55.803 -0.029 0.000 0.869 184 Q CB 1.139 29.861 28.738 -0.027 0.000 1.030 184 Q HN -0.757 7.398 8.270 -0.041 0.091 0.269 185 M N 2.313 121.901 119.600 -0.020 0.000 2.603 185 M HA -0.270 4.204 4.480 -0.011 0.000 0.399 185 M C -0.964 175.330 176.300 -0.010 0.000 1.745 185 M CA 1.194 56.486 55.300 -0.013 0.000 1.055 185 M CB 0.040 32.633 32.600 -0.010 0.000 2.144 185 M HN 0.006 8.282 8.290 -0.023 0.000 0.483 186 I N 2.447 123.012 120.570 -0.008 0.000 2.677 186 I HA 0.032 4.198 4.170 -0.007 0.000 0.305 186 I C 1.078 177.194 176.117 -0.002 0.000 0.988 186 I CA -1.700 59.596 61.300 -0.006 0.000 1.260 186 I CB 0.210 38.206 38.000 -0.006 0.000 1.410 186 I HN 0.046 8.252 8.210 -0.008 0.000 0.523 187 R N 3.263 123.763 120.500 -0.000 0.000 2.097 187 R HA -0.271 4.072 4.340 0.005 0.000 0.236 187 R C -0.041 176.261 176.300 0.002 0.000 1.135 187 R CA 2.047 58.148 56.100 0.003 0.000 0.934 187 R CB 0.054 30.356 30.300 0.004 0.000 0.846 187 R HN 0.216 8.486 8.270 -0.001 0.000 0.431 188 V N -0.311 119.604 119.914 0.001 0.000 2.621 188 V HA -0.341 3.779 4.120 0.001 0.000 0.300 188 V C -0.654 175.440 176.094 0.000 0.000 1.031 188 V CA 1.589 63.889 62.300 0.000 0.000 1.210 188 V CB 0.020 31.842 31.823 -0.001 0.000 0.864 188 V HN -0.243 7.947 8.190 -0.000 0.000 0.477 189 Q N 5.141 124.942 119.800 0.001 0.000 1.969 189 Q HA 0.010 4.349 4.340 -0.000 0.000 0.151 189 Q C -1.081 174.919 176.000 0.001 0.000 0.644 189 Q CA -0.471 55.332 55.803 0.001 0.000 0.899 189 Q CB 0.977 29.716 28.738 0.001 0.000 1.097 189 Q HN -0.109 8.162 8.270 0.001 0.000 0.292 190 Q N 0.000 119.801 119.800 0.002 0.000 2.315 190 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 190 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 190 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 190 Q HN 0.000 8.272 8.270 0.003 0.000 0.481