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 1yub_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNKNIKYSQN FLTSEKVLNQ IIKQLNLKET DTVYEIGTGK GHLTTKLAKI DATA SEQUENCE SKQVTSIELD SHLFNLSSEK LKLNTRVTLI HQDILQFQFP NKQRYKIVGN DATA SEQUENCE IPYHLSTQII KKVVFESRAS DIYLIVEEGF YKRTLDIHRT LGLLLHTQVS DATA SEQUENCE IQQLLKLPAE CFHPKPKVNS VLIKLTRHTT DVPDKYWKLY TYFVSKWVNR DATA SEQUENCE EYRQLFTKNQ FHQAMKHAKV NNLSTITYEQ VLSIFNSYLL FNGRK 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 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 1 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 N N 0.606 119.307 118.700 0.001 0.000 2.182 2 N HA -0.273 4.468 4.740 0.002 0.000 0.192 2 N C -0.607 174.905 175.510 0.002 0.000 1.007 2 N CA 1.570 54.623 53.050 0.004 0.000 0.873 2 N CB -0.385 38.110 38.487 0.013 0.000 0.998 2 N HN 0.031 8.413 8.380 0.003 0.000 0.436 3 K N -5.404 114.997 120.400 0.001 0.000 2.235 3 K HA -0.355 3.967 4.320 0.003 0.000 0.171 3 K C -1.040 175.568 176.600 0.013 0.000 1.512 3 K CA 1.492 57.777 56.287 -0.003 0.000 0.674 3 K CB -0.805 31.679 32.500 -0.026 0.000 0.602 3 K HN -0.379 7.838 8.250 0.002 0.034 0.948 4 N N -1.128 117.569 118.700 -0.006 0.000 3.565 4 N HA -0.017 4.747 4.740 0.040 0.000 0.139 4 N C -1.994 173.451 175.510 -0.107 0.000 1.179 4 N CA 0.548 53.625 53.050 0.046 0.000 1.876 4 N CB 0.641 39.233 38.487 0.175 0.000 1.640 4 N HN 0.081 8.438 8.380 -0.039 0.000 0.702 5 I N -1.336 119.020 120.570 -0.356 0.000 2.900 5 I HA 0.117 3.950 4.170 -0.561 0.000 0.331 5 I C -1.092 174.613 176.117 -0.688 0.000 1.427 5 I CA -0.025 60.972 61.300 -0.505 0.000 0.836 5 I CB -0.000 37.869 38.000 -0.218 0.000 2.115 5 I HN -0.065 7.978 8.210 -0.278 0.000 0.578 6 K N -0.759 118.938 120.400 -1.171 0.000 3.174 6 K HA 0.205 4.300 4.320 -0.376 0.000 0.207 6 K C -1.559 174.724 176.600 -0.528 0.000 1.190 6 K CA -0.453 55.460 56.287 -0.623 0.000 1.054 6 K CB 0.524 32.839 32.500 -0.307 0.000 1.154 6 K HN -0.250 6.872 8.250 -1.880 0.000 0.495 7 Y N -0.256 120.047 120.300 0.006 0.000 3.123 7 Y HA 0.244 4.798 4.550 0.008 0.000 0.305 7 Y C 0.096 175.995 175.900 -0.003 0.000 1.560 7 Y CA -2.062 56.044 58.100 0.008 0.000 1.048 7 Y CB 0.942 39.416 38.460 0.023 0.000 1.380 7 Y HN -0.342 7.499 8.280 -0.630 0.060 0.618 8 S N 1.568 117.384 115.700 0.193 0.000 2.060 8 S HA 0.255 4.743 4.470 0.030 0.000 0.156 8 S C -1.434 173.181 174.600 0.025 0.000 1.690 8 S CA 0.131 58.371 58.200 0.067 0.000 1.238 8 S CB -0.702 62.527 63.200 0.048 0.000 1.150 8 S HN 0.062 8.526 8.310 0.257 0.000 0.437 9 Q N 0.900 120.693 119.800 -0.012 0.000 2.365 9 Q HA 0.230 4.451 4.340 -0.199 0.000 0.269 9 Q C -2.095 173.576 176.000 -0.548 0.000 1.061 9 Q CA -0.842 54.838 55.803 -0.204 0.000 0.816 9 Q CB 2.523 31.312 28.738 0.085 0.000 1.325 9 Q HN -0.259 8.023 8.270 0.020 0.000 0.446 10 N N -0.587 117.486 118.700 -1.044 0.000 2.369 10 N HA 0.123 4.591 4.740 -0.579 -0.076 0.287 10 N C -1.779 173.028 175.510 -1.171 0.000 1.067 10 N CA -0.146 52.407 53.050 -0.828 0.000 0.888 10 N CB 1.897 40.201 38.487 -0.305 0.000 1.616 10 N HN -0.159 7.550 8.380 -1.118 0.000 0.482 11 F N -0.871 119.099 119.950 0.033 0.000 2.613 11 F HA 0.300 4.787 4.527 -0.068 0.000 0.310 11 F C -0.835 174.823 175.800 -0.237 0.000 1.085 11 F CA -1.110 56.852 58.000 -0.064 0.000 0.945 11 F CB 3.219 42.204 39.000 -0.026 0.000 1.298 11 F HN 0.145 8.214 8.300 -0.219 0.100 0.455 12 L N 0.489 121.580 121.223 -0.221 0.000 2.179 12 L HA -0.099 3.446 4.340 -1.325 0.000 0.208 12 L C 0.162 176.773 176.870 -0.432 0.000 1.096 12 L CA 1.943 56.341 54.840 -0.738 0.000 0.779 12 L CB -0.012 41.603 42.059 -0.741 0.000 0.922 12 L HN 0.269 8.449 8.230 -0.083 0.000 0.443 13 T N -0.092 114.351 114.554 -0.185 0.000 3.390 13 T HA -0.231 4.055 4.350 -0.107 0.000 0.385 13 T C -0.990 173.618 174.700 -0.154 0.000 0.768 13 T CA 1.339 63.365 62.100 -0.123 0.000 1.948 13 T CB -0.579 68.270 68.868 -0.031 0.000 1.746 13 T HN -0.345 7.816 8.240 -0.098 0.020 0.630 14 S N -2.082 113.511 115.700 -0.179 0.000 2.581 14 S HA 0.228 4.648 4.470 -0.084 0.000 0.245 14 S C 0.561 175.121 174.600 -0.068 0.000 1.115 14 S CA -1.159 56.976 58.200 -0.109 0.000 1.093 14 S CB 0.347 63.492 63.200 -0.092 0.000 0.853 14 S HN -0.376 7.786 8.310 -0.215 0.019 0.479 15 E N 0.326 120.474 120.200 -0.086 0.000 2.409 15 E HA -0.246 4.066 4.350 -0.063 0.000 0.198 15 E C 0.589 177.167 176.600 -0.037 0.000 1.024 15 E CA 2.203 58.554 56.400 -0.081 0.000 0.861 15 E CB -0.169 29.435 29.700 -0.161 0.000 0.788 15 E HN 0.314 8.544 8.360 -0.104 0.067 0.521 16 K N -3.820 116.564 120.400 -0.027 0.000 2.244 16 K HA -0.097 4.223 4.320 -0.000 0.000 0.200 16 K C 1.230 177.835 176.600 0.009 0.000 1.052 16 K CA 2.036 58.319 56.287 -0.005 0.000 0.980 16 K CB -0.434 32.062 32.500 -0.006 0.000 0.838 16 K HN -0.192 7.971 8.250 -0.038 0.065 0.481 17 V N 0.412 120.333 119.914 0.011 0.000 2.229 17 V HA -0.304 3.833 4.120 0.028 0.000 0.243 17 V C 1.570 177.689 176.094 0.041 0.000 1.042 17 V CA 3.078 65.395 62.300 0.030 0.000 1.000 17 V CB -0.749 31.098 31.823 0.040 0.000 0.637 17 V HN -0.693 7.496 8.190 -0.001 0.000 0.446 18 L N -0.878 120.375 121.223 0.050 0.000 2.046 18 L HA -0.356 4.027 4.340 0.071 0.000 0.208 18 L C 2.391 179.290 176.870 0.049 0.000 1.077 18 L CA 3.094 57.972 54.840 0.063 0.000 0.747 18 L CB -1.487 40.618 42.059 0.078 0.000 0.896 18 L HN -0.449 7.808 8.230 0.045 0.000 0.432 19 N N -3.602 115.121 118.700 0.039 0.000 2.453 19 N HA -0.323 4.444 4.740 0.044 0.000 0.183 19 N C 1.781 177.308 175.510 0.029 0.000 1.041 19 N CA 2.590 55.663 53.050 0.039 0.000 0.900 19 N CB 0.166 38.680 38.487 0.045 0.000 0.961 19 N HN -0.125 8.273 8.380 0.031 0.000 0.443 20 Q N 0.451 120.268 119.800 0.028 0.000 1.969 20 Q HA -0.207 4.144 4.340 0.018 0.000 0.198 20 Q C 1.902 177.916 176.000 0.024 0.000 0.978 20 Q CA 2.503 58.319 55.803 0.023 0.000 0.830 20 Q CB -0.518 28.235 28.738 0.025 0.000 0.896 20 Q HN -0.415 7.678 8.270 0.031 0.196 0.431 21 I N -0.128 120.463 120.570 0.036 0.000 2.194 21 I HA -0.424 3.774 4.170 0.048 0.000 0.246 21 I C 1.746 177.878 176.117 0.026 0.000 1.093 21 I CA 3.024 64.353 61.300 0.047 0.000 1.355 21 I CB -0.327 37.716 38.000 0.071 0.000 1.046 21 I HN -0.729 7.505 8.210 0.040 0.000 0.413 22 I N -4.989 115.590 120.570 0.016 0.000 2.493 22 I HA -0.298 3.842 4.170 -0.050 0.000 0.254 22 I C 0.912 177.002 176.117 -0.044 0.000 1.160 22 I CA 2.869 64.156 61.300 -0.023 0.000 1.445 22 I CB -0.584 37.412 38.000 -0.007 0.000 1.086 22 I HN -0.596 7.626 8.210 0.029 0.006 0.433 23 K N -2.550 117.838 120.400 -0.020 0.000 2.418 23 K HA -0.127 4.172 4.320 -0.036 0.000 0.195 23 K C 1.218 177.801 176.600 -0.028 0.000 1.035 23 K CA 1.574 57.846 56.287 -0.024 0.000 1.003 23 K CB -0.071 32.426 32.500 -0.006 0.000 0.793 23 K HN -0.431 7.685 8.250 -0.002 0.134 0.494 24 Q N -3.357 116.430 119.800 -0.022 0.000 2.396 24 Q HA -0.078 4.254 4.340 -0.013 0.000 0.209 24 Q C 1.703 177.680 176.000 -0.037 0.000 0.906 24 Q CA 0.775 56.570 55.803 -0.014 0.000 0.927 24 Q CB 0.537 29.282 28.738 0.011 0.000 1.069 24 Q HN -0.330 7.754 8.270 -0.015 0.177 0.523 25 L N -1.487 119.682 121.223 -0.090 0.000 2.064 25 L HA -0.359 3.861 4.340 -0.201 0.000 0.216 25 L C -0.238 176.550 176.870 -0.138 0.000 1.077 25 L CA 1.538 56.256 54.840 -0.203 0.000 0.766 25 L CB -0.152 41.688 42.059 -0.364 0.000 0.890 25 L HN -0.668 7.368 8.230 -0.086 0.142 0.435 26 N N -3.229 115.410 118.700 -0.101 0.000 2.473 26 N HA -0.279 4.423 4.740 -0.064 0.000 0.298 26 N C -1.026 174.438 175.510 -0.077 0.000 1.390 26 N CA 0.701 53.709 53.050 -0.069 0.000 0.659 26 N CB -0.207 38.258 38.487 -0.037 0.000 0.968 26 N HN 0.014 8.329 8.380 -0.097 0.007 0.508 27 L N -1.213 119.959 121.223 -0.086 0.000 2.492 27 L HA 0.132 4.430 4.340 -0.070 0.000 0.263 27 L C 0.532 177.369 176.870 -0.054 0.000 1.062 27 L CA -1.058 53.735 54.840 -0.077 0.000 0.817 27 L CB 0.959 42.960 42.059 -0.098 0.000 1.441 27 L HN -0.393 7.784 8.230 -0.087 0.000 0.493 28 K N -1.379 118.992 120.400 -0.049 0.000 2.107 28 K HA 0.004 4.303 4.320 -0.035 0.000 0.211 28 K C 0.458 177.028 176.600 -0.051 0.000 1.024 28 K CA 1.097 57.359 56.287 -0.042 0.000 0.953 28 K CB 0.898 33.377 32.500 -0.036 0.000 0.831 28 K HN 0.366 8.586 8.250 -0.050 0.000 0.454 29 E N -5.848 114.316 120.200 -0.061 0.000 1.232 29 E HA -0.041 4.266 4.350 -0.072 0.000 0.212 29 E C -0.799 175.753 176.600 -0.080 0.000 1.047 29 E CA 1.317 57.676 56.400 -0.067 0.000 1.026 29 E CB 0.349 30.017 29.700 -0.054 0.000 4.760 29 E HN 0.202 8.524 8.360 -0.063 0.000 0.657 30 T N -0.782 113.723 114.554 -0.082 0.000 3.194 30 T HA -0.054 4.234 4.350 -0.103 0.000 0.251 30 T C -0.889 173.721 174.700 -0.149 0.000 1.132 30 T CA 1.177 63.213 62.100 -0.107 0.000 1.028 30 T CB -0.777 68.033 68.868 -0.097 0.000 0.976 30 T HN -0.249 7.949 8.240 -0.070 0.000 0.535 31 D N 1.687 122.014 120.400 -0.122 0.000 2.460 31 D HA 0.285 5.007 4.640 -0.184 -0.192 0.232 31 D C 0.095 176.336 176.300 -0.098 0.000 1.079 31 D CA -0.642 53.288 54.000 -0.116 0.000 0.864 31 D CB 1.392 42.157 40.800 -0.058 0.000 1.048 31 D HN -0.742 7.463 8.370 -0.099 0.106 0.523 32 T N 3.933 118.434 114.554 -0.088 0.000 2.623 32 T HA -0.256 3.967 4.350 -0.211 0.000 0.359 32 T C -0.018 174.547 174.700 -0.226 0.000 1.077 32 T CA 1.456 63.453 62.100 -0.172 0.000 1.075 32 T CB 0.372 69.166 68.868 -0.124 0.000 0.999 32 T HN 0.197 8.369 8.240 -0.113 0.000 0.548 33 V N -1.303 118.362 119.914 -0.415 0.000 2.380 33 V HA 0.378 4.573 4.120 -0.181 -0.184 0.268 33 V C -1.361 174.492 176.094 -0.402 0.000 1.008 33 V CA -1.111 61.007 62.300 -0.303 0.000 0.823 33 V CB -0.330 31.354 31.823 -0.232 0.000 1.053 33 V HN 0.108 7.953 8.190 -0.575 0.000 0.446 34 Y N 5.793 126.020 120.300 -0.121 0.000 2.301 34 Y HA 0.152 4.561 4.550 -0.234 0.000 0.325 34 Y C -0.480 175.319 175.900 -0.168 0.000 1.203 34 Y CA -0.394 57.589 58.100 -0.195 0.000 1.255 34 Y CB 2.595 40.896 38.460 -0.266 0.000 1.232 34 Y HN -0.070 8.077 8.280 -0.060 0.097 0.501 35 E N -0.525 119.662 120.200 -0.022 0.000 2.731 35 E HA 0.382 4.891 4.350 -0.031 -0.178 0.248 35 E C -1.371 175.181 176.600 -0.080 0.000 1.084 35 E CA -1.354 55.003 56.400 -0.071 0.000 0.776 35 E CB 0.294 29.907 29.700 -0.145 0.000 1.404 35 E HN 0.424 8.768 8.360 -0.026 0.000 0.395 36 I N 2.786 123.325 120.570 -0.052 0.000 2.797 36 I HA 0.014 4.136 4.170 -0.080 0.000 0.310 36 I C -0.518 175.558 176.117 -0.070 0.000 0.990 36 I CA 0.066 61.327 61.300 -0.064 0.000 1.228 36 I CB 2.249 40.227 38.000 -0.037 0.000 1.406 36 I HN 0.036 8.234 8.210 -0.020 0.000 0.534 37 G N 1.300 110.052 108.800 -0.080 0.000 2.130 37 G HA2 -0.225 3.631 3.960 -0.172 0.000 0.151 37 G HA3 -0.225 3.667 3.960 -0.113 0.000 0.151 37 G C -1.530 173.333 174.900 -0.062 0.000 1.173 37 G CA -0.056 44.977 45.100 -0.113 0.000 1.278 37 G HN -0.082 8.168 8.290 -0.067 0.000 0.479 38 T N 0.528 115.062 114.554 -0.033 0.000 2.688 38 T HA 0.435 5.062 4.350 0.027 -0.260 0.249 38 T C 0.394 175.123 174.700 0.049 0.000 0.944 38 T CA -1.374 60.738 62.100 0.019 0.000 1.058 38 T CB 2.381 71.271 68.868 0.036 0.000 1.673 38 T HN -0.231 7.985 8.240 -0.041 0.000 0.565 39 G N 0.275 109.114 108.800 0.065 0.000 3.003 39 G HA2 0.172 4.202 3.960 0.117 0.000 0.293 39 G HA3 0.172 4.174 3.960 0.071 0.000 0.293 39 G C -0.466 174.476 174.900 0.070 0.000 1.553 39 G CA 0.155 45.304 45.100 0.082 0.000 1.078 39 G HN 0.034 8.362 8.290 0.063 0.000 0.550 40 K N 5.349 125.799 120.400 0.082 0.000 1.991 40 K HA -0.049 4.314 4.320 0.071 0.000 0.208 40 K C 0.736 177.379 176.600 0.071 0.000 1.038 40 K CA -0.458 55.876 56.287 0.078 0.000 0.943 40 K CB 0.206 32.759 32.500 0.088 0.000 0.736 40 K HN 0.189 8.497 8.250 0.096 0.000 0.440 41 G N -1.170 107.684 108.800 0.090 0.000 2.325 41 G HA2 -0.165 3.800 3.960 0.008 0.000 0.214 41 G HA3 -0.165 3.842 3.960 0.077 0.000 0.214 41 G C -1.230 173.780 174.900 0.183 0.000 1.087 41 G CA -0.380 44.767 45.100 0.079 0.000 0.811 41 G HN -0.073 8.284 8.290 0.112 0.000 0.486 42 H N -1.184 117.900 119.070 0.023 0.000 3.700 42 H HA 0.078 4.640 4.556 0.009 0.000 0.401 42 H C -2.461 172.886 175.328 0.031 0.000 1.465 42 H CA 0.734 56.792 56.048 0.018 0.000 1.454 42 H CB 0.498 30.264 29.762 0.006 0.000 2.669 42 H HN -0.316 8.053 8.280 0.148 0.000 0.676 43 L N -1.936 119.314 121.223 0.045 0.000 3.153 43 L HA 0.094 4.438 4.340 0.007 0.000 0.306 43 L C -1.367 175.526 176.870 0.037 0.000 0.887 43 L CA 0.738 55.602 54.840 0.039 0.000 1.065 43 L CB 2.339 44.433 42.059 0.058 0.000 1.659 43 L HN -0.253 7.988 8.230 0.018 0.000 0.361 44 T N -3.049 111.476 114.554 -0.048 0.000 13.540 44 T HA -0.391 3.836 4.350 -0.204 0.000 0.419 44 T C 0.949 175.586 174.700 -0.106 0.000 1.443 44 T CA 3.082 65.086 62.100 -0.160 0.000 2.355 44 T CB -1.678 66.944 68.868 -0.410 0.000 2.789 44 T HN 0.315 8.524 8.240 -0.052 0.000 0.530 45 T N 1.683 116.225 114.554 -0.019 0.000 2.759 45 T HA -0.415 3.900 4.350 -0.058 0.000 0.269 45 T C 1.325 175.987 174.700 -0.063 0.000 1.042 45 T CA 3.915 65.992 62.100 -0.039 0.000 1.140 45 T CB -0.230 68.625 68.868 -0.020 0.000 0.864 45 T HN 0.217 8.467 8.240 0.080 0.038 0.455 46 K N 1.283 121.646 120.400 -0.062 0.000 2.076 46 K HA -0.122 4.163 4.320 -0.059 0.000 0.204 46 K C 2.468 179.027 176.600 -0.069 0.000 1.051 46 K CA 2.501 58.751 56.287 -0.061 0.000 0.949 46 K CB -0.484 31.986 32.500 -0.051 0.000 0.726 46 K HN -0.270 7.935 8.250 -0.054 0.012 0.443 47 L N 0.191 121.367 121.223 -0.079 0.000 2.187 47 L HA -0.253 4.034 4.340 -0.088 0.000 0.213 47 L C 0.654 177.455 176.870 -0.114 0.000 1.100 47 L CA 2.544 57.325 54.840 -0.098 0.000 0.765 47 L CB -0.449 41.543 42.059 -0.113 0.000 0.904 47 L HN -0.297 7.815 8.230 -0.074 0.073 0.437 48 A N -2.798 119.952 122.820 -0.116 0.000 1.968 48 A HA -0.247 3.985 4.320 -0.146 0.000 0.217 48 A C 1.068 178.595 177.584 -0.096 0.000 1.169 48 A CA 2.472 54.435 52.037 -0.122 0.000 0.638 48 A CB -0.738 18.190 19.000 -0.120 0.000 0.812 48 A HN -0.244 7.703 8.150 -0.109 0.137 0.446 49 K N -2.352 118.001 120.400 -0.078 0.000 2.293 49 K HA -0.226 4.059 4.320 -0.059 0.000 0.204 49 K C 1.182 177.743 176.600 -0.065 0.000 1.045 49 K CA 1.590 57.839 56.287 -0.063 0.000 0.933 49 K CB -0.525 31.943 32.500 -0.053 0.000 0.736 49 K HN -0.499 7.594 8.250 -0.077 0.111 0.463 50 I N -3.415 117.109 120.570 -0.077 0.000 2.130 50 I HA -0.329 3.802 4.170 -0.065 0.000 0.234 50 I C 0.990 177.059 176.117 -0.081 0.000 1.067 50 I CA 2.812 64.066 61.300 -0.077 0.000 1.339 50 I CB 0.459 38.404 38.000 -0.091 0.000 1.073 50 I HN -0.713 7.289 8.210 -0.085 0.157 0.405 51 S N -2.840 112.801 115.700 -0.098 0.000 2.623 51 S HA -0.006 4.411 4.470 -0.087 0.000 0.278 51 S C -0.946 173.595 174.600 -0.098 0.000 1.148 51 S CA -0.250 57.890 58.200 -0.101 0.000 1.028 51 S CB 1.606 64.732 63.200 -0.123 0.000 1.145 51 S HN -0.546 7.697 8.310 -0.111 0.000 0.523 52 K N -0.696 119.644 120.400 -0.100 0.000 2.646 52 K HA 0.120 4.391 4.320 -0.083 0.000 0.206 52 K C -1.946 174.590 176.600 -0.106 0.000 1.069 52 K CA -0.650 55.584 56.287 -0.089 0.000 1.067 52 K CB 0.553 33.012 32.500 -0.069 0.000 0.807 52 K HN 0.085 8.273 8.250 -0.104 0.000 0.482 53 Q N -1.799 117.912 119.800 -0.148 0.000 2.589 53 Q HA 0.180 4.526 4.340 -0.146 -0.094 0.245 53 Q C -2.865 172.964 176.000 -0.285 0.000 0.931 53 Q CA -0.860 54.830 55.803 -0.188 0.000 0.730 53 Q CB 2.153 30.778 28.738 -0.189 0.000 1.315 53 Q HN -0.284 7.824 8.270 -0.159 0.066 0.469 54 V N 4.633 124.402 119.914 -0.242 0.000 2.715 54 V HA 0.477 4.371 4.120 -0.377 0.000 0.310 54 V C -2.167 173.772 176.094 -0.260 0.000 1.054 54 V CA -2.711 59.419 62.300 -0.284 0.000 0.928 54 V CB 4.170 35.870 31.823 -0.205 0.000 1.007 54 V HN 0.291 8.374 8.190 -0.178 0.000 0.437 55 T N 7.736 122.123 114.554 -0.278 0.000 3.291 55 T HA 0.408 4.797 4.350 -0.182 -0.148 0.344 55 T C -2.026 172.552 174.700 -0.203 0.000 1.293 55 T CA -0.235 61.751 62.100 -0.191 0.000 1.108 55 T CB 2.741 71.553 68.868 -0.095 0.000 1.231 55 T HN 0.175 8.220 8.240 -0.326 0.000 0.474 56 S N 4.533 120.091 115.700 -0.238 0.000 2.562 56 S HA 0.452 4.850 4.470 -0.383 -0.158 0.275 56 S C 0.259 174.743 174.600 -0.194 0.000 1.281 56 S CA -2.159 55.876 58.200 -0.275 0.000 1.045 56 S CB 1.425 64.530 63.200 -0.158 0.000 0.962 56 S HN -0.108 8.074 8.310 -0.213 0.000 0.503 57 I N 3.603 124.074 120.570 -0.165 0.000 4.035 57 I HA 0.129 4.193 4.170 -0.177 0.000 0.321 57 I C -0.470 175.604 176.117 -0.072 0.000 1.289 57 I CA -0.439 60.774 61.300 -0.144 0.000 1.236 57 I CB 0.190 38.094 38.000 -0.160 0.000 1.076 57 I HN 0.003 8.260 8.210 -0.175 -0.152 0.418 58 E N -2.245 117.934 120.200 -0.034 0.000 2.393 58 E HA 0.213 4.571 4.350 0.013 0.000 0.273 58 E C -1.632 175.004 176.600 0.060 0.000 0.918 58 E CA -1.741 54.669 56.400 0.017 0.000 0.773 58 E CB 4.078 33.792 29.700 0.024 0.000 1.275 58 E HN -0.569 7.767 8.360 -0.040 0.000 0.451 59 L N -0.468 120.786 121.223 0.052 0.000 0.597 59 L HA -0.255 4.115 4.340 0.050 0.000 0.356 59 L C -2.048 174.838 176.870 0.027 0.000 1.000 59 L CA 1.513 56.380 54.840 0.044 0.000 1.223 59 L CB 0.030 42.106 42.059 0.028 0.000 0.012 59 L HN 0.438 8.698 8.230 0.050 0.000 0.096 60 D N -0.478 119.937 120.400 0.025 0.000 2.643 60 D HA 0.186 4.806 4.640 -0.033 0.000 0.244 60 D C -0.159 176.085 176.300 -0.094 0.000 1.257 60 D CA 0.125 54.143 54.000 0.029 0.000 0.831 60 D CB 0.275 41.219 40.800 0.241 0.000 1.043 60 D HN 0.231 8.623 8.370 0.037 0.000 0.488 61 S N -1.590 113.958 115.700 -0.253 0.000 2.634 61 S HA 0.071 4.429 4.470 -0.186 0.000 0.221 61 S C -0.666 173.564 174.600 -0.617 0.000 0.952 61 S CA 0.805 58.781 58.200 -0.374 0.000 0.930 61 S CB 0.248 63.212 63.200 -0.393 0.000 0.780 61 S HN 0.222 8.303 8.310 -0.251 0.078 0.498 62 H N -2.098 116.792 119.070 -0.300 0.000 2.737 62 H HA 0.147 4.556 4.556 -0.246 0.000 0.358 62 H C 0.486 175.452 175.328 -0.604 0.000 1.187 62 H CA -0.490 55.356 56.048 -0.338 0.000 1.221 62 H CB 2.549 32.153 29.762 -0.263 0.000 1.799 62 H HN -0.684 7.269 8.280 -0.391 0.092 0.568 63 L N -2.154 118.900 121.223 -0.283 0.000 3.588 63 L HA -0.405 3.843 4.340 -0.155 0.000 0.094 63 L C -0.702 176.055 176.870 -0.188 0.000 4.360 63 L CA 2.512 57.148 54.840 -0.341 0.000 0.640 63 L CB -1.406 40.268 42.059 -0.643 0.000 3.512 63 L HN 0.310 8.475 8.230 -0.108 0.000 0.900 64 F N -3.425 116.540 119.950 0.025 0.000 2.748 64 F HA -0.092 4.442 4.527 0.011 0.000 0.299 64 F C 1.067 176.863 175.800 -0.007 0.000 1.154 64 F CA -0.403 57.603 58.000 0.010 0.000 1.446 64 F CB -0.222 38.787 39.000 0.015 0.000 1.112 64 F HN -0.406 6.776 8.300 -1.787 0.046 0.584 65 N N -0.739 117.954 118.700 -0.011 0.000 2.439 65 N HA -0.072 4.676 4.740 0.012 0.000 0.176 65 N C -0.563 174.932 175.510 -0.026 0.000 1.029 65 N CA 0.300 53.333 53.050 -0.027 0.000 0.886 65 N CB 0.809 39.229 38.487 -0.112 0.000 1.057 65 N HN -0.120 8.071 8.380 -0.154 0.096 0.437 66 L N 1.481 122.684 121.223 -0.033 0.000 2.771 66 L HA -0.174 4.145 4.340 -0.035 0.000 0.278 66 L C -0.759 176.103 176.870 -0.013 0.000 1.175 66 L CA 0.369 55.193 54.840 -0.027 0.000 0.973 66 L CB 0.131 42.172 42.059 -0.031 0.000 1.286 66 L HN -0.365 7.833 8.230 -0.054 0.000 0.481 67 S N 7.661 123.348 115.700 -0.022 0.000 2.870 67 S HA -0.223 4.245 4.470 -0.005 0.000 0.334 67 S C -0.229 174.367 174.600 -0.008 0.000 1.115 67 S CA 1.324 59.516 58.200 -0.013 0.000 1.570 67 S CB -1.304 61.883 63.200 -0.022 0.000 1.405 67 S HN 0.459 8.748 8.310 -0.034 0.000 0.605 68 S N 1.699 117.401 115.700 0.003 0.000 3.798 68 S HA -0.315 4.163 4.470 0.013 0.000 0.351 68 S C -0.697 173.900 174.600 -0.006 0.000 0.789 68 S CA 1.404 59.606 58.200 0.004 0.000 1.322 68 S CB -0.136 63.066 63.200 0.002 0.000 1.663 68 S HN 0.002 8.316 8.310 0.012 0.003 0.521 69 E N 3.425 123.621 120.200 -0.007 0.000 2.905 69 E HA -0.307 4.027 4.350 -0.026 0.000 0.240 69 E C 0.923 177.512 176.600 -0.018 0.000 0.990 69 E CA 1.091 57.480 56.400 -0.018 0.000 0.954 69 E CB 0.570 30.259 29.700 -0.019 0.000 0.908 69 E HN 0.219 8.579 8.360 0.001 0.000 0.532 70 K N 4.970 125.357 120.400 -0.022 0.000 2.442 70 K HA -0.275 4.036 4.320 -0.016 0.000 0.198 70 K C 0.517 177.104 176.600 -0.021 0.000 1.044 70 K CA 2.326 58.600 56.287 -0.020 0.000 0.948 70 K CB -0.265 32.222 32.500 -0.023 0.000 0.762 70 K HN 0.524 8.759 8.250 -0.026 0.000 0.472 71 L N -2.207 119.001 121.223 -0.025 0.000 2.777 71 L HA 0.045 4.369 4.340 -0.026 0.000 0.244 71 L C -0.784 176.074 176.870 -0.019 0.000 1.235 71 L CA -0.483 54.341 54.840 -0.026 0.000 1.062 71 L CB -1.797 40.242 42.059 -0.034 0.000 1.340 71 L HN -0.386 7.747 8.230 -0.028 0.081 0.439 72 K N -1.974 118.417 120.400 -0.014 0.000 3.349 72 K HA -0.296 4.019 4.320 -0.007 0.000 0.310 72 K C -0.498 176.098 176.600 -0.007 0.000 1.267 72 K CA 0.885 57.167 56.287 -0.009 0.000 0.920 72 K CB -0.774 31.721 32.500 -0.010 0.000 1.240 72 K HN -0.626 7.495 8.250 -0.014 0.120 0.453 73 L N -1.532 119.686 121.223 -0.009 0.000 3.943 73 L HA -0.445 4.146 4.340 -0.010 -0.257 0.529 73 L C -0.855 176.014 176.870 -0.001 0.000 1.173 73 L CA 0.965 55.803 54.840 -0.004 0.000 0.737 73 L CB -1.019 41.043 42.059 0.005 0.000 1.321 73 L HN -0.360 7.787 8.230 -0.013 0.075 0.794 74 N N -0.669 118.027 118.700 -0.007 0.000 2.453 74 N HA 0.212 4.954 4.740 0.002 0.000 0.267 74 N C -0.969 174.535 175.510 -0.010 0.000 1.482 74 N CA -0.105 52.942 53.050 -0.004 0.000 0.841 74 N CB 1.483 39.968 38.487 -0.003 0.000 1.408 74 N HN 0.082 8.453 8.380 -0.014 0.000 0.490 75 T N -0.639 113.904 114.554 -0.019 0.000 2.292 75 T HA 0.186 4.522 4.350 -0.024 0.000 0.205 75 T C -0.296 174.386 174.700 -0.030 0.000 0.863 75 T CA -0.560 61.523 62.100 -0.029 0.000 1.243 75 T CB 1.440 70.281 68.868 -0.044 0.000 3.036 75 T HN -0.583 7.646 8.240 -0.019 0.000 0.446 76 R N 1.514 121.983 120.500 -0.052 0.000 2.937 76 R HA 0.293 4.614 4.340 -0.032 0.000 0.264 76 R C -1.786 174.467 176.300 -0.079 0.000 1.334 76 R CA -2.134 53.931 56.100 -0.057 0.000 1.516 76 R CB -1.825 28.431 30.300 -0.073 0.000 1.187 76 R HN -0.150 8.080 8.270 -0.066 0.000 0.609 77 V N 4.487 124.370 119.914 -0.051 0.000 2.334 77 V HA 0.840 5.197 4.120 -0.097 -0.294 0.281 77 V C -0.191 175.882 176.094 -0.034 0.000 1.016 77 V CA -1.600 60.664 62.300 -0.059 0.000 0.832 77 V CB 0.876 32.677 31.823 -0.035 0.000 0.999 77 V HN -0.304 7.869 8.190 -0.027 0.000 0.439 78 T N 9.250 123.764 114.554 -0.066 0.000 2.916 78 T HA 0.273 4.640 4.350 0.029 0.000 0.305 78 T C -2.223 172.419 174.700 -0.096 0.000 1.119 78 T CA -1.064 61.013 62.100 -0.039 0.000 1.008 78 T CB 3.847 72.682 68.868 -0.056 0.000 1.129 78 T HN -0.108 8.069 8.240 -0.106 0.000 0.480 79 L N 3.920 125.117 121.223 -0.043 0.000 2.313 79 L HA 0.196 4.399 4.340 -0.230 0.000 0.283 79 L C -1.122 175.583 176.870 -0.276 0.000 1.013 79 L CA -1.050 53.688 54.840 -0.170 0.000 0.816 79 L CB 1.739 43.725 42.059 -0.121 0.000 1.236 79 L HN 0.250 8.531 8.230 0.084 0.000 0.419 80 I N 3.396 123.736 120.570 -0.383 0.000 2.783 80 I HA 0.151 4.386 4.170 0.109 0.000 0.312 80 I C -1.423 174.356 176.117 -0.563 0.000 0.988 80 I CA -1.111 60.042 61.300 -0.244 0.000 1.182 80 I CB 1.691 39.596 38.000 -0.158 0.000 1.368 80 I HN -0.358 7.657 8.210 -0.325 0.000 0.511 81 H N 3.884 123.103 119.070 0.249 0.000 2.924 81 H HA 0.291 4.924 4.556 0.128 0.000 0.333 81 H C -1.072 174.331 175.328 0.126 0.000 0.979 81 H CA -0.504 55.636 56.048 0.154 0.000 1.326 81 H CB 0.529 30.371 29.762 0.132 0.000 1.600 81 H HN 0.181 8.698 8.280 0.396 0.000 0.520 82 Q N 2.983 122.890 119.800 0.178 0.000 0.780 82 Q HA -0.322 4.079 4.340 0.102 0.000 0.279 82 Q C -1.693 174.380 176.000 0.121 0.000 1.071 82 Q CA -0.049 55.829 55.803 0.125 0.000 0.548 82 Q CB -0.975 27.828 28.738 0.108 0.000 4.943 82 Q HN 0.339 8.698 8.270 0.147 0.000 0.362 83 D N 1.060 121.517 120.400 0.094 0.000 2.795 83 D HA -0.156 4.534 4.640 0.083 0.000 0.221 83 D C -0.836 175.562 176.300 0.163 0.000 1.108 83 D CA 1.418 55.474 54.000 0.095 0.000 0.832 83 D CB 0.334 41.168 40.800 0.057 0.000 1.183 83 D HN 0.106 8.520 8.370 0.074 0.000 0.503 84 I N 0.724 121.389 120.570 0.159 0.000 2.412 84 I HA -0.040 4.371 4.170 0.402 0.000 0.300 84 I C -0.293 175.935 176.117 0.186 0.000 0.466 84 I CA -0.468 60.959 61.300 0.212 0.000 3.225 84 I CB 1.316 39.363 38.000 0.077 0.000 1.540 84 I HN -0.316 7.964 8.210 0.117 0.000 0.543 85 L N -3.261 118.066 121.223 0.172 0.000 3.566 85 L HA -0.584 4.137 4.340 0.635 0.000 0.053 85 L C 1.716 178.770 176.870 0.305 0.000 4.298 85 L CA 2.654 57.684 54.840 0.318 0.000 0.730 85 L CB -1.753 40.393 42.059 0.145 0.000 3.468 85 L HN -0.143 8.156 8.230 0.115 0.000 0.746 86 Q N -1.818 118.089 119.800 0.179 0.000 2.466 86 Q HA -0.204 4.217 4.340 0.135 0.000 0.210 86 Q C 0.065 176.191 176.000 0.211 0.000 0.961 86 Q CA 0.938 56.829 55.803 0.147 0.000 0.953 86 Q CB 0.073 28.861 28.738 0.084 0.000 1.011 86 Q HN -0.027 8.323 8.270 0.141 0.004 0.516 87 F N -1.474 118.483 119.950 0.012 0.000 2.559 87 F HA 0.161 4.688 4.527 -0.000 0.000 0.286 87 F C 0.211 175.976 175.800 -0.059 0.000 1.108 87 F CA 0.734 58.725 58.000 -0.014 0.000 1.436 87 F CB 1.172 40.166 39.000 -0.010 0.000 1.130 87 F HN -0.395 7.822 8.300 0.266 0.243 0.584 88 Q N -0.515 119.125 119.800 -0.267 0.000 2.514 88 Q HA -0.076 3.934 4.340 -0.551 0.000 0.208 88 Q C 0.492 176.188 176.000 -0.507 0.000 0.938 88 Q CA 0.271 55.739 55.803 -0.558 0.000 0.892 88 Q CB 1.240 29.496 28.738 -0.803 0.000 1.050 88 Q HN -0.791 7.409 8.270 -0.117 0.000 0.595 89 F N 1.750 121.430 119.950 -0.451 0.000 2.292 89 F HA -0.145 3.985 4.527 -0.662 0.000 0.369 89 F C -1.043 174.587 175.800 -0.283 0.000 1.045 89 F CA 0.465 58.194 58.000 -0.452 0.000 0.937 89 F CB -1.328 37.472 39.000 -0.333 0.000 0.852 89 F HN -0.491 7.444 8.300 -0.608 0.000 0.521 90 P HA 0.085 4.521 4.420 0.027 0.000 0.338 90 P C -1.593 175.714 177.300 0.012 0.000 1.308 90 P CA -0.943 62.153 63.100 -0.006 0.000 0.753 90 P CB 1.436 33.202 31.700 0.110 0.000 1.579 91 N N -2.566 116.228 118.700 0.157 0.000 2.494 91 N HA 0.083 4.960 4.740 0.229 0.000 0.270 91 N C -0.733 174.955 175.510 0.297 0.000 1.285 91 N CA -0.594 52.584 53.050 0.214 0.000 0.812 91 N CB 2.720 41.274 38.487 0.111 0.000 1.557 91 N HN -0.033 8.455 8.380 0.180 0.000 0.487 92 K N -1.121 119.442 120.400 0.272 0.000 6.766 92 K HA -0.334 4.048 4.320 0.103 0.000 0.584 92 K C -1.215 175.421 176.600 0.060 0.000 2.569 92 K CA 0.616 56.989 56.287 0.144 0.000 2.020 92 K CB 0.101 32.658 32.500 0.095 0.000 2.476 92 K HN 0.308 8.719 8.250 0.268 0.000 0.221 93 Q N -3.300 116.456 119.800 -0.073 0.000 0.503 93 Q HA -0.445 3.794 4.340 -0.169 0.000 0.264 93 Q C -1.857 173.826 176.000 -0.527 0.000 1.087 93 Q CA 1.209 56.860 55.803 -0.253 0.000 0.390 93 Q CB 0.201 28.780 28.738 -0.265 0.000 5.367 93 Q HN 0.079 8.332 8.270 -0.028 0.000 0.311 94 R N -3.956 116.148 120.500 -0.660 0.000 2.854 94 R HA 0.711 4.717 4.340 -0.555 0.000 0.271 94 R C -0.882 174.884 176.300 -0.889 0.000 0.996 94 R CA -1.837 53.877 56.100 -0.643 0.000 0.961 94 R CB 2.789 32.950 30.300 -0.231 0.000 1.182 94 R HN -0.399 7.571 8.270 -0.501 0.000 0.479 95 Y N -3.387 116.952 120.300 0.066 0.000 2.644 95 Y HA 0.136 4.735 4.550 0.016 -0.040 0.338 95 Y C -2.200 173.742 175.900 0.070 0.000 1.119 95 Y CA -1.335 56.810 58.100 0.075 0.000 1.060 95 Y CB 3.384 41.959 38.460 0.192 0.000 1.294 95 Y HN 0.521 8.804 8.280 0.067 0.037 0.472 96 K N 2.035 122.567 120.400 0.221 0.000 2.646 96 K HA 0.541 5.218 4.320 0.164 -0.259 0.210 96 K C -1.068 175.621 176.600 0.149 0.000 1.020 96 K CA -1.746 54.616 56.287 0.124 0.000 1.040 96 K CB 1.040 33.528 32.500 -0.020 0.000 1.253 96 K HN 0.158 8.425 8.250 0.203 0.105 0.532 97 I N 2.296 123.007 120.570 0.235 0.000 2.243 97 I HA 0.057 4.490 4.170 0.246 -0.115 0.297 97 I C -1.080 175.140 176.117 0.173 0.000 1.161 97 I CA -0.675 60.761 61.300 0.228 0.000 1.298 97 I CB -1.339 36.816 38.000 0.260 0.000 1.475 97 I HN -0.067 8.300 8.210 0.262 0.000 0.561 98 V N 8.444 128.420 119.914 0.103 0.000 2.304 98 V HA 0.387 4.840 4.120 0.191 -0.218 0.262 98 V C -0.506 175.621 176.094 0.055 0.000 1.061 98 V CA -0.703 61.655 62.300 0.096 0.000 0.872 98 V CB -0.457 31.365 31.823 -0.002 0.000 1.077 98 V HN 0.250 8.478 8.190 0.063 0.000 0.480 99 G N 7.133 115.968 108.800 0.059 0.000 2.612 99 G HA2 0.617 4.567 3.960 -0.007 0.000 0.298 99 G HA3 0.617 4.690 3.960 -0.010 -0.119 0.298 99 G C -2.492 172.394 174.900 -0.023 0.000 1.336 99 G CA -1.430 43.672 45.100 0.003 0.000 0.953 99 G HN 0.249 8.592 8.290 0.089 0.000 0.482 100 N N 0.623 119.287 118.700 -0.059 0.000 2.443 100 N HA 0.474 5.321 4.740 -0.057 -0.141 0.294 100 N C -1.728 173.625 175.510 -0.261 0.000 1.289 100 N CA -1.078 51.911 53.050 -0.102 0.000 0.966 100 N CB 2.533 40.987 38.487 -0.056 0.000 1.122 100 N HN -0.131 8.216 8.380 -0.055 0.000 0.569 101 I N -1.833 118.480 120.570 -0.429 0.000 2.447 101 I HA 0.482 4.327 4.170 -0.542 0.000 0.287 101 I C -2.067 173.332 176.117 -1.197 0.000 1.023 101 I CA -4.014 56.886 61.300 -0.667 0.000 1.083 101 I CB 2.753 40.336 38.000 -0.694 0.000 1.245 101 I HN -0.582 7.416 8.210 -0.353 0.000 0.434 102 P HA -0.136 3.907 4.420 -0.629 0.000 0.222 102 P C -0.769 176.105 177.300 -0.710 0.000 1.142 102 P CA 1.382 64.025 63.100 -0.762 0.000 0.788 102 P CB -0.105 31.198 31.700 -0.661 0.000 0.767 103 Y N -8.340 111.857 120.300 -0.171 0.000 4.936 103 Y HA -0.339 4.175 4.550 -0.059 0.000 0.266 103 Y C -0.846 175.064 175.900 0.017 0.000 0.909 103 Y CA 0.862 58.934 58.100 -0.047 0.000 1.828 103 Y CB -2.990 35.488 38.460 0.031 0.000 1.283 103 Y HN 0.414 8.200 8.280 -0.718 0.064 0.511 104 H N -4.132 114.974 119.070 0.061 0.000 3.398 104 H HA 0.171 4.779 4.556 0.088 0.000 0.260 104 H C -0.954 174.391 175.328 0.028 0.000 1.189 104 H CA -0.083 56.002 56.048 0.062 0.000 1.145 104 H CB 1.517 31.314 29.762 0.057 0.000 1.599 104 H HN -0.206 7.670 8.280 -0.555 0.072 0.615 105 L N -3.174 117.807 121.223 -0.405 0.000 3.976 105 L HA 0.110 4.414 4.340 -0.059 0.000 0.253 105 L C -2.399 174.298 176.870 -0.288 0.000 1.011 105 L CA 1.245 55.958 54.840 -0.212 0.000 1.069 105 L CB 0.946 42.979 42.059 -0.043 0.000 1.791 105 L HN -0.783 7.115 8.230 -0.552 0.000 0.481 106 S N 0.609 116.218 115.700 -0.151 0.000 2.338 106 S HA 0.006 4.386 4.470 -0.150 0.000 0.144 106 S C 0.733 175.301 174.600 -0.053 0.000 0.669 106 S CA 1.306 59.407 58.200 -0.165 0.000 1.465 106 S CB 1.084 64.085 63.200 -0.332 0.000 0.950 106 S HN 0.281 8.553 8.310 -0.062 0.000 0.294 107 T N 4.146 118.730 114.554 0.050 0.000 2.792 107 T HA -0.327 4.138 4.350 0.192 0.000 0.268 107 T C 1.690 176.407 174.700 0.029 0.000 1.059 107 T CA 3.205 65.378 62.100 0.122 0.000 1.136 107 T CB -0.275 68.689 68.868 0.160 0.000 0.846 107 T HN 0.159 8.440 8.240 0.068 0.000 0.489 108 Q N 0.158 119.964 119.800 0.010 0.000 2.016 108 Q HA -0.221 4.126 4.340 0.012 0.000 0.200 108 Q C 2.264 178.236 176.000 -0.047 0.000 0.978 108 Q CA 3.322 59.122 55.803 -0.004 0.000 0.833 108 Q CB -0.407 28.334 28.738 0.005 0.000 0.895 108 Q HN 0.138 8.377 8.270 0.010 0.037 0.427 109 I N -0.318 120.217 120.570 -0.058 0.000 2.179 109 I HA -0.494 3.599 4.170 -0.127 0.000 0.242 109 I C 1.839 177.812 176.117 -0.240 0.000 1.088 109 I CA 3.594 64.827 61.300 -0.112 0.000 1.357 109 I CB -0.292 37.705 38.000 -0.006 0.000 1.051 109 I HN -0.558 7.627 8.210 -0.041 0.000 0.409 110 I N -2.827 117.654 120.570 -0.149 0.000 2.700 110 I HA -0.481 3.555 4.170 -0.225 0.000 0.261 110 I C 1.780 177.757 176.117 -0.234 0.000 1.219 110 I CA 3.163 64.362 61.300 -0.170 0.000 1.463 110 I CB -0.942 37.039 38.000 -0.032 0.000 1.092 110 I HN -0.129 8.031 8.210 -0.084 0.000 0.452 111 K N 0.298 120.587 120.400 -0.184 0.000 2.021 111 K HA -0.256 3.857 4.320 -0.346 0.000 0.205 111 K C 1.784 178.320 176.600 -0.107 0.000 1.047 111 K CA 3.004 59.187 56.287 -0.174 0.000 0.943 111 K CB -0.090 32.419 32.500 0.014 0.000 0.725 111 K HN -0.364 7.596 8.250 -0.131 0.211 0.439 112 K N -0.623 119.707 120.400 -0.116 0.000 2.031 112 K HA -0.256 4.110 4.320 0.076 0.000 0.205 112 K C 2.241 178.649 176.600 -0.320 0.000 1.049 112 K CA 3.358 59.573 56.287 -0.119 0.000 0.939 112 K CB 0.059 32.456 32.500 -0.171 0.000 0.717 112 K HN -0.596 7.564 8.250 -0.151 0.000 0.438 113 V N -0.695 118.809 119.914 -0.682 0.000 2.407 113 V HA -0.291 3.343 4.120 -0.809 0.000 0.248 113 V C 0.904 176.743 176.094 -0.426 0.000 1.055 113 V CA 3.189 64.966 62.300 -0.871 0.000 1.049 113 V CB -0.199 30.678 31.823 -1.577 0.000 0.662 113 V HN -0.069 7.668 8.190 -0.754 0.000 0.455 114 V N -1.732 117.949 119.914 -0.389 0.000 3.461 114 V HA -0.171 3.787 4.120 -0.269 0.000 0.267 114 V C -0.245 175.623 176.094 -0.377 0.000 1.186 114 V CA 1.235 63.322 62.300 -0.355 0.000 1.154 114 V CB -1.437 30.144 31.823 -0.404 0.000 0.802 114 V HN -0.592 7.334 8.190 -0.423 0.010 0.474 115 F N -0.893 118.901 119.950 -0.261 0.000 2.582 115 F HA 0.339 4.914 4.527 -0.328 -0.245 0.290 115 F C 1.554 177.219 175.800 -0.226 0.000 1.115 115 F CA 0.644 58.479 58.000 -0.275 0.000 1.445 115 F CB 1.298 40.137 39.000 -0.268 0.000 1.126 115 F HN -0.527 7.460 8.300 -0.180 0.205 0.574 116 E N -3.999 116.197 120.200 -0.007 0.000 2.679 116 E HA 0.098 4.437 4.350 -0.019 0.000 0.221 116 E C -1.143 175.432 176.600 -0.043 0.000 0.928 116 E CA -0.514 55.868 56.400 -0.030 0.000 1.296 116 E CB 2.808 32.485 29.700 -0.039 0.000 1.235 116 E HN -0.042 8.278 8.360 -0.066 0.000 0.622 117 S N -1.759 113.885 115.700 -0.092 0.000 2.681 117 S HA 0.022 4.455 4.470 -0.061 0.000 0.270 117 S C -0.880 173.727 174.600 0.012 0.000 1.209 117 S CA -0.433 57.717 58.200 -0.084 0.000 0.988 117 S CB 1.153 64.254 63.200 -0.165 0.000 1.006 117 S HN -0.401 7.723 8.310 -0.141 0.100 0.558 118 R N 0.051 120.632 120.500 0.135 0.000 2.776 118 R HA 0.360 4.804 4.340 0.174 0.000 0.391 118 R C 0.384 176.987 176.300 0.505 0.000 1.116 118 R CA -2.048 54.243 56.100 0.318 0.000 1.056 118 R CB -0.805 29.734 30.300 0.398 0.000 1.369 118 R HN 0.322 8.605 8.270 0.021 0.000 0.590 119 A N 1.916 124.931 122.820 0.325 0.000 1.882 119 A HA -0.341 4.371 4.320 0.654 0.000 0.220 119 A C 0.915 178.708 177.584 0.348 0.000 1.253 119 A CA 2.867 55.154 52.037 0.417 0.000 0.664 119 A CB -0.240 18.882 19.000 0.204 0.000 0.838 119 A HN 0.507 8.666 8.150 0.120 0.062 0.460 120 S N -6.060 109.762 115.700 0.203 0.000 1.537 120 S HA -0.370 4.371 4.470 0.132 -0.192 0.241 120 S C -1.679 173.015 174.600 0.158 0.000 0.763 120 S CA 2.108 60.401 58.200 0.155 0.000 1.304 120 S CB 0.012 63.293 63.200 0.135 0.000 1.584 120 S HN -0.155 8.244 8.310 0.148 0.000 0.514 121 D N 1.510 122.028 120.400 0.198 0.000 2.404 121 D HA 0.338 5.142 4.640 0.273 0.000 0.267 121 D C -1.888 174.611 176.300 0.332 0.000 1.194 121 D CA -0.711 53.450 54.000 0.268 0.000 0.910 121 D CB 0.825 41.759 40.800 0.224 0.000 1.090 121 D HN -0.482 7.915 8.370 0.218 0.104 0.511 122 I N 1.959 122.693 120.570 0.275 0.000 2.339 122 I HA 0.235 4.709 4.170 0.288 -0.131 0.290 122 I C -3.075 173.210 176.117 0.279 0.000 0.994 122 I CA -1.415 60.040 61.300 0.258 0.000 1.191 122 I CB 2.196 40.268 38.000 0.121 0.000 1.343 122 I HN -0.095 8.220 8.210 0.175 0.000 0.458 123 Y N 7.761 128.088 120.300 0.046 0.000 2.356 123 Y HA 0.377 5.126 4.550 0.036 -0.178 0.334 123 Y C -1.524 174.395 175.900 0.032 0.000 0.958 123 Y CA -1.947 56.174 58.100 0.035 0.000 1.196 123 Y CB 1.250 39.725 38.460 0.024 0.000 1.137 123 Y HN -0.010 8.428 8.280 0.447 0.111 0.485 124 L N 5.146 126.430 121.223 0.103 0.000 2.262 124 L HA 0.722 5.375 4.340 0.054 -0.281 0.288 124 L C -1.389 175.525 176.870 0.073 0.000 1.035 124 L CA -2.034 52.850 54.840 0.073 0.000 0.820 124 L CB 2.473 44.582 42.059 0.084 0.000 1.204 124 L HN -0.233 8.015 8.230 0.030 0.000 0.424 125 I N 7.535 128.141 120.570 0.059 0.000 2.301 125 I HA 0.400 4.779 4.170 0.089 -0.155 0.292 125 I C -1.220 174.950 176.117 0.089 0.000 1.046 125 I CA -0.701 60.648 61.300 0.081 0.000 1.282 125 I CB -0.580 37.474 38.000 0.089 0.000 1.409 125 I HN 0.112 8.235 8.210 0.040 0.112 0.484 126 V N 1.543 121.542 119.914 0.142 0.000 3.141 126 V HA 0.553 4.886 4.120 0.355 0.000 0.312 126 V C -2.332 173.899 176.094 0.228 0.000 1.157 126 V CA -3.677 58.771 62.300 0.247 0.000 1.041 126 V CB 3.699 35.646 31.823 0.208 0.000 1.071 126 V HN -0.092 8.179 8.190 0.136 0.000 0.441 127 E N -0.941 119.378 120.200 0.199 0.000 2.502 127 E HA 0.327 4.870 4.350 0.015 -0.183 0.261 127 E C -1.566 174.966 176.600 -0.112 0.000 0.974 127 E CA -0.809 55.570 56.400 -0.035 0.000 0.795 127 E CB 1.041 30.629 29.700 -0.187 0.000 1.385 127 E HN 0.287 8.876 8.360 0.382 0.000 0.400 128 E N 4.167 124.370 120.200 0.006 0.000 2.168 128 E HA -0.027 4.295 4.350 -0.046 0.000 0.285 128 E C -0.884 175.762 176.600 0.077 0.000 1.062 128 E CA 0.644 57.047 56.400 0.005 0.000 2.154 128 E CB 0.363 30.065 29.700 0.003 0.000 2.636 128 E HN 0.462 8.862 8.360 0.067 0.000 1.146 129 G N -0.877 108.008 108.800 0.143 0.000 5.070 129 G HA2 0.246 4.274 3.960 0.114 0.000 0.249 129 G HA3 0.246 4.255 3.960 0.081 0.000 0.249 129 G C -1.066 173.929 174.900 0.158 0.000 0.931 129 G CA 0.387 45.562 45.100 0.124 0.000 0.753 129 G HN -0.150 8.257 8.290 0.195 0.000 0.320 130 F N 0.373 120.386 119.950 0.104 0.000 2.163 130 F HA -0.330 4.240 4.527 0.072 0.000 0.297 130 F C -0.287 175.589 175.800 0.126 0.000 1.094 130 F CA 2.677 60.740 58.000 0.105 0.000 1.290 130 F CB 0.430 39.506 39.000 0.126 0.000 1.017 130 F HN -0.543 7.992 8.300 0.392 0.000 0.483 131 Y N -2.047 118.359 120.300 0.178 0.000 2.352 131 Y HA -0.234 4.373 4.550 0.094 0.000 0.292 131 Y C 0.981 176.891 175.900 0.018 0.000 1.136 131 Y CA 2.202 60.357 58.100 0.092 0.000 1.227 131 Y CB -0.407 38.117 38.460 0.107 0.000 0.991 131 Y HN 0.050 8.608 8.280 0.463 0.000 0.545 132 K N -2.130 118.143 120.400 -0.212 0.000 2.243 132 K HA -0.210 3.801 4.320 -0.514 0.000 0.201 132 K C 2.564 179.009 176.600 -0.259 0.000 1.051 132 K CA 2.561 58.665 56.287 -0.305 0.000 0.970 132 K CB -0.634 31.798 32.500 -0.114 0.000 0.755 132 K HN 0.059 8.199 8.250 0.018 0.121 0.465 133 R N -1.549 118.806 120.500 -0.241 0.000 2.280 133 R HA -0.240 3.982 4.340 -0.196 0.000 0.207 133 R C 0.843 176.946 176.300 -0.329 0.000 1.043 133 R CA 3.205 59.143 56.100 -0.270 0.000 1.006 133 R CB -0.242 29.865 30.300 -0.321 0.000 0.885 133 R HN -0.266 7.749 8.270 -0.204 0.133 0.467 134 T N -0.662 113.698 114.554 -0.322 0.000 2.898 134 T HA -0.169 4.071 4.350 -0.183 0.000 0.241 134 T C 1.736 176.234 174.700 -0.338 0.000 1.024 134 T CA 2.782 64.792 62.100 -0.151 0.000 1.174 134 T CB -0.131 68.801 68.868 0.108 0.000 0.873 134 T HN -0.906 6.966 8.240 -0.331 0.169 0.422 135 L N 1.689 122.783 121.223 -0.214 0.000 2.263 135 L HA -0.257 4.039 4.340 -0.073 0.000 0.216 135 L C -0.975 175.668 176.870 -0.379 0.000 1.111 135 L CA 2.095 56.777 54.840 -0.263 0.000 0.773 135 L CB 0.217 42.086 42.059 -0.318 0.000 0.906 135 L HN -0.808 7.250 8.230 -0.285 0.000 0.439 136 D N -1.642 118.530 120.400 -0.380 0.000 2.441 136 D HA 0.041 4.464 4.640 -0.363 0.000 0.221 136 D C 0.544 176.547 176.300 -0.495 0.000 1.156 136 D CA -0.276 53.507 54.000 -0.361 0.000 0.896 136 D CB 0.070 40.767 40.800 -0.173 0.000 1.028 136 D HN -0.634 7.465 8.370 -0.360 0.055 0.509 137 I N -0.130 120.022 120.570 -0.696 0.000 3.646 137 I HA 0.058 4.010 4.170 -0.363 0.000 0.301 137 I C -0.445 175.489 176.117 -0.305 0.000 1.276 137 I CA 0.261 61.289 61.300 -0.454 0.000 1.254 137 I CB -0.613 37.211 38.000 -0.293 0.000 1.020 137 I HN -0.316 7.390 8.210 -0.841 0.000 0.473 138 H N 0.353 119.454 119.070 0.051 0.000 2.547 138 H HA 0.039 4.690 4.556 0.159 0.000 0.274 138 H C 0.121 175.471 175.328 0.036 0.000 1.024 138 H CA 1.171 57.267 56.048 0.080 0.000 1.155 138 H CB -0.560 29.229 29.762 0.045 0.000 1.344 138 H HN -0.660 7.198 8.280 -0.775 -0.043 0.598 139 R N -3.225 117.293 120.500 0.031 0.000 2.469 139 R HA 0.162 4.527 4.340 0.042 0.000 0.250 139 R C -0.371 175.931 176.300 0.003 0.000 0.909 139 R CA -0.867 55.241 56.100 0.014 0.000 1.050 139 R CB 1.022 31.304 30.300 -0.029 0.000 1.256 139 R HN -0.409 7.712 8.270 -0.056 0.115 0.550 140 T N -3.227 111.325 114.554 -0.003 0.000 7.679 140 T HA -0.409 3.949 4.350 0.014 0.000 0.300 140 T C -0.322 174.372 174.700 -0.012 0.000 2.098 140 T CA 2.435 64.539 62.100 0.007 0.000 3.313 140 T CB -2.272 66.609 68.868 0.023 0.000 1.898 140 T HN -0.291 7.830 8.240 -0.018 0.109 1.144 141 L N 1.532 122.729 121.223 -0.043 0.000 2.189 141 L HA 0.130 4.463 4.340 -0.011 0.000 0.199 141 L C 0.579 177.397 176.870 -0.087 0.000 1.074 141 L CA 2.518 57.329 54.840 -0.047 0.000 0.783 141 L CB -0.272 41.752 42.059 -0.058 0.000 0.955 141 L HN -0.128 7.955 8.230 -0.056 0.114 0.460 142 G N -1.818 106.889 108.800 -0.155 0.000 2.422 142 G HA2 -0.352 3.540 3.960 -0.114 0.000 0.218 142 G HA3 -0.352 3.725 3.960 -0.295 -0.294 0.218 142 G C 0.012 174.803 174.900 -0.181 0.000 1.140 142 G CA 1.993 46.982 45.100 -0.184 0.000 0.775 142 G HN 0.147 8.337 8.290 -0.166 0.000 0.545 143 L N -0.347 120.745 121.223 -0.220 0.000 2.056 143 L HA -0.218 3.919 4.340 -0.339 0.000 0.207 143 L C 1.345 178.153 176.870 -0.104 0.000 1.078 143 L CA 2.452 57.164 54.840 -0.213 0.000 0.749 143 L CB 0.034 42.017 42.059 -0.126 0.000 0.901 143 L HN -0.336 7.762 8.230 -0.192 0.017 0.433 144 L N -3.416 117.817 121.223 0.017 0.000 2.079 144 L HA -0.262 4.306 4.340 0.381 0.000 0.210 144 L C 0.931 177.901 176.870 0.167 0.000 1.081 144 L CA 2.445 57.410 54.840 0.207 0.000 0.752 144 L CB 0.274 42.446 42.059 0.187 0.000 0.896 144 L HN -0.764 7.464 8.230 -0.004 0.000 0.433 145 L N -9.280 111.950 121.223 0.012 0.000 2.628 145 L HA 0.069 4.309 4.340 -0.166 0.000 0.229 145 L C -0.295 176.540 176.870 -0.059 0.000 1.137 145 L CA 0.325 55.119 54.840 -0.077 0.000 0.909 145 L CB -0.820 41.181 42.059 -0.097 0.000 1.137 145 L HN -0.758 7.380 8.230 -0.002 0.090 0.470 146 H N -1.114 117.813 119.070 -0.238 0.000 2.418 146 H HA 0.258 4.681 4.556 -0.223 0.000 0.300 146 H C 1.890 176.921 175.328 -0.496 0.000 1.041 146 H CA 2.482 58.309 56.048 -0.369 0.000 1.364 146 H CB 2.177 31.619 29.762 -0.533 0.000 1.439 146 H HN -0.349 7.702 8.280 -0.007 0.225 0.540 147 T N -0.136 114.111 114.554 -0.511 0.000 3.077 147 T HA -0.272 3.781 4.350 -0.494 0.000 0.269 147 T C 0.589 175.396 174.700 0.179 0.000 1.146 147 T CA 3.145 64.993 62.100 -0.421 0.000 1.091 147 T CB -0.665 67.587 68.868 -1.026 0.000 0.892 147 T HN -0.407 7.567 8.240 -0.443 0.000 0.533 148 Q N -1.694 118.173 119.800 0.112 0.000 2.217 148 Q HA 0.306 4.664 4.340 0.030 0.000 0.217 148 Q C -2.026 173.593 176.000 -0.634 0.000 0.844 148 Q CA 0.565 56.308 55.803 -0.100 0.000 0.957 148 Q CB 2.004 30.682 28.738 -0.099 0.000 1.127 148 Q HN 0.266 8.460 8.270 0.009 0.081 0.503 149 V N -6.643 112.980 119.914 -0.485 0.000 2.711 149 V HA 0.533 4.413 4.120 -0.630 -0.137 0.304 149 V C -1.572 174.436 176.094 -0.145 0.000 1.097 149 V CA -2.722 59.320 62.300 -0.431 0.000 0.906 149 V CB 2.494 34.154 31.823 -0.272 0.000 1.015 149 V HN -0.537 7.364 8.190 -0.269 0.128 0.427 150 S N 5.202 120.945 115.700 0.072 0.000 2.473 150 S HA 0.249 4.798 4.470 0.133 0.000 0.312 150 S C -0.486 174.115 174.600 0.001 0.000 1.087 150 S CA -1.526 56.755 58.200 0.134 0.000 1.077 150 S CB -0.380 62.955 63.200 0.226 0.000 1.065 150 S HN -0.064 8.192 8.310 0.098 0.113 0.510 151 I N 1.689 122.212 120.570 -0.079 0.000 2.577 151 I HA 0.463 4.750 4.170 -0.091 -0.172 0.300 151 I C -0.695 175.436 176.117 0.024 0.000 0.990 151 I CA -1.786 59.480 61.300 -0.057 0.000 1.283 151 I CB 1.614 39.581 38.000 -0.055 0.000 1.411 151 I HN -0.503 7.608 8.210 -0.165 0.000 0.515 152 Q N 2.651 122.444 119.800 -0.013 0.000 2.406 152 Q HA 0.135 4.525 4.340 0.083 0.000 0.244 152 Q C -1.008 174.944 176.000 -0.080 0.000 0.884 152 Q CA -0.849 54.959 55.803 0.008 0.000 0.813 152 Q CB 2.825 31.560 28.738 -0.005 0.000 1.368 152 Q HN -0.334 7.781 8.270 -0.088 0.102 0.439 153 Q N 6.537 126.268 119.800 -0.115 0.000 2.269 153 Q HA -0.328 3.704 4.340 -0.513 0.000 0.300 153 Q C -1.285 174.615 176.000 -0.167 0.000 1.070 153 Q CA 2.346 57.939 55.803 -0.350 0.000 0.957 153 Q CB 0.137 28.591 28.738 -0.473 0.000 1.131 153 Q HN 0.676 8.974 8.270 0.047 0.000 0.377 154 L N 5.741 126.872 121.223 -0.153 0.000 2.862 154 L HA 0.229 4.544 4.340 -0.041 0.000 0.169 154 L C -0.325 176.520 176.870 -0.042 0.000 1.164 154 L CA 0.450 55.253 54.840 -0.061 0.000 0.858 154 L CB 1.486 43.533 42.059 -0.020 0.000 1.329 154 L HN 0.069 8.179 8.230 -0.200 0.000 0.514 155 L N -1.493 119.711 121.223 -0.033 0.000 2.375 155 L HA 0.179 4.520 4.340 0.001 0.000 0.271 155 L C -1.547 175.303 176.870 -0.032 0.000 1.107 155 L CA -0.196 54.639 54.840 -0.009 0.000 0.806 155 L CB 1.853 43.927 42.059 0.025 0.000 1.146 155 L HN -0.519 7.690 8.230 -0.035 0.000 0.447 156 K N 5.142 125.535 120.400 -0.012 0.000 2.687 156 K HA 0.126 4.432 4.320 -0.022 0.000 0.249 156 K C -1.942 174.664 176.600 0.010 0.000 0.994 156 K CA -0.483 55.797 56.287 -0.012 0.000 0.913 156 K CB 2.279 34.770 32.500 -0.015 0.000 1.202 156 K HN 0.089 8.341 8.250 0.002 0.000 0.460 157 L N 5.218 126.453 121.223 0.019 0.000 2.296 157 L HA 0.598 4.957 4.340 0.032 0.000 0.286 157 L C -1.893 174.987 176.870 0.015 0.000 1.023 157 L CA -3.721 51.138 54.840 0.031 0.000 0.812 157 L CB 1.886 43.980 42.059 0.059 0.000 1.223 157 L HN 0.037 8.277 8.230 0.017 0.000 0.421 158 P HA -0.003 4.406 4.420 -0.019 0.000 0.245 158 P C -0.962 176.329 177.300 -0.016 0.000 1.212 158 P CA -0.058 63.040 63.100 -0.004 0.000 0.774 158 P CB 0.262 31.969 31.700 0.011 0.000 0.999 159 A N -3.602 119.235 122.820 0.027 0.000 3.261 159 A HA -0.342 4.153 4.320 0.292 0.000 0.252 159 A C 0.396 178.075 177.584 0.158 0.000 1.357 159 A CA 0.650 52.754 52.037 0.112 0.000 0.797 159 A CB -1.826 17.057 19.000 -0.195 0.000 1.031 159 A HN 0.297 8.376 8.150 0.049 0.100 0.561 160 E N -2.307 117.950 120.200 0.096 0.000 2.077 160 E HA -0.289 4.100 4.350 0.065 0.000 0.193 160 E C -0.152 176.404 176.600 -0.073 0.000 0.989 160 E CA 2.931 59.360 56.400 0.048 0.000 0.800 160 E CB -0.252 29.475 29.700 0.046 0.000 0.746 160 E HN 0.310 8.722 8.360 0.086 0.000 0.452 161 C N -3.266 115.982 119.300 -0.086 0.000 2.511 161 C HA -0.097 4.045 4.460 -0.529 0.000 0.277 161 C C -0.054 174.692 174.990 -0.407 0.000 1.451 161 C CA 0.033 58.859 59.018 -0.319 0.000 1.735 161 C CB -1.008 26.628 27.740 -0.173 0.000 1.704 161 C HN 0.082 8.324 8.230 0.020 0.000 0.571 162 F N 1.853 121.647 119.950 -0.260 0.000 2.626 162 F HA 0.011 4.608 4.527 -0.096 -0.128 0.353 162 F C -1.184 174.556 175.800 -0.100 0.000 1.230 162 F CA 0.004 57.921 58.000 -0.138 0.000 1.298 162 F CB -1.897 37.062 39.000 -0.068 0.000 1.670 162 F HN -0.710 7.451 8.300 0.147 0.228 0.633 163 H N 2.648 121.777 119.070 0.099 0.000 2.607 163 H HA 0.077 4.677 4.556 0.073 0.000 0.367 163 H C -0.535 174.778 175.328 -0.024 0.000 1.181 163 H CA -1.157 54.929 56.048 0.063 0.000 1.402 163 H CB 0.873 30.693 29.762 0.097 0.000 1.474 163 H HN -0.678 7.425 8.280 -0.226 0.042 0.596 164 P HA -0.084 4.457 4.420 0.202 0.000 0.214 164 P C -1.014 176.385 177.300 0.165 0.000 1.167 164 P CA 1.113 64.297 63.100 0.140 0.000 0.882 164 P CB 0.893 32.603 31.700 0.017 0.000 0.777 165 K N -1.023 119.435 120.400 0.097 0.000 2.464 165 K HA 0.330 4.713 4.320 0.104 0.000 0.252 165 K C -1.799 174.844 176.600 0.072 0.000 1.000 165 K CA -1.992 54.344 56.287 0.081 0.000 0.951 165 K CB 0.167 32.690 32.500 0.038 0.000 1.183 165 K HN -0.162 8.125 8.250 0.062 0.000 0.445 166 P HA -0.135 4.339 4.420 0.091 0.000 0.277 166 P C -0.871 176.408 177.300 -0.035 0.000 1.269 166 P CA 0.117 63.242 63.100 0.042 0.000 0.840 166 P CB 0.782 32.496 31.700 0.025 0.000 1.156 167 K N -2.833 117.495 120.400 -0.120 0.000 2.948 167 K HA 0.048 4.329 4.320 -0.065 0.000 0.182 167 K C -0.859 175.656 176.600 -0.142 0.000 1.750 167 K CA 0.445 56.669 56.287 -0.104 0.000 1.390 167 K CB 0.810 33.255 32.500 -0.091 0.000 1.986 167 K HN 0.296 8.416 8.250 -0.217 0.000 0.628 168 V N -3.304 116.468 119.914 -0.237 0.000 2.975 168 V HA 0.269 4.299 4.120 -0.150 0.000 0.318 168 V C -2.176 173.774 176.094 -0.239 0.000 1.077 168 V CA -2.336 59.828 62.300 -0.226 0.000 1.000 168 V CB 2.138 33.791 31.823 -0.284 0.000 1.066 168 V HN -0.663 7.331 8.190 -0.327 0.000 0.452 169 N N -0.688 117.920 118.700 -0.154 0.000 2.443 169 N HA 0.075 4.801 4.740 -0.130 -0.064 0.269 169 N C -0.760 174.703 175.510 -0.078 0.000 0.985 169 N CA -0.605 52.381 53.050 -0.105 0.000 0.921 169 N CB 1.653 40.116 38.487 -0.039 0.000 1.195 169 N HN -0.028 8.281 8.380 -0.118 0.000 0.492 170 S N 3.162 118.817 115.700 -0.074 0.000 2.452 170 S HA 0.527 5.181 4.470 0.010 -0.178 0.284 170 S C -0.956 173.663 174.600 0.030 0.000 1.171 170 S CA -0.856 57.343 58.200 -0.002 0.000 1.064 170 S CB 0.913 64.134 63.200 0.034 0.000 0.967 170 S HN -0.053 8.199 8.310 -0.096 0.000 0.484 171 V N 6.045 125.982 119.914 0.039 0.000 3.113 171 V HA 0.400 4.523 4.120 0.004 0.000 0.316 171 V C -3.341 172.755 176.094 0.003 0.000 1.125 171 V CA -2.487 59.814 62.300 0.001 0.000 1.026 171 V CB 4.405 36.196 31.823 -0.054 0.000 1.080 171 V HN 0.589 8.817 8.190 0.063 0.000 0.444 172 L N 2.006 123.209 121.223 -0.033 0.000 2.298 172 L HA 0.442 4.802 4.340 0.033 0.000 0.284 172 L C -1.724 175.074 176.870 -0.121 0.000 1.013 172 L CA -1.191 53.643 54.840 -0.009 0.000 0.824 172 L CB 2.339 44.436 42.059 0.062 0.000 1.221 172 L HN -0.179 7.910 8.230 -0.056 0.108 0.418 173 I N 6.939 127.440 120.570 -0.115 0.000 2.304 173 I HA 0.101 4.084 4.170 -0.312 0.000 0.291 173 I C -1.140 174.795 176.117 -0.304 0.000 1.018 173 I CA -0.776 60.409 61.300 -0.191 0.000 1.260 173 I CB 0.068 38.074 38.000 0.010 0.000 1.390 173 I HN 0.107 8.302 8.210 -0.024 0.000 0.475 174 K N 9.033 129.185 120.400 -0.412 0.000 2.155 174 K HA -0.015 3.366 4.320 -1.564 0.000 0.240 174 K C -0.951 175.387 176.600 -0.436 0.000 1.193 174 K CA -0.691 55.135 56.287 -0.768 0.000 1.104 174 K CB -0.872 31.313 32.500 -0.525 0.000 1.558 174 K HN -0.185 7.883 8.250 -0.304 0.000 0.313 175 L N 5.799 126.814 121.223 -0.347 0.000 2.397 175 L HA -0.016 4.243 4.340 -0.135 0.000 0.271 175 L C -0.875 175.938 176.870 -0.096 0.000 1.148 175 L CA 0.932 55.678 54.840 -0.157 0.000 0.825 175 L CB 0.946 42.951 42.059 -0.089 0.000 1.117 175 L HN -0.289 7.672 8.230 -0.401 0.029 0.456 176 T N 3.759 118.285 114.554 -0.048 0.000 3.250 176 T HA 0.169 4.718 4.350 0.062 -0.162 0.391 176 T C -0.422 174.256 174.700 -0.036 0.000 1.502 176 T CA -1.556 60.564 62.100 0.033 0.000 1.320 176 T CB -0.553 68.381 68.868 0.109 0.000 1.102 176 T HN -0.005 8.174 8.240 -0.067 0.021 0.610 177 R N 8.564 129.020 120.500 -0.072 0.000 2.543 177 R HA -0.043 4.335 4.340 -0.368 -0.259 0.348 177 R C -0.696 175.532 176.300 -0.120 0.000 0.981 177 R CA -0.108 55.881 56.100 -0.185 0.000 1.019 177 R CB -0.972 29.283 30.300 -0.076 0.000 0.944 177 R HN 0.324 8.588 8.270 -0.009 0.000 0.425 178 H N 4.882 123.979 119.070 0.046 0.000 2.994 178 H HA 0.386 4.980 4.556 0.063 0.000 0.276 178 H C 0.033 175.396 175.328 0.059 0.000 1.575 178 H CA -1.729 54.353 56.048 0.057 0.000 1.583 178 H CB 1.578 31.372 29.762 0.053 0.000 1.735 178 H HN -0.185 7.334 8.280 -1.268 0.000 0.901 179 T N -2.146 112.602 114.554 0.323 0.000 2.496 179 T HA -0.237 4.197 4.350 0.139 0.000 0.254 179 T C 0.015 174.885 174.700 0.284 0.000 1.161 179 T CA 2.164 64.393 62.100 0.215 0.000 1.231 179 T CB 0.133 69.089 68.868 0.147 0.000 0.866 179 T HN 0.011 8.438 8.240 0.312 0.000 0.396 180 T N -0.566 114.202 114.554 0.358 0.000 3.802 180 T HA 0.081 4.896 4.350 0.512 -0.158 0.397 180 T C -1.336 173.513 174.700 0.249 0.000 1.404 180 T CA 0.165 62.499 62.100 0.390 0.000 1.151 180 T CB 1.748 70.817 68.868 0.335 0.000 1.329 180 T HN -0.473 7.937 8.240 0.282 0.000 0.474 181 D N 6.025 126.564 120.400 0.232 0.000 2.323 181 D HA 0.111 4.756 4.640 0.008 0.000 0.209 181 D C -0.318 175.935 176.300 -0.078 0.000 0.973 181 D CA 1.470 55.505 54.000 0.059 0.000 0.874 181 D CB 0.924 41.821 40.800 0.160 0.000 0.930 181 D HN 0.261 8.851 8.370 0.366 0.000 0.521 182 V N 0.277 120.115 119.914 -0.128 0.000 2.531 182 V HA 0.263 4.165 4.120 -0.364 0.000 0.301 182 V C -2.708 173.392 176.094 0.010 0.000 1.034 182 V CA -3.811 58.294 62.300 -0.326 0.000 0.865 182 V CB 1.501 32.769 31.823 -0.924 0.000 0.995 182 V HN -0.475 7.691 8.190 0.032 0.043 0.424 183 P HA -0.019 4.352 4.420 -0.081 0.000 0.256 183 P C -0.557 176.711 177.300 -0.052 0.000 1.173 183 P CA 0.127 63.136 63.100 -0.152 0.000 0.768 183 P CB 0.740 32.125 31.700 -0.525 0.000 0.758 184 D N 3.830 124.258 120.400 0.045 0.000 2.244 184 D HA -0.440 4.343 4.640 0.240 0.000 0.197 184 D C 2.109 178.418 176.300 0.016 0.000 1.006 184 D CA 3.791 57.832 54.000 0.068 0.000 0.888 184 D CB -0.134 40.614 40.800 -0.086 0.000 0.912 184 D HN 0.396 8.779 8.370 0.023 0.000 0.452 185 K N -1.992 118.297 120.400 -0.184 0.000 1.985 185 K HA -0.219 4.064 4.320 -0.061 0.000 0.210 185 K C 2.364 178.970 176.600 0.010 0.000 1.047 185 K CA 2.889 59.066 56.287 -0.183 0.000 0.932 185 K CB -0.074 32.172 32.500 -0.423 0.000 0.716 185 K HN 0.034 8.082 8.250 -0.293 0.026 0.439 186 Y N -3.702 116.621 120.300 0.038 0.000 2.578 186 Y HA -0.089 4.437 4.550 -0.040 0.000 0.297 186 Y C 1.367 177.273 175.900 0.010 0.000 1.176 186 Y CA -1.753 56.332 58.100 -0.024 0.000 1.315 186 Y CB -1.595 36.814 38.460 -0.085 0.000 1.031 186 Y HN -0.815 6.918 8.280 -0.912 0.000 0.524 187 W N 1.577 122.870 121.300 -0.011 0.000 2.378 187 W HA -0.452 4.198 4.660 -0.017 0.000 0.313 187 W C 0.751 177.317 176.519 0.077 0.000 1.197 187 W CA 3.948 61.298 57.345 0.009 0.000 1.304 187 W CB 0.063 29.515 29.460 -0.012 0.000 1.148 187 W HN 0.204 8.377 8.180 0.244 0.154 0.494 188 K N -3.131 117.525 120.400 0.426 0.000 2.209 188 K HA -0.331 4.204 4.320 0.359 0.000 0.204 188 K C 2.783 179.510 176.600 0.212 0.000 1.048 188 K CA 2.788 59.255 56.287 0.300 0.000 0.940 188 K CB -0.219 32.398 32.500 0.196 0.000 0.729 188 K HN -0.672 7.795 8.250 0.362 0.000 0.451 189 L N -1.509 119.793 121.223 0.131 0.000 2.313 189 L HA -0.227 4.167 4.340 0.089 0.000 0.214 189 L C 1.159 177.795 176.870 -0.390 0.000 1.119 189 L CA 2.738 57.535 54.840 -0.072 0.000 0.809 189 L CB -0.092 41.869 42.059 -0.164 0.000 0.933 189 L HN -0.454 7.762 8.230 0.166 0.114 0.449 190 Y N -0.263 119.809 120.300 -0.380 0.000 2.130 190 Y HA -0.408 3.752 4.550 -0.650 0.000 0.287 190 Y C 1.677 177.517 175.900 -0.101 0.000 1.124 190 Y CA 3.338 61.210 58.100 -0.379 0.000 1.118 190 Y CB -0.103 38.154 38.460 -0.339 0.000 0.994 190 Y HN -0.782 7.297 8.280 0.090 0.255 0.497 191 T N 1.058 115.670 114.554 0.096 0.000 2.570 191 T HA -0.545 3.859 4.350 0.090 0.000 0.266 191 T C 1.887 176.656 174.700 0.116 0.000 1.071 191 T CA 4.139 66.294 62.100 0.093 0.000 1.172 191 T CB -0.999 67.926 68.868 0.094 0.000 0.864 191 T HN -0.021 8.293 8.240 0.123 0.000 0.421 192 Y N 1.996 122.357 120.300 0.102 0.000 2.069 192 Y HA -0.484 4.121 4.550 0.092 0.000 0.278 192 Y C 2.003 177.979 175.900 0.128 0.000 1.175 192 Y CA 3.129 61.300 58.100 0.118 0.000 1.134 192 Y CB -0.471 38.073 38.460 0.140 0.000 0.965 192 Y HN -0.898 7.492 8.280 0.183 0.000 0.498 193 F N -2.844 117.024 119.950 -0.137 0.000 2.115 193 F HA -0.455 3.781 4.527 -0.485 0.000 0.300 193 F C 2.377 177.969 175.800 -0.347 0.000 1.092 193 F CA 2.626 60.266 58.000 -0.600 0.000 1.245 193 F CB -1.132 37.012 39.000 -1.425 0.000 0.995 193 F HN -0.619 7.986 8.300 0.507 0.000 0.481 194 V N -1.012 119.020 119.914 0.197 0.000 2.237 194 V HA -0.576 3.987 4.120 0.739 0.000 0.245 194 V C 1.967 178.303 176.094 0.402 0.000 1.046 194 V CA 3.193 65.775 62.300 0.471 0.000 1.007 194 V CB -1.054 30.961 31.823 0.319 0.000 0.638 194 V HN -0.135 8.049 8.190 0.157 0.100 0.445 195 S N -0.626 115.223 115.700 0.248 0.000 2.401 195 S HA -0.511 4.050 4.470 0.152 0.000 0.236 195 S C 2.106 176.795 174.600 0.149 0.000 1.058 195 S CA 3.850 62.160 58.200 0.184 0.000 1.151 195 S CB -0.171 63.146 63.200 0.195 0.000 1.049 195 S HN -0.185 8.252 8.310 0.211 0.000 0.432 196 K N 0.127 120.599 120.400 0.120 0.000 2.097 196 K HA -0.247 4.048 4.320 -0.041 0.000 0.206 196 K C 1.770 178.332 176.600 -0.063 0.000 1.049 196 K CA 3.015 59.296 56.287 -0.010 0.000 0.933 196 K CB 0.018 32.475 32.500 -0.071 0.000 0.717 196 K HN -0.746 7.597 8.250 0.155 0.000 0.442 197 W N -2.276 118.954 121.300 -0.117 0.000 3.077 197 W HA -0.093 4.294 4.660 -0.456 0.000 0.245 197 W C -0.249 176.213 176.519 -0.094 0.000 1.316 197 W CA 1.389 58.662 57.345 -0.120 0.000 1.537 197 W CB 0.045 29.732 29.460 0.378 0.000 1.131 197 W HN -0.086 8.202 8.180 0.322 0.086 0.695 198 V N 1.386 121.334 119.914 0.056 0.000 2.635 198 V HA -0.242 3.908 4.120 0.049 0.000 0.233 198 V C 2.239 178.261 176.094 -0.121 0.000 1.097 198 V CA 1.629 63.956 62.300 0.046 0.000 1.134 198 V CB 0.338 32.284 31.823 0.206 0.000 0.841 198 V HN -0.558 7.471 8.190 0.111 0.228 0.496 199 N N 1.015 119.663 118.700 -0.088 0.000 2.020 199 N HA -0.292 4.415 4.740 -0.055 0.000 0.200 199 N C 0.687 176.096 175.510 -0.168 0.000 1.054 199 N CA 3.202 56.193 53.050 -0.098 0.000 0.874 199 N CB 0.588 39.030 38.487 -0.075 0.000 1.075 199 N HN -0.531 7.831 8.380 -0.031 0.000 0.446 200 R N -5.339 114.979 120.500 -0.304 0.000 2.585 200 R HA 0.016 4.070 4.340 -0.476 0.000 0.085 200 R C -1.194 174.854 176.300 -0.419 0.000 0.570 200 R CA 0.148 56.048 56.100 -0.335 0.000 0.785 200 R CB 0.158 30.425 30.300 -0.055 0.000 0.922 200 R HN -0.280 7.803 8.270 -0.311 0.000 0.617 201 E N 1.768 121.630 120.200 -0.563 0.000 2.354 201 E HA 0.196 4.395 4.350 -0.252 0.000 0.260 201 E C -0.429 175.864 176.600 -0.513 0.000 1.405 201 E CA -0.650 55.519 56.400 -0.385 0.000 1.728 201 E CB -1.861 27.684 29.700 -0.258 0.000 1.471 201 E HN -0.009 7.978 8.360 -0.621 0.000 0.441 202 Y N 0.938 121.026 120.300 -0.355 0.000 2.220 202 Y HA -0.400 3.613 4.550 -0.895 0.000 0.291 202 Y C 1.607 177.043 175.900 -0.775 0.000 1.129 202 Y CA 4.275 61.940 58.100 -0.724 0.000 1.161 202 Y CB -0.280 37.835 38.460 -0.574 0.000 0.997 202 Y HN -0.571 7.329 8.280 -0.476 0.095 0.522 203 R N -4.269 116.103 120.500 -0.213 0.000 2.316 203 R HA -0.274 4.050 4.340 -0.028 0.000 0.202 203 R C 0.446 176.705 176.300 -0.069 0.000 1.029 203 R CA 1.709 57.754 56.100 -0.092 0.000 1.018 203 R CB -0.647 29.631 30.300 -0.037 0.000 0.888 203 R HN 0.118 8.318 8.270 -0.115 0.000 0.471 204 Q N -1.479 118.238 119.800 -0.137 0.000 2.226 204 Q HA -0.053 4.263 4.340 -0.040 0.000 0.199 204 Q C 1.360 177.324 176.000 -0.061 0.000 0.945 204 Q CA 1.645 57.397 55.803 -0.085 0.000 0.861 204 Q CB -0.100 28.570 28.738 -0.113 0.000 0.953 204 Q HN -0.817 7.123 8.270 -0.216 0.201 0.490 205 L N -2.821 118.324 121.223 -0.130 0.000 2.313 205 L HA -0.136 4.234 4.340 0.050 0.000 0.214 205 L C 0.108 176.983 176.870 0.008 0.000 1.119 205 L CA 1.954 56.765 54.840 -0.048 0.000 0.809 205 L CB 0.405 42.437 42.059 -0.046 0.000 0.933 205 L HN -0.591 7.484 8.230 -0.257 0.000 0.449 206 F N -2.129 117.767 119.950 -0.090 0.000 2.394 206 F HA 0.067 4.692 4.527 0.164 0.000 0.340 206 F C 0.403 176.292 175.800 0.147 0.000 1.105 206 F CA -1.715 56.361 58.000 0.127 0.000 1.124 206 F CB 0.360 39.526 39.000 0.276 0.000 1.145 206 F HN -0.629 7.637 8.300 -0.010 0.029 0.505 207 T N 1.014 115.833 114.554 0.443 0.000 3.043 207 T HA -0.131 4.329 4.350 0.184 0.000 0.263 207 T C 0.293 175.093 174.700 0.166 0.000 1.094 207 T CA 1.521 63.763 62.100 0.236 0.000 1.127 207 T CB 0.296 69.283 68.868 0.198 0.000 0.905 207 T HN 0.040 8.687 8.240 0.677 0.000 0.490 208 K N -0.039 120.470 120.400 0.182 0.000 3.476 208 K HA 0.075 4.458 4.320 0.106 0.000 0.165 208 K C -1.590 175.070 176.600 0.101 0.000 1.182 208 K CA 0.401 56.751 56.287 0.104 0.000 0.723 208 K CB 0.394 32.915 32.500 0.035 0.000 0.944 208 K HN -0.562 7.816 8.250 0.257 0.026 0.478 209 N N -3.674 115.153 118.700 0.211 0.000 2.900 209 N HA -0.494 4.481 4.740 0.391 0.000 0.240 209 N C 0.487 176.027 175.510 0.050 0.000 0.953 209 N CA 2.189 55.360 53.050 0.202 0.000 0.950 209 N CB -0.028 38.515 38.487 0.094 0.000 1.102 209 N HN 0.292 8.874 8.380 0.336 0.000 0.593 210 Q N -0.106 119.644 119.800 -0.084 0.000 2.002 210 Q HA -0.157 4.289 4.340 -0.239 -0.250 0.204 210 Q C 2.067 177.769 176.000 -0.496 0.000 0.988 210 Q CA 2.912 58.511 55.803 -0.341 0.000 0.843 210 Q CB -0.302 28.093 28.738 -0.571 0.000 0.908 210 Q HN 0.353 8.533 8.270 -0.001 0.089 0.420 211 F N -2.970 116.668 119.950 -0.520 0.000 2.216 211 F HA -0.198 4.111 4.527 -0.363 0.000 0.300 211 F C 2.032 177.393 175.800 -0.731 0.000 1.085 211 F CA 3.267 60.815 58.000 -0.754 0.000 1.326 211 F CB -1.049 37.166 39.000 -1.309 0.000 1.027 211 F HN -0.138 7.858 8.300 -0.507 0.000 0.497 212 H N 0.024 118.708 119.070 -0.643 0.000 2.352 212 H HA -0.486 4.193 4.556 0.204 0.000 0.299 212 H C 2.079 177.411 175.328 0.007 0.000 1.097 212 H CA 4.683 60.714 56.048 -0.027 0.000 1.311 212 H CB -0.167 29.726 29.762 0.217 0.000 1.377 212 H HN 0.061 7.923 8.280 -0.519 0.107 0.504 213 Q N -2.257 117.563 119.800 0.033 0.000 2.170 213 Q HA -0.321 4.077 4.340 0.097 0.000 0.203 213 Q C 2.232 178.286 176.000 0.090 0.000 0.976 213 Q CA 2.890 58.735 55.803 0.070 0.000 0.858 213 Q CB -0.213 28.556 28.738 0.052 0.000 0.907 213 Q HN -0.154 8.041 8.270 0.020 0.087 0.433 214 A N -0.603 122.203 122.820 -0.025 0.000 2.015 214 A HA -0.259 4.054 4.320 -0.012 0.000 0.219 214 A C 1.779 179.405 177.584 0.071 0.000 1.163 214 A CA 2.817 54.858 52.037 0.007 0.000 0.646 214 A CB -0.701 18.294 19.000 -0.009 0.000 0.806 214 A HN -0.559 7.395 8.150 -0.105 0.133 0.448 215 M N -0.772 118.845 119.600 0.028 0.000 2.081 215 M HA -0.467 4.077 4.480 0.105 0.000 0.261 215 M C 2.036 178.328 176.300 -0.014 0.000 1.075 215 M CA 4.195 59.515 55.300 0.032 0.000 1.133 215 M CB 0.163 32.749 32.600 -0.023 0.000 1.330 215 M HN -0.146 7.976 8.290 -0.029 0.150 0.414 216 K N -0.681 119.667 120.400 -0.086 0.000 2.113 216 K HA -0.415 3.846 4.320 -0.098 0.000 0.208 216 K C 2.867 179.432 176.600 -0.060 0.000 1.047 216 K CA 3.390 59.623 56.287 -0.090 0.000 0.928 216 K CB -0.254 32.180 32.500 -0.110 0.000 0.716 216 K HN -0.470 7.686 8.250 -0.157 0.000 0.446 217 H N -2.342 116.701 119.070 -0.045 0.000 2.387 217 H HA -0.214 4.327 4.556 -0.025 0.000 0.299 217 H C 0.248 175.565 175.328 -0.018 0.000 1.090 217 H CA 3.093 59.125 56.048 -0.027 0.000 1.332 217 H CB 0.265 30.012 29.762 -0.026 0.000 1.386 217 H HN -0.368 8.006 8.280 0.174 0.010 0.516 218 A N -4.072 118.809 122.820 0.103 0.000 2.412 218 A HA 0.024 4.379 4.320 0.057 0.000 0.253 218 A C -1.491 176.109 177.584 0.027 0.000 1.334 218 A CA -0.640 51.433 52.037 0.059 0.000 0.929 218 A CB -0.123 18.912 19.000 0.059 0.000 0.983 218 A HN -0.522 7.571 8.150 0.110 0.124 0.508 219 K N -6.538 113.863 120.400 0.002 0.000 2.948 219 K HA -0.412 3.888 4.320 -0.033 0.000 0.253 219 K C -0.488 176.111 176.600 -0.003 0.000 0.970 219 K CA 0.794 57.073 56.287 -0.014 0.000 0.716 219 K CB -2.906 29.589 32.500 -0.009 0.000 1.249 219 K HN -0.249 7.801 8.250 -0.007 0.196 0.483 220 V N -0.684 119.235 119.914 0.007 0.000 2.525 220 V HA 0.042 4.179 4.120 0.030 0.000 0.326 220 V C -1.277 174.805 176.094 -0.020 0.000 1.477 220 V CA -2.330 59.986 62.300 0.025 0.000 1.579 220 V CB -1.982 29.894 31.823 0.089 0.000 1.489 220 V HN -0.374 7.787 8.190 0.008 0.033 0.541 221 N N 1.876 120.550 118.700 -0.044 0.000 2.000 221 N HA -0.320 4.357 4.740 -0.105 0.000 0.198 221 N C -0.433 175.017 175.510 -0.099 0.000 1.057 221 N CA 2.677 55.680 53.050 -0.078 0.000 0.858 221 N CB 0.524 38.976 38.487 -0.059 0.000 1.057 221 N HN -0.526 7.766 8.380 -0.032 0.069 0.423 222 N N -0.343 118.312 118.700 -0.075 0.000 2.457 222 N HA 0.104 4.752 4.740 -0.153 0.000 0.250 222 N C 0.097 175.568 175.510 -0.065 0.000 0.982 222 N CA -0.342 52.649 53.050 -0.099 0.000 0.941 222 N CB 0.332 38.774 38.487 -0.075 0.000 1.120 222 N HN 0.007 8.358 8.380 -0.049 0.000 0.505 223 L N -0.665 120.494 121.223 -0.106 0.000 2.599 223 L HA 0.146 4.556 4.340 0.115 0.000 0.230 223 L C 0.259 177.134 176.870 0.009 0.000 1.141 223 L CA 0.716 55.571 54.840 0.026 0.000 0.877 223 L CB -0.205 41.882 42.059 0.046 0.000 1.009 223 L HN 0.282 8.388 8.230 -0.207 0.000 0.447 224 S N -0.932 114.681 115.700 -0.146 0.000 2.374 224 S HA -0.339 3.816 4.470 -0.524 0.000 0.227 224 S C 0.949 175.629 174.600 0.135 0.000 1.037 224 S CA 2.825 60.929 58.200 -0.161 0.000 1.024 224 S CB 0.209 63.334 63.200 -0.125 0.000 0.861 224 S HN 0.101 8.242 8.310 -0.157 0.074 0.456 225 T N -0.928 113.684 114.554 0.096 0.000 3.067 225 T HA -0.154 4.248 4.350 0.087 0.000 0.261 225 T C 0.145 174.924 174.700 0.132 0.000 1.110 225 T CA 0.286 62.445 62.100 0.098 0.000 1.113 225 T CB -0.020 68.880 68.868 0.054 0.000 0.917 225 T HN -0.733 7.528 8.240 0.043 0.004 0.499 226 I N 2.258 122.942 120.570 0.191 0.000 3.087 226 I HA -0.215 4.030 4.170 0.126 0.000 0.318 226 I C 0.252 176.429 176.117 0.100 0.000 1.209 226 I CA 0.691 62.099 61.300 0.180 0.000 1.460 226 I CB 0.484 38.674 38.000 0.317 0.000 1.306 226 I HN -0.435 7.705 8.210 0.194 0.187 0.560 227 T N 5.893 120.488 114.554 0.069 0.000 2.983 227 T HA -0.077 4.426 4.350 -0.028 -0.170 0.250 227 T C -0.255 174.495 174.700 0.085 0.000 1.037 227 T CA 1.621 63.755 62.100 0.057 0.000 1.142 227 T CB 1.024 69.986 68.868 0.157 0.000 0.876 227 T HN 0.336 8.622 8.240 0.076 0.000 0.455 228 Y N -3.891 116.384 120.300 -0.042 0.000 3.153 228 Y HA -0.172 4.277 4.550 -0.168 0.000 0.359 228 Y C -1.125 174.737 175.900 -0.062 0.000 0.935 228 Y CA 0.782 58.831 58.100 -0.085 0.000 0.896 228 Y CB -0.570 37.888 38.460 -0.004 0.000 1.311 228 Y HN -0.656 7.650 8.280 0.043 0.000 0.486 229 E N 1.265 121.182 120.200 -0.471 0.000 2.058 229 E HA -0.562 3.289 4.350 -0.831 0.000 0.194 229 E C 1.513 177.868 176.600 -0.408 0.000 0.997 229 E CA 4.486 60.568 56.400 -0.531 0.000 0.801 229 E CB 0.074 29.645 29.700 -0.214 0.000 0.746 229 E HN -0.678 7.599 8.360 -0.138 0.000 0.450 230 Q N -1.408 118.243 119.800 -0.248 0.000 1.993 230 Q HA -0.263 3.988 4.340 -0.147 0.000 0.202 230 Q C 2.517 178.265 176.000 -0.420 0.000 0.984 230 Q CA 2.892 58.580 55.803 -0.192 0.000 0.837 230 Q CB -0.930 27.804 28.738 -0.007 0.000 0.902 230 Q HN 0.200 8.371 8.270 -0.164 0.000 0.423 231 V N 0.757 120.293 119.914 -0.630 0.000 2.527 231 V HA -0.327 2.538 4.120 -2.091 0.000 0.255 231 V C 2.477 178.001 176.094 -0.950 0.000 1.081 231 V CA 3.115 64.583 62.300 -1.386 0.000 1.092 231 V CB -0.916 30.117 31.823 -1.317 0.000 0.673 231 V HN -0.079 7.873 8.190 -0.397 0.000 0.470 232 L N -0.933 119.980 121.223 -0.516 0.000 2.027 232 L HA -0.101 4.436 4.340 0.328 0.000 0.206 232 L C 2.176 179.023 176.870 -0.039 0.000 1.074 232 L CA 3.429 58.184 54.840 -0.141 0.000 0.745 232 L CB -1.772 40.029 42.059 -0.430 0.000 0.898 232 L HN -0.092 7.614 8.230 -0.610 0.158 0.433 233 S N -0.247 115.365 115.700 -0.146 0.000 2.329 233 S HA -0.270 4.193 4.470 -0.012 0.000 0.215 233 S C 2.022 176.614 174.600 -0.012 0.000 1.031 233 S CA 3.898 62.066 58.200 -0.054 0.000 0.985 233 S CB -0.198 62.964 63.200 -0.064 0.000 0.917 233 S HN -0.626 7.472 8.310 -0.237 0.071 0.441 234 I N 1.373 121.897 120.570 -0.077 0.000 2.103 234 I HA -0.607 3.639 4.170 0.127 0.000 0.241 234 I C 1.695 177.941 176.117 0.215 0.000 1.036 234 I CA 4.036 65.357 61.300 0.034 0.000 1.300 234 I CB -0.064 37.867 38.000 -0.115 0.000 1.010 234 I HN -0.244 7.877 8.210 -0.148 0.000 0.406 235 F N -2.684 117.203 119.950 -0.104 0.000 2.102 235 F HA -0.365 4.242 4.527 0.134 0.000 0.298 235 F C 2.351 178.234 175.800 0.137 0.000 1.105 235 F CA 0.680 58.678 58.000 -0.004 0.000 1.239 235 F CB -1.518 37.230 39.000 -0.419 0.000 0.991 235 F HN -0.610 7.410 8.300 -0.293 0.104 0.474 236 N N -0.926 117.977 118.700 0.339 0.000 2.132 236 N HA -0.389 4.499 4.740 0.247 0.000 0.191 236 N C 2.566 178.104 175.510 0.047 0.000 1.015 236 N CA 3.135 56.304 53.050 0.199 0.000 0.864 236 N CB -0.310 38.244 38.487 0.111 0.000 1.006 236 N HN -0.316 8.184 8.380 0.306 0.064 0.430 237 S N -0.373 115.333 115.700 0.010 0.000 2.355 237 S HA -0.259 3.911 4.470 -0.500 0.000 0.222 237 S C 1.935 176.286 174.600 -0.416 0.000 1.031 237 S CA 3.202 61.215 58.200 -0.312 0.000 0.993 237 S CB -0.257 62.898 63.200 -0.075 0.000 0.859 237 S HN -0.170 8.085 8.310 0.100 0.115 0.453 238 Y N 2.113 122.373 120.300 -0.067 0.000 2.315 238 Y HA -0.250 4.392 4.550 0.153 0.000 0.288 238 Y C 1.958 177.884 175.900 0.044 0.000 1.154 238 Y CA 1.149 59.260 58.100 0.018 0.000 1.229 238 Y CB -0.590 37.840 38.460 -0.051 0.000 0.980 238 Y HN -0.873 7.502 8.280 0.291 0.080 0.540 239 L N -2.592 118.751 121.223 0.200 0.000 2.217 239 L HA -0.178 4.187 4.340 0.042 0.000 0.211 239 L C 1.855 178.703 176.870 -0.038 0.000 1.107 239 L CA 2.980 57.846 54.840 0.044 0.000 0.783 239 L CB -0.723 41.336 42.059 0.000 0.000 0.919 239 L HN 0.130 8.353 8.230 0.207 0.131 0.442 240 L N -3.267 117.873 121.223 -0.138 0.000 2.509 240 L HA -0.073 4.249 4.340 -0.030 0.000 0.222 240 L C 1.121 178.060 176.870 0.114 0.000 1.123 240 L CA 1.638 56.411 54.840 -0.112 0.000 0.856 240 L CB -0.215 41.708 42.059 -0.227 0.000 0.985 240 L HN -0.451 7.477 8.230 -0.241 0.158 0.456 241 F N -2.944 117.137 119.950 0.220 0.000 2.505 241 F HA 0.032 4.646 4.527 0.145 0.000 0.289 241 F C 0.806 176.728 175.800 0.203 0.000 1.101 241 F CA 0.141 58.272 58.000 0.218 0.000 1.446 241 F CB -0.257 38.932 39.000 0.315 0.000 1.123 241 F HN -0.466 7.668 8.300 -0.015 0.157 0.564 242 N N -0.388 118.539 118.700 0.379 0.000 2.236 242 N HA -0.031 4.851 4.740 0.237 0.000 0.195 242 N C 0.333 175.910 175.510 0.111 0.000 1.048 242 N CA 1.171 54.349 53.050 0.213 0.000 0.927 242 N CB 0.777 39.317 38.487 0.088 0.000 1.112 242 N HN -0.366 8.236 8.380 0.369 0.000 0.482 243 G N -3.354 105.467 108.800 0.036 0.000 4.275 243 G HA2 0.022 3.981 3.960 -0.003 0.000 0.226 243 G HA3 0.022 3.990 3.960 0.014 0.000 0.226 243 G C -0.588 174.258 174.900 -0.091 0.000 1.391 243 G CA -0.284 44.811 45.100 -0.008 0.000 1.225 243 G HN -0.157 8.140 8.290 0.012 0.000 0.627 244 R N -1.538 118.849 120.500 -0.189 0.000 2.577 244 R HA 0.232 4.417 4.340 -0.258 0.000 0.344 244 R C -0.753 174.941 176.300 -1.011 0.000 1.037 244 R CA -0.718 55.154 56.100 -0.380 0.000 1.102 244 R CB 0.406 30.548 30.300 -0.264 0.000 1.313 244 R HN -0.156 8.022 8.270 -0.154 0.000 0.561 245 K N 0.000 119.980 120.400 -0.700 0.000 2.780 245 K HA 0.000 3.237 4.320 -1.806 0.000 0.191 245 K CA 0.000 55.827 56.287 -0.766 0.000 0.838 245 K CB 0.000 32.313 32.500 -0.311 0.000 1.064 245 K HN 0.000 7.966 8.250 -0.360 0.068 0.543