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 2ee4_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGWES NYFGMPLQDL VTAEKPIPLF VEKCVEFIED TGLCTEGLYR DATA SEQUENCE VSGNKTDQDN IQKQFDQDHN INLVSMEVTV NAVAGALKAF FADLPDPLIP DATA SEQUENCE YSLHPELLEA AKIPDKTERL HALKEIVKKF HPVNYDVFRY VITHLNRVSQ DATA SEQUENCE QHKINLMTAD NLSICFWPTL MRPDFENREF LSTTKIHQSV VETFIQQCQF DATA SEQUENCE FFYNGEIVE 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 3.985 3.960 0.041 0.000 0.244 1 G C 0.000 174.920 174.900 0.033 0.000 0.946 1 G CA 0.000 45.124 45.100 0.039 0.000 0.502 2 S N 1.030 116.745 115.700 0.025 0.000 2.449 2 S HA 0.200 4.680 4.470 0.016 0.000 0.310 2 S C 0.164 174.771 174.600 0.012 0.000 1.096 2 S CA -0.621 57.587 58.200 0.015 0.000 1.095 2 S CB 1.237 64.439 63.200 0.003 0.000 1.007 2 S HN -0.239 8.085 8.310 0.023 0.000 0.474 3 S N 4.636 120.342 115.700 0.010 0.000 2.593 3 S HA -0.084 4.387 4.470 0.002 0.000 0.269 3 S C 0.134 174.719 174.600 -0.025 0.000 1.334 3 S CA 0.460 58.658 58.200 -0.002 0.000 1.015 3 S CB 0.552 63.754 63.200 0.003 0.000 0.912 3 S HN 0.170 8.488 8.310 0.013 0.000 0.541 4 G N 2.890 111.661 108.800 -0.049 0.000 2.201 4 G HA2 -0.070 3.859 3.960 -0.051 0.000 0.102 4 G HA3 -0.070 3.858 3.960 -0.053 0.000 0.102 4 G C -0.191 174.654 174.900 -0.092 0.000 0.833 4 G CA 1.004 46.068 45.100 -0.060 0.000 1.207 4 G HN 0.236 8.488 8.290 -0.063 0.000 0.435 5 S N 1.910 117.548 115.700 -0.103 0.000 2.365 5 S HA -0.270 4.127 4.470 -0.122 0.000 0.221 5 S C 0.444 174.922 174.600 -0.204 0.000 1.037 5 S CA 2.051 60.169 58.200 -0.137 0.000 1.060 5 S CB 0.133 63.253 63.200 -0.133 0.000 0.974 5 S HN 0.201 8.460 8.310 -0.086 0.000 0.427 6 S N 0.527 116.070 115.700 -0.262 0.000 2.548 6 S HA 0.053 4.209 4.470 -0.523 0.000 0.277 6 S C 1.459 175.811 174.600 -0.414 0.000 1.315 6 S CA 0.358 58.270 58.200 -0.478 0.000 1.050 6 S CB 1.065 63.862 63.200 -0.671 0.000 0.918 6 S HN -0.436 7.754 8.310 -0.201 0.000 0.497 7 G N 5.283 113.814 108.800 -0.447 0.000 2.446 7 G HA2 -0.241 3.627 3.960 -0.152 0.000 0.217 7 G HA3 -0.241 3.603 3.960 -0.192 0.000 0.217 7 G C -0.695 174.145 174.900 -0.100 0.000 1.168 7 G CA 1.021 45.984 45.100 -0.227 0.000 0.771 7 G HN 0.501 8.459 8.290 -0.553 0.000 0.551 8 W N 0.191 121.465 121.300 -0.044 0.000 2.253 8 W HA 0.075 4.721 4.660 -0.023 0.000 0.348 8 W C -0.849 175.660 176.519 -0.016 0.000 1.229 8 W CA -3.348 53.979 57.345 -0.030 0.000 1.335 8 W CB 0.619 30.056 29.460 -0.038 0.000 1.165 8 W HN -0.743 7.078 8.180 -0.599 0.000 0.631 9 E N 1.329 121.770 120.200 0.401 0.000 2.223 9 E HA -0.061 4.411 4.350 0.203 0.000 0.282 9 E C -0.635 176.192 176.600 0.379 0.000 1.046 9 E CA 0.033 56.601 56.400 0.280 0.000 0.857 9 E CB 0.082 29.872 29.700 0.151 0.000 1.055 9 E HN -0.019 8.542 8.360 0.334 0.000 0.409 10 S N 4.621 120.536 115.700 0.358 0.000 2.648 10 S HA 0.298 4.963 4.470 0.327 0.000 0.305 10 S C -0.080 174.660 174.600 0.233 0.000 1.094 10 S CA -2.008 56.416 58.200 0.372 0.000 0.983 10 S CB 3.589 67.140 63.200 0.584 0.000 1.101 10 S HN 0.030 8.499 8.310 0.266 0.000 0.514 11 N N 0.346 119.176 118.700 0.218 0.000 2.432 11 N HA 0.038 4.848 4.740 0.117 0.000 0.174 11 N C 0.579 176.194 175.510 0.176 0.000 1.037 11 N CA 1.672 54.814 53.050 0.154 0.000 0.892 11 N CB 0.488 39.044 38.487 0.116 0.000 1.049 11 N HN 0.128 8.818 8.380 0.251 -0.159 0.442 12 Y N -0.994 119.347 120.300 0.069 0.000 2.559 12 Y HA 0.023 4.563 4.550 -0.017 0.000 0.279 12 Y C -0.845 175.040 175.900 -0.025 0.000 1.117 12 Y CA 0.793 58.883 58.100 -0.017 0.000 1.263 12 Y CB 1.896 40.312 38.460 -0.074 0.000 1.230 12 Y HN -0.816 7.804 8.280 0.327 -0.144 0.528 13 F N -2.133 117.902 119.950 0.141 0.000 2.480 13 F HA -0.167 4.372 4.527 0.020 0.000 0.319 13 F C 1.889 177.667 175.800 -0.037 0.000 1.230 13 F CA 2.383 60.417 58.000 0.056 0.000 1.285 13 F CB 0.600 39.690 39.000 0.150 0.000 1.208 13 F HN -0.941 7.751 8.300 0.420 -0.140 0.579 14 G N -0.318 108.585 108.800 0.172 0.000 3.078 14 G HA2 -0.526 3.415 3.960 -0.032 0.000 0.227 14 G HA3 -0.526 3.445 3.960 0.018 0.000 0.227 14 G C -0.253 174.621 174.900 -0.044 0.000 1.306 14 G CA 0.611 45.720 45.100 0.014 0.000 0.841 14 G HN 0.357 8.817 8.290 0.283 0.000 0.530 15 M N 3.158 122.718 119.600 -0.066 0.000 2.243 15 M HA -0.098 4.340 4.480 -0.070 0.000 0.309 15 M C -1.603 174.628 176.300 -0.116 0.000 1.050 15 M CA -0.030 55.209 55.300 -0.102 0.000 1.139 15 M CB -0.641 31.869 32.600 -0.150 0.000 1.457 15 M HN -0.315 7.843 8.290 -0.049 0.102 0.440 16 P HA 0.099 4.469 4.420 -0.084 0.000 0.272 16 P C -0.308 176.953 177.300 -0.065 0.000 1.230 16 P CA -0.850 62.203 63.100 -0.078 0.000 0.788 16 P CB 0.947 32.610 31.700 -0.061 0.000 0.949 17 L N 0.897 122.105 121.223 -0.026 0.000 1.956 17 L HA -0.447 3.931 4.340 0.063 0.000 0.216 17 L C 1.609 178.498 176.870 0.031 0.000 1.073 17 L CA 4.312 59.174 54.840 0.038 0.000 0.762 17 L CB -0.104 42.009 42.059 0.089 0.000 0.889 17 L HN 0.667 8.875 8.230 -0.037 0.000 0.433 18 Q N -4.316 115.501 119.800 0.028 0.000 2.290 18 Q HA -0.483 3.907 4.340 0.083 0.000 0.211 18 Q C 1.096 177.113 176.000 0.029 0.000 0.991 18 Q CA 2.768 58.601 55.803 0.050 0.000 0.893 18 Q CB -0.980 27.791 28.738 0.054 0.000 0.913 18 Q HN 0.436 8.708 8.270 0.004 0.000 0.428 19 D N -1.664 118.731 120.400 -0.008 0.000 2.240 19 D HA -0.007 4.632 4.640 -0.002 0.000 0.206 19 D C 1.259 177.529 176.300 -0.050 0.000 0.963 19 D CA 1.897 55.880 54.000 -0.028 0.000 0.863 19 D CB 0.635 41.401 40.800 -0.058 0.000 0.973 19 D HN -0.591 7.600 8.370 -0.023 0.165 0.501 20 L N -2.321 118.844 121.223 -0.096 0.000 2.044 20 L HA -0.123 4.006 4.340 -0.352 0.000 0.205 20 L C 0.730 177.675 176.870 0.125 0.000 1.075 20 L CA 1.904 56.659 54.840 -0.142 0.000 0.747 20 L CB 0.460 42.395 42.059 -0.206 0.000 0.903 20 L HN -0.371 7.691 8.230 -0.077 0.122 0.435 21 V N -5.877 114.097 119.914 0.101 0.000 3.319 21 V HA -0.097 4.101 4.120 0.131 0.000 0.303 21 V C -0.906 175.241 176.094 0.088 0.000 1.094 21 V CA -0.432 61.933 62.300 0.109 0.000 1.106 21 V CB 0.920 32.802 31.823 0.097 0.000 1.099 21 V HN -0.105 8.019 8.190 0.072 0.109 0.476 22 T N -3.072 111.526 114.554 0.073 0.000 2.900 22 T HA 0.276 4.659 4.350 0.054 0.000 0.303 22 T C 0.685 175.412 174.700 0.045 0.000 1.142 22 T CA -3.127 59.006 62.100 0.055 0.000 1.007 22 T CB 2.494 71.389 68.868 0.047 0.000 1.156 22 T HN -0.068 8.213 8.240 0.070 0.000 0.490 23 A N 1.573 124.416 122.820 0.038 0.000 1.958 23 A HA -0.293 4.050 4.320 0.038 0.000 0.221 23 A C 0.995 178.595 177.584 0.028 0.000 1.178 23 A CA 2.684 54.740 52.037 0.033 0.000 0.642 23 A CB -0.606 18.410 19.000 0.026 0.000 0.816 23 A HN 0.347 8.519 8.150 0.036 0.000 0.453 24 E N -3.600 116.614 120.200 0.023 0.000 2.047 24 E HA -0.188 4.171 4.350 0.016 0.000 0.191 24 E C 0.131 176.742 176.600 0.018 0.000 0.987 24 E CA 1.387 57.798 56.400 0.017 0.000 0.799 24 E CB 0.032 29.739 29.700 0.012 0.000 0.752 24 E HN 0.186 8.544 8.360 0.024 0.017 0.449 25 K N -2.074 118.339 120.400 0.022 0.000 2.604 25 K HA 0.578 4.904 4.320 0.010 0.000 0.247 25 K C -1.902 174.714 176.600 0.027 0.000 0.956 25 K CA -3.383 52.913 56.287 0.016 0.000 0.896 25 K CB 1.141 33.645 32.500 0.006 0.000 1.131 25 K HN -0.729 7.455 8.250 0.027 0.083 0.440 26 P HA -0.066 4.392 4.420 0.064 0.000 0.221 26 P C -1.329 175.992 177.300 0.035 0.000 1.150 26 P CA 1.030 64.158 63.100 0.047 0.000 0.800 26 P CB 0.377 32.111 31.700 0.056 0.000 0.787 27 I N -1.169 119.389 120.570 -0.021 0.000 2.395 27 I HA 0.164 4.305 4.170 -0.047 0.000 0.289 27 I C -1.774 174.304 176.117 -0.066 0.000 1.023 27 I CA -4.271 56.975 61.300 -0.088 0.000 1.350 27 I CB -0.929 36.913 38.000 -0.262 0.000 1.409 27 I HN -0.422 7.737 8.210 -0.030 0.032 0.507 28 P HA 0.148 4.627 4.420 0.099 0.000 0.271 28 P C 0.838 178.092 177.300 -0.076 0.000 1.220 28 P CA -0.932 62.167 63.100 -0.002 0.000 0.768 28 P CB 1.174 32.855 31.700 -0.031 0.000 0.848 29 L N 5.381 126.624 121.223 0.034 0.000 1.978 29 L HA -0.428 3.874 4.340 -0.063 0.000 0.218 29 L C 1.906 178.651 176.870 -0.208 0.000 1.075 29 L CA 3.525 58.360 54.840 -0.008 0.000 0.767 29 L CB -0.129 42.048 42.059 0.197 0.000 0.890 29 L HN 0.342 8.653 8.230 0.135 0.000 0.434 30 F N -0.728 118.922 119.950 -0.500 0.000 2.039 30 F HA -0.470 3.225 4.527 -1.386 0.000 0.296 30 F C 1.253 176.693 175.800 -0.601 0.000 1.119 30 F CA 3.841 61.300 58.000 -0.901 0.000 1.211 30 F CB -1.366 37.115 39.000 -0.865 0.000 0.956 30 F HN -0.089 8.264 8.300 0.088 0.000 0.496 31 V N -2.273 117.354 119.914 -0.479 0.000 2.317 31 V HA -0.617 3.261 4.120 -0.403 0.000 0.251 31 V C 1.557 177.458 176.094 -0.321 0.000 1.065 31 V CA 4.824 66.888 62.300 -0.393 0.000 1.049 31 V CB -0.347 31.315 31.823 -0.270 0.000 0.651 31 V HN 0.204 8.141 8.190 -0.421 0.000 0.450 32 E N -0.319 119.677 120.200 -0.341 0.000 2.007 32 E HA -0.394 3.845 4.350 -0.185 0.000 0.194 32 E C 2.623 179.111 176.600 -0.186 0.000 0.999 32 E CA 2.995 59.250 56.400 -0.241 0.000 0.811 32 E CB -0.431 29.136 29.700 -0.222 0.000 0.762 32 E HN -0.695 7.364 8.360 -0.347 0.092 0.450 33 K N 0.093 120.331 120.400 -0.269 0.000 2.059 33 K HA -0.379 3.856 4.320 -0.143 0.000 0.212 33 K C 2.720 179.172 176.600 -0.246 0.000 1.050 33 K CA 3.226 59.356 56.287 -0.261 0.000 0.927 33 K CB -0.063 32.202 32.500 -0.391 0.000 0.714 33 K HN 0.159 8.120 8.250 -0.310 0.103 0.447 34 C N -1.374 117.677 119.300 -0.415 0.000 2.496 34 C HA -0.307 4.008 4.460 -0.242 0.000 0.281 34 C C 2.034 176.959 174.990 -0.107 0.000 1.250 34 C CA 4.592 63.421 59.018 -0.314 0.000 1.717 34 C CB -1.018 26.399 27.740 -0.538 0.000 2.082 34 C HN 0.304 8.177 8.230 -0.590 0.004 0.472 35 V N 0.685 120.503 119.914 -0.160 0.000 2.219 35 V HA -0.525 3.329 4.120 -0.444 0.000 0.248 35 V C 2.267 178.281 176.094 -0.133 0.000 1.053 35 V CA 4.530 66.671 62.300 -0.265 0.000 1.009 35 V CB -1.100 30.620 31.823 -0.172 0.000 0.636 35 V HN 0.342 8.311 8.190 -0.195 0.104 0.445 36 E N -1.730 118.468 120.200 -0.004 0.000 2.136 36 E HA -0.406 4.146 4.350 0.055 -0.169 0.202 36 E C 2.833 179.471 176.600 0.062 0.000 1.019 36 E CA 3.005 59.435 56.400 0.049 0.000 0.819 36 E CB -0.418 29.320 29.700 0.063 0.000 0.739 36 E HN 0.008 8.290 8.360 0.020 0.090 0.458 37 F N 0.292 120.194 119.950 -0.080 0.000 2.113 37 F HA -0.310 4.188 4.527 -0.049 0.000 0.297 37 F C 1.344 177.120 175.800 -0.040 0.000 1.103 37 F CA 2.921 60.881 58.000 -0.067 0.000 1.248 37 F CB 0.088 39.027 39.000 -0.102 0.000 0.999 37 F HN -0.722 7.658 8.300 0.149 0.010 0.475 38 I N -0.994 119.514 120.570 -0.104 0.000 2.118 38 I HA -0.550 3.439 4.170 -0.300 0.000 0.241 38 I C 1.786 177.844 176.117 -0.098 0.000 1.070 38 I CA 4.039 65.255 61.300 -0.140 0.000 1.327 38 I CB 0.124 38.163 38.000 0.065 0.000 1.034 38 I HN 0.096 8.267 8.210 0.057 0.073 0.405 39 E N -3.224 117.000 120.200 0.041 0.000 2.274 39 E HA -0.278 4.101 4.350 0.047 0.000 0.194 39 E C 2.517 179.087 176.600 -0.050 0.000 0.996 39 E CA 2.090 58.519 56.400 0.048 0.000 0.840 39 E CB -0.424 29.353 29.700 0.129 0.000 0.772 39 E HN -0.190 8.207 8.360 0.062 0.000 0.491 40 D N 1.653 121.991 120.400 -0.104 0.000 2.149 40 D HA -0.066 4.540 4.640 -0.056 0.000 0.201 40 D C 1.482 177.673 176.300 -0.180 0.000 0.972 40 D CA 2.614 56.548 54.000 -0.109 0.000 0.835 40 D CB 0.256 41.017 40.800 -0.064 0.000 0.966 40 D HN -0.154 7.990 8.370 -0.115 0.157 0.476 41 T N -3.374 110.977 114.554 -0.338 0.000 3.268 41 T HA 0.167 4.382 4.350 -0.225 0.000 0.244 41 T C 0.289 174.864 174.700 -0.209 0.000 0.915 41 T CA -0.441 61.463 62.100 -0.326 0.000 0.935 41 T CB -0.240 68.284 68.868 -0.574 0.000 1.110 41 T HN -0.382 7.590 8.240 -0.446 0.000 0.573 42 G N 2.004 110.720 108.800 -0.139 0.000 3.399 42 G HA2 -0.259 3.658 3.960 -0.073 0.000 0.685 42 G HA3 -0.259 3.647 3.960 -0.090 0.000 0.685 42 G C -0.830 174.019 174.900 -0.086 0.000 0.952 42 G CA -0.112 44.931 45.100 -0.095 0.000 0.793 42 G HN -0.595 7.524 8.290 -0.127 0.095 0.492 43 L N 1.429 122.617 121.223 -0.059 0.000 2.791 43 L HA 0.303 4.615 4.340 -0.046 0.000 0.239 43 L C -0.514 176.328 176.870 -0.046 0.000 1.203 43 L CA -0.133 54.678 54.840 -0.048 0.000 1.002 43 L CB 0.836 42.869 42.059 -0.042 0.000 1.295 43 L HN 0.297 8.495 8.230 -0.053 0.000 0.504 44 C N -5.881 113.392 119.300 -0.046 0.000 2.741 44 C HA 0.309 4.751 4.460 -0.029 0.000 0.267 44 C C -0.883 174.085 174.990 -0.037 0.000 1.549 44 C CA -2.965 56.031 59.018 -0.037 0.000 1.772 44 C CB -0.562 27.157 27.740 -0.036 0.000 2.962 44 C HN -0.343 7.762 8.230 -0.053 0.093 0.514 45 T N 4.074 118.602 114.554 -0.043 0.000 2.817 45 T HA -0.054 4.273 4.350 -0.039 0.000 0.293 45 T C -0.568 174.116 174.700 -0.026 0.000 0.964 45 T CA 0.522 62.597 62.100 -0.042 0.000 1.085 45 T CB 1.173 70.005 68.868 -0.059 0.000 0.921 45 T HN -0.444 7.700 8.240 -0.048 0.066 0.502 46 E N 4.478 124.666 120.200 -0.020 0.000 2.442 46 E HA -0.466 3.942 4.350 -0.002 -0.059 0.262 46 E C 0.929 177.530 176.600 0.000 0.000 1.004 46 E CA 1.170 57.566 56.400 -0.007 0.000 0.928 46 E CB 0.265 29.961 29.700 -0.007 0.000 0.937 46 E HN 0.349 8.696 8.360 -0.023 0.000 0.446 47 G N 4.273 113.085 108.800 0.020 0.000 2.369 47 G HA2 -0.357 3.638 3.960 0.058 0.000 0.286 47 G HA3 -0.357 3.621 3.960 0.030 0.000 0.286 47 G C 0.105 175.014 174.900 0.015 0.000 0.938 47 G CA 0.989 46.109 45.100 0.034 0.000 1.271 47 G HN 0.465 8.770 8.290 0.026 0.000 0.488 48 L N -0.762 120.465 121.223 0.006 0.000 2.023 48 L HA -0.152 4.122 4.340 -0.110 0.000 0.205 48 L C -0.516 176.261 176.870 -0.155 0.000 1.073 48 L CA 2.142 56.926 54.840 -0.094 0.000 0.745 48 L CB 0.873 42.864 42.059 -0.113 0.000 0.900 48 L HN -0.664 7.587 8.230 0.036 0.000 0.435 49 Y N -7.077 113.287 120.300 0.106 0.000 2.801 49 Y HA 0.138 4.764 4.550 0.125 0.000 0.318 49 Y C -0.250 175.711 175.900 0.101 0.000 1.073 49 Y CA -0.439 57.744 58.100 0.137 0.000 1.360 49 Y CB -1.841 36.769 38.460 0.251 0.000 1.220 49 Y HN 0.023 8.435 8.280 0.219 0.000 0.536 50 R N -2.469 118.130 120.500 0.165 0.000 2.320 50 R HA 0.154 4.575 4.340 0.136 0.000 0.193 50 R C -0.163 176.183 176.300 0.077 0.000 0.885 50 R CA 0.268 56.440 56.100 0.120 0.000 1.085 50 R CB 1.589 31.949 30.300 0.100 0.000 1.253 50 R HN -0.621 7.631 8.270 0.106 0.082 0.636 51 V N 2.967 122.914 119.914 0.054 0.000 2.493 51 V HA -0.157 3.985 4.120 0.036 0.000 0.292 51 V C 0.462 176.579 176.094 0.038 0.000 1.016 51 V CA 0.748 63.070 62.300 0.036 0.000 1.097 51 V CB 0.470 32.305 31.823 0.020 0.000 0.947 51 V HN -0.565 7.654 8.190 0.048 0.000 0.479 52 S N 6.747 122.468 115.700 0.035 0.000 2.399 52 S HA -0.353 4.138 4.470 0.035 0.000 0.235 52 S C 0.191 174.811 174.600 0.034 0.000 1.063 52 S CA 1.867 60.087 58.200 0.033 0.000 1.070 52 S CB 0.099 63.314 63.200 0.026 0.000 0.904 52 S HN 0.357 8.686 8.310 0.033 0.000 0.456 53 G N -2.466 106.352 108.800 0.029 0.000 3.445 53 G HA2 -0.245 3.729 3.960 0.023 0.000 0.680 53 G HA3 -0.245 3.890 3.960 0.033 -0.155 0.680 53 G C -2.110 172.809 174.900 0.031 0.000 0.972 53 G CA -0.497 44.620 45.100 0.029 0.000 0.798 53 G HN -0.390 7.905 8.290 0.026 0.010 0.461 54 N N 2.344 121.061 118.700 0.027 0.000 2.292 54 N HA -0.277 4.478 4.740 0.025 0.000 0.284 54 N C 1.308 176.838 175.510 0.034 0.000 1.387 54 N CA -0.137 52.930 53.050 0.027 0.000 0.961 54 N CB 0.450 38.952 38.487 0.025 0.000 1.356 54 N HN 0.134 8.529 8.380 0.024 0.000 0.491 55 K N 6.683 127.103 120.400 0.034 0.000 2.089 55 K HA -0.401 3.947 4.320 0.047 0.000 0.210 55 K C 1.864 178.492 176.600 0.046 0.000 1.048 55 K CA 2.746 59.057 56.287 0.041 0.000 0.926 55 K CB -0.209 32.311 32.500 0.034 0.000 0.714 55 K HN 0.057 8.325 8.250 0.029 0.000 0.448 56 T N 0.363 114.939 114.554 0.037 0.000 2.602 56 T HA -0.446 3.927 4.350 0.038 0.000 0.264 56 T C 1.652 176.376 174.700 0.040 0.000 1.085 56 T CA 4.833 66.954 62.100 0.036 0.000 1.164 56 T CB -0.731 68.153 68.868 0.026 0.000 0.860 56 T HN -0.500 7.877 8.240 0.032 -0.118 0.442 57 D N 0.572 120.995 120.400 0.037 0.000 2.084 57 D HA -0.357 4.301 4.640 0.030 0.000 0.194 57 D C 2.454 178.789 176.300 0.057 0.000 0.990 57 D CA 3.737 57.759 54.000 0.038 0.000 0.826 57 D CB -0.589 40.230 40.800 0.032 0.000 0.971 57 D HN -0.583 7.807 8.370 0.034 0.000 0.453 58 Q N -0.586 119.256 119.800 0.069 0.000 2.173 58 Q HA -0.417 3.990 4.340 0.111 0.000 0.208 58 Q C 2.390 178.465 176.000 0.126 0.000 0.989 58 Q CA 3.080 58.944 55.803 0.101 0.000 0.872 58 Q CB -0.268 28.527 28.738 0.095 0.000 0.909 58 Q HN -0.650 7.656 8.270 0.059 0.000 0.420 59 D N -2.020 118.444 120.400 0.107 0.000 2.117 59 D HA -0.275 4.476 4.640 0.186 0.000 0.197 59 D C 1.811 178.185 176.300 0.124 0.000 0.987 59 D CA 3.361 57.444 54.000 0.139 0.000 0.829 59 D CB 0.169 41.035 40.800 0.110 0.000 0.961 59 D HN 0.179 8.482 8.370 0.084 0.117 0.460 60 N N -0.376 118.370 118.700 0.076 0.000 2.207 60 N HA -0.151 4.595 4.740 0.010 0.000 0.182 60 N C 2.272 177.842 175.510 0.099 0.000 1.020 60 N CA 2.489 55.568 53.050 0.048 0.000 0.858 60 N CB -0.299 38.200 38.487 0.020 0.000 0.991 60 N HN -0.389 7.933 8.380 0.068 0.099 0.427 61 I N 0.679 121.319 120.570 0.116 0.000 2.181 61 I HA -0.653 3.569 4.170 0.086 0.000 0.247 61 I C 2.466 178.794 176.117 0.350 0.000 1.081 61 I CA 4.084 65.478 61.300 0.157 0.000 1.340 61 I CB -0.375 37.701 38.000 0.126 0.000 1.036 61 I HN 0.407 8.565 8.210 0.093 0.107 0.417 62 Q N -2.345 117.675 119.800 0.366 0.000 2.107 62 Q HA -0.299 4.512 4.340 0.784 0.000 0.195 62 Q C 1.937 178.164 176.000 0.378 0.000 0.964 62 Q CA 3.011 59.076 55.803 0.437 0.000 0.833 62 Q CB 0.235 29.008 28.738 0.057 0.000 0.910 62 Q HN -0.584 7.834 8.270 0.268 0.013 0.465 63 K N 0.419 120.909 120.400 0.151 0.000 1.987 63 K HA -0.446 3.766 4.320 -0.180 0.000 0.216 63 K C 2.421 179.031 176.600 0.018 0.000 1.051 63 K CA 3.791 60.029 56.287 -0.081 0.000 0.942 63 K CB -0.315 32.007 32.500 -0.297 0.000 0.722 63 K HN -0.596 7.744 8.250 0.151 0.000 0.444 64 Q N -2.908 116.920 119.800 0.047 0.000 2.077 64 Q HA -0.354 3.980 4.340 -0.011 0.000 0.206 64 Q C 2.185 178.239 176.000 0.090 0.000 0.989 64 Q CA 3.091 58.921 55.803 0.045 0.000 0.853 64 Q CB -0.168 28.597 28.738 0.045 0.000 0.907 64 Q HN 0.235 8.426 8.270 0.048 0.108 0.418 65 F N 1.196 121.169 119.950 0.039 0.000 2.126 65 F HA -0.235 4.382 4.527 -0.102 -0.151 0.299 65 F C 1.672 177.338 175.800 -0.223 0.000 1.096 65 F CA 2.386 60.362 58.000 -0.040 0.000 1.255 65 F CB -0.235 38.856 39.000 0.152 0.000 0.997 65 F HN -0.773 7.747 8.300 0.368 0.000 0.479 66 D N -1.224 119.087 120.400 -0.150 0.000 2.088 66 D HA -0.395 3.892 4.640 -0.589 0.000 0.191 66 D C 2.500 178.712 176.300 -0.147 0.000 0.992 66 D CA 3.049 56.935 54.000 -0.190 0.000 0.831 66 D CB 0.233 41.227 40.800 0.323 0.000 0.973 66 D HN -0.275 8.166 8.370 0.270 0.091 0.447 67 Q N -2.938 116.825 119.800 -0.061 0.000 2.135 67 Q HA -0.260 4.071 4.340 -0.016 0.000 0.204 67 Q C 0.795 176.781 176.000 -0.023 0.000 0.981 67 Q CA 2.416 58.197 55.803 -0.037 0.000 0.856 67 Q CB 0.815 29.522 28.738 -0.053 0.000 0.902 67 Q HN -0.501 7.744 8.270 -0.042 0.000 0.425 68 D N -2.601 117.765 120.400 -0.057 0.000 2.696 68 D HA 0.245 4.898 4.640 0.022 0.000 0.251 68 D C -1.590 174.662 176.300 -0.080 0.000 1.188 68 D CA -0.787 53.201 54.000 -0.019 0.000 0.876 68 D CB 1.829 42.625 40.800 -0.007 0.000 1.334 68 D HN 0.075 8.274 8.370 -0.091 0.117 0.540 69 H N 1.203 120.162 119.070 -0.185 0.000 2.538 69 H HA 0.129 4.678 4.556 -0.157 -0.087 0.286 69 H C -0.062 175.270 175.328 0.008 0.000 1.035 69 H CA 0.672 56.621 56.048 -0.165 0.000 1.169 69 H CB 0.396 29.963 29.762 -0.324 0.000 1.417 69 H HN 0.342 8.711 8.280 0.148 0.000 0.567 70 N N -1.394 117.360 118.700 0.091 0.000 2.238 70 N HA 0.042 4.822 4.740 0.067 0.000 0.235 70 N C -0.662 174.870 175.510 0.038 0.000 1.209 70 N CA -0.033 53.052 53.050 0.058 0.000 0.879 70 N CB 0.597 39.101 38.487 0.028 0.000 1.136 70 N HN 0.047 8.364 8.380 0.062 0.100 0.517 71 I N -2.038 118.563 120.570 0.052 0.000 3.112 71 I HA -0.111 4.061 4.170 0.003 0.000 0.284 71 I C -1.391 174.711 176.117 -0.025 0.000 1.227 71 I CA 0.251 61.560 61.300 0.016 0.000 1.369 71 I CB 0.260 38.280 38.000 0.033 0.000 1.376 71 I HN -0.879 7.324 8.210 0.093 0.062 0.608 72 N N 2.984 121.649 118.700 -0.059 0.000 2.573 72 N HA 0.314 4.995 4.740 -0.098 0.000 0.262 72 N C -0.357 175.045 175.510 -0.179 0.000 1.029 72 N CA -1.162 51.832 53.050 -0.093 0.000 0.882 72 N CB 0.229 38.690 38.487 -0.044 0.000 1.204 72 N HN 0.116 8.466 8.380 -0.051 0.000 0.519 73 L N 4.118 125.124 121.223 -0.362 0.000 2.081 73 L HA -0.447 3.605 4.340 -0.480 0.000 0.212 73 L C 1.351 177.925 176.870 -0.492 0.000 1.080 73 L CA 2.721 57.153 54.840 -0.681 0.000 0.754 73 L CB -0.065 41.065 42.059 -1.549 0.000 0.893 73 L HN 0.533 8.553 8.230 -0.351 0.000 0.433 74 V N -3.609 116.188 119.914 -0.194 0.000 2.324 74 V HA -0.542 3.823 4.120 0.407 0.000 0.250 74 V C 1.572 177.696 176.094 0.050 0.000 1.060 74 V CA 3.397 65.780 62.300 0.139 0.000 1.042 74 V CB -0.242 31.679 31.823 0.163 0.000 0.650 74 V HN -0.228 7.830 8.190 -0.196 0.015 0.450 75 S N -2.209 113.484 115.700 -0.012 0.000 2.470 75 S HA -0.173 4.305 4.470 0.012 0.000 0.225 75 S C 1.576 176.162 174.600 -0.023 0.000 1.006 75 S CA 1.981 60.176 58.200 -0.008 0.000 0.934 75 S CB 0.091 63.283 63.200 -0.013 0.000 0.778 75 S HN -0.617 7.567 8.310 -0.042 0.101 0.517 76 M N -0.739 118.823 119.600 -0.062 0.000 2.446 76 M HA -0.187 4.267 4.480 -0.044 0.000 0.263 76 M C -0.048 176.235 176.300 -0.028 0.000 1.066 76 M CA 1.299 56.561 55.300 -0.062 0.000 1.087 76 M CB 0.143 32.672 32.600 -0.119 0.000 1.406 76 M HN -0.428 7.657 8.290 -0.103 0.143 0.459 77 E N -5.496 114.704 120.200 0.001 0.000 2.791 77 E HA -0.382 4.008 4.350 0.067 0.000 0.271 77 E C -0.266 176.362 176.600 0.046 0.000 1.044 77 E CA 0.626 57.049 56.400 0.038 0.000 0.814 77 E CB -2.376 27.337 29.700 0.023 0.000 1.400 77 E HN -0.412 7.893 8.360 0.001 0.056 0.423 78 V N -6.322 113.617 119.914 0.041 0.000 3.697 78 V HA 0.028 4.169 4.120 0.034 0.000 0.285 78 V C -1.050 175.122 176.094 0.129 0.000 1.041 78 V CA -0.227 62.105 62.300 0.054 0.000 1.045 78 V CB 0.960 32.777 31.823 -0.010 0.000 1.227 78 V HN -1.062 7.101 8.190 0.002 0.027 0.448 79 T N -1.156 113.466 114.554 0.113 0.000 2.876 79 T HA 0.170 4.582 4.350 0.104 0.000 0.289 79 T C 0.932 175.690 174.700 0.096 0.000 1.014 79 T CA -2.008 60.150 62.100 0.096 0.000 0.986 79 T CB 1.727 70.622 68.868 0.045 0.000 1.021 79 T HN -0.329 7.961 8.240 0.083 0.000 0.458 80 V N 6.907 126.849 119.914 0.046 0.000 2.317 80 V HA -0.489 3.648 4.120 0.029 0.000 0.251 80 V C 0.940 177.004 176.094 -0.050 0.000 1.065 80 V CA 3.000 65.288 62.300 -0.019 0.000 1.049 80 V CB -0.592 31.168 31.823 -0.104 0.000 0.651 80 V HN 0.586 8.787 8.190 0.019 0.000 0.450 81 N N 0.445 119.122 118.700 -0.038 0.000 2.192 81 N HA -0.361 4.336 4.740 -0.073 0.000 0.188 81 N C 2.118 177.629 175.510 0.001 0.000 1.013 81 N CA 3.516 56.546 53.050 -0.033 0.000 0.863 81 N CB -0.393 38.090 38.487 -0.008 0.000 0.990 81 N HN -0.559 7.800 8.380 -0.024 0.006 0.430 82 A N 0.586 123.421 122.820 0.025 0.000 1.835 82 A HA -0.061 4.443 4.320 0.046 -0.156 0.213 82 A C 1.417 179.031 177.584 0.051 0.000 1.210 82 A CA 2.352 54.415 52.037 0.043 0.000 0.605 82 A CB 0.023 19.050 19.000 0.045 0.000 0.860 82 A HN 0.024 8.043 8.150 0.030 0.148 0.447 83 V N -0.727 119.219 119.914 0.053 0.000 2.380 83 V HA -0.490 3.623 4.120 -0.013 0.000 0.251 83 V C 1.959 178.078 176.094 0.041 0.000 1.063 83 V CA 4.237 66.557 62.300 0.034 0.000 1.055 83 V CB -0.760 31.141 31.823 0.131 0.000 0.657 83 V HN -0.284 7.951 8.190 0.076 0.000 0.455 84 A N -1.522 121.313 122.820 0.025 0.000 1.898 84 A HA -0.149 4.299 4.320 0.213 0.000 0.216 84 A C 1.678 179.406 177.584 0.240 0.000 1.181 84 A CA 3.169 55.251 52.037 0.076 0.000 0.620 84 A CB -0.695 18.064 19.000 -0.402 0.000 0.819 84 A HN 0.475 8.598 8.150 -0.013 0.020 0.442 85 G N -2.044 106.838 108.800 0.138 0.000 2.408 85 G HA2 -0.299 3.750 3.960 0.148 0.000 0.217 85 G HA3 -0.299 3.890 3.960 0.100 -0.169 0.217 85 G C 1.022 176.019 174.900 0.161 0.000 1.150 85 G CA 1.392 46.574 45.100 0.137 0.000 0.776 85 G HN -0.689 7.563 8.290 0.079 0.086 0.542 86 A N 1.804 124.726 122.820 0.170 0.000 1.933 86 A HA -0.185 4.281 4.320 0.243 0.000 0.218 86 A C 1.647 179.466 177.584 0.393 0.000 1.175 86 A CA 2.761 54.957 52.037 0.265 0.000 0.628 86 A CB -0.694 18.473 19.000 0.278 0.000 0.814 86 A HN 0.138 8.367 8.150 0.132 0.000 0.444 87 L N -1.030 120.352 121.223 0.264 0.000 1.988 87 L HA -0.307 4.236 4.340 0.338 0.000 0.207 87 L C 1.325 178.425 176.870 0.383 0.000 1.071 87 L CA 2.872 57.879 54.840 0.279 0.000 0.744 87 L CB -0.250 41.920 42.059 0.186 0.000 0.893 87 L HN -0.654 7.671 8.230 0.185 0.016 0.433 88 K N -2.134 118.465 120.400 0.332 0.000 2.160 88 K HA -0.458 4.114 4.320 0.419 0.000 0.206 88 K C 2.514 179.261 176.600 0.245 0.000 1.047 88 K CA 3.358 59.789 56.287 0.240 0.000 0.930 88 K CB -0.378 32.064 32.500 -0.096 0.000 0.720 88 K HN -0.518 7.919 8.250 0.311 0.000 0.450 89 A N -0.515 122.428 122.820 0.205 0.000 1.855 89 A HA -0.232 4.131 4.320 0.073 0.000 0.215 89 A C 1.150 178.822 177.584 0.147 0.000 1.191 89 A CA 2.702 54.820 52.037 0.135 0.000 0.613 89 A CB -0.502 18.559 19.000 0.102 0.000 0.829 89 A HN -0.449 7.812 8.150 0.220 0.021 0.442 90 F N 0.688 120.682 119.950 0.073 0.000 2.082 90 F HA -0.476 4.021 4.527 -0.050 0.000 0.298 90 F C 1.278 177.058 175.800 -0.033 0.000 1.091 90 F CA 3.128 61.115 58.000 -0.021 0.000 1.230 90 F CB -0.243 38.754 39.000 -0.006 0.000 0.983 90 F HN -0.403 8.154 8.300 0.428 0.000 0.485 91 F N -3.203 116.731 119.950 -0.026 0.000 2.126 91 F HA -0.480 3.796 4.527 -0.418 0.000 0.299 91 F C 1.652 177.327 175.800 -0.208 0.000 1.096 91 F CA 3.606 61.504 58.000 -0.170 0.000 1.255 91 F CB -0.741 38.314 39.000 0.091 0.000 0.997 91 F HN -0.795 7.639 8.300 0.230 0.004 0.479 92 A N -1.787 121.061 122.820 0.047 0.000 1.933 92 A HA -0.307 4.006 4.320 -0.011 0.000 0.218 92 A C 0.836 178.357 177.584 -0.105 0.000 1.175 92 A CA 2.206 54.226 52.037 -0.028 0.000 0.628 92 A CB -0.491 18.490 19.000 -0.031 0.000 0.814 92 A HN -0.098 7.997 8.150 0.109 0.120 0.444 93 D N -2.233 118.064 120.400 -0.172 0.000 2.104 93 D HA -0.194 4.343 4.640 -0.170 0.000 0.194 93 D C 1.076 177.248 176.300 -0.212 0.000 0.994 93 D CA 2.035 55.913 54.000 -0.204 0.000 0.830 93 D CB 0.454 41.116 40.800 -0.230 0.000 0.959 93 D HN -0.578 7.600 8.370 -0.172 0.089 0.452 94 L N -1.243 119.795 121.223 -0.308 0.000 2.586 94 L HA -0.252 3.935 4.340 -0.255 0.000 0.307 94 L C -0.932 175.859 176.870 -0.132 0.000 1.274 94 L CA 0.274 54.966 54.840 -0.246 0.000 0.857 94 L CB -0.561 41.353 42.059 -0.241 0.000 1.099 94 L HN -0.618 7.343 8.230 -0.449 0.000 0.525 95 P HA 0.001 4.381 4.420 -0.066 0.000 0.223 95 P C -1.383 175.893 177.300 -0.041 0.000 1.151 95 P CA 0.924 63.983 63.100 -0.068 0.000 0.787 95 P CB 0.481 32.143 31.700 -0.063 0.000 0.788 96 D N -2.656 117.718 120.400 -0.043 0.000 2.645 96 D HA 0.193 4.841 4.640 0.015 0.000 0.228 96 D C -2.377 173.907 176.300 -0.027 0.000 1.148 96 D CA -3.328 50.660 54.000 -0.020 0.000 0.860 96 D CB 1.133 41.913 40.800 -0.034 0.000 1.548 96 D HN -0.617 7.683 8.370 -0.061 0.033 0.460 97 P HA 0.109 4.526 4.420 -0.006 0.000 0.271 97 P C 0.090 177.373 177.300 -0.029 0.000 1.216 97 P CA -0.565 62.507 63.100 -0.046 0.000 0.771 97 P CB 1.156 32.792 31.700 -0.107 0.000 0.864 98 L N 0.980 122.222 121.223 0.031 0.000 2.085 98 L HA -0.281 4.142 4.340 0.139 0.000 0.218 98 L C 0.029 176.953 176.870 0.089 0.000 1.080 98 L CA 1.954 56.843 54.840 0.082 0.000 0.776 98 L CB 0.199 42.265 42.059 0.012 0.000 0.891 98 L HN 0.173 8.425 8.230 0.036 0.000 0.437 99 I N -3.725 116.867 120.570 0.037 0.000 2.315 99 I HA 0.252 4.485 4.170 0.104 0.000 0.291 99 I C -2.384 173.614 176.117 -0.198 0.000 1.006 99 I CA -2.947 58.359 61.300 0.010 0.000 1.265 99 I CB 0.463 38.508 38.000 0.075 0.000 1.387 99 I HN -0.940 7.263 8.210 0.013 0.015 0.475 100 P HA 0.137 4.341 4.420 -0.360 0.000 0.272 100 P C -0.131 176.892 177.300 -0.460 0.000 1.223 100 P CA -0.813 62.060 63.100 -0.379 0.000 0.784 100 P CB 0.903 32.414 31.700 -0.316 0.000 0.923 101 Y N 0.875 120.903 120.300 -0.454 0.000 2.439 101 Y HA -0.145 3.495 4.550 -1.516 0.000 0.292 101 Y C 0.931 176.668 175.900 -0.271 0.000 1.130 101 Y CA 2.508 60.191 58.100 -0.696 0.000 1.254 101 Y CB -0.264 37.867 38.460 -0.547 0.000 1.000 101 Y HN 0.299 8.407 8.280 -0.286 0.000 0.554 102 S N -2.562 113.099 115.700 -0.066 0.000 2.547 102 S HA -0.074 4.394 4.470 -0.002 0.000 0.235 102 S C 0.065 174.634 174.600 -0.051 0.000 0.980 102 S CA 2.160 60.335 58.200 -0.041 0.000 0.941 102 S CB -0.487 62.682 63.200 -0.052 0.000 0.763 102 S HN 0.035 8.251 8.310 -0.094 0.038 0.532 103 L N -3.662 117.507 121.223 -0.090 0.000 2.878 103 L HA 0.242 4.574 4.340 -0.015 0.000 0.253 103 L C 0.402 177.314 176.870 0.071 0.000 1.135 103 L CA -0.318 54.484 54.840 -0.063 0.000 0.943 103 L CB 0.597 42.487 42.059 -0.282 0.000 1.307 103 L HN -0.751 7.214 8.230 -0.132 0.186 0.545 104 H N 1.479 120.512 119.070 -0.061 0.000 2.278 104 H HA -0.350 4.162 4.556 -0.074 0.000 0.287 104 H C -0.439 174.904 175.328 0.026 0.000 1.107 104 H CA 5.724 61.759 56.048 -0.022 0.000 1.192 104 H CB -1.735 28.067 29.762 0.067 0.000 1.346 104 H HN -0.423 7.811 8.280 0.134 0.127 0.478 105 P HA -0.161 4.337 4.420 0.130 0.000 0.216 105 P C 1.409 178.769 177.300 0.099 0.000 1.153 105 P CA 3.092 66.271 63.100 0.132 0.000 0.844 105 P CB -0.159 31.615 31.700 0.122 0.000 0.787 106 E N -0.892 119.364 120.200 0.094 0.000 2.130 106 E HA -0.303 4.094 4.350 0.078 0.000 0.196 106 E C 2.729 179.396 176.600 0.111 0.000 0.998 106 E CA 2.787 59.241 56.400 0.090 0.000 0.806 106 E CB -1.195 28.554 29.700 0.083 0.000 0.738 106 E HN 0.258 8.617 8.360 0.094 0.058 0.459 107 L N -1.826 119.474 121.223 0.129 0.000 2.072 107 L HA -0.382 4.069 4.340 0.185 0.000 0.205 107 L C 1.956 178.884 176.870 0.095 0.000 1.079 107 L CA 2.844 57.776 54.840 0.153 0.000 0.752 107 L CB -0.262 41.915 42.059 0.196 0.000 0.906 107 L HN 0.336 8.620 8.230 0.120 0.018 0.436 108 L N -1.414 119.855 121.223 0.076 0.000 2.017 108 L HA -0.507 3.868 4.340 0.058 0.000 0.208 108 L C 2.357 179.256 176.870 0.049 0.000 1.073 108 L CA 3.434 58.312 54.840 0.064 0.000 0.745 108 L CB -0.743 41.365 42.059 0.082 0.000 0.894 108 L HN -0.749 7.445 8.230 0.079 0.083 0.432 109 E N -2.134 118.098 120.200 0.054 0.000 2.153 109 E HA -0.409 3.960 4.350 0.031 0.000 0.194 109 E C 0.931 177.554 176.600 0.039 0.000 0.988 109 E CA 2.768 59.193 56.400 0.042 0.000 0.811 109 E CB -0.262 29.465 29.700 0.045 0.000 0.746 109 E HN 0.097 8.496 8.360 0.065 0.000 0.466 110 A N -3.450 119.401 122.820 0.052 0.000 2.081 110 A HA 0.039 4.386 4.320 0.044 0.000 0.214 110 A C 1.053 178.650 177.584 0.022 0.000 1.158 110 A CA 1.673 53.740 52.037 0.049 0.000 0.724 110 A CB 0.102 19.152 19.000 0.083 0.000 0.826 110 A HN -0.639 7.426 8.150 0.066 0.125 0.463 111 A N -2.049 120.781 122.820 0.016 0.000 2.030 111 A HA -0.156 4.145 4.320 -0.031 0.000 0.215 111 A C 0.633 178.210 177.584 -0.013 0.000 1.164 111 A CA 2.026 54.057 52.037 -0.010 0.000 0.697 111 A CB 0.134 19.132 19.000 -0.003 0.000 0.827 111 A HN 0.002 8.018 8.150 0.033 0.154 0.457 112 K N -3.601 116.798 120.400 -0.002 0.000 2.522 112 K HA -0.138 4.172 4.320 -0.017 0.000 0.194 112 K C -0.270 176.322 176.600 -0.013 0.000 1.026 112 K CA -0.222 56.059 56.287 -0.010 0.000 1.119 112 K CB -0.532 31.965 32.500 -0.005 0.000 0.856 112 K HN -0.249 8.006 8.250 0.009 0.000 0.513 113 I N 3.384 123.947 120.570 -0.012 0.000 2.556 113 I HA 0.073 4.237 4.170 -0.011 0.000 0.284 113 I C -0.047 176.055 176.117 -0.025 0.000 1.114 113 I CA -2.088 59.203 61.300 -0.014 0.000 1.418 113 I CB 0.405 38.399 38.000 -0.009 0.000 1.394 113 I HN -0.835 7.251 8.210 -0.010 0.118 0.552 114 P HA -0.058 4.343 4.420 -0.031 0.000 0.215 114 P C -0.240 177.037 177.300 -0.037 0.000 1.157 114 P CA 1.249 64.331 63.100 -0.030 0.000 0.859 114 P CB 0.204 31.888 31.700 -0.025 0.000 0.786 115 D N 0.892 121.270 120.400 -0.036 0.000 2.346 115 D HA -0.016 4.596 4.640 -0.046 0.000 0.267 115 D C 0.785 177.051 176.300 -0.058 0.000 1.320 115 D CA -0.255 53.718 54.000 -0.045 0.000 0.951 115 D CB -0.598 40.177 40.800 -0.040 0.000 1.079 115 D HN -0.040 8.312 8.370 -0.030 0.000 0.509 116 K N 6.981 127.338 120.400 -0.072 0.000 2.030 116 K HA -0.491 3.770 4.320 -0.098 0.000 0.222 116 K C 1.432 177.953 176.600 -0.130 0.000 1.056 116 K CA 3.467 59.692 56.287 -0.103 0.000 0.957 116 K CB -0.387 32.044 32.500 -0.115 0.000 0.727 116 K HN 0.105 8.316 8.250 -0.066 0.000 0.452 117 T N -0.461 114.020 114.554 -0.122 0.000 2.635 117 T HA -0.415 3.809 4.350 -0.210 0.000 0.267 117 T C 1.438 176.134 174.700 -0.007 0.000 1.040 117 T CA 5.203 67.242 62.100 -0.101 0.000 1.156 117 T CB -1.013 67.821 68.868 -0.057 0.000 0.863 117 T HN -0.006 8.170 8.240 -0.106 0.000 0.430 118 E N 0.880 121.068 120.200 -0.020 0.000 2.049 118 E HA -0.419 3.946 4.350 0.025 0.000 0.198 118 E C 2.517 179.134 176.600 0.028 0.000 1.007 118 E CA 3.542 59.947 56.400 0.008 0.000 0.809 118 E CB -0.940 28.751 29.700 -0.016 0.000 0.749 118 E HN 0.199 8.533 8.360 -0.044 0.000 0.450 119 R N -0.194 120.296 120.500 -0.017 0.000 2.117 119 R HA -0.293 4.200 4.340 0.001 -0.152 0.243 119 R C 2.760 179.046 176.300 -0.023 0.000 1.143 119 R CA 3.267 59.354 56.100 -0.022 0.000 0.968 119 R CB -0.127 30.143 30.300 -0.051 0.000 0.863 119 R HN 0.149 8.398 8.270 -0.036 0.000 0.444 120 L N -1.192 119.977 121.223 -0.090 0.000 1.993 120 L HA -0.406 3.830 4.340 -0.173 0.000 0.206 120 L C 1.619 178.476 176.870 -0.023 0.000 1.074 120 L CA 3.349 58.069 54.840 -0.199 0.000 0.746 120 L CB -0.355 41.365 42.059 -0.565 0.000 0.896 120 L HN -0.284 7.771 8.230 -0.111 0.109 0.435 121 H N -1.667 117.416 119.070 0.022 0.000 2.357 121 H HA -0.491 4.165 4.556 0.166 0.000 0.296 121 H C 2.500 177.888 175.328 0.100 0.000 1.108 121 H CA 3.978 60.090 56.048 0.106 0.000 1.273 121 H CB 0.152 29.965 29.762 0.084 0.000 1.367 121 H HN -0.011 8.384 8.280 0.192 0.000 0.498 122 A N -1.722 121.215 122.820 0.194 0.000 1.865 122 A HA -0.256 4.152 4.320 0.147 0.000 0.217 122 A C 2.669 180.362 177.584 0.182 0.000 1.191 122 A CA 2.876 55.003 52.037 0.151 0.000 0.623 122 A CB -0.435 18.625 19.000 0.100 0.000 0.826 122 A HN 0.304 8.550 8.150 0.173 0.008 0.444 123 L N -1.609 119.732 121.223 0.195 0.000 2.042 123 L HA -0.528 3.970 4.340 0.263 0.000 0.210 123 L C 2.205 179.329 176.870 0.423 0.000 1.076 123 L CA 3.075 58.086 54.840 0.286 0.000 0.749 123 L CB -0.504 41.654 42.059 0.165 0.000 0.893 123 L HN -0.550 7.768 8.230 0.147 0.000 0.432 124 K N -2.434 118.215 120.400 0.414 0.000 2.281 124 K HA -0.361 4.262 4.320 0.504 0.000 0.203 124 K C 2.052 178.805 176.600 0.255 0.000 1.046 124 K CA 3.045 59.548 56.287 0.360 0.000 0.938 124 K CB -0.431 32.164 32.500 0.158 0.000 0.737 124 K HN -0.220 8.226 8.250 0.335 0.006 0.458 125 E N -3.022 117.311 120.200 0.222 0.000 2.299 125 E HA -0.154 4.282 4.350 0.143 0.000 0.193 125 E C 1.178 177.887 176.600 0.181 0.000 0.998 125 E CA 1.797 58.298 56.400 0.169 0.000 0.851 125 E CB 0.424 30.208 29.700 0.141 0.000 0.795 125 E HN -0.348 7.960 8.360 0.230 0.190 0.492 126 I N -1.819 118.899 120.570 0.248 0.000 3.081 126 I HA -0.107 4.186 4.170 0.205 0.000 0.274 126 I C 1.387 177.761 176.117 0.429 0.000 1.178 126 I CA 2.413 63.884 61.300 0.285 0.000 1.460 126 I CB 1.192 39.374 38.000 0.303 0.000 1.137 126 I HN -0.185 8.025 8.210 0.282 0.169 0.443 127 V N 1.093 121.254 119.914 0.410 0.000 2.688 127 V HA -0.419 3.691 4.120 -0.016 0.000 0.256 127 V C 0.510 176.772 176.094 0.279 0.000 1.084 127 V CA 3.570 66.038 62.300 0.279 0.000 1.103 127 V CB 0.129 32.128 31.823 0.294 0.000 0.688 127 V HN 0.286 8.717 8.190 0.402 0.000 0.480 128 K N -4.111 116.382 120.400 0.155 0.000 2.137 128 K HA -0.202 3.855 4.320 -0.438 0.000 0.202 128 K C 0.827 177.382 176.600 -0.075 0.000 1.052 128 K CA 2.377 58.600 56.287 -0.106 0.000 0.961 128 K CB -0.162 32.321 32.500 -0.028 0.000 0.741 128 K HN -0.198 8.123 8.250 0.210 0.055 0.452 129 K N -3.584 116.866 120.400 0.082 0.000 2.283 129 K HA -0.194 4.117 4.320 -0.014 0.000 0.202 129 K C 0.865 177.491 176.600 0.043 0.000 1.048 129 K CA 0.994 57.302 56.287 0.037 0.000 0.948 129 K CB -0.070 32.449 32.500 0.032 0.000 0.742 129 K HN -0.629 7.608 8.250 0.157 0.107 0.458 130 F N -1.045 118.876 119.950 -0.048 0.000 2.635 130 F HA -0.291 4.253 4.527 0.029 0.000 0.379 130 F C 0.155 175.986 175.800 0.050 0.000 1.094 130 F CA 1.165 59.180 58.000 0.026 0.000 1.300 130 F CB 0.110 39.182 39.000 0.119 0.000 1.035 130 F HN -1.001 7.570 8.300 0.519 0.041 0.581 131 H N 5.665 124.803 119.070 0.114 0.000 3.134 131 H HA -0.165 4.417 4.556 0.043 0.000 0.326 131 H C -0.192 175.232 175.328 0.160 0.000 1.017 131 H CA 1.562 57.667 56.048 0.095 0.000 1.359 131 H CB 0.910 30.716 29.762 0.074 0.000 1.300 131 H HN 0.307 8.710 8.280 0.204 0.000 0.596 132 P HA -0.008 4.475 4.420 0.104 0.000 0.239 132 P C -1.044 176.385 177.300 0.216 0.000 1.184 132 P CA 1.693 64.831 63.100 0.063 0.000 0.760 132 P CB 0.210 31.866 31.700 -0.073 0.000 0.884 133 V N -2.652 117.502 119.914 0.400 0.000 2.908 133 V HA -0.107 4.158 4.120 0.242 0.000 0.240 133 V C 0.961 177.227 176.094 0.286 0.000 1.117 133 V CA 1.890 64.391 62.300 0.336 0.000 1.133 133 V CB 0.928 32.962 31.823 0.350 0.000 0.857 133 V HN -0.649 7.785 8.190 0.594 0.112 0.478 134 N N -0.802 118.094 118.700 0.325 0.000 2.290 134 N HA -0.221 4.684 4.740 0.275 0.000 0.179 134 N C 1.248 176.951 175.510 0.322 0.000 1.016 134 N CA 3.454 56.683 53.050 0.298 0.000 0.871 134 N CB 0.506 39.152 38.487 0.264 0.000 0.987 134 N HN -0.254 8.368 8.380 0.403 0.000 0.431 135 Y N 1.478 121.918 120.300 0.235 0.000 2.151 135 Y HA -0.533 4.084 4.550 0.113 0.000 0.284 135 Y C 1.033 176.999 175.900 0.110 0.000 1.166 135 Y CA 4.189 62.385 58.100 0.159 0.000 1.163 135 Y CB -0.056 38.496 38.460 0.152 0.000 0.974 135 Y HN 0.265 8.840 8.280 0.492 0.000 0.511 136 D N -2.315 118.169 120.400 0.140 0.000 2.123 136 D HA -0.303 4.283 4.640 -0.091 0.000 0.196 136 D C 2.212 178.498 176.300 -0.023 0.000 0.992 136 D CA 4.065 58.073 54.000 0.013 0.000 0.833 136 D CB -0.422 40.437 40.800 0.099 0.000 0.954 136 D HN 0.274 8.810 8.370 0.292 0.009 0.455 137 V N -0.174 119.795 119.914 0.092 0.000 2.283 137 V HA -0.358 3.826 4.120 0.107 0.000 0.243 137 V C 1.749 177.928 176.094 0.141 0.000 1.039 137 V CA 2.955 65.352 62.300 0.161 0.000 1.016 137 V CB -0.463 31.550 31.823 0.317 0.000 0.650 137 V HN -0.739 7.442 8.190 0.152 0.101 0.449 138 F N 1.458 121.371 119.950 -0.062 0.000 2.063 138 F HA -0.564 3.879 4.527 -0.141 0.000 0.298 138 F C 1.355 176.976 175.800 -0.298 0.000 1.109 138 F CA 4.378 62.258 58.000 -0.200 0.000 1.212 138 F CB 0.049 38.858 39.000 -0.319 0.000 0.973 138 F HN 0.316 8.764 8.300 0.247 0.000 0.480 139 R N -2.243 118.022 120.500 -0.391 0.000 2.139 139 R HA -0.561 3.251 4.340 -0.880 0.000 0.243 139 R C 1.472 177.450 176.300 -0.537 0.000 1.145 139 R CA 3.779 59.377 56.100 -0.837 0.000 0.976 139 R CB -0.209 29.311 30.300 -1.300 0.000 0.866 139 R HN 0.094 8.153 8.270 -0.351 0.000 0.449 140 Y N -0.694 119.382 120.300 -0.373 0.000 2.286 140 Y HA -0.209 4.231 4.550 -0.184 0.000 0.293 140 Y C 1.687 177.507 175.900 -0.134 0.000 1.124 140 Y CA 3.059 61.042 58.100 -0.196 0.000 1.178 140 Y CB 0.358 38.754 38.460 -0.108 0.000 1.010 140 Y HN -0.338 7.744 8.280 -0.096 0.140 0.536 141 V N 0.333 120.252 119.914 0.009 0.000 2.237 141 V HA -0.518 3.670 4.120 0.113 0.000 0.245 141 V C 1.959 177.884 176.094 -0.281 0.000 1.046 141 V CA 3.812 66.079 62.300 -0.055 0.000 1.007 141 V CB -0.816 30.969 31.823 -0.063 0.000 0.638 141 V HN 0.277 8.291 8.190 0.023 0.189 0.445 142 I N -2.025 118.245 120.570 -0.501 0.000 2.300 142 I HA -0.485 3.391 4.170 -0.490 0.000 0.252 142 I C 2.341 178.335 176.117 -0.205 0.000 1.119 142 I CA 3.451 64.484 61.300 -0.444 0.000 1.384 142 I CB -1.897 35.801 38.000 -0.503 0.000 1.062 142 I HN 0.482 8.274 8.210 -0.697 0.000 0.426 143 T N 1.062 115.528 114.554 -0.147 0.000 2.746 143 T HA -0.264 4.105 4.350 0.031 0.000 0.267 143 T C 2.012 176.634 174.700 -0.131 0.000 1.039 143 T CA 4.396 66.454 62.100 -0.070 0.000 1.142 143 T CB -0.455 68.376 68.868 -0.060 0.000 0.866 143 T HN -0.494 7.506 8.240 -0.212 0.113 0.444 144 H N 3.607 122.511 119.070 -0.276 0.000 2.293 144 H HA -0.222 4.223 4.556 -0.185 0.000 0.300 144 H C 2.187 177.424 175.328 -0.152 0.000 1.082 144 H CA 3.490 59.418 56.048 -0.200 0.000 1.308 144 H CB -0.131 29.541 29.762 -0.149 0.000 1.375 144 H HN -0.465 7.622 8.280 -0.158 0.098 0.495 145 L N -2.026 119.016 121.223 -0.303 0.000 1.990 145 L HA -0.579 3.505 4.340 -0.427 0.000 0.213 145 L C 1.896 178.606 176.870 -0.268 0.000 1.072 145 L CA 3.377 57.985 54.840 -0.387 0.000 0.755 145 L CB -0.500 41.257 42.059 -0.504 0.000 0.889 145 L HN -0.204 7.886 8.230 -0.234 0.000 0.432 146 N N -1.654 116.924 118.700 -0.203 0.000 2.061 146 N HA -0.398 4.268 4.740 -0.123 0.000 0.193 146 N C 2.610 178.035 175.510 -0.142 0.000 1.030 146 N CA 3.478 56.444 53.050 -0.139 0.000 0.856 146 N CB 0.177 38.609 38.487 -0.092 0.000 1.023 146 N HN -0.369 7.890 8.380 -0.202 0.000 0.424 147 R N -1.888 118.511 120.500 -0.169 0.000 2.170 147 R HA -0.353 3.911 4.340 -0.126 0.000 0.242 147 R C 2.265 178.483 176.300 -0.137 0.000 1.145 147 R CA 2.954 58.963 56.100 -0.151 0.000 0.984 147 R CB -0.264 29.945 30.300 -0.152 0.000 0.869 147 R HN -0.474 7.686 8.270 -0.182 0.000 0.455 148 V N -0.886 118.924 119.914 -0.173 0.000 2.302 148 V HA -0.239 3.827 4.120 -0.091 0.000 0.243 148 V C 2.278 178.353 176.094 -0.031 0.000 1.036 148 V CA 2.436 64.673 62.300 -0.106 0.000 1.020 148 V CB -0.038 31.726 31.823 -0.098 0.000 0.657 148 V HN -0.249 7.641 8.190 -0.232 0.160 0.453 149 S N 0.618 116.289 115.700 -0.049 0.000 2.423 149 S HA -0.343 4.368 4.470 0.021 -0.229 0.238 149 S C 2.727 177.341 174.600 0.023 0.000 1.028 149 S CA 3.393 61.575 58.200 -0.029 0.000 1.000 149 S CB -0.358 62.783 63.200 -0.100 0.000 0.797 149 S HN -0.430 7.823 8.310 -0.093 0.000 0.487 150 Q N 1.264 121.066 119.800 0.004 0.000 2.077 150 Q HA -0.308 4.051 4.340 0.032 0.000 0.206 150 Q C 1.626 177.698 176.000 0.120 0.000 0.989 150 Q CA 2.768 58.593 55.803 0.037 0.000 0.853 150 Q CB -0.220 28.508 28.738 -0.017 0.000 0.907 150 Q HN -0.576 7.635 8.270 -0.038 0.036 0.418 151 Q N -3.592 116.253 119.800 0.075 0.000 2.237 151 Q HA 0.305 4.660 4.340 0.024 0.000 0.252 151 Q C 0.182 176.205 176.000 0.038 0.000 0.877 151 Q CA -1.926 53.899 55.803 0.038 0.000 1.011 151 Q CB -1.468 27.266 28.738 -0.007 0.000 1.118 151 Q HN -0.426 7.866 8.270 0.037 0.000 0.458 152 H N -2.500 116.558 119.070 -0.021 0.000 2.489 152 H HA -0.233 4.732 4.556 -0.004 -0.412 0.295 152 H C 0.887 176.212 175.328 -0.005 0.000 1.082 152 H CA 2.210 58.252 56.048 -0.009 0.000 1.295 152 H CB -0.241 29.516 29.762 -0.007 0.000 1.380 152 H HN -0.304 8.042 8.280 0.414 0.183 0.548 153 K N -2.607 117.439 120.400 -0.591 0.000 2.288 153 K HA -0.221 3.829 4.320 -0.451 0.000 0.201 153 K C 0.578 177.067 176.600 -0.184 0.000 1.048 153 K CA 1.666 57.689 56.287 -0.440 0.000 0.956 153 K CB -0.338 31.921 32.500 -0.402 0.000 0.746 153 K HN 0.040 7.901 8.250 -0.577 0.043 0.461 154 I N -2.543 117.955 120.570 -0.121 0.000 2.900 154 I HA -0.157 3.973 4.170 -0.066 0.000 0.251 154 I C 0.973 177.066 176.117 -0.040 0.000 1.102 154 I CA 2.279 63.539 61.300 -0.067 0.000 1.457 154 I CB 0.869 38.837 38.000 -0.053 0.000 1.285 154 I HN -0.075 7.890 8.210 -0.122 0.173 0.459 155 N N -1.521 117.166 118.700 -0.023 0.000 2.520 155 N HA -0.233 4.577 4.740 -0.010 -0.076 0.185 155 N C -0.123 175.397 175.510 0.018 0.000 1.068 155 N CA 1.174 54.223 53.050 -0.002 0.000 0.911 155 N CB 0.251 38.743 38.487 0.009 0.000 0.961 155 N HN -0.044 8.322 8.380 -0.024 0.000 0.446 156 L N -6.221 115.008 121.223 0.011 0.000 3.601 156 L HA -0.346 4.156 4.340 0.015 -0.153 0.469 156 L C -1.437 175.478 176.870 0.075 0.000 1.294 156 L CA 0.702 55.560 54.840 0.030 0.000 0.829 156 L CB -2.335 39.737 42.059 0.021 0.000 1.628 156 L HN -0.666 7.416 8.230 -0.017 0.138 0.868 157 M N -1.414 118.253 119.600 0.110 0.000 2.234 157 M HA 0.230 4.780 4.480 0.117 0.000 0.267 157 M C -1.413 174.967 176.300 0.134 0.000 1.022 157 M CA -1.439 53.935 55.300 0.123 0.000 0.993 157 M CB 3.375 36.052 32.600 0.128 0.000 1.836 157 M HN -0.406 8.053 8.290 0.122 -0.097 0.479 158 T N -0.141 114.473 114.554 0.100 0.000 2.945 158 T HA 0.316 4.658 4.350 -0.014 0.000 0.286 158 T C 0.426 175.117 174.700 -0.016 0.000 1.025 158 T CA -2.163 59.943 62.100 0.010 0.000 1.039 158 T CB 2.668 71.513 68.868 -0.040 0.000 1.068 158 T HN 0.013 8.314 8.240 0.100 0.000 0.497 159 A N 2.757 125.536 122.820 -0.069 0.000 1.929 159 A HA -0.446 3.827 4.320 -0.078 0.000 0.221 159 A C 1.504 179.077 177.584 -0.018 0.000 1.211 159 A CA 3.817 55.817 52.037 -0.061 0.000 0.657 159 A CB -0.977 17.981 19.000 -0.070 0.000 0.827 159 A HN 0.768 8.847 8.150 -0.118 0.000 0.462 160 D N -2.721 117.677 120.400 -0.004 0.000 2.088 160 D HA -0.369 4.293 4.640 0.037 0.000 0.191 160 D C 2.554 178.897 176.300 0.071 0.000 0.992 160 D CA 3.414 57.433 54.000 0.031 0.000 0.831 160 D CB -0.740 40.073 40.800 0.022 0.000 0.973 160 D HN 0.200 8.549 8.370 -0.027 0.005 0.447 161 N N 0.366 119.110 118.700 0.073 0.000 2.049 161 N HA -0.334 4.473 4.740 0.110 0.000 0.198 161 N C 2.473 178.068 175.510 0.142 0.000 1.030 161 N CA 2.728 55.842 53.050 0.106 0.000 0.870 161 N CB -0.285 38.264 38.487 0.103 0.000 1.045 161 N HN -0.685 7.728 8.380 0.054 0.000 0.434 162 L N -1.763 119.532 121.223 0.120 0.000 1.976 162 L HA -0.361 4.132 4.340 0.254 0.000 0.209 162 L C 2.655 179.654 176.870 0.215 0.000 1.071 162 L CA 3.380 58.312 54.840 0.154 0.000 0.746 162 L CB -0.234 41.810 42.059 -0.025 0.000 0.890 162 L HN 0.028 8.307 8.230 0.078 -0.002 0.432 163 S N -0.338 115.424 115.700 0.103 0.000 2.407 163 S HA -0.419 4.133 4.470 0.137 0.000 0.235 163 S C 2.196 176.983 174.600 0.311 0.000 1.036 163 S CA 3.461 61.760 58.200 0.164 0.000 1.013 163 S CB -0.380 62.885 63.200 0.108 0.000 0.820 163 S HN 0.216 8.444 8.310 0.037 0.104 0.476 164 I N 0.719 121.457 120.570 0.281 0.000 2.439 164 I HA -0.269 4.216 4.170 0.525 0.000 0.251 164 I C 1.610 177.911 176.117 0.308 0.000 1.139 164 I CA 3.044 64.561 61.300 0.362 0.000 1.438 164 I CB 0.294 38.444 38.000 0.248 0.000 1.085 164 I HN 0.383 8.593 8.210 0.210 0.126 0.427 165 C N -2.115 117.329 119.300 0.240 0.000 2.673 165 C HA -0.028 4.449 4.460 0.029 0.000 0.274 165 C C -0.746 174.237 174.990 -0.012 0.000 1.276 165 C CA 0.470 59.551 59.018 0.105 0.000 1.701 165 C CB -0.225 27.590 27.740 0.126 0.000 1.836 165 C HN -0.017 8.256 8.230 0.276 0.123 0.596 166 F N -1.603 118.350 119.950 0.005 0.000 2.747 166 F HA 0.160 4.653 4.527 -0.056 0.000 0.305 166 F C 0.583 176.392 175.800 0.016 0.000 1.065 166 F CA 1.228 59.213 58.000 -0.024 0.000 1.230 166 F CB 2.679 41.652 39.000 -0.045 0.000 1.027 166 F HN -0.779 7.537 8.300 0.372 0.208 0.607 167 W N 0.745 122.151 121.300 0.177 0.000 2.388 167 W HA -0.086 4.645 4.660 0.119 0.000 0.294 167 W C -1.369 175.200 176.519 0.083 0.000 1.212 167 W CA 3.473 60.892 57.345 0.123 0.000 1.271 167 W CB -2.909 26.629 29.460 0.129 0.000 1.126 167 W HN 0.246 8.691 8.180 0.442 0.000 0.535 168 P HA -0.265 2.745 4.420 -2.349 0.000 0.217 168 P C -0.122 176.779 177.300 -0.665 0.000 1.148 168 P CA 2.792 65.051 63.100 -1.401 0.000 0.834 168 P CB -0.518 30.711 31.700 -0.785 0.000 0.783 169 T N -2.256 112.090 114.554 -0.347 0.000 3.234 169 T HA 0.044 4.293 4.350 -0.169 0.000 0.235 169 T C 1.472 176.134 174.700 -0.064 0.000 0.971 169 T CA 2.170 64.171 62.100 -0.166 0.000 1.292 169 T CB 0.908 69.710 68.868 -0.110 0.000 0.994 169 T HN -0.822 7.202 8.240 -0.305 0.033 0.412 170 L N -0.921 120.293 121.223 -0.015 0.000 2.151 170 L HA -0.388 3.932 4.340 -0.033 0.000 0.219 170 L C -0.157 176.748 176.870 0.058 0.000 1.083 170 L CA 3.059 57.917 54.840 0.031 0.000 0.782 170 L CB 0.012 42.146 42.059 0.125 0.000 0.891 170 L HN -0.349 7.868 8.230 -0.021 0.000 0.439 171 M N -4.853 114.816 119.600 0.114 0.000 2.022 171 M HA 0.193 4.669 4.480 -0.007 0.000 0.298 171 M C -1.979 174.424 176.300 0.172 0.000 0.909 171 M CA -0.699 54.667 55.300 0.111 0.000 0.914 171 M CB 1.813 34.508 32.600 0.160 0.000 1.486 171 M HN -0.715 7.625 8.290 0.132 0.029 0.415 172 R N 4.322 124.890 120.500 0.113 0.000 2.287 172 R HA 0.472 4.878 4.340 0.110 0.000 0.316 172 R C -2.614 173.833 176.300 0.244 0.000 1.050 172 R CA -3.667 52.513 56.100 0.132 0.000 0.983 172 R CB 0.001 30.338 30.300 0.062 0.000 1.140 172 R HN 0.172 8.486 8.270 0.075 0.000 0.528 173 P HA 0.040 4.555 4.420 0.158 0.000 0.271 173 P C -1.378 175.664 177.300 -0.431 0.000 1.220 173 P CA -0.354 62.697 63.100 -0.080 0.000 0.768 173 P CB 0.434 32.088 31.700 -0.076 0.000 0.848 174 D N 3.416 123.461 120.400 -0.592 0.000 2.408 174 D HA 0.195 4.623 4.640 -0.353 0.000 0.261 174 D C -1.055 174.987 176.300 -0.430 0.000 1.190 174 D CA -0.121 53.614 54.000 -0.442 0.000 0.910 174 D CB 0.463 41.120 40.800 -0.239 0.000 1.097 174 D HN 0.191 8.270 8.370 -0.485 0.000 0.522 175 F N 0.983 120.971 119.950 0.063 0.000 2.480 175 F HA 0.131 4.670 4.527 0.020 0.000 0.280 175 F C 0.049 175.867 175.800 0.031 0.000 1.002 175 F CA -1.031 56.995 58.000 0.044 0.000 1.325 175 F CB 0.773 39.816 39.000 0.071 0.000 1.134 175 F HN -0.270 7.757 8.300 -0.456 0.000 0.646 176 E N -1.193 119.136 120.200 0.215 0.000 2.365 176 E HA -0.299 4.129 4.350 0.131 0.000 0.237 176 E C -1.741 174.932 176.600 0.121 0.000 1.238 176 E CA 0.591 57.068 56.400 0.129 0.000 0.718 176 E CB -1.070 28.665 29.700 0.060 0.000 1.218 176 E HN 0.178 8.684 8.360 0.242 0.000 0.387 177 N N -2.429 116.365 118.700 0.158 0.000 2.240 177 N HA 0.131 4.920 4.740 0.081 0.000 0.302 177 N C -0.020 175.547 175.510 0.096 0.000 1.106 177 N CA -0.636 52.479 53.050 0.107 0.000 0.778 177 N CB 2.047 40.595 38.487 0.102 0.000 1.431 177 N HN -0.260 8.239 8.380 0.226 0.016 0.479 178 R N 2.034 122.574 120.500 0.067 0.000 3.097 178 R HA -0.086 4.295 4.340 0.069 0.000 0.212 178 R C -0.510 175.830 176.300 0.065 0.000 1.651 178 R CA 0.576 56.712 56.100 0.061 0.000 1.134 178 R CB -1.018 29.305 30.300 0.039 0.000 1.241 178 R HN 0.379 8.682 8.270 0.056 0.000 0.640 179 E N 1.451 121.705 120.200 0.089 0.000 2.304 179 E HA 0.155 4.553 4.350 0.081 0.000 0.277 179 E C -1.491 175.203 176.600 0.156 0.000 0.898 179 E CA -0.422 56.027 56.400 0.081 0.000 0.764 179 E CB 2.244 31.950 29.700 0.009 0.000 1.216 179 E HN -0.063 8.337 8.360 0.110 0.026 0.419 180 F N 2.848 122.777 119.950 -0.034 0.000 2.661 180 F HA 0.236 4.743 4.527 -0.032 0.000 0.347 180 F C -0.193 175.578 175.800 -0.047 0.000 1.086 180 F CA -0.587 57.393 58.000 -0.033 0.000 1.016 180 F CB 1.732 40.723 39.000 -0.015 0.000 1.368 180 F HN -0.052 8.368 8.300 0.201 0.000 0.505 181 L N 0.183 120.925 121.223 -0.802 0.000 3.597 181 L HA -0.394 3.547 4.340 -0.665 0.000 0.440 181 L C -1.403 175.273 176.870 -0.323 0.000 1.277 181 L CA 0.586 55.125 54.840 -0.501 0.000 0.852 181 L CB -1.589 40.366 42.059 -0.173 0.000 1.708 181 L HN 0.227 7.119 8.230 -2.230 0.000 0.885 182 S N -1.676 113.802 115.700 -0.369 0.000 2.727 182 S HA 0.085 4.423 4.470 -0.220 0.000 0.249 182 S C 0.114 174.554 174.600 -0.267 0.000 1.079 182 S CA -0.341 57.691 58.200 -0.279 0.000 0.912 182 S CB 1.120 64.134 63.200 -0.311 0.000 0.861 182 S HN 0.090 8.101 8.310 -0.498 0.000 0.484 183 T N 2.585 116.966 114.554 -0.288 0.000 2.897 183 T HA -0.141 4.095 4.350 -0.191 0.000 0.304 183 T C -0.700 173.863 174.700 -0.229 0.000 1.051 183 T CA 1.278 63.241 62.100 -0.228 0.000 1.132 183 T CB 0.539 69.287 68.868 -0.200 0.000 1.066 183 T HN -0.368 7.662 8.240 -0.350 0.000 0.518 184 T N -0.627 113.757 114.554 -0.282 0.000 2.921 184 T HA 0.067 4.301 4.350 -0.193 0.000 0.297 184 T C -0.276 174.218 174.700 -0.344 0.000 1.013 184 T CA -0.963 60.981 62.100 -0.260 0.000 0.990 184 T CB 2.310 71.071 68.868 -0.178 0.000 1.023 184 T HN -0.289 7.734 8.240 -0.362 0.000 0.447 185 K N 7.465 127.727 120.400 -0.229 0.000 3.226 185 K HA 0.116 4.254 4.320 -0.303 0.000 0.268 185 K C -1.240 175.251 176.600 -0.182 0.000 1.217 185 K CA -0.486 55.667 56.287 -0.223 0.000 1.242 185 K CB -1.047 31.367 32.500 -0.142 0.000 1.389 185 K HN 0.658 8.805 8.250 -0.172 0.000 0.406 186 I N -1.347 119.118 120.570 -0.175 0.000 3.883 186 I HA 0.011 4.138 4.170 -0.072 0.000 0.305 186 I C 0.598 176.695 176.117 -0.034 0.000 1.247 186 I CA 0.411 61.671 61.300 -0.067 0.000 1.350 186 I CB 1.569 39.571 38.000 0.003 0.000 1.194 186 I HN -0.499 7.461 8.210 -0.246 0.102 0.441 187 H N 1.081 119.968 119.070 -0.304 0.000 2.400 187 H HA -0.484 3.957 4.556 -0.192 0.000 0.295 187 H C 2.171 177.297 175.328 -0.337 0.000 1.118 187 H CA 3.157 58.980 56.048 -0.375 0.000 1.256 187 H CB -0.271 29.036 29.762 -0.758 0.000 1.365 187 H HN -0.383 7.859 8.280 -0.063 0.000 0.502 188 Q N -1.228 118.375 119.800 -0.328 0.000 2.046 188 Q HA -0.304 3.994 4.340 -0.070 0.000 0.200 188 Q C 1.739 177.733 176.000 -0.010 0.000 0.975 188 Q CA 3.634 59.335 55.803 -0.170 0.000 0.836 188 Q CB -0.316 28.310 28.738 -0.186 0.000 0.896 188 Q HN 0.489 8.492 8.270 -0.420 0.015 0.428 189 S N 0.816 116.495 115.700 -0.035 0.000 2.348 189 S HA -0.363 4.106 4.470 -0.002 0.000 0.221 189 S C 2.005 176.615 174.600 0.017 0.000 1.033 189 S CA 4.128 62.322 58.200 -0.010 0.000 1.010 189 S CB -0.373 62.809 63.200 -0.030 0.000 0.891 189 S HN -0.752 7.430 8.310 -0.078 0.081 0.442 190 V N 1.935 121.866 119.914 0.029 0.000 2.236 190 V HA -0.586 3.523 4.120 -0.019 0.000 0.255 190 V C 1.591 177.792 176.094 0.177 0.000 1.068 190 V CA 4.878 67.218 62.300 0.066 0.000 1.044 190 V CB -0.339 31.555 31.823 0.120 0.000 0.653 190 V HN 0.203 8.401 8.190 0.014 0.000 0.448 191 V N -1.950 118.108 119.914 0.240 0.000 2.233 191 V HA -0.592 3.810 4.120 0.470 0.000 0.247 191 V C 1.587 177.787 176.094 0.178 0.000 1.050 191 V CA 4.266 66.742 62.300 0.293 0.000 1.010 191 V CB -0.552 31.422 31.823 0.251 0.000 0.637 191 V HN -0.909 7.395 8.190 0.190 0.000 0.444 192 E N -0.472 119.789 120.200 0.102 0.000 2.082 192 E HA -0.514 3.854 4.350 0.030 0.000 0.215 192 E C 2.324 178.948 176.600 0.039 0.000 1.048 192 E CA 3.281 59.709 56.400 0.047 0.000 0.869 192 E CB -0.229 29.488 29.700 0.028 0.000 0.773 192 E HN -0.678 7.748 8.360 0.109 0.000 0.466 193 T N 1.917 116.483 114.554 0.019 0.000 2.624 193 T HA -0.369 4.128 4.350 0.021 -0.135 0.268 193 T C 2.097 176.856 174.700 0.099 0.000 1.041 193 T CA 4.634 66.744 62.100 0.016 0.000 1.159 193 T CB -0.558 68.275 68.868 -0.059 0.000 0.863 193 T HN -0.043 8.202 8.240 0.008 0.000 0.434 194 F N -0.451 119.486 119.950 -0.022 0.000 2.184 194 F HA -0.361 3.619 4.527 -0.912 0.000 0.301 194 F C 1.802 177.505 175.800 -0.161 0.000 1.076 194 F CA 3.616 61.411 58.000 -0.342 0.000 1.295 194 F CB -0.644 38.189 39.000 -0.279 0.000 1.026 194 F HN -0.559 7.716 8.300 -0.042 0.000 0.494 195 I N -1.563 119.059 120.570 0.088 0.000 2.270 195 I HA -0.477 3.677 4.170 -0.026 0.000 0.239 195 I C 2.866 179.004 176.117 0.036 0.000 1.080 195 I CA 3.263 64.565 61.300 0.003 0.000 1.383 195 I CB 0.109 38.063 38.000 -0.076 0.000 1.097 195 I HN -0.107 8.002 8.210 0.094 0.158 0.420 196 Q N 0.144 119.961 119.800 0.028 0.000 2.096 196 Q HA -0.346 3.978 4.340 -0.027 0.000 0.208 196 Q C 2.280 178.312 176.000 0.053 0.000 0.993 196 Q CA 3.235 59.043 55.803 0.009 0.000 0.862 196 Q CB 0.037 28.766 28.738 -0.016 0.000 0.915 196 Q HN 0.094 8.377 8.270 0.023 0.000 0.416 197 Q N -4.601 115.287 119.800 0.146 0.000 2.246 197 Q HA 0.189 4.578 4.340 0.083 0.000 0.202 197 Q C 0.824 177.071 176.000 0.412 0.000 0.883 197 Q CA -0.827 55.088 55.803 0.185 0.000 0.952 197 Q CB -0.886 27.873 28.738 0.034 0.000 1.078 197 Q HN 0.282 8.557 8.270 0.185 0.106 0.493 198 C N 0.091 119.592 119.300 0.336 0.000 2.391 198 C HA -0.473 4.267 4.460 0.276 -0.114 0.276 198 C C 1.402 176.597 174.990 0.341 0.000 1.191 198 C CA 3.983 63.182 59.018 0.301 0.000 1.808 198 C CB -0.397 27.452 27.740 0.181 0.000 2.095 198 C HN -0.009 8.106 8.230 0.217 0.245 0.478 199 Q N -2.217 117.750 119.800 0.278 0.000 1.941 199 Q HA -0.282 4.388 4.340 0.550 0.000 0.201 199 Q C 2.160 178.311 176.000 0.251 0.000 0.982 199 Q CA 2.858 58.848 55.803 0.312 0.000 0.839 199 Q CB -0.892 27.932 28.738 0.143 0.000 0.904 199 Q HN 0.144 8.511 8.270 0.195 0.020 0.427 200 F N -0.181 119.765 119.950 -0.007 0.000 2.323 200 F HA -0.278 4.131 4.527 -0.085 0.067 0.301 200 F C 1.982 177.622 175.800 -0.265 0.000 1.060 200 F CA 2.265 60.174 58.000 -0.151 0.000 1.398 200 F CB -0.317 38.525 39.000 -0.264 0.000 1.075 200 F HN -0.134 8.322 8.300 0.260 0.000 0.540 201 F N -1.690 118.183 119.950 -0.128 0.000 2.187 201 F HA -0.223 4.104 4.527 -0.332 0.000 0.295 201 F C 0.383 175.816 175.800 -0.612 0.000 1.091 201 F CA 3.992 61.711 58.000 -0.469 0.000 1.308 201 F CB 0.360 38.930 39.000 -0.716 0.000 1.030 201 F HN -0.156 8.074 8.300 0.181 0.179 0.487 202 F N -4.386 115.685 119.950 0.202 0.000 2.495 202 F HA 0.064 4.586 4.527 -0.008 0.000 0.272 202 F C 0.933 176.664 175.800 -0.116 0.000 0.919 202 F CA 0.814 58.807 58.000 -0.011 0.000 1.178 202 F CB -0.036 38.887 39.000 -0.128 0.000 1.030 202 F HN -0.600 7.615 8.300 0.005 0.088 0.777 203 Y N -3.273 117.147 120.300 0.200 0.000 2.632 203 Y HA -0.141 4.467 4.550 0.098 0.000 0.301 203 Y C 0.013 175.926 175.900 0.022 0.000 1.172 203 Y CA 0.852 59.012 58.100 0.099 0.000 1.328 203 Y CB -0.752 37.765 38.460 0.094 0.000 1.016 203 Y HN -0.737 7.876 8.280 0.556 0.000 0.529 204 N N -3.000 115.733 118.700 0.055 0.000 2.693 204 N HA -0.421 4.208 4.740 -0.338 -0.091 0.249 204 N C -0.345 175.185 175.510 0.034 0.000 1.119 204 N CA 0.863 53.854 53.050 -0.098 0.000 0.717 204 N CB -0.708 37.718 38.487 -0.101 0.000 1.071 204 N HN -0.166 8.126 8.380 0.032 0.107 0.555 205 G N -2.550 106.328 108.800 0.131 0.000 2.394 205 G HA2 -0.111 3.910 3.960 0.102 0.000 0.256 205 G HA3 -0.111 3.921 3.960 0.121 0.000 0.256 205 G C -1.392 173.599 174.900 0.152 0.000 1.504 205 G CA -0.032 45.144 45.100 0.128 0.000 1.051 205 G HN -0.148 8.108 8.290 0.177 0.141 0.550 206 E N -2.026 118.236 120.200 0.102 0.000 2.195 206 E HA 0.086 4.504 4.350 0.114 0.000 0.271 206 E C -0.799 175.806 176.600 0.008 0.000 0.923 206 E CA -1.331 55.111 56.400 0.070 0.000 0.790 206 E CB 1.661 31.379 29.700 0.030 0.000 1.155 206 E HN -0.008 8.395 8.360 0.071 0.000 0.402 207 I N 2.303 122.821 120.570 -0.087 0.000 2.664 207 I HA -0.149 3.890 4.170 -0.217 0.000 0.284 207 I C 0.614 176.663 176.117 -0.113 0.000 1.154 207 I CA 0.411 61.596 61.300 -0.193 0.000 1.402 207 I CB -0.074 37.733 38.000 -0.322 0.000 1.395 207 I HN 0.162 8.323 8.210 -0.082 0.000 0.545 208 V N 5.076 124.936 119.914 -0.091 0.000 3.262 208 V HA 0.368 4.451 4.120 -0.061 0.000 0.313 208 V C -0.537 175.510 176.094 -0.078 0.000 1.070 208 V CA -1.447 60.811 62.300 -0.069 0.000 1.049 208 V CB 1.857 33.647 31.823 -0.056 0.000 1.157 208 V HN -0.095 8.041 8.190 -0.090 0.000 0.454 209 E N 0.000 120.159 120.200 -0.068 0.000 2.725 209 E HA 0.000 4.308 4.350 -0.070 0.000 0.291 209 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 209 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 209 E HN 0.000 8.322 8.360 -0.063 0.000 0.440