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 2ron_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSQLFKSFDA SEKTQLICFP FAGGYSASFR PLHAFLQGEC EMLAAEPPGH DATA SEQUENCE GTNQTSAIED LEELTDLYKQ ELNLRPDRPF VLFGHSMGGM ITFRLAQKLE DATA SEQUENCE REGIFPQAVI ISAIQPPHIQ RKKVSHLPDD QFLDHIIQLG GMPAELVENK DATA SEQUENCE EVMSFFLPSF RSDYRALEQF ELYDLAQIQS PVHVFNGLDD KKCIRDAEGW DATA SEQUENCE KKWAKDITFH QFDGGHMFLL SQTEEVAERI FAILNQHPII QP 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 4.482 4.480 0.003 0.000 0.227 1 M C 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 S N 0.058 115.789 115.700 0.053 0.000 2.579 2 S HA 0.404 4.926 4.470 0.088 0.000 0.272 2 S C -1.379 173.272 174.600 0.085 0.000 1.141 2 S CA -0.190 58.057 58.200 0.079 0.000 0.843 2 S CB 3.273 66.526 63.200 0.089 0.000 1.122 2 S HN -0.577 7.759 8.310 0.044 0.000 0.468 3 Q N 1.397 121.264 119.800 0.113 0.000 2.245 3 Q HA 0.360 4.763 4.340 0.104 0.000 0.256 3 Q C -1.571 174.499 176.000 0.116 0.000 0.942 3 Q CA -1.381 54.494 55.803 0.119 0.000 0.896 3 Q CB 2.056 30.877 28.738 0.139 0.000 1.272 3 Q HN 0.340 8.691 8.270 0.134 0.000 0.442 4 L N 2.971 124.259 121.223 0.109 0.000 2.661 4 L HA 0.284 4.781 4.340 0.080 -0.109 0.263 4 L C -2.012 174.930 176.870 0.120 0.000 0.956 4 L CA 0.405 55.297 54.840 0.086 0.000 0.918 4 L CB 2.154 44.233 42.059 0.034 0.000 1.280 4 L HN 0.167 8.466 8.230 0.114 0.000 0.416 5 F N 8.012 127.964 119.950 0.003 0.000 2.389 5 F HA 0.225 4.771 4.527 0.031 0.000 0.337 5 F C -1.758 174.044 175.800 0.003 0.000 1.112 5 F CA -0.203 57.804 58.000 0.013 0.000 1.192 5 F CB 2.564 41.570 39.000 0.010 0.000 1.185 5 F HN 0.315 8.767 8.300 0.253 0.000 0.552 6 K N 3.247 123.281 120.400 -0.610 0.000 2.568 6 K HA 0.308 4.687 4.320 -0.146 -0.147 0.273 6 K C -1.891 174.453 176.600 -0.426 0.000 0.951 6 K CA -1.400 54.688 56.287 -0.331 0.000 0.854 6 K CB 3.383 35.787 32.500 -0.160 0.000 1.424 6 K HN -0.030 7.472 8.250 -1.247 0.000 0.427 7 S N 1.188 116.795 115.700 -0.154 0.000 2.382 7 S HA 0.171 4.588 4.470 -0.087 0.000 0.228 7 S C -2.314 172.297 174.600 0.018 0.000 0.996 7 S CA 0.354 58.504 58.200 -0.083 0.000 1.094 7 S CB 0.874 64.034 63.200 -0.067 0.000 1.209 7 S HN 0.286 8.554 8.310 -0.070 0.000 0.420 8 F N 3.586 123.417 119.950 -0.199 0.000 2.483 8 F HA 0.474 4.926 4.527 -0.125 0.000 0.329 8 F C -1.893 173.821 175.800 -0.143 0.000 1.064 8 F CA -1.224 56.670 58.000 -0.176 0.000 0.986 8 F CB 1.871 40.736 39.000 -0.224 0.000 1.218 8 F HN -0.145 8.289 8.300 0.224 0.000 0.484 9 D N 1.656 121.889 120.400 -0.278 0.000 2.764 9 D HA -0.031 4.256 4.640 -0.589 0.000 0.227 9 D C -0.411 175.818 176.300 -0.119 0.000 1.347 9 D CA 0.141 53.946 54.000 -0.326 0.000 0.953 9 D CB 1.634 42.321 40.800 -0.187 0.000 1.476 9 D HN 0.019 8.379 8.370 -0.016 0.000 0.585 10 A N 4.348 127.106 122.820 -0.102 0.000 2.861 10 A HA -0.368 3.963 4.320 0.018 0.000 0.261 10 A C -0.757 176.874 177.584 0.078 0.000 1.351 10 A CA 0.687 52.727 52.037 0.006 0.000 0.904 10 A CB -1.029 17.966 19.000 -0.010 0.000 1.076 10 A HN 0.331 8.353 8.150 -0.214 0.000 0.729 11 S N -6.523 109.290 115.700 0.188 0.000 3.484 11 S HA -0.380 4.321 4.470 0.256 -0.077 0.384 11 S C 0.062 174.713 174.600 0.085 0.000 0.932 11 S CA 0.149 58.457 58.200 0.181 0.000 1.293 11 S CB -1.044 62.232 63.200 0.127 0.000 0.919 11 S HN 0.054 8.474 8.310 0.263 0.048 0.540 12 E N 2.145 122.386 120.200 0.068 0.000 2.011 12 E HA -0.207 4.161 4.350 0.030 0.000 0.191 12 E C -0.444 176.171 176.600 0.026 0.000 0.979 12 E CA 1.541 57.962 56.400 0.035 0.000 0.822 12 E CB 0.925 30.637 29.700 0.021 0.000 0.782 12 E HN -0.237 8.173 8.360 0.084 0.000 0.459 13 K N -2.153 118.256 120.400 0.015 0.000 2.565 13 K HA 0.184 4.510 4.320 0.009 0.000 0.251 13 K C -1.787 174.794 176.600 -0.032 0.000 0.956 13 K CA -0.800 55.482 56.287 -0.008 0.000 0.809 13 K CB 2.926 35.407 32.500 -0.033 0.000 1.267 13 K HN -0.180 8.081 8.250 0.018 0.000 0.438 14 T N 6.420 120.964 114.554 -0.016 0.000 2.814 14 T HA -0.010 4.443 4.350 -0.038 -0.126 0.297 14 T C -0.629 173.947 174.700 -0.207 0.000 0.956 14 T CA 0.776 62.852 62.100 -0.040 0.000 1.123 14 T CB 0.319 69.271 68.868 0.140 0.000 0.902 14 T HN 0.170 8.423 8.240 0.022 0.000 0.528 15 Q N 6.665 126.328 119.800 -0.229 0.000 2.464 15 Q HA 0.368 4.479 4.340 -0.382 0.000 0.256 15 Q C -2.170 173.665 176.000 -0.275 0.000 1.020 15 Q CA -1.033 54.592 55.803 -0.297 0.000 0.716 15 Q CB 1.552 30.131 28.738 -0.266 0.000 1.230 15 Q HN 0.193 8.371 8.270 -0.154 0.000 0.494 16 L N 5.265 126.237 121.223 -0.417 0.000 2.264 16 L HA 0.199 4.428 4.340 -0.185 0.000 0.289 16 L C -2.321 174.449 176.870 -0.167 0.000 1.044 16 L CA -0.756 53.911 54.840 -0.288 0.000 0.807 16 L CB 2.201 44.056 42.059 -0.340 0.000 1.192 16 L HN 0.677 8.500 8.230 -0.679 0.000 0.425 17 I N -0.954 119.544 120.570 -0.121 0.000 2.517 17 I HA 0.559 4.730 4.170 0.002 0.000 0.280 17 I C -0.863 175.155 176.117 -0.164 0.000 1.061 17 I CA -1.612 59.644 61.300 -0.074 0.000 1.091 17 I CB 1.309 39.259 38.000 -0.084 0.000 1.205 17 I HN -0.235 7.897 8.210 -0.130 0.000 0.459 18 C N 9.310 128.468 119.300 -0.237 0.000 2.322 18 C HA 0.005 4.132 4.460 -0.722 -0.100 0.343 18 C C -0.697 174.050 174.990 -0.405 0.000 1.190 18 C CA 0.719 59.403 59.018 -0.557 0.000 1.704 18 C CB -0.413 27.006 27.740 -0.536 0.000 2.293 18 C HN -0.108 8.015 8.230 -0.178 0.000 0.523 19 F N -0.122 119.879 119.950 0.085 0.000 2.891 19 F HA -0.304 4.279 4.527 0.094 0.000 0.272 19 F C -1.858 174.051 175.800 0.181 0.000 1.004 19 F CA -0.752 57.320 58.000 0.120 0.000 0.938 19 F CB -2.907 36.178 39.000 0.141 0.000 0.939 19 F HN 0.104 8.071 8.300 -0.555 0.000 0.833 20 P HA 0.068 4.714 4.420 0.376 0.000 0.288 20 P C -1.567 175.970 177.300 0.396 0.000 1.291 20 P CA 0.105 63.363 63.100 0.264 0.000 0.766 20 P CB 0.951 32.656 31.700 0.009 0.000 1.242 21 F N -7.193 112.833 119.950 0.126 0.000 2.654 21 F HA 0.205 4.763 4.527 0.052 0.000 0.314 21 F C -1.351 174.430 175.800 -0.031 0.000 1.116 21 F CA -1.417 56.640 58.000 0.095 0.000 1.017 21 F CB 0.539 39.651 39.000 0.187 0.000 1.285 21 F HN -0.419 7.846 8.300 -0.058 0.000 0.448 22 A N 2.324 125.111 122.820 -0.055 0.000 1.842 22 A HA -0.288 3.791 4.320 -0.401 0.000 0.217 22 A C 1.061 178.514 177.584 -0.219 0.000 1.206 22 A CA 2.401 54.311 52.037 -0.212 0.000 0.630 22 A CB -0.613 18.355 19.000 -0.053 0.000 0.839 22 A HN 0.589 8.795 8.150 0.093 0.000 0.447 23 G N -3.365 105.565 108.800 0.216 0.000 2.692 23 G HA2 -0.335 3.999 3.960 0.624 0.000 0.339 23 G HA3 -0.335 4.077 3.960 0.754 0.000 0.339 23 G C 0.010 175.030 174.900 0.199 0.000 1.226 23 G CA 1.641 47.026 45.100 0.475 0.000 0.979 23 G HN -0.017 8.458 8.290 0.308 0.000 0.549 24 G N -1.311 107.534 108.800 0.075 0.000 2.687 24 G HA2 0.147 4.073 3.960 -0.055 0.000 0.201 24 G HA3 0.147 4.303 3.960 -0.098 -0.255 0.201 24 G C 0.400 175.229 174.900 -0.117 0.000 1.211 24 G CA -0.242 44.824 45.100 -0.057 0.000 0.637 24 G HN 0.129 8.512 8.290 0.154 0.000 0.900 25 Y N 1.495 121.573 120.300 -0.370 0.000 2.274 25 Y HA 0.023 4.610 4.550 0.062 0.000 0.290 25 Y C 1.420 177.128 175.900 -0.320 0.000 1.145 25 Y CA 0.019 57.935 58.100 -0.305 0.000 1.203 25 Y CB -1.363 36.702 38.460 -0.658 0.000 0.984 25 Y HN -0.546 7.595 8.280 -0.233 0.000 0.533 26 S N 0.957 115.806 115.700 -1.418 0.000 2.371 26 S HA -0.304 3.483 4.470 -1.139 0.000 0.224 26 S C 1.880 176.175 174.600 -0.508 0.000 1.029 26 S CA 3.087 60.611 58.200 -1.128 0.000 0.978 26 S CB -0.733 61.767 63.200 -1.167 0.000 0.833 26 S HN -0.436 6.928 8.310 -1.540 0.022 0.466 27 A N -0.489 122.102 122.820 -0.381 0.000 2.066 27 A HA -0.039 4.155 4.320 -0.209 0.000 0.218 27 A C 1.672 179.135 177.584 -0.203 0.000 1.157 27 A CA 2.220 54.120 52.037 -0.227 0.000 0.670 27 A CB -0.616 18.290 19.000 -0.157 0.000 0.804 27 A HN -0.271 7.629 8.150 -0.415 0.000 0.453 28 S N -1.098 114.458 115.700 -0.241 0.000 2.387 28 S HA -0.177 4.143 4.470 -0.250 0.000 0.221 28 S C 1.207 175.603 174.600 -0.340 0.000 1.041 28 S CA 2.731 60.740 58.200 -0.318 0.000 0.959 28 S CB 0.665 63.599 63.200 -0.443 0.000 0.843 28 S HN -0.388 7.621 8.310 -0.267 0.141 0.488 29 F N 2.866 122.575 119.950 -0.403 0.000 2.259 29 F HA -0.121 4.257 4.527 -0.249 0.000 0.298 29 F C 1.018 176.774 175.800 -0.073 0.000 1.088 29 F CA 0.895 58.752 58.000 -0.239 0.000 1.358 29 F CB 0.050 38.942 39.000 -0.179 0.000 1.040 29 F HN 0.040 8.113 8.300 -0.202 0.106 0.505 30 R N -0.164 120.386 120.500 0.083 0.000 2.122 30 R HA -0.242 4.216 4.340 0.196 0.000 0.236 30 R C -0.388 175.777 176.300 -0.225 0.000 1.129 30 R CA 5.557 61.653 56.100 -0.006 0.000 0.925 30 R CB -2.278 27.957 30.300 -0.108 0.000 0.850 30 R HN -0.251 7.969 8.270 -0.052 0.019 0.431 31 P HA -0.114 4.195 4.420 -0.186 0.000 0.221 31 P C 0.946 178.190 177.300 -0.094 0.000 1.150 31 P CA 2.273 65.270 63.100 -0.170 0.000 0.800 31 P CB -0.395 31.196 31.700 -0.183 0.000 0.787 32 L N -1.527 119.675 121.223 -0.036 0.000 2.056 32 L HA -0.272 4.083 4.340 0.025 0.000 0.207 32 L C 2.034 179.013 176.870 0.182 0.000 1.078 32 L CA 2.769 57.642 54.840 0.054 0.000 0.749 32 L CB -0.609 41.430 42.059 -0.033 0.000 0.901 32 L HN -0.654 7.428 8.230 -0.044 0.121 0.433 33 H N -3.711 115.486 119.070 0.212 0.000 2.525 33 H HA -0.032 4.619 4.556 0.159 0.000 0.275 33 H C 1.701 177.074 175.328 0.076 0.000 0.984 33 H CA 1.786 57.917 56.048 0.137 0.000 1.264 33 H CB -0.285 29.494 29.762 0.030 0.000 1.432 33 H HN 0.587 9.028 8.280 0.268 0.000 0.549 34 A N -0.806 121.670 122.820 -0.574 0.000 2.169 34 A HA -0.113 4.011 4.320 -0.326 0.000 0.212 34 A C -0.445 177.136 177.584 -0.005 0.000 1.153 34 A CA 1.267 53.084 52.037 -0.366 0.000 0.756 34 A CB -0.327 18.430 19.000 -0.404 0.000 0.813 34 A HN -0.284 7.393 8.150 -0.568 0.132 0.471 35 F N -3.107 116.763 119.950 -0.134 0.000 2.694 35 F HA 0.062 4.547 4.527 -0.069 0.000 0.292 35 F C -0.092 175.692 175.800 -0.028 0.000 1.121 35 F CA 0.801 58.758 58.000 -0.071 0.000 1.352 35 F CB 2.466 41.425 39.000 -0.069 0.000 1.107 35 F HN -0.626 7.690 8.300 0.105 0.047 0.597 36 L N -2.975 118.292 121.223 0.074 0.000 2.575 36 L HA 0.240 4.556 4.340 -0.040 0.000 0.228 36 L C -0.908 175.981 176.870 0.032 0.000 1.075 36 L CA 0.265 55.126 54.840 0.035 0.000 0.867 36 L CB 1.715 43.837 42.059 0.106 0.000 1.097 36 L HN -0.676 7.628 8.230 0.124 0.000 0.485 37 Q N -4.379 115.460 119.800 0.065 0.000 2.668 37 Q HA 0.457 4.822 4.340 0.042 0.000 0.298 37 Q C -1.550 174.490 176.000 0.066 0.000 1.071 37 Q CA -1.332 54.517 55.803 0.076 0.000 0.789 37 Q CB 4.302 33.120 28.738 0.132 0.000 1.497 37 Q HN -0.545 7.658 8.270 0.078 0.115 0.460 38 G N -3.451 105.389 108.800 0.067 0.000 2.616 38 G HA2 -0.069 3.941 3.960 0.083 0.000 0.294 38 G HA3 -0.069 3.903 3.960 0.021 0.000 0.294 38 G C -1.884 173.038 174.900 0.038 0.000 1.489 38 G CA 0.727 45.858 45.100 0.053 0.000 0.836 38 G HN -0.198 8.128 8.290 0.060 0.000 0.527 39 E N -1.576 118.645 120.200 0.035 0.000 2.230 39 E HA -0.331 4.027 4.350 0.013 0.000 0.206 39 E C -1.894 174.711 176.600 0.009 0.000 1.309 39 E CA 0.449 56.857 56.400 0.014 0.000 0.697 39 E CB -0.913 28.787 29.700 0.000 0.000 1.146 39 E HN 0.148 8.535 8.360 0.045 0.000 0.363 40 C N -1.936 117.368 119.300 0.007 0.000 2.391 40 C HA 0.056 4.514 4.460 -0.004 0.000 0.339 40 C C 0.108 175.082 174.990 -0.026 0.000 1.205 40 C CA -2.608 56.399 59.018 -0.018 0.000 1.937 40 C CB 1.814 29.518 27.740 -0.060 0.000 2.341 40 C HN -0.182 8.059 8.230 0.020 0.000 0.516 41 E N 3.313 123.511 120.200 -0.004 0.000 2.585 41 E HA -0.190 4.396 4.350 0.042 -0.211 0.252 41 E C -0.580 176.000 176.600 -0.033 0.000 0.981 41 E CA 0.645 57.057 56.400 0.020 0.000 0.943 41 E CB 0.418 30.158 29.700 0.067 0.000 0.923 41 E HN 0.016 8.380 8.360 0.008 0.000 0.486 42 M N 4.192 123.785 119.600 -0.011 0.000 2.101 42 M HA 0.269 4.708 4.480 -0.068 0.000 0.340 42 M C -1.855 174.465 176.300 0.033 0.000 1.057 42 M CA -0.731 54.563 55.300 -0.011 0.000 0.984 42 M CB 0.983 33.598 32.600 0.025 0.000 1.560 42 M HN 0.371 8.668 8.290 0.011 0.000 0.435 43 L N -0.376 120.848 121.223 0.002 0.000 2.424 43 L HA 0.541 5.036 4.340 0.122 -0.082 0.258 43 L C -2.745 174.132 176.870 0.010 0.000 0.995 43 L CA -0.777 54.081 54.840 0.031 0.000 0.821 43 L CB 4.349 46.388 42.059 -0.033 0.000 1.383 43 L HN -0.186 8.013 8.230 -0.051 0.000 0.410 44 A N -1.693 121.155 122.820 0.047 0.000 2.599 44 A HA 0.525 4.831 4.320 -0.106 -0.050 0.290 44 A C -2.783 174.753 177.584 -0.078 0.000 1.101 44 A CA -0.962 51.049 52.037 -0.043 0.000 0.674 44 A CB 3.838 22.821 19.000 -0.027 0.000 1.277 44 A HN 0.759 8.872 8.150 0.125 0.112 0.419 45 A N -1.735 120.911 122.820 -0.290 0.000 2.309 45 A HA 0.249 4.466 4.320 -0.172 0.000 0.298 45 A C -0.901 176.583 177.584 -0.167 0.000 1.165 45 A CA -0.999 50.795 52.037 -0.405 0.000 0.821 45 A CB 1.200 19.623 19.000 -0.961 0.000 1.102 45 A HN -0.045 7.872 8.150 -0.388 0.000 0.500 46 E N 1.275 121.566 120.200 0.152 0.000 2.320 46 E HA 0.528 5.133 4.350 0.425 0.000 0.264 46 E C -2.217 174.615 176.600 0.387 0.000 0.923 46 E CA -3.556 53.038 56.400 0.324 0.000 0.796 46 E CB 1.858 31.672 29.700 0.190 0.000 1.262 46 E HN -0.342 8.083 8.360 0.107 0.000 0.428 47 P HA 0.165 4.676 4.420 0.151 0.000 0.272 47 P C -2.274 175.103 177.300 0.129 0.000 1.240 47 P CA -1.722 61.471 63.100 0.156 0.000 0.791 47 P CB -0.566 31.172 31.700 0.064 0.000 0.978 48 P HA 0.018 4.496 4.420 0.097 0.000 0.271 48 P C -0.790 176.561 177.300 0.085 0.000 1.220 48 P CA -0.037 63.116 63.100 0.088 0.000 0.768 48 P CB 0.510 32.252 31.700 0.070 0.000 0.848 49 G N 2.639 111.500 108.800 0.102 0.000 2.868 49 G HA2 -0.041 3.975 3.960 0.093 0.000 0.201 49 G HA3 -0.041 3.987 3.960 0.114 0.000 0.201 49 G C -1.159 173.855 174.900 0.188 0.000 1.130 49 G CA 0.542 45.712 45.100 0.116 0.000 0.777 49 G HN 0.542 8.894 8.290 0.104 0.000 0.680 50 H N -0.324 118.770 119.070 0.040 0.000 3.123 50 H HA 0.067 4.641 4.556 0.030 0.000 0.346 50 H C -0.977 174.373 175.328 0.036 0.000 1.138 50 H CA -0.680 55.388 56.048 0.034 0.000 1.273 50 H CB 1.768 31.548 29.762 0.030 0.000 1.926 50 H HN -0.472 7.907 8.280 0.165 0.000 0.524 51 G N 4.290 112.861 108.800 -0.381 0.000 2.209 51 G HA2 -0.146 3.745 3.960 -0.115 0.000 0.271 51 G HA3 -0.146 3.646 3.960 -0.279 0.000 0.271 51 G C -0.633 174.154 174.900 -0.188 0.000 1.111 51 G CA 0.813 45.763 45.100 -0.249 0.000 1.092 51 G HN 0.412 8.380 8.290 -0.537 0.000 0.416 52 T N 3.213 117.734 114.554 -0.056 0.000 3.146 52 T HA -0.054 4.295 4.350 -0.002 0.000 0.235 52 T C 0.843 175.539 174.700 -0.006 0.000 0.985 52 T CA 0.922 63.018 62.100 -0.006 0.000 1.265 52 T CB 0.752 69.641 68.868 0.036 0.000 0.946 52 T HN -0.226 7.995 8.240 -0.031 0.000 0.418 53 N N -0.103 118.598 118.700 0.002 0.000 3.166 53 N HA 0.015 4.755 4.740 -0.000 0.000 0.242 53 N C -1.377 174.134 175.510 0.002 0.000 1.017 53 N CA 0.558 53.610 53.050 0.004 0.000 1.113 53 N CB 0.883 39.378 38.487 0.014 0.000 1.629 53 N HN 0.036 8.421 8.380 0.009 0.000 0.601 54 Q N -1.586 118.219 119.800 0.009 0.000 2.707 54 Q HA 0.268 4.612 4.340 0.006 0.000 0.307 54 Q C -1.313 174.699 176.000 0.019 0.000 0.934 54 Q CA -0.948 54.861 55.803 0.011 0.000 0.753 54 Q CB 1.881 30.626 28.738 0.011 0.000 1.478 54 Q HN -0.246 8.034 8.270 0.016 0.000 0.458 55 T N -0.370 114.197 114.554 0.022 0.000 2.909 55 T HA 0.224 4.707 4.350 0.039 -0.110 0.289 55 T C 0.575 175.294 174.700 0.031 0.000 1.005 55 T CA -1.138 60.981 62.100 0.033 0.000 1.084 55 T CB 0.602 69.492 68.868 0.035 0.000 0.975 55 T HN 0.046 8.297 8.240 0.018 0.000 0.509 56 S N 9.160 124.883 115.700 0.039 0.000 2.414 56 S HA -0.354 4.130 4.470 0.023 0.000 0.225 56 S C 0.315 174.927 174.600 0.021 0.000 1.041 56 S CA 2.579 60.796 58.200 0.028 0.000 1.114 56 S CB -0.301 62.917 63.200 0.030 0.000 1.064 56 S HN 0.295 8.635 8.310 0.050 0.000 0.420 57 A N -0.768 122.069 122.820 0.028 0.000 2.847 57 A HA -0.247 4.094 4.320 0.035 0.000 0.263 57 A C -1.183 176.410 177.584 0.015 0.000 1.391 57 A CA 0.830 52.882 52.037 0.026 0.000 0.866 57 A CB -1.303 17.711 19.000 0.023 0.000 1.057 57 A HN 0.226 8.398 8.150 0.038 0.000 0.673 58 I N -5.783 114.792 120.570 0.009 0.000 6.992 58 I HA -0.393 3.781 4.170 0.006 0.000 0.126 58 I C -0.725 175.390 176.117 -0.004 0.000 1.809 58 I CA 0.159 61.463 61.300 0.007 0.000 2.121 58 I CB -3.167 34.843 38.000 0.017 0.000 3.531 58 I HN -0.098 8.080 8.210 0.008 0.037 0.194 59 E N -1.500 118.693 120.200 -0.011 0.000 2.876 59 E HA 0.167 4.494 4.350 -0.039 0.000 0.208 59 E C -0.318 176.258 176.600 -0.041 0.000 0.981 59 E CA -0.483 55.901 56.400 -0.027 0.000 1.174 59 E CB 1.050 30.739 29.700 -0.018 0.000 1.047 59 E HN -0.187 8.169 8.360 -0.007 0.000 0.477 60 D N 0.677 121.053 120.400 -0.041 0.000 2.219 60 D HA -0.262 4.339 4.640 -0.064 0.000 0.205 60 D C 1.907 178.125 176.300 -0.137 0.000 0.970 60 D CA 2.252 56.209 54.000 -0.073 0.000 0.851 60 D CB -0.686 40.076 40.800 -0.064 0.000 0.943 60 D HN 0.200 8.556 8.370 -0.023 0.000 0.488 61 L N -0.153 121.001 121.223 -0.114 0.000 1.956 61 L HA -0.417 3.798 4.340 -0.208 0.000 0.216 61 L C 1.552 178.304 176.870 -0.196 0.000 1.073 61 L CA 4.009 58.751 54.840 -0.163 0.000 0.762 61 L CB -0.201 41.780 42.059 -0.130 0.000 0.889 61 L HN -0.271 7.894 8.230 -0.068 0.024 0.433 62 E N -2.572 117.550 120.200 -0.130 0.000 2.072 62 E HA -0.244 4.038 4.350 -0.113 0.000 0.190 62 E C 2.906 179.455 176.600 -0.085 0.000 0.982 62 E CA 2.631 58.969 56.400 -0.102 0.000 0.803 62 E CB -0.282 29.378 29.700 -0.067 0.000 0.755 62 E HN 0.082 8.377 8.360 -0.108 0.000 0.453 63 E N -0.109 120.049 120.200 -0.070 0.000 2.209 63 E HA -0.258 4.089 4.350 -0.004 0.000 0.196 63 E C 2.579 179.172 176.600 -0.012 0.000 0.993 63 E CA 2.717 59.100 56.400 -0.027 0.000 0.819 63 E CB -0.485 29.204 29.700 -0.018 0.000 0.745 63 E HN -0.390 7.926 8.360 -0.074 0.000 0.477 64 L N -2.498 118.637 121.223 -0.147 0.000 2.121 64 L HA -0.104 4.241 4.340 0.009 0.000 0.200 64 L C 1.745 178.466 176.870 -0.248 0.000 1.077 64 L CA 2.460 57.125 54.840 -0.293 0.000 0.766 64 L CB 0.397 41.952 42.059 -0.840 0.000 0.931 64 L HN 0.015 7.903 8.230 -0.204 0.220 0.452 65 T N -3.807 110.539 114.554 -0.346 0.000 2.977 65 T HA -0.373 3.897 4.350 -0.133 0.000 0.271 65 T C 1.794 176.508 174.700 0.023 0.000 1.105 65 T CA 3.780 65.786 62.100 -0.158 0.000 1.116 65 T CB -0.350 68.421 68.868 -0.162 0.000 0.878 65 T HN -0.210 7.789 8.240 -0.401 0.000 0.509 66 D N 1.034 121.454 120.400 0.033 0.000 2.369 66 D HA -0.083 4.589 4.640 0.053 0.000 0.231 66 D C 1.287 177.657 176.300 0.118 0.000 0.967 66 D CA 2.298 56.334 54.000 0.061 0.000 0.905 66 D CB 0.651 41.466 40.800 0.025 0.000 1.044 66 D HN -0.040 8.267 8.370 -0.010 0.057 0.487 67 L N -1.156 120.172 121.223 0.175 0.000 2.456 67 L HA -0.217 4.171 4.340 0.081 0.000 0.224 67 L C 0.720 177.696 176.870 0.177 0.000 1.148 67 L CA 2.131 57.075 54.840 0.174 0.000 0.825 67 L CB 0.031 42.213 42.059 0.205 0.000 0.937 67 L HN -0.614 7.606 8.230 0.163 0.108 0.450 68 Y N -4.502 115.858 120.300 0.101 0.000 2.576 68 Y HA 0.070 4.680 4.550 0.100 0.000 0.282 68 Y C 0.571 176.530 175.900 0.098 0.000 1.139 68 Y CA 1.562 59.746 58.100 0.141 0.000 1.265 68 Y CB 1.329 39.995 38.460 0.343 0.000 1.376 68 Y HN -0.429 8.058 8.280 0.464 0.071 0.511 69 K N -1.664 118.895 120.400 0.266 0.000 2.577 69 K HA 0.131 4.532 4.320 0.136 0.000 0.210 69 K C 1.416 178.070 176.600 0.090 0.000 1.048 69 K CA -1.695 54.681 56.287 0.149 0.000 1.188 69 K CB -1.462 31.115 32.500 0.128 0.000 0.910 69 K HN -0.504 7.812 8.250 0.297 0.112 0.483 70 Q N 0.807 120.656 119.800 0.082 0.000 2.197 70 Q HA -0.395 3.976 4.340 0.045 -0.004 0.211 70 Q C 1.392 177.412 176.000 0.034 0.000 0.993 70 Q CA 3.327 59.158 55.803 0.048 0.000 0.883 70 Q CB -0.458 28.300 28.738 0.033 0.000 0.916 70 Q HN -0.093 8.135 8.270 0.104 0.104 0.418 71 E N -1.614 118.606 120.200 0.034 0.000 2.070 71 E HA -0.221 4.140 4.350 0.018 0.000 0.197 71 E C -0.003 176.611 176.600 0.024 0.000 1.004 71 E CA 1.932 58.346 56.400 0.025 0.000 0.805 71 E CB 0.456 30.170 29.700 0.024 0.000 0.744 71 E HN 0.104 8.469 8.360 0.041 0.019 0.451 72 L N -7.557 113.685 121.223 0.031 0.000 2.549 72 L HA 0.281 4.634 4.340 0.021 0.000 0.259 72 L C -2.076 174.813 176.870 0.031 0.000 0.934 72 L CA -0.780 54.076 54.840 0.026 0.000 0.865 72 L CB 2.454 44.526 42.059 0.023 0.000 1.352 72 L HN -0.693 7.477 8.230 0.041 0.084 0.410 73 N N 1.479 120.192 118.700 0.023 0.000 2.422 73 N HA 0.086 4.841 4.740 0.026 0.000 0.266 73 N C -0.719 174.801 175.510 0.016 0.000 1.007 73 N CA -0.080 52.982 53.050 0.019 0.000 0.941 73 N CB 0.152 38.645 38.487 0.010 0.000 1.115 73 N HN -0.050 8.340 8.380 0.018 0.000 0.492 74 L N 4.618 125.852 121.223 0.019 0.000 2.416 74 L HA 0.103 4.451 4.340 0.014 0.000 0.188 74 L C 0.144 177.020 176.870 0.010 0.000 1.145 74 L CA 0.693 55.542 54.840 0.016 0.000 0.826 74 L CB 0.779 42.852 42.059 0.023 0.000 1.064 74 L HN 0.559 8.803 8.230 0.024 0.000 0.490 75 R N -1.479 119.026 120.500 0.008 0.000 2.736 75 R HA 0.186 4.522 4.340 -0.006 0.000 0.250 75 R C -2.385 173.910 176.300 -0.009 0.000 1.098 75 R CA -1.850 54.249 56.100 -0.001 0.000 0.978 75 R CB 1.606 31.909 30.300 0.005 0.000 1.263 75 R HN -0.413 7.866 8.270 0.014 0.000 0.460 76 P HA 0.127 4.504 4.420 -0.071 0.000 0.296 76 P C -1.421 175.862 177.300 -0.028 0.000 1.295 76 P CA -0.507 62.563 63.100 -0.050 0.000 0.754 76 P CB 0.750 32.408 31.700 -0.070 0.000 1.311 77 D N -0.381 120.000 120.400 -0.031 0.000 2.256 77 D HA 0.022 4.668 4.640 0.010 0.000 0.250 77 D C 0.600 176.909 176.300 0.014 0.000 1.093 77 D CA 0.349 54.352 54.000 0.004 0.000 0.882 77 D CB 0.542 41.353 40.800 0.018 0.000 1.185 77 D HN 0.096 8.431 8.370 -0.058 0.000 0.437 78 R N 2.877 123.387 120.500 0.016 0.000 2.064 78 R HA -0.060 4.280 4.340 -0.001 0.000 0.228 78 R C -1.392 174.933 176.300 0.042 0.000 1.144 78 R CA 1.456 57.563 56.100 0.011 0.000 0.932 78 R CB -1.524 28.774 30.300 -0.003 0.000 0.833 78 R HN 0.254 8.533 8.270 0.016 0.000 0.429 79 P HA 0.009 4.601 4.420 0.083 -0.122 0.272 79 P C -1.821 175.580 177.300 0.168 0.000 1.223 79 P CA -0.205 62.944 63.100 0.082 0.000 0.784 79 P CB 1.043 32.769 31.700 0.043 0.000 0.923 80 F N 1.260 121.196 119.950 -0.024 0.000 2.767 80 F HA 0.337 5.043 4.527 -0.053 -0.212 0.341 80 F C -2.766 173.007 175.800 -0.045 0.000 1.192 80 F CA -0.201 57.777 58.000 -0.037 0.000 1.127 80 F CB 3.909 42.895 39.000 -0.024 0.000 1.388 80 F HN 0.666 8.954 8.300 0.161 0.108 0.574 81 V N 4.786 124.298 119.914 -0.670 0.000 2.409 81 V HA 0.409 4.305 4.120 -0.373 0.000 0.291 81 V C -3.088 172.518 176.094 -0.813 0.000 1.020 81 V CA -2.216 59.742 62.300 -0.570 0.000 0.848 81 V CB 1.875 33.483 31.823 -0.359 0.000 0.990 81 V HN 0.482 8.231 8.190 -0.735 0.000 0.430 82 L N 7.176 128.001 121.223 -0.663 0.000 2.298 82 L HA 0.684 4.941 4.340 -0.508 -0.221 0.284 82 L C -1.484 175.041 176.870 -0.574 0.000 1.013 82 L CA -1.116 53.402 54.840 -0.537 0.000 0.824 82 L CB 2.145 44.004 42.059 -0.334 0.000 1.221 82 L HN -0.449 7.495 8.230 -0.476 0.000 0.418 83 F N 7.325 127.103 119.950 -0.286 0.000 2.411 83 F HA 0.324 4.735 4.527 -0.194 0.000 0.352 83 F C -0.934 174.726 175.800 -0.233 0.000 1.123 83 F CA -0.786 57.085 58.000 -0.215 0.000 1.044 83 F CB 2.015 40.933 39.000 -0.137 0.000 1.135 83 F HN 0.592 8.859 8.300 -0.054 0.000 0.461 84 G N 1.717 110.461 108.800 -0.093 0.000 2.990 84 G HA2 0.335 4.088 3.960 -0.343 0.000 0.208 84 G HA3 0.335 4.092 3.960 -0.337 0.000 0.208 84 G C -1.851 173.006 174.900 -0.071 0.000 1.334 84 G CA -1.224 43.728 45.100 -0.247 0.000 1.024 84 G HN 0.160 8.402 8.290 -0.079 0.000 0.574 85 H N -4.512 114.637 119.070 0.132 0.000 2.771 85 H HA 0.444 5.121 4.556 0.202 0.000 0.344 85 H C -0.198 175.199 175.328 0.115 0.000 1.260 85 H CA -2.240 53.896 56.048 0.147 0.000 1.276 85 H CB 2.729 32.565 29.762 0.124 0.000 1.881 85 H HN -0.175 7.703 8.280 -0.670 0.000 0.615 86 S N -1.792 114.076 115.700 0.281 0.000 2.631 86 S HA 0.003 4.588 4.470 0.191 0.000 0.217 86 S C 0.507 175.178 174.600 0.117 0.000 0.958 86 S CA 1.560 59.863 58.200 0.171 0.000 0.920 86 S CB -0.272 62.990 63.200 0.103 0.000 0.776 86 S HN 0.306 8.770 8.310 0.257 0.000 0.517 87 M N 0.411 120.090 119.600 0.131 0.000 2.142 87 M HA 0.042 4.524 4.480 0.002 0.000 0.256 87 M C 0.548 176.926 176.300 0.130 0.000 1.098 87 M CA 1.321 56.638 55.300 0.029 0.000 1.151 87 M CB 0.693 33.158 32.600 -0.224 0.000 1.299 87 M HN -0.544 7.792 8.290 0.240 0.098 0.431 88 G N -2.653 106.258 108.800 0.183 0.000 2.462 88 G HA2 -0.120 3.722 3.960 -0.197 0.000 0.424 88 G HA3 -0.120 3.949 3.960 0.183 0.000 0.424 88 G C -2.151 172.785 174.900 0.062 0.000 1.573 88 G CA -0.050 45.082 45.100 0.052 0.000 0.913 88 G HN -0.655 7.853 8.290 0.363 0.000 0.672 89 G N 1.487 110.216 108.800 -0.117 0.000 4.220 89 G HA2 0.082 4.105 3.960 0.104 0.000 0.256 89 G HA3 0.082 4.101 3.960 0.098 0.000 0.256 89 G C 0.008 174.928 174.900 0.033 0.000 1.520 89 G CA -0.073 45.050 45.100 0.038 0.000 0.608 89 G HN -0.158 7.851 8.290 -0.468 0.000 0.415 90 M N 1.009 120.650 119.600 0.069 0.000 2.358 90 M HA -0.214 4.363 4.480 0.162 0.000 0.264 90 M C 0.522 176.931 176.300 0.182 0.000 1.064 90 M CA 2.638 58.053 55.300 0.192 0.000 1.093 90 M CB -0.398 32.431 32.600 0.381 0.000 1.401 90 M HN 0.313 8.682 8.290 0.132 0.000 0.440 91 I N -0.015 120.646 120.570 0.150 0.000 2.130 91 I HA -0.371 3.868 4.170 0.115 0.000 0.234 91 I C 1.824 178.016 176.117 0.124 0.000 1.067 91 I CA 4.014 65.388 61.300 0.123 0.000 1.339 91 I CB -1.539 36.523 38.000 0.104 0.000 1.073 91 I HN -0.252 7.997 8.210 0.144 0.047 0.405 92 T N 0.986 115.607 114.554 0.111 0.000 2.699 92 T HA -0.344 4.047 4.350 0.068 0.000 0.268 92 T C 1.685 176.457 174.700 0.120 0.000 1.036 92 T CA 3.813 65.961 62.100 0.081 0.000 1.147 92 T CB -0.393 68.496 68.868 0.034 0.000 0.862 92 T HN -0.387 7.918 8.240 0.109 0.000 0.446 93 F N 1.218 121.185 119.950 0.027 0.000 2.146 93 F HA -0.319 4.248 4.527 0.067 0.000 0.298 93 F C 1.419 177.244 175.800 0.041 0.000 1.096 93 F CA 2.100 60.128 58.000 0.046 0.000 1.275 93 F CB -0.211 38.813 39.000 0.040 0.000 1.008 93 F HN -0.360 8.081 8.300 0.247 0.007 0.480 94 R N -0.212 120.448 120.500 0.267 0.000 2.103 94 R HA -0.435 3.961 4.340 0.094 0.000 0.242 94 R C 2.476 178.834 176.300 0.098 0.000 1.142 94 R CA 3.479 59.659 56.100 0.134 0.000 0.960 94 R CB -0.381 29.976 30.300 0.096 0.000 0.858 94 R HN -0.348 7.893 8.270 0.256 0.182 0.439 95 L N -2.398 118.882 121.223 0.094 0.000 2.044 95 L HA -0.182 4.171 4.340 0.022 0.000 0.205 95 L C 2.057 178.938 176.870 0.017 0.000 1.075 95 L CA 2.308 57.172 54.840 0.042 0.000 0.747 95 L CB -1.344 40.735 42.059 0.033 0.000 0.903 95 L HN -0.489 7.803 8.230 0.114 0.007 0.435 96 A N -0.070 122.787 122.820 0.062 0.000 1.841 96 A HA -0.421 3.826 4.320 -0.122 0.000 0.216 96 A C 1.941 179.497 177.584 -0.047 0.000 1.199 96 A CA 3.045 55.080 52.037 -0.004 0.000 0.621 96 A CB -0.778 18.298 19.000 0.126 0.000 0.835 96 A HN -0.157 7.999 8.150 0.113 0.062 0.445 97 Q N -0.955 118.955 119.800 0.182 0.000 2.014 97 Q HA -0.487 4.240 4.340 0.131 -0.309 0.207 97 Q C 2.135 178.120 176.000 -0.025 0.000 0.993 97 Q CA 3.573 59.444 55.803 0.112 0.000 0.850 97 Q CB -0.167 28.625 28.738 0.089 0.000 0.916 97 Q HN 0.307 8.811 8.270 0.389 0.000 0.417 98 K N -0.633 119.755 120.400 -0.020 0.000 2.074 98 K HA -0.315 3.977 4.320 -0.047 0.000 0.209 98 K C 2.634 179.191 176.600 -0.071 0.000 1.048 98 K CA 2.828 59.089 56.287 -0.042 0.000 0.926 98 K CB -0.545 31.940 32.500 -0.025 0.000 0.713 98 K HN -0.617 7.644 8.250 0.019 0.000 0.444 99 L N -3.823 117.337 121.223 -0.105 0.000 2.141 99 L HA -0.329 4.246 4.340 -0.106 -0.299 0.209 99 L C 2.195 178.949 176.870 -0.193 0.000 1.094 99 L CA 2.679 57.429 54.840 -0.149 0.000 0.763 99 L CB -0.214 41.731 42.059 -0.190 0.000 0.908 99 L HN 0.013 8.093 8.230 -0.094 0.094 0.437 100 E N -0.629 119.429 120.200 -0.237 0.000 2.008 100 E HA -0.395 3.794 4.350 -0.268 0.000 0.191 100 E C 2.132 178.682 176.600 -0.084 0.000 0.986 100 E CA 3.629 59.898 56.400 -0.218 0.000 0.807 100 E CB -0.243 29.327 29.700 -0.215 0.000 0.766 100 E HN -0.226 7.857 8.360 -0.226 0.142 0.450 101 R N -2.004 118.469 120.500 -0.045 0.000 2.103 101 R HA -0.318 4.052 4.340 0.050 0.000 0.242 101 R C 1.711 178.017 176.300 0.010 0.000 1.142 101 R CA 2.731 58.835 56.100 0.007 0.000 0.960 101 R CB -0.364 29.931 30.300 -0.008 0.000 0.858 101 R HN -0.107 8.129 8.270 -0.057 0.000 0.439 102 E N -2.064 118.120 120.200 -0.025 0.000 2.152 102 E HA -0.154 4.190 4.350 -0.009 0.000 0.192 102 E C 1.904 178.492 176.600 -0.021 0.000 0.983 102 E CA 1.351 57.738 56.400 -0.022 0.000 0.818 102 E CB -0.293 29.385 29.700 -0.036 0.000 0.758 102 E HN -0.279 8.045 8.360 -0.046 0.008 0.467 103 G N -0.581 108.194 108.800 -0.043 0.000 2.403 103 G HA2 -0.121 3.815 3.960 -0.041 0.000 0.216 103 G HA3 -0.121 3.856 3.960 -0.074 -0.061 0.216 103 G C -0.977 173.915 174.900 -0.013 0.000 1.154 103 G CA 0.876 45.949 45.100 -0.045 0.000 0.784 103 G HN -0.414 7.614 8.290 -0.064 0.224 0.538 104 I N -2.570 118.003 120.570 0.006 0.000 2.750 104 I HA 0.104 4.311 4.170 0.061 0.000 0.284 104 I C -1.570 174.592 176.117 0.076 0.000 1.498 104 I CA -0.316 61.006 61.300 0.037 0.000 1.078 104 I CB 2.445 40.447 38.000 0.002 0.000 1.423 104 I HN -0.154 8.054 8.210 -0.003 0.000 0.423 105 F N 9.845 129.790 119.950 -0.009 0.000 2.060 105 F HA 0.043 4.561 4.527 -0.015 0.000 0.295 105 F C -1.584 174.218 175.800 0.003 0.000 1.120 105 F CA 1.702 59.700 58.000 -0.003 0.000 1.205 105 F CB -1.839 37.171 39.000 0.017 0.000 0.986 105 F HN 0.260 8.710 8.300 0.251 0.000 0.470 106 P HA -0.085 3.733 4.420 -1.003 0.000 0.264 106 P C -1.603 175.521 177.300 -0.293 0.000 1.537 106 P CA -0.117 62.601 63.100 -0.636 0.000 1.189 106 P CB -1.455 30.044 31.700 -0.335 0.000 1.687 107 Q N 2.588 122.231 119.800 -0.262 0.000 2.266 107 Q HA 0.116 4.411 4.340 -0.074 0.000 0.261 107 Q C -0.903 175.050 176.000 -0.077 0.000 0.985 107 Q CA -0.872 54.867 55.803 -0.106 0.000 0.873 107 Q CB 2.589 31.303 28.738 -0.040 0.000 1.306 107 Q HN -0.320 7.729 8.270 -0.368 0.000 0.447 108 A N 2.543 125.349 122.820 -0.023 0.000 2.054 108 A HA 0.059 4.365 4.320 -0.024 0.000 0.221 108 A C -0.277 177.330 177.584 0.038 0.000 1.587 108 A CA 0.772 52.807 52.037 -0.003 0.000 0.664 108 A CB 0.521 19.525 19.000 0.006 0.000 1.248 108 A HN 0.256 8.401 8.150 -0.007 0.000 0.527 109 V N 1.195 121.144 119.914 0.058 0.000 2.488 109 V HA 0.103 4.404 4.120 0.116 -0.111 0.277 109 V C -1.091 175.058 176.094 0.092 0.000 1.046 109 V CA 0.962 63.314 62.300 0.087 0.000 0.986 109 V CB -0.233 31.631 31.823 0.068 0.000 0.989 109 V HN -0.208 8.011 8.190 0.047 0.000 0.475 110 I N 1.545 122.180 120.570 0.108 0.000 2.685 110 I HA 0.677 5.174 4.170 0.099 -0.268 0.289 110 I C -1.730 174.409 176.117 0.037 0.000 1.292 110 I CA -1.306 60.059 61.300 0.109 0.000 1.050 110 I CB 3.526 41.632 38.000 0.177 0.000 1.301 110 I HN 0.011 8.302 8.210 0.136 0.000 0.425 111 I N 5.921 126.436 120.570 -0.092 0.000 2.433 111 I HA 0.574 4.766 4.170 -0.195 -0.139 0.292 111 I C -1.816 174.126 176.117 -0.292 0.000 1.001 111 I CA -2.392 58.754 61.300 -0.256 0.000 1.119 111 I CB 3.592 41.275 38.000 -0.530 0.000 1.289 111 I HN 0.066 8.214 8.210 -0.103 0.000 0.438 112 S N 8.075 123.568 115.700 -0.346 0.000 2.454 112 S HA 0.388 4.805 4.470 -0.088 0.000 0.306 112 S C -2.254 172.276 174.600 -0.116 0.000 1.100 112 S CA -2.203 55.766 58.200 -0.385 0.000 1.087 112 S CB 1.896 64.330 63.200 -1.277 0.000 1.019 112 S HN -0.271 7.853 8.310 -0.309 0.000 0.480 113 A N 5.437 128.324 122.820 0.111 0.000 2.437 113 A HA 0.418 4.956 4.320 0.107 -0.153 0.288 113 A C -1.312 176.436 177.584 0.273 0.000 1.201 113 A CA -1.682 50.433 52.037 0.130 0.000 0.795 113 A CB 2.224 21.227 19.000 0.004 0.000 1.359 113 A HN 0.041 8.422 8.150 0.384 0.000 0.435 114 I N -4.905 115.788 120.570 0.205 0.000 5.830 114 I HA -0.434 3.847 4.170 0.184 0.000 0.126 114 I C -0.435 175.843 176.117 0.268 0.000 1.817 114 I CA 0.411 61.826 61.300 0.192 0.000 2.044 114 I CB -2.835 35.206 38.000 0.069 0.000 3.396 114 I HN 0.315 8.635 8.210 0.184 0.000 0.171 115 Q N 0.370 120.312 119.800 0.237 0.000 2.292 115 Q HA -0.066 4.416 4.340 0.237 0.000 0.290 115 Q C -1.410 174.705 176.000 0.191 0.000 1.161 115 Q CA -0.348 55.578 55.803 0.205 0.000 0.974 115 Q CB 0.194 29.013 28.738 0.134 0.000 1.136 115 Q HN -0.516 7.842 8.270 0.209 0.037 0.398 116 P HA 0.135 4.695 4.420 0.233 0.000 0.272 116 P C -1.223 176.035 177.300 -0.070 0.000 1.240 116 P CA -1.702 61.475 63.100 0.128 0.000 0.791 116 P CB -0.181 31.578 31.700 0.099 0.000 0.978 117 P HA -0.100 4.311 4.420 -0.016 0.000 0.219 117 P C -0.269 176.997 177.300 -0.057 0.000 1.150 117 P CA 1.600 64.690 63.100 -0.017 0.000 0.814 117 P CB 0.412 32.136 31.700 0.040 0.000 0.787 118 H N -1.417 117.647 119.070 -0.010 0.000 2.983 118 H HA -0.178 4.363 4.556 -0.026 0.000 0.361 118 H C -0.831 174.489 175.328 -0.014 0.000 1.145 118 H CA 0.138 56.170 56.048 -0.026 0.000 1.404 118 H CB 0.430 30.158 29.762 -0.057 0.000 1.356 118 H HN -0.156 8.155 8.280 0.052 0.000 0.612 119 I N -0.334 120.325 120.570 0.149 0.000 2.656 119 I HA 0.127 4.286 4.170 -0.018 0.000 0.292 119 I C -1.539 174.667 176.117 0.148 0.000 1.144 119 I CA -1.845 59.500 61.300 0.075 0.000 1.038 119 I CB 2.951 40.953 38.000 0.003 0.000 1.244 119 I HN 0.092 8.421 8.210 0.199 0.000 0.420 120 Q N 4.743 124.616 119.800 0.122 0.000 2.262 120 Q HA -0.216 4.186 4.340 0.104 0.000 0.298 120 Q C 0.378 176.418 176.000 0.067 0.000 1.083 120 Q CA 0.904 56.763 55.803 0.093 0.000 0.962 120 Q CB -0.113 28.666 28.738 0.070 0.000 1.104 120 Q HN 0.096 8.418 8.270 0.086 0.000 0.376 121 R N 6.518 127.056 120.500 0.063 0.000 2.513 121 R HA -0.255 4.134 4.340 0.082 0.000 0.333 121 R C -0.924 175.407 176.300 0.052 0.000 0.925 121 R CA 0.856 56.995 56.100 0.064 0.000 1.072 121 R CB -0.983 29.349 30.300 0.054 0.000 0.914 121 R HN 0.325 8.630 8.270 0.057 0.000 0.408 122 K N 1.899 122.335 120.400 0.060 0.000 2.507 122 K HA 0.173 4.520 4.320 0.046 0.000 0.284 122 K C -1.962 174.676 176.600 0.063 0.000 1.038 122 K CA -1.277 55.042 56.287 0.054 0.000 0.903 122 K CB 2.531 35.061 32.500 0.050 0.000 1.531 122 K HN -0.248 8.044 8.250 0.072 0.000 0.430 123 K N 1.270 121.708 120.400 0.062 0.000 2.376 123 K HA 0.371 4.739 4.320 0.079 0.000 0.257 123 K C -1.249 175.398 176.600 0.079 0.000 0.939 123 K CA -0.588 55.741 56.287 0.070 0.000 0.809 123 K CB 0.672 33.205 32.500 0.056 0.000 1.121 123 K HN 0.039 8.324 8.250 0.059 0.000 0.425 124 V N 3.530 123.501 119.914 0.094 0.000 3.007 124 V HA 0.215 4.391 4.120 0.093 0.000 0.311 124 V C -0.486 175.677 176.094 0.115 0.000 1.120 124 V CA -0.966 61.397 62.300 0.105 0.000 0.980 124 V CB 3.955 35.849 31.823 0.119 0.000 1.033 124 V HN 0.228 8.480 8.190 0.102 0.000 0.429 125 S N 1.519 117.289 115.700 0.116 0.000 2.679 125 S HA -0.035 4.490 4.470 0.091 0.000 0.233 125 S C 0.240 174.926 174.600 0.143 0.000 0.951 125 S CA 0.722 58.986 58.200 0.107 0.000 0.973 125 S CB -0.045 63.207 63.200 0.088 0.000 0.778 125 S HN 0.242 8.618 8.310 0.111 0.000 0.477 126 H N 2.120 121.220 119.070 0.050 0.000 2.270 126 H HA -0.144 4.439 4.556 0.045 0.000 0.299 126 H C -1.218 174.131 175.328 0.035 0.000 1.077 126 H CA 1.870 57.943 56.048 0.042 0.000 1.294 126 H CB 0.579 30.361 29.762 0.034 0.000 1.371 126 H HN 0.277 8.590 8.280 0.231 0.105 0.491 127 L N -6.052 115.044 121.223 -0.212 0.000 2.469 127 L HA 0.404 4.632 4.340 -0.187 0.000 0.256 127 L C -2.038 174.771 176.870 -0.101 0.000 1.006 127 L CA -3.446 51.235 54.840 -0.266 0.000 0.832 127 L CB 2.715 44.469 42.059 -0.508 0.000 1.421 127 L HN -0.523 7.671 8.230 -0.060 0.000 0.410 128 P HA 0.025 4.446 4.420 0.002 0.000 0.234 128 P C -1.121 176.104 177.300 -0.125 0.000 1.167 128 P CA 1.232 64.291 63.100 -0.069 0.000 0.763 128 P CB 0.408 32.046 31.700 -0.103 0.000 0.835 129 D N -3.615 116.709 120.400 -0.128 0.000 2.479 129 D HA 0.129 4.601 4.640 -0.279 0.000 0.216 129 D C 0.940 177.277 176.300 0.063 0.000 1.110 129 D CA 0.493 54.419 54.000 -0.125 0.000 0.841 129 D CB -0.096 40.599 40.800 -0.175 0.000 1.040 129 D HN -0.027 8.188 8.370 -0.133 0.075 0.505 130 D N 0.813 121.229 120.400 0.026 0.000 2.106 130 D HA -0.416 4.258 4.640 0.058 0.000 0.191 130 D C 1.441 177.828 176.300 0.146 0.000 0.997 130 D CA 3.628 57.671 54.000 0.071 0.000 0.834 130 D CB 0.502 41.343 40.800 0.069 0.000 0.956 130 D HN -0.721 7.495 8.370 -0.044 0.128 0.448 131 Q N -2.551 117.371 119.800 0.203 0.000 2.124 131 Q HA -0.281 4.153 4.340 0.156 0.000 0.202 131 Q C 1.894 178.055 176.000 0.269 0.000 0.977 131 Q CA 2.687 58.618 55.803 0.213 0.000 0.850 131 Q CB -0.561 28.297 28.738 0.200 0.000 0.901 131 Q HN -0.408 7.982 8.270 0.200 0.000 0.429 132 F N -0.282 119.721 119.950 0.088 0.000 2.046 132 F HA -0.156 4.544 4.527 0.289 0.000 0.297 132 F C 2.295 177.915 175.800 -0.299 0.000 1.123 132 F CA 2.840 60.859 58.000 0.032 0.000 1.199 132 F CB -0.354 38.658 39.000 0.021 0.000 0.972 132 F HN -0.422 8.168 8.300 0.652 0.102 0.474 133 L N -4.838 116.415 121.223 0.049 0.000 2.291 133 L HA -0.279 3.988 4.340 -0.121 0.000 0.214 133 L C 1.803 178.629 176.870 -0.073 0.000 1.120 133 L CA 3.076 57.884 54.840 -0.053 0.000 0.799 133 L CB -1.139 40.932 42.059 0.019 0.000 0.925 133 L HN 0.054 8.382 8.230 0.162 0.000 0.446 134 D N -0.436 119.956 120.400 -0.013 0.000 2.144 134 D HA -0.174 4.484 4.640 0.030 0.000 0.200 134 D C 1.650 177.966 176.300 0.027 0.000 0.978 134 D CA 3.638 57.656 54.000 0.029 0.000 0.833 134 D CB 0.156 41.003 40.800 0.078 0.000 0.961 134 D HN -0.112 8.138 8.370 0.040 0.144 0.470 135 H N -4.157 114.921 119.070 0.015 0.000 2.547 135 H HA 0.052 4.604 4.556 -0.007 0.000 0.272 135 H C 1.123 176.445 175.328 -0.010 0.000 0.971 135 H CA 1.341 57.381 56.048 -0.015 0.000 1.245 135 H CB 0.348 30.073 29.762 -0.062 0.000 1.440 135 H HN -0.439 7.792 8.280 -0.082 0.000 0.540 136 I N -0.612 119.622 120.570 -0.560 0.000 2.617 136 I HA -0.230 3.824 4.170 -0.193 0.000 0.256 136 I C -0.380 175.678 176.117 -0.098 0.000 1.167 136 I CA 0.084 61.194 61.300 -0.317 0.000 1.469 136 I CB 0.821 38.621 38.000 -0.333 0.000 1.098 136 I HN -0.471 7.189 8.210 -0.699 0.130 0.436 137 I N -4.133 116.403 120.570 -0.057 0.000 5.115 137 I HA -0.515 3.686 4.170 0.051 0.000 0.126 137 I C -1.086 175.041 176.117 0.016 0.000 1.316 137 I CA 1.271 62.584 61.300 0.022 0.000 2.641 137 I CB -2.942 35.083 38.000 0.043 0.000 2.272 137 I HN -0.450 7.683 8.210 -0.085 0.026 0.321 138 Q N 1.096 120.897 119.800 0.001 0.000 2.517 138 Q HA 0.047 4.394 4.340 0.011 0.000 0.188 138 Q C -0.079 175.939 176.000 0.031 0.000 0.736 138 Q CA -0.493 55.315 55.803 0.007 0.000 0.834 138 Q CB 2.290 31.020 28.738 -0.014 0.000 1.198 138 Q HN 0.013 8.279 8.270 -0.014 -0.004 0.596 139 L N -1.549 119.696 121.223 0.036 0.000 3.660 139 L HA -0.257 4.147 4.340 0.106 0.000 0.440 139 L C -0.436 176.502 176.870 0.114 0.000 1.262 139 L CA 0.726 55.618 54.840 0.087 0.000 0.837 139 L CB -1.896 40.213 42.059 0.082 0.000 1.689 139 L HN 0.118 8.356 8.230 0.013 0.000 0.890 140 G N -4.582 104.264 108.800 0.077 0.000 2.273 140 G HA2 -0.183 3.831 3.960 0.090 0.000 0.162 140 G HA3 -0.183 3.845 3.960 0.113 0.000 0.162 140 G C -0.757 174.167 174.900 0.040 0.000 1.006 140 G CA -0.645 44.505 45.100 0.084 0.000 0.704 140 G HN -0.037 8.270 8.290 0.033 0.002 0.487 141 G N -1.150 107.662 108.800 0.021 0.000 2.860 141 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.547 141 G HA3 -0.279 3.686 3.960 0.009 0.000 0.547 141 G C -1.671 173.237 174.900 0.013 0.000 1.103 141 G CA -0.152 44.953 45.100 0.009 0.000 1.126 141 G HN -0.320 7.875 8.290 0.020 0.107 0.490 142 M N 2.551 122.155 119.600 0.006 0.000 2.106 142 M HA 0.176 4.656 4.480 0.001 0.000 0.241 142 M C -2.526 173.765 176.300 -0.014 0.000 0.946 142 M CA -2.257 53.044 55.300 0.000 0.000 1.024 142 M CB 2.983 35.589 32.600 0.009 0.000 2.191 142 M HN -0.131 8.160 8.290 0.002 0.000 0.429 143 P HA 0.078 4.485 4.420 -0.021 0.000 0.270 143 P C -1.471 175.805 177.300 -0.040 0.000 1.242 143 P CA 0.071 63.157 63.100 -0.023 0.000 0.768 143 P CB -0.325 31.366 31.700 -0.015 0.000 0.820 144 A N 4.739 127.527 122.820 -0.053 0.000 2.518 144 A HA 0.062 4.341 4.320 -0.069 0.000 0.295 144 A C -1.784 175.748 177.584 -0.088 0.000 1.052 144 A CA -0.006 51.982 52.037 -0.081 0.000 0.824 144 A CB 1.721 20.646 19.000 -0.125 0.000 1.325 144 A HN 0.016 8.139 8.150 -0.045 0.000 0.394 145 E N 1.851 122.006 120.200 -0.075 0.000 2.505 145 E HA -0.059 4.244 4.350 -0.078 0.000 0.212 145 E C 0.355 176.913 176.600 -0.072 0.000 0.825 145 E CA 0.136 56.494 56.400 -0.068 0.000 1.333 145 E CB 0.688 30.363 29.700 -0.043 0.000 1.319 145 E HN 0.397 8.718 8.360 -0.066 0.000 0.658 146 L N -3.219 117.965 121.223 -0.066 0.000 2.741 146 L HA 0.271 4.578 4.340 -0.055 0.000 0.237 146 L C -0.047 176.782 176.870 -0.068 0.000 1.178 146 L CA 0.993 55.799 54.840 -0.057 0.000 0.973 146 L CB 0.029 42.064 42.059 -0.039 0.000 1.255 146 L HN -0.569 7.623 8.230 -0.063 0.000 0.498 147 V N -6.769 113.083 119.914 -0.103 0.000 3.432 147 V HA 0.105 4.176 4.120 -0.081 0.000 0.298 147 V C 0.469 176.450 176.094 -0.189 0.000 1.464 147 V CA -0.441 61.785 62.300 -0.122 0.000 1.046 147 V CB 0.782 32.526 31.823 -0.132 0.000 0.887 147 V HN -0.626 7.409 8.190 -0.119 0.084 0.441 148 E N 0.034 120.104 120.200 -0.217 0.000 2.267 148 E HA -0.397 3.636 4.350 -0.527 0.000 0.197 148 E C 1.060 177.553 176.600 -0.178 0.000 0.998 148 E CA 2.856 59.078 56.400 -0.296 0.000 0.830 148 E CB -0.856 28.712 29.700 -0.221 0.000 0.751 148 E HN 0.265 8.522 8.360 -0.172 0.000 0.491 149 N N 0.007 118.641 118.700 -0.110 0.000 2.278 149 N HA -0.146 4.559 4.740 -0.059 0.000 0.181 149 N C 1.248 176.730 175.510 -0.046 0.000 1.023 149 N CA 2.465 55.475 53.050 -0.066 0.000 0.862 149 N CB -0.345 38.111 38.487 -0.052 0.000 1.003 149 N HN 0.095 8.363 8.380 -0.107 0.047 0.431 150 K N -1.707 118.671 120.400 -0.036 0.000 2.362 150 K HA -0.213 4.110 4.320 0.005 0.000 0.200 150 K C 1.874 178.509 176.600 0.058 0.000 1.046 150 K CA 2.600 58.892 56.287 0.008 0.000 0.952 150 K CB -0.742 31.773 32.500 0.024 0.000 0.753 150 K HN 0.117 8.336 8.250 -0.051 0.000 0.466 151 E N -0.439 119.770 120.200 0.014 0.000 2.102 151 E HA -0.131 4.401 4.350 0.304 0.000 0.190 151 E C 1.460 178.168 176.600 0.181 0.000 0.971 151 E CA 2.666 59.134 56.400 0.113 0.000 0.821 151 E CB 0.515 30.142 29.700 -0.121 0.000 0.777 151 E HN -0.212 8.051 8.360 -0.064 0.058 0.460 152 V N 0.028 119.992 119.914 0.084 0.000 2.759 152 V HA -0.276 3.939 4.120 0.158 0.000 0.256 152 V C 1.669 177.706 176.094 -0.094 0.000 1.080 152 V CA 3.301 65.640 62.300 0.065 0.000 1.101 152 V CB -0.171 31.680 31.823 0.046 0.000 0.698 152 V HN -0.745 7.451 8.190 0.011 0.000 0.477 153 M N -5.758 113.782 119.600 -0.101 0.000 2.545 153 M HA 0.286 4.599 4.480 -0.279 0.000 0.264 153 M C 0.138 176.289 176.300 -0.249 0.000 1.155 153 M CA 2.550 57.736 55.300 -0.190 0.000 1.162 153 M CB 0.993 33.529 32.600 -0.107 0.000 1.330 153 M HN -0.612 7.615 8.290 -0.038 0.040 0.479 154 S N 0.240 115.868 115.700 -0.121 0.000 2.583 154 S HA 0.042 4.375 4.470 -0.229 0.000 0.203 154 S C 0.897 175.322 174.600 -0.292 0.000 0.952 154 S CA 1.667 59.787 58.200 -0.133 0.000 0.887 154 S CB 0.803 64.077 63.200 0.123 0.000 0.857 154 S HN -0.560 7.663 8.310 -0.010 0.080 0.611 155 F N -0.397 119.507 119.950 -0.077 0.000 2.225 155 F HA -0.301 4.333 4.527 0.179 0.000 0.302 155 F C 0.501 176.324 175.800 0.037 0.000 1.068 155 F CA 2.603 60.640 58.000 0.063 0.000 1.327 155 F CB 0.734 39.835 39.000 0.169 0.000 1.043 155 F HN -0.936 7.653 8.300 0.482 0.000 0.506 156 F N -3.394 116.496 119.950 -0.100 0.000 2.535 156 F HA -0.384 4.229 4.527 -0.088 -0.139 0.386 156 F C -1.477 174.365 175.800 0.070 0.000 1.115 156 F CA -0.370 57.567 58.000 -0.104 0.000 1.261 156 F CB -1.704 37.133 39.000 -0.272 0.000 1.785 156 F HN -0.247 8.033 8.300 0.031 0.038 0.793 157 L N -1.814 119.610 121.223 0.334 0.000 2.503 157 L HA 0.062 4.406 4.340 0.005 0.000 0.287 157 L C -1.497 175.474 176.870 0.169 0.000 1.252 157 L CA -0.260 54.666 54.840 0.143 0.000 0.835 157 L CB -0.493 41.634 42.059 0.113 0.000 1.099 157 L HN -0.511 7.879 8.230 0.268 0.000 0.516 158 P HA -0.067 4.305 4.420 -0.079 0.000 0.217 158 P C -0.327 176.658 177.300 -0.525 0.000 1.151 158 P CA 0.588 63.563 63.100 -0.208 0.000 0.828 158 P CB 0.167 31.716 31.700 -0.253 0.000 0.788 159 S N -0.953 114.566 115.700 -0.303 0.000 2.887 159 S HA -0.204 4.016 4.470 -0.416 0.000 0.337 159 S C 1.583 176.109 174.600 -0.123 0.000 1.209 159 S CA 1.419 59.457 58.200 -0.269 0.000 1.186 159 S CB 0.046 63.206 63.200 -0.068 0.000 0.925 159 S HN -0.249 7.951 8.310 -0.184 0.000 0.522 160 F N 6.713 126.688 119.950 0.042 0.000 2.053 160 F HA -0.291 4.331 4.527 0.158 0.000 0.292 160 F C 1.796 177.538 175.800 -0.098 0.000 1.125 160 F CA 2.782 60.734 58.000 -0.081 0.000 1.193 160 F CB -0.723 38.065 39.000 -0.353 0.000 0.996 160 F HN -0.326 7.549 8.300 -0.707 0.000 0.470 161 R N -1.618 118.929 120.500 0.078 0.000 2.174 161 R HA -0.433 3.948 4.340 0.069 0.000 0.253 161 R C 2.120 178.498 176.300 0.131 0.000 1.165 161 R CA 3.302 59.450 56.100 0.080 0.000 0.984 161 R CB -1.315 29.020 30.300 0.059 0.000 0.873 161 R HN 0.298 8.629 8.270 0.102 0.000 0.456 162 S N 0.739 116.509 115.700 0.117 0.000 2.343 162 S HA -0.239 4.278 4.470 0.079 0.000 0.212 162 S C 1.455 176.144 174.600 0.148 0.000 1.033 162 S CA 3.172 61.436 58.200 0.106 0.000 1.004 162 S CB -0.620 62.626 63.200 0.078 0.000 0.977 162 S HN -0.476 7.862 8.310 0.089 0.025 0.427 163 D N 1.972 122.493 120.400 0.202 0.000 2.116 163 D HA -0.359 4.330 4.640 0.082 0.000 0.193 163 D C 2.386 178.826 176.300 0.233 0.000 0.998 163 D CA 3.262 57.374 54.000 0.187 0.000 0.836 163 D CB 0.036 40.972 40.800 0.225 0.000 0.951 163 D HN -0.781 7.714 8.370 0.209 0.000 0.449 164 Y N -1.070 119.308 120.300 0.130 0.000 2.014 164 Y HA -0.438 4.194 4.550 0.136 0.000 0.272 164 Y C 2.322 178.250 175.900 0.048 0.000 1.164 164 Y CA 2.993 61.168 58.100 0.126 0.000 1.114 164 Y CB -0.555 38.009 38.460 0.174 0.000 0.961 164 Y HN 0.262 8.895 8.280 0.755 0.100 0.489 165 R N -0.948 119.679 120.500 0.212 0.000 2.241 165 R HA -0.329 4.226 4.340 0.018 -0.205 0.224 165 R C 2.105 178.386 176.300 -0.031 0.000 1.101 165 R CA 2.292 58.424 56.100 0.053 0.000 0.995 165 R CB -0.132 30.193 30.300 0.042 0.000 0.870 165 R HN -0.438 7.995 8.270 0.272 0.000 0.463 166 A N -1.209 121.615 122.820 0.006 0.000 2.123 166 A HA -0.082 4.204 4.320 -0.057 0.000 0.214 166 A C 0.691 178.225 177.584 -0.084 0.000 1.152 166 A CA 2.025 54.039 52.037 -0.038 0.000 0.728 166 A CB -0.058 18.937 19.000 -0.009 0.000 0.814 166 A HN 0.070 8.080 8.150 0.074 0.184 0.464 167 L N -3.783 117.390 121.223 -0.084 0.000 2.731 167 L HA 0.170 4.433 4.340 -0.127 0.000 0.240 167 L C 0.616 177.380 176.870 -0.177 0.000 1.120 167 L CA 1.100 55.870 54.840 -0.117 0.000 0.913 167 L CB 0.746 42.749 42.059 -0.093 0.000 1.213 167 L HN -0.286 7.751 8.230 -0.038 0.171 0.515 168 E N -2.088 117.978 120.200 -0.223 0.000 2.441 168 E HA 0.104 4.160 4.350 -0.490 0.000 0.207 168 E C -0.342 175.681 176.600 -0.962 0.000 0.803 168 E CA -0.350 55.795 56.400 -0.425 0.000 1.240 168 E CB 0.640 30.320 29.700 -0.033 0.000 1.233 168 E HN -0.142 8.018 8.360 -0.156 0.106 0.590 169 Q N -3.413 116.079 119.800 -0.514 0.000 2.481 169 Q HA -0.371 3.938 4.340 -0.233 -0.108 0.272 169 Q C -0.850 174.876 176.000 -0.456 0.000 1.157 169 Q CA 1.336 56.862 55.803 -0.462 0.000 0.935 169 Q CB -2.123 26.331 28.738 -0.473 0.000 1.338 169 Q HN -0.130 7.843 8.270 -0.271 0.134 0.494 170 F N -4.748 115.201 119.950 -0.001 0.000 2.746 170 F HA 0.068 4.582 4.527 -0.023 0.000 0.320 170 F C 0.172 175.974 175.800 0.004 0.000 1.097 170 F CA -0.809 57.189 58.000 -0.002 0.000 1.195 170 F CB 0.722 39.731 39.000 0.015 0.000 1.056 170 F HN -0.228 7.958 8.300 -0.145 0.028 0.562 171 E N 0.507 120.794 120.200 0.144 0.000 2.442 171 E HA -0.137 4.298 4.350 0.141 0.000 0.262 171 E C -0.480 176.106 176.600 -0.023 0.000 1.004 171 E CA 0.731 57.187 56.400 0.094 0.000 0.928 171 E CB -0.065 29.689 29.700 0.090 0.000 0.937 171 E HN -0.330 8.086 8.360 0.093 0.000 0.446 172 L N 2.555 123.759 121.223 -0.032 0.000 2.376 172 L HA 0.161 4.311 4.340 -0.317 0.000 0.267 172 L C 0.236 177.017 176.870 -0.148 0.000 1.035 172 L CA -0.808 53.944 54.840 -0.146 0.000 0.800 172 L CB 1.046 43.099 42.059 -0.010 0.000 1.290 172 L HN 0.068 8.317 8.230 0.032 0.000 0.462 173 Y N -1.865 118.469 120.300 0.058 0.000 2.497 173 Y HA -0.188 4.392 4.550 0.051 0.000 0.292 173 Y C -0.318 175.609 175.900 0.045 0.000 1.137 173 Y CA 0.833 58.962 58.100 0.049 0.000 1.285 173 Y CB 0.340 38.824 38.460 0.040 0.000 0.991 173 Y HN 0.141 8.272 8.280 -0.249 0.000 0.556 174 D N -2.765 117.732 120.400 0.162 0.000 2.502 174 D HA 0.131 4.835 4.640 0.107 0.000 0.249 174 D C -0.835 175.509 176.300 0.073 0.000 1.092 174 D CA -0.754 53.311 54.000 0.109 0.000 0.839 174 D CB 0.936 41.796 40.800 0.099 0.000 1.264 174 D HN -0.550 7.843 8.370 0.140 0.061 0.511 175 L N -4.357 116.901 121.223 0.059 0.000 3.086 175 L HA 0.361 4.728 4.340 0.045 0.000 0.274 175 L C -1.385 175.500 176.870 0.024 0.000 1.184 175 L CA -0.712 54.152 54.840 0.041 0.000 1.002 175 L CB 0.399 42.479 42.059 0.035 0.000 1.383 175 L HN -0.039 8.229 8.230 0.063 0.000 0.582 176 A N -1.847 120.990 122.820 0.029 0.000 2.313 176 A HA -0.049 4.339 4.320 0.014 -0.060 0.261 176 A C -0.264 177.322 177.584 0.003 0.000 1.090 176 A CA -0.107 51.942 52.037 0.019 0.000 0.807 176 A CB 0.970 19.989 19.000 0.032 0.000 1.055 176 A HN -0.534 7.640 8.150 0.041 0.000 0.492 177 Q N -3.704 116.090 119.800 -0.009 0.000 2.459 177 Q HA -0.535 3.788 4.340 -0.029 0.000 0.314 177 Q C -1.830 174.157 176.000 -0.021 0.000 1.432 177 Q CA 1.155 56.944 55.803 -0.022 0.000 0.823 177 Q CB -2.341 26.381 28.738 -0.027 0.000 1.124 177 Q HN 0.233 8.503 8.270 0.001 0.000 0.392 178 I N -0.927 119.624 120.570 -0.032 0.000 2.534 178 I HA 0.137 4.293 4.170 -0.022 0.000 0.288 178 I C -2.262 173.821 176.117 -0.057 0.000 1.077 178 I CA -0.846 60.434 61.300 -0.034 0.000 1.051 178 I CB 2.494 40.478 38.000 -0.027 0.000 1.234 178 I HN -0.130 8.054 8.210 -0.042 0.000 0.425 179 Q N 2.360 122.134 119.800 -0.044 0.000 2.443 179 Q HA 0.347 4.831 4.340 -0.072 -0.187 0.258 179 Q C -1.907 174.080 176.000 -0.022 0.000 0.967 179 Q CA -0.508 55.268 55.803 -0.045 0.000 0.951 179 Q CB 2.744 31.462 28.738 -0.033 0.000 1.459 179 Q HN 0.011 8.263 8.270 -0.030 0.000 0.415 180 S N 3.261 118.948 115.700 -0.022 0.000 5.984 180 S HA 0.141 4.615 4.470 0.007 0.000 0.117 180 S C -1.790 172.810 174.600 0.000 0.000 1.161 180 S CA 0.650 58.846 58.200 -0.006 0.000 1.393 180 S CB -0.210 62.983 63.200 -0.012 0.000 1.908 180 S HN 0.298 8.805 8.310 -0.039 -0.220 0.533 181 P HA 0.135 4.558 4.420 0.005 0.000 0.296 181 P C -1.922 175.392 177.300 0.023 0.000 1.295 181 P CA -0.101 62.993 63.100 -0.010 0.000 0.754 181 P CB 0.864 32.540 31.700 -0.040 0.000 1.311 182 V N -3.594 116.357 119.914 0.061 0.000 2.789 182 V HA 0.177 4.409 4.120 0.186 0.000 0.311 182 V C -1.463 174.764 176.094 0.221 0.000 1.073 182 V CA -0.953 61.441 62.300 0.157 0.000 0.921 182 V CB 3.153 35.086 31.823 0.182 0.000 1.009 182 V HN -0.291 7.815 8.190 0.047 0.113 0.426 183 H N 3.902 122.991 119.070 0.031 0.000 3.003 183 H HA 0.800 5.563 4.556 -0.011 -0.214 0.327 183 H C -2.702 172.495 175.328 -0.218 0.000 1.353 183 H CA -1.851 54.157 56.048 -0.066 0.000 1.142 183 H CB 2.956 32.655 29.762 -0.105 0.000 1.864 183 H HN 0.350 8.905 8.280 0.458 0.000 0.529 184 V N -1.754 117.854 119.914 -0.511 0.000 2.969 184 V HA 0.224 3.780 4.120 -1.101 -0.098 0.304 184 V C -2.225 173.489 176.094 -0.634 0.000 1.192 184 V CA -0.358 61.537 62.300 -0.674 0.000 0.962 184 V CB 4.560 36.339 31.823 -0.074 0.000 1.045 184 V HN -0.312 7.696 8.190 -0.304 0.000 0.428 185 F N 2.928 122.854 119.950 -0.041 0.000 2.420 185 F HA 0.472 5.002 4.527 0.005 0.000 0.342 185 F C -0.700 175.156 175.800 0.094 0.000 1.113 185 F CA -1.678 56.340 58.000 0.029 0.000 1.059 185 F CB 1.060 40.112 39.000 0.086 0.000 1.128 185 F HN 0.638 8.513 8.300 -0.708 0.000 0.475 186 N N 1.081 119.927 118.700 0.244 0.000 2.262 186 N HA 0.602 5.722 4.740 0.395 -0.143 0.295 186 N C -0.147 175.509 175.510 0.244 0.000 1.161 186 N CA -0.952 52.266 53.050 0.280 0.000 0.767 186 N CB 4.179 42.780 38.487 0.189 0.000 1.499 186 N HN -0.234 8.396 8.380 0.188 -0.138 0.476 187 G N 0.853 109.818 108.800 0.275 0.000 2.833 187 G HA2 -0.353 3.737 3.960 0.218 0.000 0.260 187 G HA3 -0.353 3.721 3.960 0.191 0.000 0.260 187 G C -1.150 173.816 174.900 0.110 0.000 1.412 187 G CA 0.109 45.326 45.100 0.195 0.000 0.986 187 G HN -0.003 8.523 8.290 0.394 0.000 0.556 188 L N -1.386 119.895 121.223 0.096 0.000 3.829 188 L HA -0.360 4.002 4.340 0.037 0.000 0.440 188 L C -0.654 176.235 176.870 0.032 0.000 1.192 188 L CA 0.348 55.214 54.840 0.043 0.000 0.848 188 L CB -2.286 39.781 42.059 0.012 0.000 1.744 188 L HN 0.318 8.618 8.230 0.117 0.000 0.920 189 D N -3.469 116.973 120.400 0.070 0.000 2.178 189 D HA -0.326 4.403 4.640 0.051 -0.058 0.201 189 D C 1.268 177.614 176.300 0.077 0.000 0.980 189 D CA 2.099 56.156 54.000 0.095 0.000 0.842 189 D CB 0.032 40.959 40.800 0.212 0.000 0.948 189 D HN 0.018 8.430 8.370 0.095 0.015 0.472 190 D N 0.566 121.007 120.400 0.069 0.000 2.083 190 D HA -0.194 4.489 4.640 0.071 0.000 0.199 190 D C -0.239 176.069 176.300 0.012 0.000 0.980 190 D CA 3.296 57.329 54.000 0.055 0.000 0.851 190 D CB 0.284 41.121 40.800 0.062 0.000 0.997 190 D HN 0.254 8.649 8.370 0.071 0.017 0.449 191 K N -2.514 117.889 120.400 0.005 0.000 2.182 191 K HA 0.059 4.366 4.320 -0.021 0.000 0.262 191 K C -0.595 175.983 176.600 -0.037 0.000 0.957 191 K CA -0.870 55.409 56.287 -0.013 0.000 0.842 191 K CB 1.077 33.577 32.500 0.001 0.000 1.099 191 K HN -0.033 8.222 8.250 0.010 0.000 0.438 192 K N 1.922 122.290 120.400 -0.052 0.000 2.436 192 K HA 0.112 4.385 4.320 -0.078 0.000 0.198 192 K C 1.036 177.582 176.600 -0.090 0.000 1.174 192 K CA 1.574 57.815 56.287 -0.076 0.000 0.951 192 K CB 0.660 33.109 32.500 -0.085 0.000 1.040 192 K HN 0.350 8.571 8.250 -0.049 0.000 0.536 193 C N -1.211 118.053 119.300 -0.059 0.000 2.448 193 C HA -0.213 4.193 4.460 -0.088 0.000 0.280 193 C C 1.195 176.146 174.990 -0.065 0.000 1.398 193 C CA 3.598 62.588 59.018 -0.046 0.000 1.774 193 C CB -1.248 26.510 27.740 0.031 0.000 1.888 193 C HN 0.070 8.275 8.230 -0.041 0.000 0.519 194 I N 0.162 120.704 120.570 -0.045 0.000 2.226 194 I HA -0.428 3.722 4.170 -0.032 0.000 0.245 194 I C 0.994 177.003 176.117 -0.181 0.000 1.100 194 I CA 3.385 64.639 61.300 -0.077 0.000 1.374 194 I CB 0.082 38.050 38.000 -0.053 0.000 1.057 194 I HN 0.086 8.239 8.210 -0.032 0.038 0.413 195 R N -2.142 118.244 120.500 -0.191 0.000 2.119 195 R HA -0.247 3.933 4.340 -0.266 0.000 0.222 195 R C 1.574 177.755 176.300 -0.198 0.000 1.088 195 R CA 2.879 58.837 56.100 -0.237 0.000 0.984 195 R CB -0.723 29.406 30.300 -0.284 0.000 0.884 195 R HN -0.602 7.572 8.270 -0.159 0.000 0.447 196 D N -0.601 119.683 120.400 -0.194 0.000 2.144 196 D HA -0.203 4.332 4.640 -0.175 0.000 0.200 196 D C 2.036 178.236 176.300 -0.167 0.000 0.978 196 D CA 3.050 56.935 54.000 -0.191 0.000 0.833 196 D CB -0.017 40.653 40.800 -0.218 0.000 0.961 196 D HN -0.661 7.515 8.370 -0.185 0.083 0.470 197 A N -0.669 121.990 122.820 -0.269 0.000 1.855 197 A HA -0.213 3.973 4.320 -0.225 0.000 0.213 197 A C 1.944 179.394 177.584 -0.223 0.000 1.195 197 A CA 3.033 54.842 52.037 -0.380 0.000 0.610 197 A CB -0.075 18.209 19.000 -1.193 0.000 0.837 197 A HN -0.000 7.971 8.150 -0.297 0.000 0.444 198 E N -3.222 116.847 120.200 -0.219 0.000 2.418 198 E HA -0.193 4.120 4.350 -0.063 0.000 0.197 198 E C 1.877 178.485 176.600 0.013 0.000 1.026 198 E CA 1.657 58.002 56.400 -0.091 0.000 0.862 198 E CB -0.349 29.280 29.700 -0.118 0.000 0.799 198 E HN -0.216 7.974 8.360 -0.284 0.000 0.518 199 G N -1.761 107.050 108.800 0.019 0.000 2.437 199 G HA2 0.059 4.121 3.960 0.170 0.000 0.212 199 G HA3 0.059 4.175 3.960 0.066 -0.117 0.212 199 G C 0.027 174.985 174.900 0.095 0.000 1.174 199 G CA 0.583 45.741 45.100 0.097 0.000 0.811 199 G HN -0.211 7.822 8.290 -0.050 0.226 0.537 200 W N 1.886 123.056 121.300 -0.216 0.000 2.519 200 W HA -0.168 4.209 4.660 -0.472 0.000 0.266 200 W C 1.648 178.044 176.519 -0.206 0.000 1.253 200 W CA 1.138 58.269 57.345 -0.358 0.000 1.274 200 W CB 0.661 29.869 29.460 -0.419 0.000 1.114 200 W HN -0.402 7.889 8.180 0.186 0.000 0.596 201 K N -0.515 119.924 120.400 0.065 0.000 2.160 201 K HA -0.307 4.100 4.320 0.145 0.000 0.206 201 K C 0.470 177.126 176.600 0.094 0.000 1.047 201 K CA 2.461 58.803 56.287 0.092 0.000 0.930 201 K CB -0.671 31.870 32.500 0.067 0.000 0.720 201 K HN -0.330 7.928 8.250 0.073 0.036 0.450 202 K N -5.473 114.946 120.400 0.033 0.000 2.356 202 K HA -0.016 4.343 4.320 0.066 0.000 0.195 202 K C 0.138 176.763 176.600 0.041 0.000 1.037 202 K CA -0.387 55.922 56.287 0.036 0.000 1.014 202 K CB 0.098 32.606 32.500 0.013 0.000 0.815 202 K HN -0.705 7.528 8.250 0.005 0.020 0.507 203 W N -3.191 117.897 121.300 -0.353 0.000 4.233 203 W HA -0.453 3.556 4.660 -1.086 0.000 0.328 203 W C -1.325 174.906 176.519 -0.479 0.000 1.212 203 W CA 0.342 57.312 57.345 -0.624 0.000 0.752 203 W CB -1.606 27.557 29.460 -0.495 0.000 2.277 203 W HN -0.750 7.089 8.180 -0.256 0.187 1.465 204 A N -2.090 120.614 122.820 -0.194 0.000 2.274 204 A HA 0.139 4.387 4.320 -0.122 0.000 0.309 204 A C -1.637 175.798 177.584 -0.248 0.000 1.226 204 A CA -0.221 51.721 52.037 -0.159 0.000 0.853 204 A CB 0.949 19.893 19.000 -0.095 0.000 1.146 204 A HN -0.403 7.594 8.150 -0.182 0.043 0.518 205 K N 4.167 124.403 120.400 -0.273 0.000 2.656 205 K HA 0.145 4.198 4.320 -0.445 0.000 0.241 205 K C -1.695 174.807 176.600 -0.163 0.000 0.967 205 K CA -1.136 54.888 56.287 -0.439 0.000 0.946 205 K CB 1.912 33.914 32.500 -0.831 0.000 1.164 205 K HN 0.201 8.335 8.250 -0.192 0.000 0.459 206 D N 2.632 123.011 120.400 -0.035 0.000 2.341 206 D HA -0.178 4.434 4.640 -0.046 0.000 0.235 206 D C 1.082 177.473 176.300 0.152 0.000 1.265 206 D CA 1.026 55.035 54.000 0.014 0.000 0.888 206 D CB 0.728 41.483 40.800 -0.075 0.000 1.192 206 D HN 0.079 8.455 8.370 0.009 0.000 0.462 207 I N -0.212 120.429 120.570 0.118 0.000 2.399 207 I HA -0.280 3.971 4.170 0.136 0.000 0.254 207 I C -0.203 176.037 176.117 0.206 0.000 1.146 207 I CA 1.826 63.211 61.300 0.143 0.000 1.412 207 I CB 0.835 38.894 38.000 0.098 0.000 1.076 207 I HN -0.260 7.990 8.210 0.067 0.000 0.432 208 T N 2.013 116.711 114.554 0.240 0.000 3.103 208 T HA 0.181 4.634 4.350 0.171 0.000 0.352 208 T C -2.105 172.741 174.700 0.243 0.000 1.048 208 T CA -0.282 61.937 62.100 0.199 0.000 1.175 208 T CB 0.345 69.300 68.868 0.145 0.000 1.029 208 T HN -0.794 7.552 8.240 0.234 0.035 0.498 209 F N 4.850 124.840 119.950 0.066 0.000 2.495 209 F HA 1.096 5.790 4.527 -0.177 -0.272 0.327 209 F C -1.773 174.044 175.800 0.027 0.000 1.103 209 F CA -3.516 54.484 58.000 -0.001 0.000 0.949 209 F CB 2.234 41.351 39.000 0.196 0.000 1.142 209 F HN 0.149 8.755 8.300 0.509 0.000 0.457 210 H N 3.873 122.697 119.070 -0.411 0.000 2.928 210 H HA 0.386 4.717 4.556 -0.374 0.000 0.371 210 H C -1.898 173.416 175.328 -0.022 0.000 1.186 210 H CA -1.096 54.761 56.048 -0.318 0.000 1.134 210 H CB 4.336 33.864 29.762 -0.390 0.000 1.824 210 H HN 0.042 8.106 8.280 -0.361 0.000 0.554 211 Q N 1.984 121.543 119.800 -0.402 0.000 2.292 211 Q HA 0.390 5.034 4.340 0.270 -0.141 0.270 211 Q C -2.403 173.526 176.000 -0.117 0.000 1.024 211 Q CA -1.579 54.197 55.803 -0.044 0.000 0.768 211 Q CB 2.370 31.100 28.738 -0.015 0.000 1.250 211 Q HN 0.336 7.985 8.270 -1.035 0.000 0.447 212 F N 6.056 125.980 119.950 -0.043 0.000 2.513 212 F HA 0.348 4.831 4.527 -0.073 0.000 0.358 212 F C -2.716 173.134 175.800 0.084 0.000 1.118 212 F CA -1.044 56.962 58.000 0.010 0.000 1.037 212 F CB 2.617 41.688 39.000 0.117 0.000 1.276 212 F HN 0.230 8.696 8.300 0.277 0.000 0.446 213 D N 4.258 124.430 120.400 -0.380 0.000 2.252 213 D HA 0.805 5.586 4.640 -0.197 -0.260 0.245 213 D C -0.631 175.469 176.300 -0.333 0.000 1.009 213 D CA -2.638 51.193 54.000 -0.281 0.000 0.870 213 D CB 3.343 44.063 40.800 -0.133 0.000 1.251 213 D HN -0.329 7.845 8.370 -0.326 0.000 0.460 214 G N -1.513 107.181 108.800 -0.176 0.000 2.724 214 G HA2 0.107 4.035 3.960 -0.053 0.000 0.217 214 G HA3 0.107 4.064 3.960 -0.006 0.000 0.217 214 G C -1.426 173.427 174.900 -0.079 0.000 1.251 214 G CA -0.046 45.007 45.100 -0.078 0.000 0.867 214 G HN -0.428 7.802 8.290 -0.101 0.000 0.590 215 G N -0.850 107.919 108.800 -0.053 0.000 2.730 215 G HA2 -0.236 3.818 3.960 -0.073 0.000 0.644 215 G HA3 -0.236 3.635 3.960 -0.148 0.000 0.644 215 G C -1.387 173.376 174.900 -0.228 0.000 1.168 215 G CA -0.435 44.595 45.100 -0.117 0.000 1.240 215 G HN -0.497 7.820 8.290 0.044 0.000 0.551 216 H N 2.655 121.694 119.070 -0.052 0.000 3.230 216 H HA 0.126 4.657 4.556 -0.042 0.000 0.259 216 H C -0.161 175.148 175.328 -0.032 0.000 1.195 216 H CA -1.290 54.738 56.048 -0.034 0.000 1.112 216 H CB 1.723 31.482 29.762 -0.005 0.000 1.638 216 H HN 0.607 8.821 8.280 0.073 0.111 0.624 217 M N 0.711 120.315 119.600 0.006 0.000 2.206 217 M HA -0.264 4.253 4.480 0.062 0.000 0.288 217 M C 1.303 177.556 176.300 -0.079 0.000 1.126 217 M CA 1.236 56.503 55.300 -0.054 0.000 1.152 217 M CB 1.223 33.682 32.600 -0.235 0.000 1.383 217 M HN -0.628 7.643 8.290 -0.031 0.000 0.437 218 F N -1.424 118.535 119.950 0.016 0.000 2.161 218 F HA -0.221 4.315 4.527 0.016 0.000 0.300 218 F C 1.033 176.831 175.800 -0.003 0.000 1.089 218 F CA 3.010 61.015 58.000 0.009 0.000 1.282 218 F CB -1.016 37.987 39.000 0.004 0.000 1.010 218 F HN 0.127 8.549 8.300 0.204 0.000 0.485 219 L N -0.712 119.991 121.223 -0.867 0.000 2.253 219 L HA -0.052 4.183 4.340 -0.175 0.000 0.205 219 L C 1.393 178.081 176.870 -0.303 0.000 1.078 219 L CA 1.580 56.126 54.840 -0.489 0.000 0.805 219 L CB -0.727 40.941 42.059 -0.652 0.000 0.963 219 L HN -0.405 6.731 8.230 -1.806 0.010 0.459 220 L N -2.209 118.811 121.223 -0.338 0.000 2.081 220 L HA -0.404 3.817 4.340 -0.198 0.000 0.212 220 L C 2.260 179.031 176.870 -0.166 0.000 1.080 220 L CA 3.078 57.788 54.840 -0.217 0.000 0.754 220 L CB -0.840 41.102 42.059 -0.196 0.000 0.893 220 L HN -0.033 7.912 8.230 -0.475 0.000 0.433 221 S N -4.635 110.982 115.700 -0.138 0.000 2.387 221 S HA -0.330 4.055 4.470 -0.141 0.000 0.226 221 S C 1.263 175.818 174.600 -0.074 0.000 1.026 221 S CA 2.062 60.200 58.200 -0.102 0.000 0.972 221 S CB 0.288 63.461 63.200 -0.043 0.000 0.814 221 S HN -0.602 7.614 8.310 -0.137 0.012 0.477 222 Q N 1.194 120.957 119.800 -0.062 0.000 2.030 222 Q HA -0.193 4.134 4.340 -0.022 0.000 0.204 222 Q C 0.998 176.968 176.000 -0.050 0.000 0.986 222 Q CA 2.175 57.955 55.803 -0.038 0.000 0.843 222 Q CB 0.680 29.406 28.738 -0.020 0.000 0.904 222 Q HN -0.330 7.804 8.270 -0.074 0.091 0.420 223 T N -1.656 112.856 114.554 -0.070 0.000 3.005 223 T HA 0.231 4.551 4.350 -0.050 0.000 0.323 223 T C 0.055 174.710 174.700 -0.075 0.000 1.131 223 T CA -0.897 61.164 62.100 -0.065 0.000 0.977 223 T CB 0.094 68.922 68.868 -0.067 0.000 1.055 223 T HN -0.379 7.807 8.240 -0.091 0.000 0.562 224 E N 5.239 125.399 120.200 -0.066 0.000 2.204 224 E HA -0.361 3.931 4.350 -0.095 0.000 0.194 224 E C 1.244 177.807 176.600 -0.061 0.000 0.989 224 E CA 2.886 59.242 56.400 -0.074 0.000 0.824 224 E CB -0.333 29.328 29.700 -0.065 0.000 0.756 224 E HN 0.059 8.385 8.360 -0.056 0.000 0.477 225 E N 0.372 120.544 120.200 -0.048 0.000 2.038 225 E HA -0.330 4.002 4.350 -0.029 0.000 0.195 225 E C 1.664 178.243 176.600 -0.036 0.000 1.000 225 E CA 3.027 59.406 56.400 -0.035 0.000 0.803 225 E CB -0.485 29.198 29.700 -0.029 0.000 0.750 225 E HN 0.273 8.575 8.360 -0.046 0.030 0.448 226 V N -0.630 119.255 119.914 -0.047 0.000 2.332 226 V HA -0.385 3.712 4.120 -0.040 0.000 0.248 226 V C 1.714 177.778 176.094 -0.049 0.000 1.055 226 V CA 3.001 65.271 62.300 -0.050 0.000 1.038 226 V CB -0.921 30.861 31.823 -0.068 0.000 0.651 226 V HN -0.630 7.528 8.190 -0.053 0.000 0.450 227 A N 0.755 123.534 122.820 -0.067 0.000 1.834 227 A HA -0.385 3.891 4.320 -0.073 0.000 0.216 227 A C 1.801 179.372 177.584 -0.022 0.000 1.203 227 A CA 3.392 55.386 52.037 -0.073 0.000 0.621 227 A CB -0.804 18.120 19.000 -0.127 0.000 0.841 227 A HN -0.652 7.443 8.150 -0.077 0.009 0.446 228 E N -1.629 118.553 120.200 -0.031 0.000 2.160 228 E HA -0.396 3.968 4.350 0.023 0.000 0.195 228 E C 2.596 179.243 176.600 0.078 0.000 0.991 228 E CA 3.058 59.469 56.400 0.018 0.000 0.810 228 E CB -0.084 29.610 29.700 -0.011 0.000 0.742 228 E HN -0.410 7.915 8.360 -0.057 0.000 0.466 229 R N -1.443 119.078 120.500 0.034 0.000 2.070 229 R HA -0.255 4.107 4.340 0.037 0.000 0.233 229 R C 2.608 178.933 176.300 0.042 0.000 1.137 229 R CA 2.634 58.753 56.100 0.030 0.000 0.945 229 R CB -0.404 29.896 30.300 -0.000 0.000 0.845 229 R HN -0.193 7.975 8.270 0.005 0.105 0.430 230 I N -0.658 119.931 120.570 0.032 0.000 2.179 230 I HA -0.512 3.649 4.170 -0.015 0.000 0.242 230 I C 1.973 178.125 176.117 0.059 0.000 1.088 230 I CA 3.978 65.287 61.300 0.015 0.000 1.357 230 I CB -0.246 37.743 38.000 -0.017 0.000 1.051 230 I HN -0.159 8.061 8.210 0.017 0.000 0.409 231 F N 0.564 120.492 119.950 -0.037 0.000 2.065 231 F HA -0.505 4.018 4.527 -0.007 0.000 0.298 231 F C 1.137 176.972 175.800 0.059 0.000 1.112 231 F CA 4.113 62.118 58.000 0.009 0.000 1.212 231 F CB -0.061 38.953 39.000 0.022 0.000 0.975 231 F HN -0.340 8.103 8.300 0.237 0.000 0.476 232 A N -0.568 122.373 122.820 0.201 0.000 1.834 232 A HA -0.394 4.005 4.320 0.132 0.000 0.216 232 A C 1.792 179.397 177.584 0.035 0.000 1.203 232 A CA 3.054 55.158 52.037 0.112 0.000 0.621 232 A CB -0.787 18.277 19.000 0.106 0.000 0.841 232 A HN -0.253 8.046 8.150 0.249 0.000 0.446 233 I N -1.743 118.843 120.570 0.027 0.000 2.399 233 I HA -0.463 3.719 4.170 0.019 0.000 0.254 233 I C 1.786 177.908 176.117 0.009 0.000 1.146 233 I CA 2.329 63.636 61.300 0.012 0.000 1.412 233 I CB 0.018 38.017 38.000 -0.003 0.000 1.076 233 I HN -0.630 7.603 8.210 0.038 0.000 0.432 234 L N -1.816 119.389 121.223 -0.030 0.000 2.056 234 L HA -0.445 3.867 4.340 -0.048 0.000 0.207 234 L C 2.288 179.167 176.870 0.015 0.000 1.078 234 L CA 3.079 57.887 54.840 -0.053 0.000 0.749 234 L CB -0.557 41.417 42.059 -0.142 0.000 0.901 234 L HN 0.285 8.366 8.230 -0.035 0.127 0.433 235 N N -2.418 116.260 118.700 -0.037 0.000 2.459 235 N HA -0.112 4.658 4.740 0.050 0.000 0.181 235 N C 1.417 176.936 175.510 0.016 0.000 1.046 235 N CA 1.677 54.724 53.050 -0.004 0.000 0.904 235 N CB -0.290 38.165 38.487 -0.053 0.000 0.964 235 N HN -0.176 8.061 8.380 -0.091 0.088 0.444 236 Q N -3.888 115.927 119.800 0.024 0.000 2.282 236 Q HA 0.201 4.717 4.340 -0.019 -0.187 0.206 236 Q C 0.587 176.599 176.000 0.020 0.000 0.878 236 Q CA -0.433 55.374 55.803 0.007 0.000 0.944 236 Q CB 0.530 29.272 28.738 0.007 0.000 1.100 236 Q HN -0.587 7.530 8.270 0.026 0.168 0.509 237 H N 2.773 121.828 119.070 -0.024 0.000 2.265 237 H HA -0.263 4.271 4.556 -0.038 0.000 0.295 237 H C -0.370 174.942 175.328 -0.027 0.000 1.084 237 H CA 4.101 60.130 56.048 -0.033 0.000 1.261 237 H CB -1.463 28.262 29.762 -0.062 0.000 1.360 237 H HN -0.397 7.784 8.280 0.149 0.188 0.487 238 P HA -0.111 3.844 4.420 -0.775 0.000 0.217 238 P C -0.801 176.332 177.300 -0.279 0.000 1.151 238 P CA 1.053 63.821 63.100 -0.554 0.000 0.828 238 P CB 0.372 31.843 31.700 -0.382 0.000 0.788 239 I N -5.898 114.564 120.570 -0.181 0.000 2.503 239 I HA 0.305 4.398 4.170 -0.129 0.000 0.282 239 I C -1.673 174.395 176.117 -0.081 0.000 1.059 239 I CA -2.098 59.125 61.300 -0.129 0.000 1.081 239 I CB 1.701 39.619 38.000 -0.137 0.000 1.210 239 I HN -0.718 7.400 8.210 -0.154 0.000 0.450 240 I N 0.345 120.878 120.570 -0.062 0.000 2.696 240 I HA 0.072 4.300 4.170 -0.025 -0.073 0.284 240 I C -0.331 175.766 176.117 -0.034 0.000 1.129 240 I CA 0.127 61.406 61.300 -0.034 0.000 1.410 240 I CB 0.718 38.705 38.000 -0.021 0.000 1.399 240 I HN 0.191 8.360 8.210 -0.068 0.000 0.579 241 Q N 4.766 124.554 119.800 -0.021 0.000 2.256 241 Q HA 0.419 4.742 4.340 -0.028 0.000 0.232 241 Q C -1.936 174.054 176.000 -0.016 0.000 0.965 241 Q CA -1.341 54.450 55.803 -0.020 0.000 0.908 241 Q CB 0.067 28.799 28.738 -0.010 0.000 1.209 241 Q HN 0.540 8.802 8.270 -0.014 0.000 0.489 242 P HA 0.000 4.411 4.420 -0.015 0.000 0.216 242 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 242 P CB 0.000 31.691 31.700 -0.015 0.000 0.726