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 2iue_1_A DATA FIRST_RESID 1 DATA SEQUENCE DNSVDLYFLM GLSGSAQGHL SNVQTLGSDL LKALNEISRS GRIGFGSIVN DATA SEQUENCE MTFQHILKLT ADSSQFQREL RKQLVSGKLA TPKGQLDAVV QVAICLGEIG DATA SEQUENCE WRNGTRFLVL VTDNDFHLAK DKTLGTRQNT SDGRCHLDDG MYRSRGEPDY DATA SEQUENCE QSVVQLASKL AENNIQPIFV VPSRMVKTYE KLTTFIPKLT IGELSDDSSN DATA SEQUENCE VAQLIRNAYS KL 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 D HA 0.000 4.795 4.640 0.258 0.000 0.175 1 D C 0.000 176.382 176.300 0.137 0.000 2.045 1 D CA 0.000 54.118 54.000 0.197 0.000 0.868 1 D CB 0.000 40.863 40.800 0.106 0.000 0.688 2 N N 0.184 118.912 118.700 0.047 0.000 2.444 2 N HA 0.041 4.794 4.740 0.022 0.000 0.255 2 N C -0.627 174.913 175.510 0.050 0.000 1.255 2 N CA 0.092 53.144 53.050 0.003 0.000 0.933 2 N CB 1.293 39.734 38.487 -0.077 0.000 1.143 2 N HN -0.060 8.301 8.380 -0.033 0.000 0.453 3 S N 0.345 116.074 115.700 0.049 0.000 2.537 3 S HA -0.080 4.642 4.470 0.105 -0.190 0.286 3 S C -0.551 174.108 174.600 0.099 0.000 1.299 3 S CA 1.121 59.369 58.200 0.080 0.000 1.067 3 S CB 0.425 63.662 63.200 0.062 0.000 0.864 3 S HN 0.137 8.464 8.310 0.030 0.000 0.494 4 V N 5.761 125.774 119.914 0.165 0.000 2.735 4 V HA 0.293 4.645 4.120 0.199 -0.113 0.310 4 V C -1.887 174.351 176.094 0.240 0.000 1.061 4 V CA -1.035 61.405 62.300 0.234 0.000 0.913 4 V CB 3.751 35.787 31.823 0.355 0.000 1.005 4 V HN 0.897 9.078 8.190 0.168 0.110 0.428 5 D N 6.652 127.230 120.400 0.298 0.000 2.440 5 D HA 0.570 5.549 4.640 0.273 -0.175 0.239 5 D C -1.349 175.251 176.300 0.501 0.000 1.084 5 D CA -0.419 53.802 54.000 0.370 0.000 0.843 5 D CB 2.229 43.326 40.800 0.494 0.000 1.097 5 D HN 0.737 9.271 8.370 0.274 0.000 0.531 6 L N 2.579 124.025 121.223 0.371 0.000 2.296 6 L HA 0.411 5.220 4.340 0.552 -0.137 0.286 6 L C -1.654 175.420 176.870 0.340 0.000 1.023 6 L CA -1.268 53.806 54.840 0.391 0.000 0.812 6 L CB 0.393 42.588 42.059 0.227 0.000 1.223 6 L HN 1.034 9.410 8.230 0.243 0.000 0.421 7 Y N 5.504 125.990 120.300 0.310 0.000 2.402 7 Y HA 0.204 5.001 4.550 0.159 -0.151 0.332 7 Y C -2.023 174.071 175.900 0.324 0.000 0.960 7 Y CA -2.225 55.993 58.100 0.197 0.000 1.228 7 Y CB 2.314 40.734 38.460 -0.067 0.000 1.120 7 Y HN 0.960 9.495 8.280 0.627 0.122 0.491 8 F N 9.572 129.420 119.950 -0.169 0.000 2.464 8 F HA 0.178 4.900 4.527 0.143 -0.109 0.353 8 F C -2.189 173.615 175.800 0.008 0.000 1.191 8 F CA -1.139 56.896 58.000 0.058 0.000 1.147 8 F CB 0.174 39.356 39.000 0.302 0.000 1.294 8 F HN 0.366 8.689 8.300 0.037 0.000 0.583 9 L N 8.004 129.077 121.223 -0.250 0.000 2.276 9 L HA 0.444 4.944 4.340 -0.053 -0.192 0.286 9 L C -1.225 175.440 176.870 -0.342 0.000 1.061 9 L CA -0.874 53.881 54.840 -0.141 0.000 0.807 9 L CB 1.246 43.325 42.059 0.033 0.000 1.177 9 L HN 0.921 9.041 8.230 -0.184 0.000 0.429 10 M N 1.342 120.855 119.600 -0.145 0.000 2.593 10 M HA 0.764 5.360 4.480 -0.123 -0.190 0.290 10 M C -1.150 175.184 176.300 0.058 0.000 1.244 10 M CA -2.716 52.544 55.300 -0.068 0.000 0.857 10 M CB 3.474 36.060 32.600 -0.023 0.000 1.738 10 M HN 0.674 8.942 8.290 -0.038 0.000 0.461 11 G N -0.610 108.226 108.800 0.060 0.000 2.370 11 G HA2 0.257 4.253 3.960 0.061 0.000 0.272 11 G HA3 0.257 4.483 3.960 0.088 -0.213 0.272 11 G C -0.865 174.091 174.900 0.093 0.000 1.208 11 G CA -0.211 44.936 45.100 0.077 0.000 0.856 11 G HN -0.233 8.078 8.290 0.035 0.000 0.500 12 L N 3.878 125.158 121.223 0.095 0.000 2.928 12 L HA 0.361 4.757 4.340 0.093 0.000 0.246 12 L C -0.421 176.492 176.870 0.072 0.000 1.239 12 L CA -1.195 53.698 54.840 0.089 0.000 1.035 12 L CB -0.127 41.988 42.059 0.092 0.000 1.360 12 L HN 0.694 8.877 8.230 0.100 0.106 0.529 13 S N -0.819 114.918 115.700 0.062 0.000 2.593 13 S HA 0.038 4.541 4.470 0.056 0.000 0.269 13 S C 1.836 176.457 174.600 0.034 0.000 1.334 13 S CA -0.945 57.284 58.200 0.048 0.000 1.015 13 S CB 1.398 64.620 63.200 0.036 0.000 0.912 13 S HN -0.618 7.655 8.310 0.061 0.073 0.541 14 G N 1.679 110.496 108.800 0.029 0.000 2.432 14 G HA2 -0.278 3.694 3.960 0.020 0.000 0.219 14 G HA3 -0.278 3.725 3.960 0.027 -0.027 0.219 14 G C 1.091 175.995 174.900 0.006 0.000 1.135 14 G CA 1.722 46.835 45.100 0.021 0.000 0.767 14 G HN 0.629 8.938 8.290 0.033 0.000 0.550 15 S N 1.036 116.728 115.700 -0.013 0.000 2.423 15 S HA -0.306 4.131 4.470 -0.054 0.000 0.231 15 S C 0.570 175.111 174.600 -0.099 0.000 1.014 15 S CA 2.023 60.188 58.200 -0.059 0.000 0.965 15 S CB -0.361 62.795 63.200 -0.073 0.000 0.785 15 S HN 0.032 8.335 8.310 -0.005 0.004 0.495 16 A N -1.122 121.674 122.820 -0.040 0.000 2.209 16 A HA -0.067 4.231 4.320 -0.036 0.000 0.212 16 A C -1.235 176.390 177.584 0.070 0.000 1.158 16 A CA 0.079 52.121 52.037 0.008 0.000 0.742 16 A CB 0.170 19.198 19.000 0.047 0.000 0.790 16 A HN -0.689 7.303 8.150 -0.011 0.151 0.472 17 Q N -0.894 118.937 119.800 0.051 0.000 2.337 17 Q HA -0.140 4.244 4.340 0.073 0.000 0.270 17 Q C 1.619 177.679 176.000 0.100 0.000 1.002 17 Q CA 1.113 56.956 55.803 0.067 0.000 0.888 17 Q CB 0.126 28.891 28.738 0.045 0.000 1.222 17 Q HN -0.651 7.458 8.270 0.025 0.176 0.400 18 G N 6.752 115.617 108.800 0.108 0.000 2.498 18 G HA2 -0.332 3.719 3.960 0.152 0.000 0.229 18 G HA3 -0.332 3.676 3.960 0.080 0.000 0.229 18 G C 0.370 175.370 174.900 0.167 0.000 1.156 18 G CA 0.994 46.171 45.100 0.128 0.000 0.680 18 G HN 0.463 8.803 8.290 0.082 0.000 0.512 19 H N 2.751 121.837 119.070 0.027 0.000 2.548 19 H HA -0.088 4.486 4.556 0.030 0.000 0.268 19 H C 0.989 176.342 175.328 0.042 0.000 0.975 19 H CA 0.626 56.694 56.048 0.033 0.000 1.195 19 H CB 0.420 30.202 29.762 0.033 0.000 1.397 19 H HN -0.676 7.710 8.280 0.344 0.100 0.572 20 L N 0.534 121.844 121.223 0.146 0.000 1.989 20 L HA -0.330 4.081 4.340 0.119 0.000 0.211 20 L C 0.734 177.643 176.870 0.065 0.000 1.071 20 L CA 3.473 58.373 54.840 0.100 0.000 0.749 20 L CB -0.261 41.843 42.059 0.075 0.000 0.890 20 L HN -0.282 8.077 8.230 0.152 -0.038 0.431 21 S N -2.605 113.118 115.700 0.039 0.000 2.372 21 S HA -0.470 4.001 4.470 0.002 0.000 0.227 21 S C 2.170 176.774 174.600 0.007 0.000 1.044 21 S CA 3.047 61.253 58.200 0.011 0.000 1.050 21 S CB -0.671 62.528 63.200 -0.001 0.000 0.901 21 S HN 0.103 8.439 8.310 0.043 0.000 0.447 22 N N 2.318 121.021 118.700 0.004 0.000 2.166 22 N HA -0.209 4.522 4.740 -0.015 0.000 0.186 22 N C 2.031 177.577 175.510 0.060 0.000 1.019 22 N CA 2.400 55.448 53.050 -0.003 0.000 0.856 22 N CB -0.456 37.987 38.487 -0.074 0.000 0.993 22 N HN -0.169 8.211 8.380 -0.001 0.000 0.426 23 V N -1.675 118.305 119.914 0.111 0.000 3.623 23 V HA -0.076 4.202 4.120 0.264 0.000 0.271 23 V C -0.576 175.610 176.094 0.153 0.000 1.248 23 V CA -0.165 62.260 62.300 0.208 0.000 1.156 23 V CB -0.062 31.911 31.823 0.251 0.000 0.870 23 V HN -0.108 8.051 8.190 0.101 0.091 0.453 24 Q N -1.255 118.570 119.800 0.042 0.000 2.178 24 Q HA -0.062 4.226 4.340 -0.087 0.000 0.195 24 Q C 2.148 178.105 176.000 -0.071 0.000 0.960 24 Q CA 1.807 57.583 55.803 -0.044 0.000 0.843 24 Q CB -0.132 28.575 28.738 -0.052 0.000 0.927 24 Q HN -0.410 7.686 8.270 0.039 0.198 0.487 25 T N 2.967 117.497 114.554 -0.041 0.000 2.684 25 T HA -0.246 4.070 4.350 -0.057 0.000 0.267 25 T C 0.165 174.829 174.700 -0.060 0.000 1.036 25 T CA 4.099 66.171 62.100 -0.047 0.000 1.148 25 T CB 0.108 68.957 68.868 -0.032 0.000 0.863 25 T HN 0.023 8.251 8.240 -0.020 0.000 0.436 26 L N 0.166 121.371 121.223 -0.031 0.000 2.415 26 L HA -0.015 4.469 4.340 -0.061 -0.181 0.269 26 L C -0.967 175.772 176.870 -0.219 0.000 1.244 26 L CA 0.079 54.900 54.840 -0.032 0.000 1.113 26 L CB -1.424 40.696 42.059 0.102 0.000 1.352 26 L HN -0.664 7.569 8.230 0.004 0.000 0.433 27 G N 4.141 112.735 108.800 -0.345 0.000 4.040 27 G HA2 -0.118 3.422 3.960 -0.700 0.000 0.192 27 G HA3 -0.118 3.293 3.960 -0.916 0.000 0.192 27 G C 0.176 174.990 174.900 -0.144 0.000 0.963 27 G CA 1.412 46.175 45.100 -0.563 0.000 0.886 27 G HN 0.341 8.416 8.290 -0.190 0.101 0.333 28 S N 3.332 118.987 115.700 -0.075 0.000 2.371 28 S HA -0.245 4.251 4.470 0.044 0.000 0.224 28 S C 1.094 175.649 174.600 -0.076 0.000 1.029 28 S CA 3.353 61.535 58.200 -0.030 0.000 0.978 28 S CB 0.399 63.574 63.200 -0.042 0.000 0.833 28 S HN -0.344 7.893 8.310 -0.120 0.000 0.466 29 D N 1.316 121.663 120.400 -0.087 0.000 2.277 29 D HA -0.194 4.402 4.640 -0.075 0.000 0.208 29 D C 1.743 177.981 176.300 -0.103 0.000 0.962 29 D CA 2.130 56.081 54.000 -0.083 0.000 0.865 29 D CB -0.639 40.122 40.800 -0.064 0.000 0.939 29 D HN 0.085 8.402 8.370 -0.088 0.000 0.510 30 L N 0.438 121.578 121.223 -0.137 0.000 1.973 30 L HA -0.247 4.025 4.340 -0.113 0.000 0.208 30 L C 1.173 177.939 176.870 -0.174 0.000 1.073 30 L CA 2.902 57.652 54.840 -0.150 0.000 0.746 30 L CB 0.023 41.977 42.059 -0.176 0.000 0.891 30 L HN -0.776 7.241 8.230 -0.158 0.119 0.433 31 L N -1.741 119.337 121.223 -0.242 0.000 1.978 31 L HA -0.587 3.585 4.340 -0.280 0.000 0.218 31 L C 1.717 178.492 176.870 -0.158 0.000 1.075 31 L CA 3.570 58.253 54.840 -0.261 0.000 0.767 31 L CB -0.223 41.618 42.059 -0.364 0.000 0.890 31 L HN -0.057 7.897 8.230 -0.282 0.106 0.434 32 K N -2.538 117.790 120.400 -0.119 0.000 2.228 32 K HA -0.297 3.972 4.320 -0.084 0.000 0.202 32 K C 2.213 178.759 176.600 -0.090 0.000 1.051 32 K CA 2.585 58.819 56.287 -0.088 0.000 0.960 32 K CB -0.044 32.417 32.500 -0.066 0.000 0.743 32 K HN -0.331 7.850 8.250 -0.115 0.000 0.458 33 A N -0.275 122.486 122.820 -0.099 0.000 1.902 33 A HA -0.210 4.053 4.320 -0.096 0.000 0.217 33 A C 2.186 179.690 177.584 -0.133 0.000 1.181 33 A CA 2.874 54.848 52.037 -0.106 0.000 0.623 33 A CB -0.706 18.233 19.000 -0.101 0.000 0.818 33 A HN -0.630 7.458 8.150 -0.103 0.000 0.443 34 L N -3.287 117.854 121.223 -0.136 0.000 2.156 34 L HA -0.441 3.771 4.340 -0.213 0.000 0.208 34 L C 2.154 178.952 176.870 -0.121 0.000 1.095 34 L CA 2.774 57.524 54.840 -0.149 0.000 0.770 34 L CB -0.686 41.308 42.059 -0.108 0.000 0.914 34 L HN 0.070 8.222 8.230 -0.130 0.000 0.439 35 N N -2.206 116.437 118.700 -0.095 0.000 2.364 35 N HA -0.290 4.565 4.740 -0.047 -0.143 0.183 35 N C 1.002 176.472 175.510 -0.067 0.000 1.022 35 N CA 2.504 55.514 53.050 -0.067 0.000 0.883 35 N CB 0.074 38.525 38.487 -0.060 0.000 0.965 35 N HN -0.020 8.298 8.380 -0.102 0.000 0.438 36 E N -0.583 119.563 120.200 -0.089 0.000 2.060 36 E HA -0.171 4.143 4.350 -0.061 0.000 0.189 36 E C 1.031 177.567 176.600 -0.108 0.000 0.974 36 E CA 1.933 58.283 56.400 -0.084 0.000 0.808 36 E CB 0.206 29.856 29.700 -0.083 0.000 0.768 36 E HN -0.819 7.317 8.360 -0.104 0.162 0.453 37 I N -1.547 118.913 120.570 -0.183 0.000 2.546 37 I HA -0.092 3.961 4.170 -0.196 0.000 0.255 37 I C -0.531 175.443 176.117 -0.238 0.000 1.163 37 I CA 1.080 62.208 61.300 -0.287 0.000 1.457 37 I CB 0.798 38.492 38.000 -0.510 0.000 1.092 37 I HN -0.740 7.353 8.210 -0.195 0.000 0.434 38 S N -3.222 112.396 115.700 -0.136 0.000 2.532 38 S HA 0.315 4.859 4.470 0.124 0.000 0.299 38 S C -0.107 174.514 174.600 0.036 0.000 1.105 38 S CA -1.935 56.290 58.200 0.041 0.000 1.018 38 S CB 1.499 64.799 63.200 0.165 0.000 1.021 38 S HN -0.095 8.022 8.310 -0.151 0.102 0.483 39 R N 6.720 127.253 120.500 0.056 0.000 2.189 39 R HA -0.084 4.269 4.340 0.022 0.000 0.223 39 R C 0.458 176.787 176.300 0.048 0.000 1.092 39 R CA 1.590 57.714 56.100 0.041 0.000 0.989 39 R CB 0.238 30.562 30.300 0.040 0.000 0.876 39 R HN 0.306 8.624 8.270 0.080 0.000 0.457 40 S N 0.879 116.624 115.700 0.074 0.000 2.399 40 S HA 0.165 4.670 4.470 0.059 0.000 0.215 40 S C -1.804 172.858 174.600 0.102 0.000 1.456 40 S CA -0.767 57.479 58.200 0.076 0.000 1.199 40 S CB 0.392 63.636 63.200 0.073 0.000 1.063 40 S HN -0.583 7.743 8.310 0.100 0.044 0.476 41 G N 3.308 112.154 108.800 0.078 0.000 3.764 41 G HA2 0.336 4.326 3.960 0.050 0.000 0.333 41 G HA3 0.336 4.531 3.960 0.131 -0.156 0.333 41 G C -1.157 173.770 174.900 0.046 0.000 1.551 41 G CA -0.509 44.639 45.100 0.080 0.000 0.995 41 G HN 0.311 8.633 8.290 0.052 0.000 0.485 42 R N 3.905 124.453 120.500 0.080 0.000 2.347 42 R HA 0.243 4.779 4.340 0.040 -0.173 0.304 42 R C -1.579 174.749 176.300 0.046 0.000 1.072 42 R CA -1.559 54.580 56.100 0.065 0.000 0.980 42 R CB 0.643 31.002 30.300 0.098 0.000 0.986 42 R HN 0.475 8.818 8.270 0.121 0.000 0.448 43 I N 3.765 124.322 120.570 -0.020 0.000 2.465 43 I HA 0.856 5.243 4.170 -0.038 -0.241 0.291 43 I C -0.813 175.317 176.117 0.022 0.000 1.014 43 I CA -1.573 59.660 61.300 -0.111 0.000 1.093 43 I CB 4.114 41.848 38.000 -0.444 0.000 1.267 43 I HN 0.801 8.900 8.210 -0.017 0.100 0.431 44 G N 5.433 114.296 108.800 0.104 0.000 2.537 44 G HA2 0.787 4.957 3.960 0.350 0.000 0.308 44 G HA3 0.787 5.032 3.960 0.326 -0.090 0.308 44 G C -3.207 171.730 174.900 0.062 0.000 1.237 44 G CA -1.844 43.394 45.100 0.230 0.000 0.968 44 G HN 0.471 8.795 8.290 0.056 0.000 0.481 45 F N 0.826 120.727 119.950 -0.081 0.000 2.574 45 F HA 0.842 5.470 4.527 -0.140 -0.184 0.313 45 F C -2.197 173.625 175.800 0.037 0.000 1.130 45 F CA -2.653 55.303 58.000 -0.073 0.000 0.936 45 F CB 4.278 43.331 39.000 0.087 0.000 1.219 45 F HN 0.713 9.111 8.300 0.340 0.106 0.445 46 G N 4.031 112.366 108.800 -0.775 0.000 2.667 46 G HA2 0.557 4.814 3.960 0.494 0.000 0.298 46 G HA3 0.557 4.488 3.960 -0.252 -0.122 0.298 46 G C -2.804 171.878 174.900 -0.363 0.000 1.377 46 G CA -0.617 44.337 45.100 -0.244 0.000 0.964 46 G HN 0.704 8.622 8.290 -0.621 0.000 0.493 47 S N 2.456 118.031 115.700 -0.208 0.000 2.501 47 S HA 1.030 5.663 4.470 -0.010 -0.170 0.301 47 S C -1.739 172.950 174.600 0.148 0.000 1.096 47 S CA -0.983 57.187 58.200 -0.051 0.000 1.063 47 S CB 2.938 66.086 63.200 -0.087 0.000 1.042 47 S HN 0.781 8.963 8.310 -0.214 0.000 0.494 48 I N 2.893 123.562 120.570 0.166 0.000 3.004 48 I HA 0.718 5.209 4.170 0.228 -0.184 0.305 48 I C -2.671 173.540 176.117 0.157 0.000 1.312 48 I CA -2.170 59.258 61.300 0.213 0.000 0.992 48 I CB 4.601 42.763 38.000 0.269 0.000 1.282 48 I HN 0.426 8.712 8.210 0.127 0.000 0.449 49 V N 3.989 124.002 119.914 0.165 0.000 4.290 49 V HA 0.279 4.479 4.120 0.134 0.000 0.159 49 V C -1.662 174.540 176.094 0.181 0.000 1.350 49 V CA 1.234 63.621 62.300 0.145 0.000 1.154 49 V CB 2.113 34.002 31.823 0.110 0.000 1.236 49 V HN -0.006 8.299 8.190 0.191 0.000 0.608 50 N N -2.336 116.475 118.700 0.184 0.000 2.179 50 N HA -0.065 4.835 4.740 0.266 0.000 0.315 50 N C 0.683 176.286 175.510 0.155 0.000 1.141 50 N CA 1.517 54.697 53.050 0.216 0.000 0.892 50 N CB 0.075 38.715 38.487 0.255 0.000 1.942 50 N HN 0.043 8.517 8.380 0.157 0.000 0.827 51 M N -0.870 118.800 119.600 0.116 0.000 2.106 51 M HA -0.168 4.349 4.480 0.061 0.000 0.259 51 M C 0.350 176.698 176.300 0.080 0.000 1.068 51 M CA 2.462 57.809 55.300 0.078 0.000 1.100 51 M CB 0.066 32.703 32.600 0.061 0.000 1.351 51 M HN -0.020 8.339 8.290 0.114 0.000 0.404 52 T N -6.904 107.727 114.554 0.128 0.000 2.603 52 T HA -0.097 4.398 4.350 0.242 0.000 0.266 52 T C -1.981 172.878 174.700 0.265 0.000 2.013 52 T CA -0.452 61.765 62.100 0.195 0.000 0.958 52 T CB 0.248 69.199 68.868 0.138 0.000 2.187 52 T HN -0.811 7.513 8.240 0.137 -0.002 0.443 53 F N 2.789 122.859 119.950 0.199 0.000 2.420 53 F HA 0.445 5.190 4.527 0.103 -0.156 0.352 53 F C -1.932 173.942 175.800 0.123 0.000 1.108 53 F CA -1.640 56.445 58.000 0.143 0.000 1.162 53 F CB 1.155 40.228 39.000 0.121 0.000 1.118 53 F HN 0.331 8.949 8.300 0.529 0.000 0.510 54 Q N 9.798 129.295 119.800 -0.505 0.000 2.357 54 Q HA 0.437 4.668 4.340 -0.519 -0.202 0.266 54 Q C -1.525 174.013 176.000 -0.770 0.000 1.021 54 Q CA -2.246 53.222 55.803 -0.558 0.000 0.784 54 Q CB 2.137 30.739 28.738 -0.226 0.000 1.243 54 Q HN 1.039 9.081 8.270 -0.203 0.107 0.465 55 H N 9.038 127.514 119.070 -0.991 0.000 2.899 55 H HA 0.062 4.441 4.556 -0.296 0.000 0.303 55 H C -1.015 174.170 175.328 -0.240 0.000 1.042 55 H CA 0.470 56.234 56.048 -0.473 0.000 1.479 55 H CB 0.581 30.184 29.762 -0.264 0.000 1.493 55 H HN 0.444 8.280 8.280 -0.740 0.000 0.534 56 I N 6.542 126.935 120.570 -0.295 0.000 2.899 56 I HA -0.004 4.024 4.170 -0.238 0.000 0.257 56 I C -0.506 175.462 176.117 -0.247 0.000 1.115 56 I CA 1.391 62.537 61.300 -0.257 0.000 1.451 56 I CB 1.612 39.507 38.000 -0.175 0.000 1.251 56 I HN -0.016 8.131 8.210 -0.106 0.000 0.456 57 L N -0.070 121.090 121.223 -0.106 0.000 2.406 57 L HA 0.348 4.652 4.340 -0.061 0.000 0.272 57 L C -1.986 175.000 176.870 0.193 0.000 0.980 57 L CA -1.524 53.339 54.840 0.038 0.000 0.831 57 L CB 3.172 45.373 42.059 0.237 0.000 1.253 57 L HN -0.387 7.845 8.230 0.003 0.000 0.406 58 K N 6.309 126.788 120.400 0.132 0.000 2.469 58 K HA -0.219 4.484 4.320 0.480 -0.095 0.274 58 K C -0.335 176.391 176.600 0.210 0.000 0.983 58 K CA 0.607 57.057 56.287 0.272 0.000 0.974 58 K CB 0.512 33.109 32.500 0.161 0.000 0.913 58 K HN 0.294 8.535 8.250 -0.014 0.000 0.493 59 L N 4.908 126.224 121.223 0.155 0.000 2.780 59 L HA -0.246 4.294 4.340 0.122 -0.127 0.275 59 L C -0.635 176.289 176.870 0.089 0.000 1.153 59 L CA 1.355 56.254 54.840 0.099 0.000 0.993 59 L CB -1.457 40.615 42.059 0.023 0.000 1.319 59 L HN 0.322 8.619 8.230 0.111 0.000 0.479 60 T N 3.349 117.954 114.554 0.086 0.000 2.916 60 T HA 0.329 4.717 4.350 0.064 0.000 0.292 60 T C -1.157 173.570 174.700 0.044 0.000 1.064 60 T CA -2.146 59.995 62.100 0.069 0.000 1.011 60 T CB 3.247 72.165 68.868 0.083 0.000 1.152 60 T HN 0.386 8.572 8.240 0.095 0.111 0.510 61 A N 4.118 126.961 122.820 0.038 0.000 2.308 61 A HA 0.284 4.612 4.320 0.015 0.000 0.217 61 A C -0.772 176.822 177.584 0.017 0.000 1.216 61 A CA -0.325 51.726 52.037 0.024 0.000 0.864 61 A CB 0.520 19.537 19.000 0.028 0.000 0.902 61 A HN 0.540 8.715 8.150 0.043 0.000 0.499 62 D N 0.688 121.106 120.400 0.030 0.000 2.411 62 D HA 0.191 4.844 4.640 0.022 0.000 0.225 62 D C -0.384 175.943 176.300 0.044 0.000 1.156 62 D CA -0.060 53.960 54.000 0.033 0.000 0.874 62 D CB -0.109 40.714 40.800 0.038 0.000 1.034 62 D HN -0.762 7.567 8.370 0.042 0.066 0.502 63 S N 6.117 121.830 115.700 0.022 0.000 2.345 63 S HA -0.312 4.152 4.470 -0.010 0.000 0.220 63 S C 1.222 175.850 174.600 0.046 0.000 1.031 63 S CA 3.343 61.550 58.200 0.012 0.000 0.996 63 S CB -0.083 63.110 63.200 -0.012 0.000 0.882 63 S HN -0.165 8.152 8.310 0.013 0.000 0.445 64 S N -0.464 115.254 115.700 0.030 0.000 2.469 64 S HA -0.279 4.202 4.470 0.018 0.000 0.238 64 S C 1.634 176.253 174.600 0.032 0.000 0.998 64 S CA 2.068 60.282 58.200 0.023 0.000 0.957 64 S CB -0.436 62.769 63.200 0.009 0.000 0.764 64 S HN 0.349 8.671 8.310 0.019 0.000 0.514 65 Q N 0.547 120.380 119.800 0.055 0.000 2.089 65 Q HA -0.164 4.188 4.340 0.021 0.000 0.195 65 Q C 1.743 177.784 176.000 0.068 0.000 0.963 65 Q CA 2.079 57.913 55.803 0.052 0.000 0.834 65 Q CB -0.304 28.465 28.738 0.052 0.000 0.906 65 Q HN -0.906 7.219 8.270 0.065 0.183 0.452 66 F N 1.714 121.634 119.950 -0.051 0.000 2.202 66 F HA -0.401 4.087 4.527 -0.066 0.000 0.301 66 F C 1.660 177.358 175.800 -0.170 0.000 1.082 66 F CA 3.210 61.155 58.000 -0.092 0.000 1.313 66 F CB 0.242 39.193 39.000 -0.081 0.000 1.024 66 F HN -0.654 7.793 8.300 0.246 0.000 0.495 67 Q N -2.703 117.128 119.800 0.051 0.000 2.172 67 Q HA -0.396 3.880 4.340 -0.107 0.000 0.200 67 Q C 2.160 178.053 176.000 -0.177 0.000 0.964 67 Q CA 3.172 58.939 55.803 -0.061 0.000 0.855 67 Q CB -0.260 28.487 28.738 0.016 0.000 0.918 67 Q HN -0.274 8.032 8.270 0.132 0.044 0.444 68 R N -0.507 119.914 120.500 -0.133 0.000 2.119 68 R HA -0.221 4.052 4.340 -0.111 0.000 0.222 68 R C 2.240 178.437 176.300 -0.171 0.000 1.088 68 R CA 3.106 59.134 56.100 -0.121 0.000 0.984 68 R CB -0.174 30.088 30.300 -0.064 0.000 0.884 68 R HN -0.616 7.562 8.270 -0.091 0.037 0.447 69 E N -0.633 119.424 120.200 -0.238 0.000 2.170 69 E HA -0.189 4.089 4.350 -0.121 0.000 0.191 69 E C 2.176 178.504 176.600 -0.453 0.000 0.981 69 E CA 2.160 58.420 56.400 -0.233 0.000 0.830 69 E CB -0.397 29.224 29.700 -0.132 0.000 0.775 69 E HN -0.569 7.463 8.360 -0.266 0.168 0.470 70 L N -0.656 120.056 121.223 -0.852 0.000 2.044 70 L HA -0.176 3.385 4.340 -1.298 0.000 0.205 70 L C 1.726 178.328 176.870 -0.447 0.000 1.075 70 L CA 2.502 56.736 54.840 -1.009 0.000 0.747 70 L CB 0.053 41.321 42.059 -1.318 0.000 0.903 70 L HN 0.352 7.971 8.230 -0.848 0.102 0.435 71 R N -1.514 118.797 120.500 -0.316 0.000 2.148 71 R HA -0.284 3.965 4.340 -0.152 0.000 0.223 71 R C 1.780 178.014 176.300 -0.110 0.000 1.088 71 R CA 2.625 58.623 56.100 -0.170 0.000 0.985 71 R CB -0.190 30.034 30.300 -0.128 0.000 0.880 71 R HN -0.361 7.700 8.270 -0.348 0.000 0.451 72 K N -1.291 119.043 120.400 -0.110 0.000 2.211 72 K HA -0.253 4.041 4.320 -0.043 0.000 0.204 72 K C 0.251 176.837 176.600 -0.023 0.000 1.047 72 K CA 1.678 57.931 56.287 -0.056 0.000 0.935 72 K CB 0.230 32.700 32.500 -0.049 0.000 0.728 72 K HN -0.449 7.711 8.250 -0.151 0.000 0.452 73 Q N -1.108 118.681 119.800 -0.018 0.000 2.432 73 Q HA -0.153 4.225 4.340 0.063 0.000 0.264 73 Q C -0.731 175.292 176.000 0.038 0.000 1.035 73 Q CA 0.519 56.349 55.803 0.046 0.000 0.908 73 Q CB 0.582 29.388 28.738 0.114 0.000 1.280 73 Q HN -0.557 7.520 8.270 -0.074 0.149 0.455 74 L N 0.770 122.023 121.223 0.051 0.000 2.434 74 L HA 0.332 4.698 4.340 0.044 0.000 0.260 74 L C -1.445 175.458 176.870 0.055 0.000 0.983 74 L CA -1.168 53.699 54.840 0.045 0.000 0.820 74 L CB 2.607 44.684 42.059 0.030 0.000 1.361 74 L HN -0.133 8.134 8.230 0.062 0.000 0.410 75 V N 0.198 120.144 119.914 0.053 0.000 3.319 75 V HA 0.141 4.382 4.120 0.065 -0.082 0.303 75 V C -1.536 174.585 176.094 0.045 0.000 1.094 75 V CA -0.460 61.873 62.300 0.055 0.000 1.106 75 V CB 0.652 32.506 31.823 0.051 0.000 1.099 75 V HN -0.132 8.087 8.190 0.048 0.000 0.476 76 S N 0.557 116.285 115.700 0.047 0.000 3.728 76 S HA 0.355 4.846 4.470 0.035 0.000 0.253 76 S C -1.735 172.889 174.600 0.040 0.000 1.032 76 S CA -1.160 57.064 58.200 0.041 0.000 1.323 76 S CB 1.377 64.603 63.200 0.042 0.000 1.223 76 S HN 0.720 9.062 8.310 0.053 0.000 0.728 77 G N -1.308 107.516 108.800 0.041 0.000 2.690 77 G HA2 0.216 4.197 3.960 0.034 0.000 0.293 77 G HA3 0.216 4.199 3.960 0.037 0.000 0.293 77 G C -2.303 172.626 174.900 0.048 0.000 1.399 77 G CA 0.140 45.263 45.100 0.039 0.000 0.890 77 G HN 0.093 8.408 8.290 0.042 0.000 0.485 78 K N -0.683 119.746 120.400 0.048 0.000 2.578 78 K HA 0.304 4.658 4.320 0.057 0.000 0.269 78 K C -0.070 176.560 176.600 0.050 0.000 0.941 78 K CA -0.833 55.489 56.287 0.059 0.000 0.847 78 K CB 2.479 35.029 32.500 0.082 0.000 1.397 78 K HN -0.095 8.180 8.250 0.040 0.000 0.422 79 L N 2.309 123.563 121.223 0.053 0.000 1.988 79 L HA -0.026 4.334 4.340 0.033 0.000 0.207 79 L C -0.186 176.712 176.870 0.047 0.000 1.071 79 L CA 1.430 56.296 54.840 0.044 0.000 0.744 79 L CB -0.267 41.818 42.059 0.042 0.000 0.893 79 L HN 0.061 8.326 8.230 0.057 0.000 0.433 80 A N -1.951 120.913 122.820 0.073 0.000 2.477 80 A HA 0.081 4.429 4.320 0.047 0.000 0.246 80 A C 1.350 178.952 177.584 0.030 0.000 1.078 80 A CA 0.209 52.289 52.037 0.071 0.000 0.770 80 A CB 0.761 19.860 19.000 0.166 0.000 1.011 80 A HN -0.350 7.856 8.150 0.093 0.000 0.494 81 T N 2.587 117.133 114.554 -0.013 0.000 2.857 81 T HA -0.056 4.284 4.350 -0.017 0.000 0.266 81 T C -1.583 173.068 174.700 -0.082 0.000 1.048 81 T CA 0.759 62.838 62.100 -0.036 0.000 1.139 81 T CB -0.759 68.088 68.868 -0.034 0.000 0.874 81 T HN 0.344 8.576 8.240 -0.013 0.000 0.455 82 P HA -0.077 4.323 4.420 -0.185 -0.091 0.271 82 P C -1.622 175.478 177.300 -0.335 0.000 1.216 82 P CA -0.181 62.708 63.100 -0.352 0.000 0.776 82 P CB 0.699 31.996 31.700 -0.671 0.000 0.881 83 K N 0.278 120.618 120.400 -0.101 0.000 2.393 83 K HA 0.367 4.785 4.320 0.164 0.000 0.241 83 K C 0.845 177.607 176.600 0.270 0.000 1.055 83 K CA -2.336 54.020 56.287 0.115 0.000 0.951 83 K CB 2.675 35.252 32.500 0.129 0.000 1.285 83 K HN 0.284 8.415 8.250 -0.027 0.102 0.500 84 G N -2.429 106.596 108.800 0.376 0.000 3.502 84 G HA2 0.227 4.542 3.960 0.592 0.000 0.267 84 G HA3 0.227 4.583 3.960 0.660 0.000 0.267 84 G C 0.832 175.957 174.900 0.374 0.000 1.090 84 G CA 0.015 45.434 45.100 0.532 0.000 0.795 84 G HN 0.046 8.525 8.290 0.315 0.000 0.535 85 Q N 0.804 120.748 119.800 0.240 0.000 2.234 85 Q HA -0.329 4.087 4.340 0.126 0.000 0.206 85 Q C 1.545 177.572 176.000 0.045 0.000 0.980 85 Q CA 3.384 59.260 55.803 0.121 0.000 0.869 85 Q CB -0.729 28.056 28.738 0.079 0.000 0.912 85 Q HN 0.161 8.512 8.270 0.244 0.066 0.436 86 L N -2.068 119.167 121.223 0.020 0.000 2.201 86 L HA -0.244 4.061 4.340 -0.059 0.000 0.212 86 L C 1.855 178.736 176.870 0.018 0.000 1.105 86 L CA 2.472 57.290 54.840 -0.037 0.000 0.775 86 L CB -1.299 40.657 42.059 -0.173 0.000 0.913 86 L HN -0.282 7.962 8.230 0.067 0.026 0.440 87 D N -0.853 119.605 120.400 0.096 0.000 2.178 87 D HA -0.220 4.452 4.640 -0.061 -0.068 0.202 87 D C 1.861 177.983 176.300 -0.296 0.000 0.974 87 D CA 3.747 57.724 54.000 -0.038 0.000 0.841 87 D CB -0.135 40.737 40.800 0.119 0.000 0.953 87 D HN -0.463 8.038 8.370 0.236 0.010 0.478 88 A N 0.460 123.121 122.820 -0.265 0.000 1.873 88 A HA -0.189 3.440 4.320 -1.151 0.000 0.215 88 A C 2.165 179.406 177.584 -0.572 0.000 1.186 88 A CA 3.059 54.690 52.037 -0.676 0.000 0.616 88 A CB -0.639 18.078 19.000 -0.472 0.000 0.823 88 A HN -0.764 7.240 8.150 -0.075 0.101 0.442 89 V N -0.474 119.283 119.914 -0.262 0.000 2.324 89 V HA -0.510 3.521 4.120 -0.149 0.000 0.250 89 V C 2.086 178.074 176.094 -0.177 0.000 1.060 89 V CA 4.407 66.613 62.300 -0.156 0.000 1.042 89 V CB -0.065 31.741 31.823 -0.028 0.000 0.650 89 V HN -0.031 8.059 8.190 -0.166 0.000 0.450 90 V N 0.284 120.085 119.914 -0.187 0.000 2.223 90 V HA -0.598 3.453 4.120 -0.116 0.000 0.244 90 V C 1.891 177.842 176.094 -0.239 0.000 1.045 90 V CA 4.885 67.082 62.300 -0.173 0.000 1.000 90 V CB -0.429 31.308 31.823 -0.143 0.000 0.635 90 V HN 0.419 8.399 8.190 -0.167 0.110 0.445 91 Q N -1.461 118.106 119.800 -0.388 0.000 2.084 91 Q HA -0.287 3.909 4.340 -0.240 0.000 0.202 91 Q C 3.008 178.824 176.000 -0.308 0.000 0.978 91 Q CA 2.620 58.208 55.803 -0.358 0.000 0.844 91 Q CB -0.420 28.044 28.738 -0.457 0.000 0.898 91 Q HN -0.036 7.938 8.270 -0.493 0.000 0.426 92 V N 0.270 119.901 119.914 -0.472 0.000 2.324 92 V HA -0.516 3.311 4.120 -0.490 0.000 0.250 92 V C 1.730 177.798 176.094 -0.043 0.000 1.060 92 V CA 4.550 66.604 62.300 -0.411 0.000 1.042 92 V CB -0.705 30.803 31.823 -0.525 0.000 0.650 92 V HN 0.638 8.318 8.190 -0.668 0.109 0.450 93 A N -1.171 121.623 122.820 -0.044 0.000 1.930 93 A HA -0.224 4.114 4.320 0.030 0.000 0.217 93 A C 1.254 178.828 177.584 -0.017 0.000 1.175 93 A CA 2.829 54.856 52.037 -0.016 0.000 0.627 93 A CB -0.328 18.610 19.000 -0.103 0.000 0.815 93 A HN -0.569 7.416 8.150 -0.140 0.082 0.443 94 I N -4.670 115.872 120.570 -0.047 0.000 2.585 94 I HA -0.227 3.913 4.170 -0.051 0.000 0.254 94 I C 0.983 177.093 176.117 -0.011 0.000 1.129 94 I CA 2.113 63.385 61.300 -0.047 0.000 1.455 94 I CB 0.795 38.748 38.000 -0.078 0.000 1.111 94 I HN -0.735 7.331 8.210 -0.089 0.091 0.433 95 C N 1.457 120.746 119.300 -0.019 0.000 3.506 95 C HA -0.096 4.352 4.460 -0.022 0.000 0.578 95 C C 0.792 175.783 174.990 0.001 0.000 1.153 95 C CA 0.619 59.619 59.018 -0.029 0.000 1.248 95 C CB -3.464 24.236 27.740 -0.067 0.000 1.532 95 C HN 0.464 8.663 8.230 -0.052 0.000 0.646 96 L N 2.407 123.684 121.223 0.090 0.000 2.051 96 L HA -0.389 4.188 4.340 0.395 0.000 0.214 96 L C 2.194 179.107 176.870 0.072 0.000 1.076 96 L CA 3.533 58.477 54.840 0.173 0.000 0.758 96 L CB -0.629 41.503 42.059 0.121 0.000 0.890 96 L HN 0.183 8.365 8.230 0.063 0.086 0.433 97 G N -5.862 102.959 108.800 0.034 0.000 2.572 97 G HA2 -0.228 3.749 3.960 0.027 0.000 0.216 97 G HA3 -0.228 3.755 3.960 0.038 0.000 0.216 97 G C 0.524 175.438 174.900 0.023 0.000 1.133 97 G CA 0.889 46.006 45.100 0.029 0.000 0.791 97 G HN 0.348 8.640 8.290 0.030 0.016 0.538 98 E N 0.306 120.502 120.200 -0.006 0.000 2.132 98 E HA 0.163 4.575 4.350 0.103 0.000 0.193 98 E C 2.332 178.913 176.600 -0.032 0.000 0.951 98 E CA 0.986 57.400 56.400 0.023 0.000 0.843 98 E CB 0.596 30.300 29.700 0.006 0.000 0.807 98 E HN -0.492 7.685 8.360 -0.033 0.164 0.467 99 I N -2.146 118.233 120.570 -0.319 0.000 2.315 99 I HA -0.290 3.577 4.170 -0.505 0.000 0.248 99 I C 0.661 176.586 176.117 -0.320 0.000 1.117 99 I CA 0.822 61.793 61.300 -0.549 0.000 1.404 99 I CB -0.543 36.805 38.000 -1.087 0.000 1.071 99 I HN 0.532 8.566 8.210 -0.295 0.000 0.419 100 G N -3.075 105.614 108.800 -0.186 0.000 2.130 100 G HA2 -0.391 3.563 3.960 -0.009 0.000 0.216 100 G HA3 -0.391 3.580 3.960 0.020 0.000 0.216 100 G C -1.066 173.859 174.900 0.042 0.000 0.999 100 G CA -0.494 44.585 45.100 -0.035 0.000 0.686 100 G HN -0.389 7.809 8.290 -0.153 0.000 0.515 101 W N 0.181 121.480 121.300 -0.001 0.000 2.443 101 W HA -0.309 4.353 4.660 0.003 0.000 0.335 101 W C -0.194 176.318 176.519 -0.012 0.000 1.382 101 W CA -0.302 57.034 57.345 -0.016 0.000 1.305 101 W CB -0.154 29.270 29.460 -0.060 0.000 1.283 101 W HN -0.797 7.383 8.180 -0.001 0.000 0.567 102 R N 3.010 123.665 120.500 0.257 0.000 2.843 102 R HA 0.189 4.594 4.340 0.108 0.000 0.232 102 R C 0.560 176.905 176.300 0.075 0.000 1.305 102 R CA -1.284 54.895 56.100 0.132 0.000 1.096 102 R CB 1.357 31.721 30.300 0.106 0.000 1.455 102 R HN -0.577 8.055 8.270 0.315 -0.174 0.520 103 N N -0.795 117.925 118.700 0.035 0.000 2.567 103 N HA -0.053 4.670 4.740 -0.027 0.000 0.195 103 N C -0.070 175.426 175.510 -0.024 0.000 1.242 103 N CA 0.461 53.508 53.050 -0.006 0.000 0.884 103 N CB -1.022 37.462 38.487 -0.005 0.000 1.007 103 N HN 0.355 8.759 8.380 0.041 0.000 0.450 104 G N -0.325 108.470 108.800 -0.008 0.000 3.152 104 G HA2 0.265 4.376 3.960 0.011 0.000 0.157 104 G HA3 0.265 4.205 3.960 -0.032 0.000 0.157 104 G C -1.138 173.704 174.900 -0.097 0.000 1.786 104 G CA 0.041 45.125 45.100 -0.026 0.000 1.055 104 G HN -0.654 7.575 8.290 0.025 0.076 0.528 105 T N -1.309 113.178 114.554 -0.112 0.000 2.888 105 T HA 0.191 4.314 4.350 -0.377 0.000 0.284 105 T C -1.163 173.296 174.700 -0.401 0.000 1.017 105 T CA -1.498 60.414 62.100 -0.314 0.000 1.022 105 T CB 2.568 71.280 68.868 -0.259 0.000 1.013 105 T HN -0.490 7.736 8.240 -0.023 0.000 0.465 106 R N 2.425 122.472 120.500 -0.754 0.000 2.451 106 R HA 0.718 5.225 4.340 -0.057 -0.201 0.307 106 R C -1.745 174.194 176.300 -0.601 0.000 0.965 106 R CA -1.051 54.701 56.100 -0.580 0.000 0.865 106 R CB 2.760 32.434 30.300 -1.043 0.000 1.174 106 R HN 0.476 8.176 8.270 -0.950 0.000 0.455 107 F N 3.020 123.091 119.950 0.202 0.000 2.430 107 F HA 0.475 5.255 4.527 0.072 -0.210 0.362 107 F C -0.774 175.216 175.800 0.317 0.000 1.103 107 F CA -2.094 56.015 58.000 0.183 0.000 1.045 107 F CB 1.981 41.069 39.000 0.146 0.000 1.276 107 F HN 1.144 9.738 8.300 0.490 0.000 0.444 108 L N 6.252 127.714 121.223 0.399 0.000 2.356 108 L HA 0.427 5.282 4.340 0.535 -0.194 0.282 108 L C -1.134 175.871 176.870 0.225 0.000 1.132 108 L CA -0.994 54.067 54.840 0.368 0.000 0.923 108 L CB 0.716 42.929 42.059 0.257 0.000 1.278 108 L HN -0.037 8.341 8.230 0.247 0.000 0.436 109 V N 7.867 127.931 119.914 0.251 0.000 2.439 109 V HA -0.089 4.228 4.120 0.126 -0.122 0.271 109 V C -1.719 174.386 176.094 0.018 0.000 1.040 109 V CA 0.747 63.139 62.300 0.153 0.000 1.002 109 V CB -0.126 31.870 31.823 0.289 0.000 1.000 109 V HN 0.849 9.133 8.190 0.337 0.108 0.477 110 L N 9.642 130.882 121.223 0.029 0.000 2.287 110 L HA 0.609 5.057 4.340 -0.054 -0.141 0.287 110 L C -2.026 174.828 176.870 -0.027 0.000 1.022 110 L CA -1.597 53.253 54.840 0.017 0.000 0.814 110 L CB 2.354 44.520 42.059 0.179 0.000 1.217 110 L HN 0.371 8.635 8.230 0.057 0.000 0.420 111 V N 7.851 127.688 119.914 -0.128 0.000 2.435 111 V HA 0.959 5.342 4.120 -0.042 -0.288 0.290 111 V C -0.520 175.543 176.094 -0.051 0.000 1.030 111 V CA -1.568 60.684 62.300 -0.081 0.000 0.881 111 V CB 1.446 33.223 31.823 -0.077 0.000 0.983 111 V HN 1.055 9.001 8.190 -0.223 0.110 0.445 112 T N 4.372 118.890 114.554 -0.060 0.000 2.812 112 T HA 0.350 4.692 4.350 -0.013 0.000 0.294 112 T C -1.709 172.969 174.700 -0.036 0.000 1.159 112 T CA -1.795 60.273 62.100 -0.054 0.000 1.008 112 T CB 2.446 71.251 68.868 -0.105 0.000 1.289 112 T HN -0.231 7.967 8.240 -0.070 0.000 0.514 113 D N 0.697 121.068 120.400 -0.049 0.000 2.479 113 D HA 0.247 4.854 4.640 -0.055 0.000 0.216 113 D C -0.543 175.712 176.300 -0.075 0.000 1.110 113 D CA -0.738 53.204 54.000 -0.097 0.000 0.841 113 D CB 1.878 42.532 40.800 -0.244 0.000 1.040 113 D HN 0.459 8.806 8.370 -0.039 0.000 0.505 114 N N -1.410 117.269 118.700 -0.035 0.000 2.629 114 N HA 0.170 4.905 4.740 -0.007 0.000 0.279 114 N C -0.935 174.627 175.510 0.087 0.000 1.344 114 N CA -0.468 52.583 53.050 0.002 0.000 0.789 114 N CB 3.292 41.772 38.487 -0.012 0.000 1.508 114 N HN -0.516 7.846 8.380 -0.029 0.000 0.516 115 D N -1.031 119.422 120.400 0.089 0.000 2.273 115 D HA -0.135 4.700 4.640 0.325 0.000 0.247 115 D C -0.258 176.145 176.300 0.171 0.000 1.313 115 D CA 2.851 56.936 54.000 0.143 0.000 0.974 115 D CB 0.963 41.742 40.800 -0.035 0.000 1.157 115 D HN 0.260 8.645 8.370 0.024 0.000 0.533 116 F N -5.386 114.485 119.950 -0.131 0.000 2.645 116 F HA 0.423 5.025 4.527 -0.262 -0.232 0.310 116 F C -1.724 173.868 175.800 -0.346 0.000 1.102 116 F CA -1.813 56.061 58.000 -0.209 0.000 0.952 116 F CB 3.335 42.305 39.000 -0.051 0.000 1.326 116 F HN -0.368 7.817 8.300 -0.191 0.000 0.456 117 H N 1.513 120.329 119.070 -0.423 0.000 2.878 117 H HA 0.126 4.419 4.556 -0.677 -0.143 0.290 117 H C 0.310 175.184 175.328 -0.757 0.000 1.065 117 H CA 0.728 56.298 56.048 -0.797 0.000 1.477 117 H CB -0.570 28.383 29.762 -1.348 0.000 1.484 117 H HN 0.415 8.599 8.280 -0.160 0.000 0.504 118 L N 3.163 124.051 121.223 -0.559 0.000 2.543 118 L HA 0.064 4.402 4.340 -0.003 0.000 0.231 118 L C 0.459 177.317 176.870 -0.021 0.000 1.194 118 L CA -0.533 54.158 54.840 -0.247 0.000 0.823 118 L CB 0.777 42.640 42.059 -0.327 0.000 1.374 118 L HN 0.240 8.477 8.230 -0.531 -0.325 0.507 119 A N -1.907 120.960 122.820 0.078 0.000 2.475 119 A HA -0.121 4.472 4.320 0.216 -0.143 0.239 119 A C 1.248 178.864 177.584 0.053 0.000 1.087 119 A CA 1.022 53.127 52.037 0.114 0.000 0.779 119 A CB 0.216 19.262 19.000 0.077 0.000 1.036 119 A HN 0.187 8.375 8.150 0.065 0.000 0.506 120 K N -5.260 115.183 120.400 0.072 0.000 3.548 120 K HA -0.491 3.859 4.320 0.049 0.000 0.303 120 K C 0.115 176.735 176.600 0.033 0.000 1.234 120 K CA 2.254 58.565 56.287 0.040 0.000 1.024 120 K CB -3.261 29.244 32.500 0.008 0.000 1.306 120 K HN 0.562 8.869 8.250 0.095 0.000 0.423 121 D N 0.434 120.850 120.400 0.027 0.000 2.218 121 D HA -0.198 4.435 4.640 -0.012 0.000 0.204 121 D C 1.199 177.523 176.300 0.039 0.000 0.976 121 D CA 2.751 56.750 54.000 -0.002 0.000 0.853 121 D CB -0.570 40.185 40.800 -0.073 0.000 0.939 121 D HN 0.008 8.270 8.370 0.018 0.119 0.481 122 K N -1.253 119.248 120.400 0.167 0.000 2.209 122 K HA -0.177 4.274 4.320 0.218 0.000 0.204 122 K C 1.457 178.083 176.600 0.043 0.000 1.048 122 K CA 2.637 59.023 56.287 0.166 0.000 0.940 122 K CB -1.213 31.371 32.500 0.140 0.000 0.729 122 K HN 0.090 8.464 8.250 0.245 0.023 0.451 123 T N 2.088 116.659 114.554 0.028 0.000 3.007 123 T HA -0.169 4.181 4.350 0.000 0.000 0.270 123 T C 1.859 176.558 174.700 -0.002 0.000 1.107 123 T CA 3.291 65.395 62.100 0.006 0.000 1.118 123 T CB -0.599 68.272 68.868 0.005 0.000 0.889 123 T HN -0.525 7.697 8.240 0.037 0.040 0.506 124 L N -1.042 120.180 121.223 -0.003 0.000 2.362 124 L HA 0.079 4.415 4.340 -0.006 0.000 0.219 124 L C 1.085 177.949 176.870 -0.009 0.000 1.134 124 L CA 1.814 56.650 54.840 -0.006 0.000 0.807 124 L CB -1.248 40.808 42.059 -0.006 0.000 0.927 124 L HN -0.698 7.508 8.230 0.000 0.024 0.447 125 G N -2.888 105.904 108.800 -0.013 0.000 3.284 125 G HA2 0.007 3.953 3.960 -0.023 0.000 0.236 125 G HA3 0.007 3.957 3.960 -0.016 0.000 0.236 125 G C -0.428 174.457 174.900 -0.025 0.000 1.158 125 G CA -0.511 44.578 45.100 -0.019 0.000 0.774 125 G HN -0.263 7.871 8.290 -0.009 0.150 0.545 126 T N 0.540 115.082 114.554 -0.020 0.000 3.803 126 T HA -0.594 3.819 4.350 -0.018 -0.073 0.376 126 T C -0.787 173.893 174.700 -0.033 0.000 0.761 126 T CA 1.259 63.345 62.100 -0.023 0.000 1.962 126 T CB -0.781 68.074 68.868 -0.021 0.000 1.780 126 T HN -0.406 7.635 8.240 -0.015 0.190 0.771 127 R N 2.413 122.892 120.500 -0.035 0.000 3.057 127 R HA 0.330 4.635 4.340 -0.059 0.000 0.291 127 R C -0.389 175.890 176.300 -0.036 0.000 1.394 127 R CA -1.324 54.746 56.100 -0.051 0.000 1.630 127 R CB -0.744 29.510 30.300 -0.078 0.000 1.268 127 R HN -0.357 7.898 8.270 -0.025 0.000 0.621 128 Q N 1.873 121.656 119.800 -0.029 0.000 2.084 128 Q HA -0.371 3.963 4.340 -0.011 0.000 0.202 128 Q C 0.016 176.007 176.000 -0.016 0.000 0.978 128 Q CA 2.990 58.782 55.803 -0.018 0.000 0.844 128 Q CB 0.041 28.769 28.738 -0.016 0.000 0.898 128 Q HN 0.253 8.504 8.270 -0.031 0.000 0.426 129 N N -1.615 117.070 118.700 -0.026 0.000 2.458 129 N HA -0.121 4.611 4.740 -0.013 0.000 0.258 129 N C -0.659 174.845 175.510 -0.010 0.000 1.219 129 N CA 0.472 53.510 53.050 -0.021 0.000 0.902 129 N CB 0.550 39.016 38.487 -0.036 0.000 1.076 129 N HN -0.064 8.295 8.380 -0.035 0.000 0.455 130 T N 3.699 118.256 114.554 0.005 0.000 2.910 130 T HA -0.029 4.695 4.350 0.027 -0.358 0.293 130 T C 0.145 174.865 174.700 0.033 0.000 1.015 130 T CA -0.311 61.803 62.100 0.023 0.000 1.094 130 T CB 0.918 69.801 68.868 0.026 0.000 0.968 130 T HN 0.017 8.260 8.240 0.005 0.000 0.521 131 S N 6.585 122.318 115.700 0.054 0.000 2.546 131 S HA -0.202 4.325 4.470 0.096 0.000 0.290 131 S C 0.446 175.098 174.600 0.086 0.000 1.290 131 S CA 1.380 59.632 58.200 0.086 0.000 1.069 131 S CB 0.471 63.734 63.200 0.105 0.000 0.846 131 S HN 0.318 9.011 8.310 0.058 -0.349 0.495 132 D N 5.484 125.956 120.400 0.121 0.000 2.348 132 D HA -0.007 4.677 4.640 0.073 0.000 0.211 132 D C 0.636 176.989 176.300 0.087 0.000 0.998 132 D CA -0.629 53.436 54.000 0.108 0.000 0.873 132 D CB -0.240 40.645 40.800 0.141 0.000 0.925 132 D HN 0.393 8.864 8.370 0.168 0.000 0.524 133 G N 0.823 109.678 108.800 0.092 0.000 2.160 133 G HA2 -0.429 3.544 3.960 0.021 0.000 0.251 133 G HA3 -0.429 3.549 3.960 0.030 0.000 0.251 133 G C -0.926 173.973 174.900 -0.003 0.000 1.008 133 G CA 0.610 45.732 45.100 0.037 0.000 0.724 133 G HN -0.395 7.924 8.290 0.129 0.048 0.514 134 R N -3.078 117.412 120.500 -0.017 0.000 2.875 134 R HA 0.398 4.672 4.340 -0.110 0.000 0.251 134 R C -1.102 174.998 176.300 -0.333 0.000 1.123 134 R CA -2.491 53.518 56.100 -0.151 0.000 1.064 134 R CB 2.364 32.576 30.300 -0.148 0.000 1.205 134 R HN -0.587 7.971 8.270 0.075 -0.243 0.503 135 C N 1.713 120.820 119.300 -0.321 0.000 2.632 135 C HA 0.028 4.569 4.460 -0.148 -0.170 0.415 135 C C 0.121 174.849 174.990 -0.437 0.000 1.332 135 C CA -0.083 58.782 59.018 -0.255 0.000 1.874 135 C CB -0.974 26.696 27.740 -0.117 0.000 2.596 135 C HN 0.427 8.519 8.230 -0.231 0.000 0.590 136 H N 8.380 127.547 119.070 0.161 0.000 2.790 136 H HA 0.196 4.829 4.556 0.129 0.000 0.232 136 H C -2.310 173.159 175.328 0.235 0.000 1.313 136 H CA -0.731 55.439 56.048 0.204 0.000 1.011 136 H CB 0.223 30.152 29.762 0.278 0.000 2.105 136 H HN 0.929 9.637 8.280 0.135 -0.348 0.580 137 L N 0.250 121.616 121.223 0.238 0.000 2.275 137 L HA 0.316 4.965 4.340 0.233 -0.169 0.288 137 L C -0.968 175.977 176.870 0.125 0.000 1.046 137 L CA -0.861 54.095 54.840 0.193 0.000 0.805 137 L CB 0.604 42.760 42.059 0.161 0.000 1.193 137 L HN -0.889 7.432 8.230 0.152 0.000 0.426 138 D N 6.926 127.386 120.400 0.100 0.000 3.061 138 D HA 0.075 4.752 4.640 0.063 0.000 0.243 138 D C 0.224 176.550 176.300 0.044 0.000 1.572 138 D CA 0.780 54.819 54.000 0.064 0.000 1.269 138 D CB 1.467 42.299 40.800 0.054 0.000 1.023 138 D HN 0.040 8.473 8.370 0.105 0.000 0.280 139 D N -1.134 119.282 120.400 0.027 0.000 2.352 139 D HA 0.017 4.662 4.640 0.008 0.000 0.236 139 D C 0.569 176.863 176.300 -0.010 0.000 1.148 139 D CA -0.045 53.959 54.000 0.007 0.000 0.844 139 D CB -0.101 40.698 40.800 -0.001 0.000 0.933 139 D HN 0.199 8.586 8.370 0.027 0.000 0.507 140 G N -0.940 107.860 108.800 0.000 0.000 2.213 140 G HA2 -0.396 3.518 3.960 -0.075 0.000 0.236 140 G HA3 -0.396 3.573 3.960 0.015 0.000 0.236 140 G C -1.314 173.524 174.900 -0.104 0.000 0.991 140 G CA -0.123 44.953 45.100 -0.039 0.000 0.629 140 G HN -0.020 8.174 8.290 0.031 0.115 0.517 141 M N 0.791 120.364 119.600 -0.046 0.000 2.277 141 M HA 0.443 5.071 4.480 -0.090 -0.201 0.350 141 M C -0.194 176.173 176.300 0.111 0.000 1.180 141 M CA -0.457 54.831 55.300 -0.020 0.000 1.103 141 M CB 1.903 34.498 32.600 -0.007 0.000 1.577 141 M HN -0.876 7.478 8.290 -0.014 -0.073 0.459 142 Y N 5.089 125.417 120.300 0.047 0.000 2.530 142 Y HA 0.091 4.894 4.550 0.170 -0.152 0.340 142 Y C -0.279 175.669 175.900 0.079 0.000 1.247 142 Y CA -1.631 56.559 58.100 0.149 0.000 1.727 142 Y CB -1.166 37.467 38.460 0.288 0.000 1.613 142 Y HN 0.314 8.738 8.280 0.241 0.000 0.464 143 R N 8.921 129.403 120.500 -0.031 0.000 2.127 143 R HA -0.389 3.877 4.340 -0.124 0.000 0.238 143 R C 1.367 177.462 176.300 -0.342 0.000 1.134 143 R CA 2.411 58.426 56.100 -0.141 0.000 0.975 143 R CB -0.807 29.469 30.300 -0.039 0.000 0.865 143 R HN -0.070 8.239 8.270 0.112 0.029 0.447 144 S N -0.637 114.730 115.700 -0.555 0.000 2.555 144 S HA -0.148 4.058 4.470 -0.440 0.000 0.230 144 S C 1.108 175.219 174.600 -0.815 0.000 0.978 144 S CA 1.916 59.724 58.200 -0.654 0.000 0.934 144 S CB -0.514 62.308 63.200 -0.629 0.000 0.766 144 S HN -0.204 7.861 8.310 -0.385 0.014 0.533 145 R N 2.679 122.501 120.500 -1.128 0.000 2.159 145 R HA -0.268 3.755 4.340 -0.528 0.000 0.237 145 R C 1.764 177.862 176.300 -0.335 0.000 1.131 145 R CA 2.973 58.701 56.100 -0.620 0.000 0.982 145 R CB -0.156 29.935 30.300 -0.348 0.000 0.868 145 R HN -0.422 6.953 8.270 -1.424 0.040 0.453 146 G N -4.733 103.895 108.800 -0.288 0.000 2.509 146 G HA2 -0.180 3.683 3.960 -0.162 0.000 0.218 146 G HA3 -0.180 3.688 3.960 -0.153 0.000 0.218 146 G C -0.022 174.775 174.900 -0.173 0.000 1.124 146 G CA 0.875 45.863 45.100 -0.187 0.000 0.776 146 G HN -0.568 7.497 8.290 -0.333 0.024 0.547 147 E N -0.015 120.061 120.200 -0.208 0.000 2.645 147 E HA 0.366 4.639 4.350 -0.128 0.000 0.198 147 E C -2.103 174.406 176.600 -0.151 0.000 1.091 147 E CA -0.830 55.472 56.400 -0.164 0.000 1.096 147 E CB 0.563 30.166 29.700 -0.162 0.000 2.013 147 E HN -0.057 7.963 8.360 -0.276 0.174 0.537 148 P HA 0.039 4.583 4.420 -0.075 -0.169 0.273 148 P C -0.866 176.365 177.300 -0.115 0.000 1.250 148 P CA -0.182 62.858 63.100 -0.100 0.000 0.793 148 P CB 0.978 32.642 31.700 -0.060 0.000 1.011 149 D N -0.477 119.880 120.400 -0.071 0.000 2.506 149 D HA 0.001 4.488 4.640 -0.256 0.000 0.272 149 D C -0.673 175.581 176.300 -0.077 0.000 1.214 149 D CA -1.771 52.162 54.000 -0.111 0.000 1.067 149 D CB 1.097 41.903 40.800 0.010 0.000 1.117 149 D HN -0.365 7.988 8.370 -0.029 0.000 0.578 150 Y N -2.747 117.615 120.300 0.102 0.000 2.544 150 Y HA -0.205 4.786 4.550 0.164 -0.342 0.330 150 Y C 0.909 176.874 175.900 0.108 0.000 1.136 150 Y CA 0.290 58.472 58.100 0.138 0.000 1.417 150 Y CB -0.578 37.984 38.460 0.170 0.000 1.229 150 Y HN 0.132 8.398 8.280 -0.025 0.000 0.532 151 Q N 3.346 123.283 119.800 0.229 0.000 2.523 151 Q HA -0.225 4.291 4.340 0.117 -0.106 0.283 151 Q C 0.120 176.206 176.000 0.144 0.000 1.140 151 Q CA 0.243 56.137 55.803 0.150 0.000 0.981 151 Q CB 0.470 29.276 28.738 0.112 0.000 1.310 151 Q HN 0.172 8.580 8.270 0.229 0.000 0.483 152 S N -0.617 115.136 115.700 0.089 0.000 2.617 152 S HA 0.061 4.565 4.470 0.057 0.000 0.269 152 S C 1.362 175.995 174.600 0.056 0.000 1.292 152 S CA -1.105 57.129 58.200 0.057 0.000 1.010 152 S CB 1.422 64.638 63.200 0.025 0.000 0.944 152 S HN -0.603 7.943 8.310 0.073 -0.192 0.536 153 V N 2.164 122.095 119.914 0.028 0.000 2.490 153 V HA -0.320 3.852 4.120 0.086 0.000 0.250 153 V C 1.187 177.308 176.094 0.045 0.000 1.061 153 V CA 3.743 66.067 62.300 0.040 0.000 1.064 153 V CB -0.276 31.529 31.823 -0.029 0.000 0.670 153 V HN 0.572 8.758 8.190 -0.008 0.000 0.461 154 V N -1.241 118.686 119.914 0.022 0.000 2.871 154 V HA -0.327 3.817 4.120 0.040 0.000 0.256 154 V C 1.556 177.664 176.094 0.024 0.000 1.082 154 V CA 3.117 65.433 62.300 0.026 0.000 1.105 154 V CB -0.427 31.405 31.823 0.015 0.000 0.713 154 V HN -0.177 7.998 8.190 0.001 0.016 0.473 155 Q N 0.817 120.633 119.800 0.026 0.000 2.167 155 Q HA -0.280 4.069 4.340 0.014 0.000 0.202 155 Q C 2.301 178.311 176.000 0.017 0.000 0.970 155 Q CA 3.261 59.077 55.803 0.022 0.000 0.855 155 Q CB -0.153 28.604 28.738 0.033 0.000 0.911 155 Q HN -0.694 7.482 8.270 0.030 0.111 0.438 156 L N -0.722 120.519 121.223 0.030 0.000 1.976 156 L HA -0.367 3.974 4.340 0.002 0.000 0.209 156 L C 2.036 178.910 176.870 0.007 0.000 1.071 156 L CA 2.416 57.269 54.840 0.021 0.000 0.746 156 L CB -1.693 40.399 42.059 0.055 0.000 0.890 156 L HN -0.518 7.739 8.230 0.045 0.000 0.432 157 A N -1.754 121.081 122.820 0.024 0.000 1.917 157 A HA -0.438 3.888 4.320 0.011 0.000 0.219 157 A C 2.338 179.916 177.584 -0.009 0.000 1.182 157 A CA 2.932 54.979 52.037 0.016 0.000 0.633 157 A CB -0.917 18.107 19.000 0.039 0.000 0.819 157 A HN -0.427 7.749 8.150 0.043 0.000 0.448 158 S N -1.714 113.980 115.700 -0.008 0.000 2.344 158 S HA -0.345 4.112 4.470 -0.022 0.000 0.217 158 S C 2.176 176.751 174.600 -0.041 0.000 1.033 158 S CA 3.559 61.746 58.200 -0.021 0.000 1.017 158 S CB -0.049 63.144 63.200 -0.012 0.000 0.941 158 S HN -0.214 8.091 8.310 0.002 0.007 0.430 159 K N 1.422 121.795 120.400 -0.044 0.000 2.288 159 K HA -0.148 4.131 4.320 -0.069 0.000 0.201 159 K C 2.718 179.258 176.600 -0.099 0.000 1.048 159 K CA 1.874 58.122 56.287 -0.066 0.000 0.956 159 K CB -0.506 31.960 32.500 -0.057 0.000 0.746 159 K HN -0.696 7.536 8.250 -0.030 0.000 0.461 160 L N -1.041 120.125 121.223 -0.095 0.000 2.046 160 L HA -0.339 3.900 4.340 -0.168 0.000 0.208 160 L C 1.509 178.291 176.870 -0.147 0.000 1.077 160 L CA 3.433 58.194 54.840 -0.131 0.000 0.747 160 L CB -0.763 41.235 42.059 -0.102 0.000 0.896 160 L HN 0.455 8.645 8.230 -0.067 0.000 0.432 161 A N -2.104 120.652 122.820 -0.107 0.000 1.930 161 A HA -0.208 4.041 4.320 -0.118 0.000 0.215 161 A C 2.028 179.545 177.584 -0.112 0.000 1.176 161 A CA 2.679 54.654 52.037 -0.103 0.000 0.632 161 A CB -0.543 18.417 19.000 -0.067 0.000 0.819 161 A HN -0.621 7.480 8.150 -0.081 0.000 0.445 162 E N -1.574 118.565 120.200 -0.101 0.000 2.047 162 E HA -0.244 4.056 4.350 -0.084 0.000 0.191 162 E C 1.625 178.148 176.600 -0.128 0.000 0.987 162 E CA 1.889 58.231 56.400 -0.096 0.000 0.799 162 E CB 0.209 29.863 29.700 -0.076 0.000 0.752 162 E HN -0.024 8.281 8.360 -0.091 0.000 0.449 163 N N -3.644 114.959 118.700 -0.162 0.000 2.457 163 N HA -0.043 4.586 4.740 -0.185 0.000 0.180 163 N C -0.138 175.186 175.510 -0.310 0.000 1.050 163 N CA 0.440 53.356 53.050 -0.222 0.000 0.906 163 N CB 0.778 39.123 38.487 -0.237 0.000 0.968 163 N HN -0.361 7.929 8.380 -0.150 0.000 0.445 164 N N -2.587 115.945 118.700 -0.281 0.000 2.725 164 N HA -0.471 4.162 4.740 -0.247 -0.041 0.256 164 N C -2.097 173.145 175.510 -0.446 0.000 1.087 164 N CA 0.973 53.843 53.050 -0.301 0.000 0.690 164 N CB -1.387 36.953 38.487 -0.246 0.000 0.891 164 N HN -0.419 7.685 8.380 -0.225 0.141 0.553 165 I N -0.186 120.113 120.570 -0.451 0.000 2.441 165 I HA 0.335 4.252 4.170 -0.681 -0.156 0.295 165 I C -1.476 174.441 176.117 -0.332 0.000 0.994 165 I CA -1.250 59.734 61.300 -0.526 0.000 1.144 165 I CB 2.004 39.681 38.000 -0.539 0.000 1.314 165 I HN 0.239 8.243 8.210 -0.343 0.000 0.445 166 Q N 6.182 125.799 119.800 -0.305 0.000 2.400 166 Q HA 0.478 4.750 4.340 -0.113 0.000 0.255 166 Q C -2.080 173.930 176.000 0.016 0.000 1.008 166 Q CA -3.508 52.236 55.803 -0.099 0.000 0.841 166 Q CB 2.117 30.863 28.738 0.014 0.000 1.220 166 Q HN 0.806 8.694 8.270 -0.467 0.102 0.474 167 P HA 0.211 4.801 4.420 -0.033 -0.189 0.274 167 P C -1.480 175.683 177.300 -0.228 0.000 1.231 167 P CA -0.507 62.491 63.100 -0.170 0.000 0.790 167 P CB 1.122 32.602 31.700 -0.366 0.000 0.951 168 I N 0.429 120.890 120.570 -0.183 0.000 2.476 168 I HA 0.193 4.294 4.170 -0.115 0.000 0.281 168 I C -1.079 175.009 176.117 -0.049 0.000 1.040 168 I CA -0.934 60.307 61.300 -0.099 0.000 1.094 168 I CB 2.800 40.813 38.000 0.021 0.000 1.219 168 I HN 0.467 8.612 8.210 -0.108 0.000 0.450 169 F N 8.071 128.054 119.950 0.055 0.000 2.651 169 F HA 0.083 4.585 4.527 -0.041 0.000 0.347 169 F C 0.113 175.877 175.800 -0.059 0.000 1.284 169 F CA -1.570 56.426 58.000 -0.007 0.000 1.175 169 F CB -1.421 37.631 39.000 0.086 0.000 1.542 169 F HN -0.115 8.097 8.300 0.018 0.099 0.661 170 V N 7.396 127.384 119.914 0.123 0.000 2.390 170 V HA -0.090 4.150 4.120 0.073 -0.077 0.260 170 V C -0.644 175.450 176.094 -0.001 0.000 1.043 170 V CA 0.924 63.265 62.300 0.067 0.000 1.047 170 V CB -1.224 30.655 31.823 0.094 0.000 1.066 170 V HN 0.273 8.493 8.190 0.128 0.046 0.481 171 V N 2.978 122.877 119.914 -0.025 0.000 3.181 171 V HA 0.882 5.119 4.120 -0.068 -0.158 0.308 171 V C -2.693 173.401 176.094 -0.000 0.000 1.214 171 V CA -4.503 57.749 62.300 -0.080 0.000 1.053 171 V CB 3.187 34.845 31.823 -0.275 0.000 1.069 171 V HN 0.948 9.042 8.190 0.008 0.100 0.441 172 P HA 0.487 5.129 4.420 0.087 -0.170 0.281 172 P C 0.748 178.083 177.300 0.058 0.000 1.249 172 P CA -1.426 61.727 63.100 0.088 0.000 0.810 172 P CB 1.649 33.462 31.700 0.188 0.000 1.008 173 S N 3.113 118.847 115.700 0.057 0.000 2.380 173 S HA -0.455 4.039 4.470 0.039 0.000 0.229 173 S C 1.744 176.370 174.600 0.044 0.000 1.043 173 S CA 3.491 61.717 58.200 0.044 0.000 1.038 173 S CB -0.229 62.993 63.200 0.037 0.000 0.872 173 S HN 0.666 9.012 8.310 0.060 0.000 0.456 174 R N -1.688 118.841 120.500 0.048 0.000 2.159 174 R HA -0.202 4.160 4.340 0.036 0.000 0.237 174 R C 0.897 177.221 176.300 0.041 0.000 1.131 174 R CA 2.408 58.533 56.100 0.041 0.000 0.982 174 R CB -0.409 29.914 30.300 0.039 0.000 0.868 174 R HN -0.215 8.091 8.270 0.059 0.000 0.453 175 M N -2.087 117.540 119.600 0.044 0.000 2.308 175 M HA 0.171 4.691 4.480 0.067 0.000 0.269 175 M C 0.907 177.252 176.300 0.075 0.000 1.040 175 M CA -1.041 54.294 55.300 0.057 0.000 1.024 175 M CB 0.911 33.533 32.600 0.037 0.000 1.465 175 M HN -0.103 8.071 8.290 0.042 0.141 0.517 176 V N 2.061 122.009 119.914 0.055 0.000 2.324 176 V HA -0.566 3.587 4.120 0.054 0.000 0.250 176 V C 0.770 176.925 176.094 0.101 0.000 1.060 176 V CA 5.081 67.421 62.300 0.067 0.000 1.042 176 V CB -0.598 31.258 31.823 0.054 0.000 0.650 176 V HN -0.260 7.844 8.190 0.046 0.114 0.450 177 K N -3.602 116.847 120.400 0.081 0.000 2.504 177 K HA -0.274 4.088 4.320 0.070 0.000 0.195 177 K C 1.670 178.319 176.600 0.082 0.000 1.036 177 K CA 2.437 58.767 56.287 0.072 0.000 0.984 177 K CB -1.042 31.487 32.500 0.049 0.000 0.788 177 K HN 0.096 8.370 8.250 0.067 0.016 0.488 178 T N 2.388 117.013 114.554 0.118 0.000 2.866 178 T HA -0.168 4.224 4.350 0.070 0.000 0.250 178 T C 1.996 176.767 174.700 0.119 0.000 1.033 178 T CA 4.277 66.445 62.100 0.113 0.000 1.145 178 T CB 0.074 69.026 68.868 0.139 0.000 0.866 178 T HN -0.479 7.761 8.240 0.139 0.084 0.434 179 Y N 1.723 122.015 120.300 -0.013 0.000 2.373 179 Y HA -0.262 4.217 4.550 -0.119 0.000 0.293 179 Y C 1.091 177.006 175.900 0.024 0.000 1.129 179 Y CA 3.344 61.393 58.100 -0.086 0.000 1.226 179 Y CB 0.027 38.355 38.460 -0.219 0.000 1.000 179 Y HN -0.657 7.829 8.280 0.343 0.000 0.549 180 E N -2.680 117.638 120.200 0.196 0.000 2.409 180 E HA -0.265 4.202 4.350 0.195 0.000 0.198 180 E C 0.944 177.587 176.600 0.072 0.000 1.024 180 E CA 2.029 58.515 56.400 0.143 0.000 0.861 180 E CB -0.531 29.233 29.700 0.107 0.000 0.788 180 E HN -0.313 8.137 8.360 0.184 0.020 0.521 181 K N -3.397 117.030 120.400 0.045 0.000 2.314 181 K HA -0.023 4.219 4.320 -0.130 0.000 0.198 181 K C 1.102 177.720 176.600 0.030 0.000 1.045 181 K CA 0.287 56.547 56.287 -0.045 0.000 0.988 181 K CB 0.012 32.469 32.500 -0.071 0.000 0.783 181 K HN -0.155 7.964 8.250 0.072 0.175 0.484 182 L N -0.183 121.123 121.223 0.138 0.000 2.376 182 L HA -0.156 4.458 4.340 0.456 0.000 0.219 182 L C 1.970 179.013 176.870 0.288 0.000 1.133 182 L CA 2.826 57.803 54.840 0.229 0.000 0.816 182 L CB -0.459 41.563 42.059 -0.061 0.000 0.933 182 L HN -0.363 7.791 8.230 0.075 0.121 0.449 183 T N -1.055 113.654 114.554 0.258 0.000 3.067 183 T HA -0.043 4.589 4.350 0.293 -0.106 0.261 183 T C 0.766 175.525 174.700 0.098 0.000 1.110 183 T CA 3.733 65.977 62.100 0.240 0.000 1.113 183 T CB -0.272 68.751 68.868 0.258 0.000 0.917 183 T HN -0.052 8.172 8.240 0.200 0.136 0.499 184 T N 1.284 115.831 114.554 -0.010 0.000 3.035 184 T HA -0.084 4.230 4.350 -0.060 0.000 0.259 184 T C 0.628 175.244 174.700 -0.140 0.000 1.078 184 T CA 2.166 64.185 62.100 -0.134 0.000 1.132 184 T CB 0.062 68.775 68.868 -0.259 0.000 0.900 184 T HN -0.642 7.389 8.240 -0.019 0.198 0.480 185 F N -1.110 118.874 119.950 0.057 0.000 2.335 185 F HA -0.007 4.541 4.527 0.036 0.000 0.296 185 F C 0.081 175.915 175.800 0.056 0.000 1.091 185 F CA 2.275 60.304 58.000 0.048 0.000 1.399 185 F CB 1.081 40.106 39.000 0.041 0.000 1.067 185 F HN -0.598 7.627 8.300 0.019 0.087 0.520 186 I N -1.607 119.113 120.570 0.250 0.000 2.371 186 I HA 0.344 4.597 4.170 0.139 0.000 0.282 186 I C -2.394 173.787 176.117 0.107 0.000 1.031 186 I CA -3.126 58.273 61.300 0.166 0.000 1.180 186 I CB 0.511 38.621 38.000 0.183 0.000 1.336 186 I HN -0.294 7.968 8.210 0.266 0.108 0.467 187 P HA 0.155 4.600 4.420 0.041 0.000 0.274 187 P C 0.055 177.367 177.300 0.019 0.000 1.231 187 P CA -0.392 62.731 63.100 0.039 0.000 0.790 187 P CB 0.597 32.314 31.700 0.028 0.000 0.951 188 K N -3.798 116.610 120.400 0.014 0.000 3.604 188 K HA -0.361 3.965 4.320 0.010 0.000 0.271 188 K C -0.313 176.287 176.600 -0.001 0.000 1.180 188 K CA 1.383 57.672 56.287 0.003 0.000 1.017 188 K CB -1.239 31.254 32.500 -0.013 0.000 1.292 188 K HN 0.305 8.568 8.250 0.020 0.000 0.501 189 L N -2.601 118.615 121.223 -0.011 0.000 2.476 189 L HA 0.039 4.460 4.340 -0.085 -0.133 0.255 189 L C 0.956 177.827 176.870 0.002 0.000 1.218 189 L CA 0.496 55.303 54.840 -0.056 0.000 0.819 189 L CB 0.599 42.582 42.059 -0.126 0.000 1.119 189 L HN -0.634 7.504 8.230 0.009 0.098 0.485 190 T N -1.984 112.563 114.554 -0.011 0.000 2.541 190 T HA 0.211 4.608 4.350 0.077 0.000 0.222 190 T C -1.539 173.239 174.700 0.130 0.000 0.819 190 T CA -1.744 60.389 62.100 0.055 0.000 1.203 190 T CB 2.860 71.751 68.868 0.038 0.000 1.640 190 T HN -0.104 8.083 8.240 -0.089 0.000 0.507 191 I N -1.958 118.690 120.570 0.129 0.000 2.743 191 I HA 0.024 4.488 4.170 0.248 -0.146 0.284 191 I C -2.430 173.749 176.117 0.104 0.000 1.596 191 I CA 0.509 61.916 61.300 0.177 0.000 1.066 191 I CB 2.409 40.531 38.000 0.202 0.000 1.473 191 I HN -0.054 8.204 8.210 0.080 0.000 0.428 192 G N 6.581 115.437 108.800 0.095 0.000 2.473 192 G HA2 0.574 4.572 3.960 0.063 0.000 0.321 192 G HA3 0.574 4.686 3.960 0.054 -0.120 0.321 192 G C -2.592 172.341 174.900 0.056 0.000 1.200 192 G CA -0.963 44.176 45.100 0.065 0.000 0.963 192 G HN 0.401 8.627 8.290 0.116 0.134 0.483 193 E N 2.683 122.909 120.200 0.044 0.000 2.103 193 E HA 0.555 5.170 4.350 0.037 -0.242 0.254 193 E C -0.265 176.355 176.600 0.034 0.000 0.940 193 E CA -1.921 54.501 56.400 0.037 0.000 0.771 193 E CB 0.301 30.020 29.700 0.032 0.000 1.153 193 E HN 0.280 9.039 8.360 0.040 -0.375 0.428 194 L N 7.071 128.319 121.223 0.042 0.000 2.578 194 L HA -0.191 4.178 4.340 0.049 0.000 0.279 194 L C -1.263 175.611 176.870 0.008 0.000 1.227 194 L CA 1.531 56.397 54.840 0.044 0.000 0.900 194 L CB 0.446 42.548 42.059 0.073 0.000 1.144 194 L HN -0.224 8.032 8.230 0.044 0.000 0.496 195 S N 4.628 120.317 115.700 -0.019 0.000 2.815 195 S HA 0.122 4.520 4.470 -0.120 0.000 0.296 195 S C -1.126 173.435 174.600 -0.066 0.000 1.224 195 S CA -0.706 57.456 58.200 -0.064 0.000 0.938 195 S CB 1.472 64.649 63.200 -0.038 0.000 1.285 195 S HN -0.441 7.868 8.310 -0.002 0.000 0.549 196 D N -0.983 119.377 120.400 -0.067 0.000 2.310 196 D HA -0.109 4.676 4.640 -0.056 -0.179 0.212 196 D C 0.020 176.301 176.300 -0.032 0.000 0.965 196 D CA 1.994 55.964 54.000 -0.051 0.000 0.879 196 D CB 0.107 40.879 40.800 -0.047 0.000 0.921 196 D HN 0.073 8.402 8.370 -0.068 0.000 0.510 197 D N -3.703 116.682 120.400 -0.025 0.000 2.269 197 D HA 0.136 4.765 4.640 -0.020 0.000 0.244 197 D C 0.063 176.357 176.300 -0.009 0.000 0.992 197 D CA -0.892 53.098 54.000 -0.017 0.000 0.894 197 D CB 2.372 43.163 40.800 -0.015 0.000 1.248 197 D HN -0.662 7.626 8.370 -0.026 0.066 0.468 198 S N -0.088 115.606 115.700 -0.010 0.000 2.523 198 S HA -0.002 4.474 4.470 0.011 0.000 0.217 198 S C 1.277 175.872 174.600 -0.008 0.000 0.996 198 S CA 0.785 58.983 58.200 -0.004 0.000 0.921 198 S CB 0.353 63.544 63.200 -0.015 0.000 0.829 198 S HN 0.326 8.626 8.310 -0.016 0.000 0.495 199 S N 3.736 119.428 115.700 -0.012 0.000 2.382 199 S HA -0.372 4.085 4.470 -0.022 0.000 0.228 199 S C 2.023 176.617 174.600 -0.010 0.000 1.027 199 S CA 2.818 61.009 58.200 -0.015 0.000 0.991 199 S CB -0.524 62.667 63.200 -0.015 0.000 0.823 199 S HN -0.125 8.178 8.310 -0.012 0.000 0.469 200 N N 1.995 120.694 118.700 -0.002 0.000 2.043 200 N HA -0.254 4.488 4.740 0.003 0.000 0.193 200 N C 1.674 177.188 175.510 0.007 0.000 1.037 200 N CA 3.076 56.129 53.050 0.005 0.000 0.851 200 N CB 0.073 38.567 38.487 0.012 0.000 1.027 200 N HN -0.550 7.830 8.380 -0.001 0.000 0.422 201 V N 0.392 120.314 119.914 0.013 0.000 2.307 201 V HA -0.329 3.807 4.120 0.026 0.000 0.245 201 V C 1.118 177.208 176.094 -0.006 0.000 1.045 201 V CA 3.067 65.379 62.300 0.021 0.000 1.024 201 V CB 0.024 31.878 31.823 0.052 0.000 0.651 201 V HN -0.767 7.354 8.190 0.015 0.078 0.449 202 A N -1.869 120.939 122.820 -0.019 0.000 2.015 202 A HA -0.263 4.024 4.320 -0.056 0.000 0.219 202 A C 1.726 179.280 177.584 -0.052 0.000 1.163 202 A CA 3.107 55.117 52.037 -0.045 0.000 0.646 202 A CB -0.808 18.162 19.000 -0.050 0.000 0.806 202 A HN 0.257 8.400 8.150 -0.013 0.000 0.448 203 Q N -2.096 117.683 119.800 -0.035 0.000 2.436 203 Q HA -0.174 4.145 4.340 -0.034 0.000 0.209 203 Q C 1.799 177.779 176.000 -0.032 0.000 0.965 203 Q CA 2.306 58.091 55.803 -0.030 0.000 0.910 203 Q CB -0.153 28.575 28.738 -0.017 0.000 0.980 203 Q HN -0.362 7.863 8.270 -0.025 0.031 0.491 204 L N -1.011 120.186 121.223 -0.043 0.000 2.362 204 L HA -0.065 4.254 4.340 -0.036 0.000 0.204 204 L C 1.769 178.565 176.870 -0.123 0.000 1.060 204 L CA 2.359 57.167 54.840 -0.053 0.000 0.827 204 L CB 0.656 42.696 42.059 -0.031 0.000 1.027 204 L HN -0.599 7.488 8.230 -0.049 0.113 0.474 205 I N 0.580 121.055 120.570 -0.159 0.000 2.179 205 I HA -0.521 3.333 4.170 -0.527 0.000 0.242 205 I C 2.420 178.423 176.117 -0.190 0.000 1.088 205 I CA 3.817 64.946 61.300 -0.284 0.000 1.357 205 I CB -0.905 36.976 38.000 -0.198 0.000 1.051 205 I HN -0.658 7.489 8.210 -0.104 0.000 0.409 206 R N -2.741 117.702 120.500 -0.096 0.000 2.193 206 R HA -0.247 4.109 4.340 0.027 0.000 0.213 206 R C 2.132 178.445 176.300 0.022 0.000 1.055 206 R CA 3.065 59.147 56.100 -0.029 0.000 0.995 206 R CB -0.456 29.800 30.300 -0.073 0.000 0.893 206 R HN 0.463 8.565 8.270 -0.095 0.111 0.459 207 N N -0.291 118.402 118.700 -0.012 0.000 2.142 207 N HA -0.265 4.489 4.740 0.024 0.000 0.186 207 N C 1.256 176.779 175.510 0.022 0.000 1.023 207 N CA 2.943 55.998 53.050 0.009 0.000 0.852 207 N CB -0.296 38.189 38.487 -0.002 0.000 0.998 207 N HN -0.652 7.511 8.380 -0.040 0.193 0.424 208 A N -1.109 121.702 122.820 -0.016 0.000 2.014 208 A HA -0.194 4.163 4.320 0.061 0.000 0.218 208 A C 1.354 178.981 177.584 0.072 0.000 1.163 208 A CA 2.221 54.270 52.037 0.020 0.000 0.652 208 A CB -0.646 18.311 19.000 -0.073 0.000 0.808 208 A HN -0.206 7.897 8.150 -0.078 0.000 0.449 209 Y N -1.081 119.191 120.300 -0.047 0.000 2.200 209 Y HA -0.351 4.240 4.550 0.068 0.000 0.290 209 Y C 2.112 178.026 175.900 0.023 0.000 1.137 209 Y CA 3.147 61.251 58.100 0.006 0.000 1.163 209 Y CB 0.249 38.689 38.460 -0.034 0.000 0.988 209 Y HN -0.468 7.762 8.280 0.106 0.114 0.518 210 S N -1.813 113.983 115.700 0.160 0.000 2.489 210 S HA -0.150 4.396 4.470 0.125 0.000 0.228 210 S C 1.099 175.715 174.600 0.025 0.000 0.995 210 S CA 1.553 59.814 58.200 0.102 0.000 0.934 210 S CB -0.370 62.891 63.200 0.102 0.000 0.771 210 S HN -0.456 7.962 8.310 0.180 0.000 0.522 211 K N 0.065 120.474 120.400 0.014 0.000 2.365 211 K HA -0.149 4.175 4.320 0.007 0.000 0.199 211 K C -0.373 176.211 176.600 -0.025 0.000 1.045 211 K CA 0.926 57.215 56.287 0.004 0.000 0.962 211 K CB 0.283 32.798 32.500 0.024 0.000 0.759 211 K HN -0.391 7.735 8.250 0.031 0.143 0.469 212 L N 0.000 121.180 121.223 -0.071 0.000 2.949 212 L HA 0.000 4.298 4.340 -0.071 0.000 0.249 212 L CA 0.000 54.778 54.840 -0.104 0.000 0.813 212 L CB 0.000 41.936 42.059 -0.205 0.000 0.961 212 L HN 0.000 8.121 8.230 -0.095 0.052 0.502