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 2k18_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPLGSPAATT LPDGAAAESL VESSEVAVIG FFKDVESDSA KQFLQAAEAI DATA SEQUENCE DDIPFGITSN SDVFSKYQLD KDGVVLFKKF DEGRNNFEGE VTKENLLDFI DATA SEQUENCE KHNQLPLVIE FTEQTAPKIF GGEIKTHILL FLPKSVSDYD GKLSNFKTAA DATA SEQUENCE ESFKGKILFI FIDSDHTDNQ RILEFFGLKK EECPAVRLIT LEEEMTKYKP DATA SEQUENCE ESEELTAERI TEFCHRFLEG KIKPHLMS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 1 G C 0.000 174.896 174.900 -0.007 0.000 0.946 1 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 2 P HA 0.157 4.572 4.420 -0.008 0.000 0.264 2 P C -1.399 175.896 177.300 -0.009 0.000 1.537 2 P CA 0.011 63.106 63.100 -0.008 0.000 1.189 2 P CB -1.216 30.479 31.700 -0.008 0.000 1.687 3 L N 2.460 123.677 121.223 -0.009 0.000 2.789 3 L HA 0.163 4.497 4.340 -0.010 0.000 0.254 3 L C -1.606 175.259 176.870 -0.009 0.000 0.952 3 L CA 0.356 55.191 54.840 -0.009 0.000 0.942 3 L CB 1.805 43.859 42.059 -0.009 0.000 1.502 3 L HN -0.126 8.099 8.230 -0.009 0.000 0.425 4 G N 2.112 110.906 108.800 -0.010 0.000 3.238 4 G HA2 -0.152 3.803 3.960 -0.010 0.000 0.684 4 G HA3 -0.152 3.802 3.960 -0.010 0.000 0.684 4 G C -2.031 172.862 174.900 -0.010 0.000 1.156 4 G CA -0.762 44.332 45.100 -0.010 0.000 1.048 4 G HN 0.126 8.410 8.290 -0.010 0.000 0.462 5 S N 3.669 119.364 115.700 -0.010 0.000 2.540 5 S HA 0.304 4.768 4.470 -0.011 0.000 0.275 5 S C -2.152 172.443 174.600 -0.008 0.000 1.123 5 S CA -1.028 57.166 58.200 -0.010 0.000 0.907 5 S CB 1.787 64.981 63.200 -0.010 0.000 1.081 5 S HN -0.150 8.154 8.310 -0.009 0.000 0.476 6 P HA -0.096 4.316 4.420 -0.013 0.000 0.264 6 P C -0.712 176.591 177.300 0.004 0.000 1.183 6 P CA 0.098 63.193 63.100 -0.008 0.000 0.763 6 P CB 0.470 32.165 31.700 -0.009 0.000 0.807 7 A N 3.339 126.165 122.820 0.010 0.000 2.015 7 A HA -0.229 4.117 4.320 0.044 0.000 0.219 7 A C -0.751 176.886 177.584 0.088 0.000 1.163 7 A CA 1.753 53.818 52.037 0.048 0.000 0.646 7 A CB 0.402 19.432 19.000 0.051 0.000 0.806 7 A HN 0.223 8.566 8.150 -0.006 -0.197 0.448 8 A N -3.914 118.939 122.820 0.056 0.000 2.290 8 A HA 0.903 5.557 4.320 0.153 -0.242 0.310 8 A C -0.606 177.003 177.584 0.041 0.000 1.202 8 A CA -1.505 50.581 52.037 0.081 0.000 0.837 8 A CB 1.038 20.071 19.000 0.054 0.000 1.139 8 A HN -0.610 7.525 8.150 0.018 0.026 0.509 9 T N 4.393 118.968 114.554 0.035 0.000 2.772 9 T HA 0.269 4.614 4.350 -0.008 0.000 0.288 9 T C -0.983 173.703 174.700 -0.024 0.000 0.994 9 T CA -1.733 60.363 62.100 -0.006 0.000 0.951 9 T CB 0.989 69.840 68.868 -0.029 0.000 0.933 9 T HN 0.874 9.028 8.240 0.060 0.122 0.447 10 T N 6.628 121.165 114.554 -0.030 0.000 2.749 10 T HA 0.620 5.218 4.350 -0.067 -0.287 0.287 10 T C -0.654 174.005 174.700 -0.069 0.000 0.970 10 T CA -1.675 60.395 62.100 -0.050 0.000 0.980 10 T CB 1.159 70.009 68.868 -0.029 0.000 0.924 10 T HN 0.262 8.489 8.240 -0.022 0.000 0.456 11 L N 5.022 126.181 121.223 -0.106 0.000 2.316 11 L HA 0.534 4.830 4.340 -0.074 0.000 0.280 11 L C -1.961 174.846 176.870 -0.104 0.000 1.006 11 L CA -4.375 50.404 54.840 -0.102 0.000 0.836 11 L CB 0.301 42.287 42.059 -0.123 0.000 1.221 11 L HN -0.081 8.064 8.230 -0.141 0.000 0.418 12 P HA -0.032 4.360 4.420 -0.046 0.000 0.247 12 P C -1.475 175.806 177.300 -0.031 0.000 1.225 12 P CA 0.287 63.362 63.100 -0.041 0.000 0.768 12 P CB 0.444 32.135 31.700 -0.016 0.000 1.020 13 D N -6.242 114.129 120.400 -0.047 0.000 2.639 13 D HA -0.009 4.623 4.640 -0.012 0.000 0.271 13 D C 0.128 176.400 176.300 -0.046 0.000 1.254 13 D CA -1.447 52.536 54.000 -0.029 0.000 0.810 13 D CB 1.648 42.441 40.800 -0.013 0.000 1.351 13 D HN -0.943 7.271 8.370 -0.068 0.116 0.427 14 G N -2.038 106.748 108.800 -0.023 0.000 2.418 14 G HA2 -0.262 3.669 3.960 -0.048 0.000 0.217 14 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 14 G C 1.229 176.104 174.900 -0.041 0.000 1.158 14 G CA 1.555 46.639 45.100 -0.028 0.000 0.771 14 G HN 0.259 8.548 8.290 -0.002 0.000 0.545 15 A N 3.361 126.165 122.820 -0.027 0.000 1.892 15 A HA -0.153 4.383 4.320 -0.024 -0.230 0.218 15 A C 2.390 179.947 177.584 -0.045 0.000 1.188 15 A CA 2.575 54.595 52.037 -0.029 0.000 0.631 15 A CB -0.565 18.424 19.000 -0.018 0.000 0.822 15 A HN 0.110 8.250 8.150 -0.016 0.000 0.447 16 A N -3.094 119.695 122.820 -0.052 0.000 1.969 16 A HA -0.273 4.014 4.320 -0.054 0.000 0.218 16 A C 1.705 179.234 177.584 -0.092 0.000 1.169 16 A CA 2.654 54.653 52.037 -0.063 0.000 0.635 16 A CB -0.665 18.300 19.000 -0.058 0.000 0.810 16 A HN 0.577 9.150 8.150 -0.046 -0.450 0.445 17 A N -0.562 122.189 122.820 -0.116 0.000 1.858 17 A HA -0.415 3.788 4.320 -0.194 0.000 0.216 17 A C 1.750 179.230 177.584 -0.174 0.000 1.190 17 A CA 3.168 55.099 52.037 -0.177 0.000 0.617 17 A CB -0.562 18.311 19.000 -0.211 0.000 0.827 17 A HN -0.500 7.477 8.150 -0.100 0.113 0.443 18 E N -2.213 117.913 120.200 -0.123 0.000 2.160 18 E HA -0.449 3.832 4.350 -0.115 0.000 0.195 18 E C 2.191 178.740 176.600 -0.085 0.000 0.991 18 E CA 2.808 59.151 56.400 -0.095 0.000 0.810 18 E CB -0.717 28.952 29.700 -0.051 0.000 0.742 18 E HN 0.024 8.325 8.360 -0.099 0.000 0.466 19 S N 0.764 116.418 115.700 -0.077 0.000 2.353 19 S HA -0.271 4.167 4.470 -0.053 0.000 0.222 19 S C 2.251 176.807 174.600 -0.074 0.000 1.035 19 S CA 3.481 61.642 58.200 -0.064 0.000 1.025 19 S CB 0.017 63.184 63.200 -0.055 0.000 0.902 19 S HN -0.625 7.529 8.310 -0.077 0.110 0.440 20 L N -1.523 119.645 121.223 -0.092 0.000 2.079 20 L HA -0.258 4.036 4.340 -0.077 0.000 0.210 20 L C 0.930 177.736 176.870 -0.107 0.000 1.081 20 L CA 2.859 57.642 54.840 -0.096 0.000 0.752 20 L CB -0.304 41.689 42.059 -0.110 0.000 0.896 20 L HN -0.647 7.523 8.230 -0.101 0.000 0.433 21 V N -2.235 117.602 119.914 -0.128 0.000 2.237 21 V HA -0.503 3.540 4.120 -0.127 0.000 0.245 21 V C 2.846 178.889 176.094 -0.084 0.000 1.046 21 V CA 4.121 66.350 62.300 -0.118 0.000 1.007 21 V CB -0.009 31.740 31.823 -0.123 0.000 0.638 21 V HN -0.732 7.284 8.190 -0.142 0.089 0.445 22 E N -1.021 119.137 120.200 -0.070 0.000 2.187 22 E HA -0.345 3.973 4.350 -0.053 0.000 0.199 22 E C 1.265 177.831 176.600 -0.057 0.000 1.004 22 E CA 2.608 58.975 56.400 -0.056 0.000 0.813 22 E CB -0.313 29.360 29.700 -0.046 0.000 0.736 22 E HN -0.123 8.194 8.360 -0.073 0.000 0.468 23 S N -2.940 112.724 115.700 -0.061 0.000 2.607 23 S HA -0.066 4.374 4.470 -0.050 0.000 0.224 23 S C -0.502 174.060 174.600 -0.065 0.000 0.969 23 S CA 1.141 59.307 58.200 -0.057 0.000 0.927 23 S CB 0.677 63.845 63.200 -0.054 0.000 0.772 23 S HN -0.612 7.528 8.310 -0.067 0.129 0.533 24 S N 0.067 115.722 115.700 -0.076 0.000 2.592 24 S HA 0.254 4.676 4.470 -0.080 0.000 0.275 24 S C -0.786 173.757 174.600 -0.094 0.000 1.169 24 S CA -0.597 57.551 58.200 -0.087 0.000 0.958 24 S CB 1.322 64.460 63.200 -0.104 0.000 1.095 24 S HN -0.142 7.894 8.310 -0.077 0.228 0.471 25 E N 6.700 126.841 120.200 -0.098 0.000 2.086 25 E HA -0.260 4.024 4.350 -0.111 0.000 0.205 25 E C -0.107 176.417 176.600 -0.127 0.000 1.027 25 E CA 2.853 59.182 56.400 -0.118 0.000 0.830 25 E CB 0.175 29.796 29.700 -0.131 0.000 0.751 25 E HN 0.372 8.677 8.360 -0.092 0.000 0.456 26 V N -2.590 117.248 119.914 -0.127 0.000 2.604 26 V HA 0.069 4.138 4.120 -0.086 0.000 0.305 26 V C -2.260 173.757 176.094 -0.128 0.000 1.043 26 V CA -1.309 60.922 62.300 -0.114 0.000 0.888 26 V CB 2.553 34.302 31.823 -0.124 0.000 0.995 26 V HN -0.541 7.573 8.190 -0.126 0.000 0.429 27 A N 4.326 127.092 122.820 -0.091 0.000 2.594 27 A HA 0.681 4.943 4.320 -0.263 -0.099 0.295 27 A C -2.993 174.563 177.584 -0.047 0.000 1.071 27 A CA -1.404 50.543 52.037 -0.151 0.000 0.685 27 A CB 4.139 23.042 19.000 -0.162 0.000 1.285 27 A HN 0.050 8.192 8.150 -0.013 0.000 0.405 28 V N 0.992 120.853 119.914 -0.087 0.000 2.495 28 V HA 0.528 4.954 4.120 0.255 -0.153 0.298 28 V C -2.328 173.897 176.094 0.219 0.000 1.031 28 V CA -2.104 60.283 62.300 0.145 0.000 0.871 28 V CB 3.350 35.306 31.823 0.222 0.000 0.988 28 V HN -0.093 7.933 8.190 -0.275 0.000 0.432 29 I N 7.825 128.558 120.570 0.271 0.000 2.493 29 I HA 0.697 5.194 4.170 0.216 -0.197 0.298 29 I C -1.354 175.004 176.117 0.403 0.000 0.998 29 I CA -3.700 57.737 61.300 0.228 0.000 1.137 29 I CB 2.407 40.396 38.000 -0.019 0.000 1.310 29 I HN 0.988 9.414 8.210 0.359 0.000 0.445 30 G N 2.568 111.592 108.800 0.372 0.000 2.513 30 G HA2 0.568 4.790 3.960 0.437 0.000 0.317 30 G HA3 0.568 4.721 3.960 0.321 0.000 0.317 30 G C -2.415 172.670 174.900 0.309 0.000 1.277 30 G CA -1.566 43.764 45.100 0.384 0.000 0.955 30 G HN 0.947 9.290 8.290 0.295 0.125 0.484 31 F N 3.110 123.066 119.950 0.010 0.000 2.391 31 F HA 0.773 5.536 4.527 0.009 -0.230 0.359 31 F C -1.026 174.764 175.800 -0.018 0.000 1.122 31 F CA -2.699 55.290 58.000 -0.018 0.000 1.120 31 F CB 0.817 39.721 39.000 -0.160 0.000 1.142 31 F HN 0.589 9.098 8.300 0.583 0.141 0.483 32 F N 4.485 124.547 119.950 0.186 0.000 2.539 32 F HA 0.279 4.890 4.527 0.139 0.000 0.318 32 F C -0.703 175.191 175.800 0.157 0.000 1.135 32 F CA -0.460 57.621 58.000 0.135 0.000 0.915 32 F CB 3.593 42.621 39.000 0.048 0.000 1.176 32 F HN 0.082 8.577 8.300 0.324 0.000 0.440 33 K N 2.377 122.946 120.400 0.282 0.000 2.067 33 K HA -0.134 4.313 4.320 0.211 0.000 0.203 33 K C -0.129 176.577 176.600 0.177 0.000 1.048 33 K CA 1.834 58.239 56.287 0.196 0.000 0.954 33 K CB 0.289 32.845 32.500 0.094 0.000 0.737 33 K HN 0.203 8.566 8.250 0.187 0.000 0.444 34 D N -1.256 119.269 120.400 0.207 0.000 2.434 34 D HA 0.164 4.869 4.640 0.108 0.000 0.275 34 D C 0.161 176.550 176.300 0.148 0.000 1.172 34 D CA -1.007 53.081 54.000 0.146 0.000 0.916 34 D CB -0.333 40.529 40.800 0.102 0.000 1.041 34 D HN -0.123 8.405 8.370 0.264 0.000 0.501 35 V N 3.797 123.767 119.914 0.093 0.000 2.982 35 V HA -0.477 3.539 4.120 -0.173 0.000 0.265 35 V C 1.256 177.315 176.094 -0.058 0.000 1.122 35 V CA 2.752 65.025 62.300 -0.045 0.000 1.143 35 V CB 0.171 31.965 31.823 -0.048 0.000 0.726 35 V HN 0.475 8.729 8.190 0.106 0.000 0.507 36 E N -1.201 118.996 120.200 -0.004 0.000 2.338 36 E HA -0.199 4.139 4.350 -0.021 0.000 0.197 36 E C 0.284 176.878 176.600 -0.010 0.000 1.007 36 E CA 1.073 57.468 56.400 -0.008 0.000 0.849 36 E CB -0.324 29.381 29.700 0.008 0.000 0.774 36 E HN 0.113 8.411 8.360 0.027 0.078 0.506 37 S N 0.307 116.010 115.700 0.005 0.000 2.564 37 S HA -0.113 4.367 4.470 0.017 0.000 0.278 37 S C 0.777 175.363 174.600 -0.023 0.000 1.333 37 S CA 0.305 58.514 58.200 0.016 0.000 1.048 37 S CB 0.829 64.076 63.200 0.079 0.000 0.900 37 S HN -0.345 7.821 8.310 0.023 0.158 0.505 38 D N 4.509 124.903 120.400 -0.010 0.000 2.239 38 D HA -0.319 4.302 4.640 -0.032 0.000 0.202 38 D C 1.673 177.953 176.300 -0.033 0.000 0.993 38 D CA 3.141 57.128 54.000 -0.022 0.000 0.874 38 D CB -0.347 40.449 40.800 -0.007 0.000 0.922 38 D HN 0.514 8.886 8.370 0.003 0.000 0.464 39 S N -0.933 114.761 115.700 -0.010 0.000 2.348 39 S HA -0.382 4.100 4.470 0.020 0.000 0.221 39 S C 1.851 176.354 174.600 -0.161 0.000 1.033 39 S CA 4.066 62.269 58.200 0.004 0.000 1.010 39 S CB -0.304 62.993 63.200 0.162 0.000 0.891 39 S HN 0.090 8.377 8.310 0.020 0.035 0.442 40 A N 1.372 123.939 122.820 -0.422 0.000 1.917 40 A HA -0.305 3.207 4.320 -1.346 0.000 0.219 40 A C 2.242 179.644 177.584 -0.302 0.000 1.182 40 A CA 3.175 54.758 52.037 -0.758 0.000 0.633 40 A CB -0.883 17.689 19.000 -0.713 0.000 0.819 40 A HN -0.366 7.619 8.150 -0.275 0.000 0.448 41 K N -2.333 117.962 120.400 -0.175 0.000 2.026 41 K HA -0.315 3.941 4.320 -0.105 0.000 0.208 41 K C 2.735 179.289 176.600 -0.077 0.000 1.048 41 K CA 2.612 58.837 56.287 -0.104 0.000 0.929 41 K CB -0.715 31.742 32.500 -0.073 0.000 0.713 41 K HN -0.703 7.439 8.250 -0.163 0.010 0.439 42 Q N -1.101 118.668 119.800 -0.052 0.000 2.096 42 Q HA -0.290 4.025 4.340 -0.040 0.000 0.204 42 Q C 2.644 178.638 176.000 -0.009 0.000 0.982 42 Q CA 2.633 58.422 55.803 -0.024 0.000 0.850 42 Q CB -0.469 28.272 28.738 0.005 0.000 0.901 42 Q HN -0.407 7.828 8.270 -0.058 0.000 0.422 43 F N 1.422 121.276 119.950 -0.160 0.000 2.171 43 F HA -0.308 4.149 4.527 -0.115 0.000 0.300 43 F C 1.814 177.497 175.800 -0.194 0.000 1.090 43 F CA 3.129 61.037 58.000 -0.153 0.000 1.293 43 F CB 0.123 39.036 39.000 -0.145 0.000 1.013 43 F HN -0.148 8.203 8.300 0.085 0.000 0.486 44 L N -1.074 120.070 121.223 -0.133 0.000 2.027 44 L HA -0.352 3.844 4.340 -0.239 0.000 0.206 44 L C 2.170 178.902 176.870 -0.230 0.000 1.074 44 L CA 3.257 57.982 54.840 -0.192 0.000 0.745 44 L CB -1.051 40.943 42.059 -0.110 0.000 0.898 44 L HN -0.440 7.637 8.230 -0.058 0.118 0.433 45 Q N -2.226 117.473 119.800 -0.169 0.000 2.181 45 Q HA -0.394 3.870 4.340 -0.126 0.000 0.205 45 Q C 2.718 178.599 176.000 -0.198 0.000 0.980 45 Q CA 3.252 58.967 55.803 -0.147 0.000 0.862 45 Q CB -0.198 28.482 28.738 -0.097 0.000 0.905 45 Q HN -0.105 8.086 8.270 -0.132 0.000 0.429 46 A N -1.059 121.592 122.820 -0.281 0.000 1.854 46 A HA -0.210 3.978 4.320 -0.221 0.000 0.214 46 A C 1.662 178.920 177.584 -0.544 0.000 1.192 46 A CA 2.740 54.571 52.037 -0.344 0.000 0.611 46 A CB -0.872 17.915 19.000 -0.357 0.000 0.832 46 A HN -0.425 7.528 8.150 -0.281 0.028 0.442 47 A N -2.130 120.149 122.820 -0.901 0.000 1.986 47 A HA -0.374 2.360 4.320 -2.644 0.000 0.220 47 A C 1.560 178.861 177.584 -0.471 0.000 1.171 47 A CA 2.975 54.185 52.037 -1.378 0.000 0.640 47 A CB -0.603 17.673 19.000 -1.207 0.000 0.811 47 A HN -0.357 7.275 8.150 -0.863 0.000 0.451 48 E N -3.231 116.798 120.200 -0.284 0.000 2.076 48 E HA -0.218 4.097 4.350 -0.057 0.000 0.190 48 E C 1.364 177.917 176.600 -0.079 0.000 0.979 48 E CA 2.131 58.460 56.400 -0.117 0.000 0.807 48 E CB 0.158 29.797 29.700 -0.101 0.000 0.761 48 E HN -0.679 7.462 8.360 -0.329 0.022 0.454 49 A N -2.244 120.509 122.820 -0.112 0.000 2.024 49 A HA -0.168 4.125 4.320 -0.046 0.000 0.220 49 A C 0.587 178.157 177.584 -0.023 0.000 1.164 49 A CA 1.916 53.915 52.037 -0.064 0.000 0.643 49 A CB 0.419 19.374 19.000 -0.075 0.000 0.806 49 A HN -0.501 7.465 8.150 -0.168 0.084 0.451 50 I N -6.772 113.794 120.570 -0.007 0.000 2.439 50 I HA 0.195 4.400 4.170 0.059 0.000 0.283 50 I C -1.997 174.229 176.117 0.182 0.000 1.023 50 I CA -0.943 60.408 61.300 0.085 0.000 1.100 50 I CB 1.352 39.429 38.000 0.127 0.000 1.238 50 I HN -0.697 7.440 8.210 -0.072 0.029 0.445 51 D N 4.853 125.320 120.400 0.111 0.000 2.342 51 D HA 0.178 4.915 4.640 0.161 0.000 0.221 51 D C 0.194 176.525 176.300 0.051 0.000 1.101 51 D CA 0.760 54.820 54.000 0.099 0.000 0.837 51 D CB -0.018 40.810 40.800 0.047 0.000 0.938 51 D HN 0.371 8.782 8.370 0.069 0.000 0.508 52 D N -0.540 119.893 120.400 0.055 0.000 2.117 52 D HA -0.158 4.477 4.640 -0.009 0.000 0.197 52 D C -0.441 175.819 176.300 -0.067 0.000 0.987 52 D CA 1.646 55.647 54.000 0.001 0.000 0.829 52 D CB 0.599 41.410 40.800 0.019 0.000 0.961 52 D HN -0.002 8.336 8.370 0.099 0.091 0.460 53 I N -2.343 118.141 120.570 -0.144 0.000 2.500 53 I HA 0.312 4.340 4.170 -0.236 0.000 0.286 53 I C -2.769 172.946 176.117 -0.671 0.000 1.063 53 I CA -3.419 57.674 61.300 -0.345 0.000 1.062 53 I CB 2.038 39.812 38.000 -0.377 0.000 1.223 53 I HN -0.551 7.621 8.210 -0.063 0.000 0.435 54 P HA -0.034 4.343 4.420 -0.071 0.000 0.265 54 P C -1.591 175.405 177.300 -0.506 0.000 1.187 54 P CA 0.241 63.169 63.100 -0.285 0.000 0.766 54 P CB 0.293 31.908 31.700 -0.141 0.000 0.820 55 F N 0.634 120.563 119.950 -0.034 0.000 2.522 55 F HA 0.943 5.695 4.527 0.028 -0.208 0.324 55 F C 0.375 176.176 175.800 0.001 0.000 1.077 55 F CA -2.051 55.945 58.000 -0.006 0.000 0.944 55 F CB 3.828 42.794 39.000 -0.056 0.000 1.175 55 F HN -0.477 8.026 8.300 0.339 0.000 0.468 56 G N -0.743 108.178 108.800 0.202 0.000 2.658 56 G HA2 0.776 4.888 3.960 0.079 0.000 0.292 56 G HA3 0.776 4.740 3.960 -0.006 -0.007 0.292 56 G C -2.643 172.335 174.900 0.130 0.000 1.320 56 G CA -1.550 43.605 45.100 0.092 0.000 0.933 56 G HN 1.058 9.381 8.290 0.244 0.113 0.476 57 I N -1.577 119.014 120.570 0.035 0.000 2.894 57 I HA 0.994 5.509 4.170 0.055 -0.312 0.302 57 I C -1.475 174.560 176.117 -0.136 0.000 1.188 57 I CA -1.367 59.946 61.300 0.021 0.000 1.014 57 I CB 5.344 43.410 38.000 0.110 0.000 1.242 57 I HN 0.118 8.217 8.210 -0.007 0.107 0.430 58 T N 1.688 116.092 114.554 -0.249 0.000 2.932 58 T HA 0.452 4.689 4.350 -0.188 0.000 0.318 58 T C -1.829 172.757 174.700 -0.189 0.000 1.265 58 T CA -1.975 59.922 62.100 -0.338 0.000 1.036 58 T CB 1.325 69.778 68.868 -0.690 0.000 1.209 58 T HN 0.573 8.693 8.240 -0.200 0.000 0.484 59 S N 2.534 118.231 115.700 -0.005 0.000 2.911 59 S HA 0.155 4.885 4.470 0.433 0.000 0.261 59 S C -0.031 174.767 174.600 0.330 0.000 1.021 59 S CA -0.652 57.697 58.200 0.248 0.000 1.222 59 S CB 1.228 64.545 63.200 0.195 0.000 1.171 59 S HN 0.384 8.674 8.310 -0.033 0.000 0.669 60 N N 3.260 122.087 118.700 0.212 0.000 2.529 60 N HA 0.141 4.987 4.740 0.177 0.000 0.278 60 N C 0.523 176.274 175.510 0.402 0.000 1.146 60 N CA 0.690 53.867 53.050 0.212 0.000 0.980 60 N CB 1.587 40.131 38.487 0.095 0.000 1.124 60 N HN -0.918 7.499 8.380 0.063 0.000 0.458 61 S N 2.165 118.037 115.700 0.287 0.000 2.399 61 S HA -0.289 4.398 4.470 0.361 0.000 0.231 61 S C 1.048 175.832 174.600 0.307 0.000 1.022 61 S CA 3.709 62.081 58.200 0.287 0.000 0.983 61 S CB 0.020 63.285 63.200 0.108 0.000 0.803 61 S HN 0.587 9.005 8.310 0.181 0.000 0.480 62 D N 0.356 120.880 120.400 0.206 0.000 2.182 62 D HA -0.196 4.530 4.640 0.143 0.000 0.201 62 D C 2.052 178.460 176.300 0.181 0.000 0.986 62 D CA 3.208 57.302 54.000 0.157 0.000 0.847 62 D CB -0.395 40.463 40.800 0.098 0.000 0.942 62 D HN 0.243 8.694 8.370 0.170 0.020 0.467 63 V N -0.209 119.818 119.914 0.187 0.000 2.270 63 V HA -0.496 3.688 4.120 0.106 0.000 0.245 63 V C 1.663 177.920 176.094 0.271 0.000 1.043 63 V CA 3.592 65.971 62.300 0.131 0.000 1.014 63 V CB 0.009 31.774 31.823 -0.096 0.000 0.645 63 V HN -0.797 7.393 8.190 0.198 0.119 0.447 64 F N -1.079 119.071 119.950 0.334 0.000 2.091 64 F HA -0.430 4.335 4.527 0.397 0.000 0.299 64 F C 2.817 178.731 175.800 0.191 0.000 1.103 64 F CA 4.190 62.370 58.000 0.300 0.000 1.228 64 F CB -1.016 38.105 39.000 0.203 0.000 0.984 64 F HN -0.795 7.856 8.300 0.586 0.000 0.477 65 S N 0.001 115.906 115.700 0.342 0.000 2.370 65 S HA -0.293 4.280 4.470 0.173 0.000 0.226 65 S C 2.196 176.905 174.600 0.181 0.000 1.033 65 S CA 3.562 61.885 58.200 0.205 0.000 1.011 65 S CB -0.504 62.789 63.200 0.156 0.000 0.852 65 S HN -0.188 8.349 8.310 0.379 0.000 0.457 66 K N 2.350 122.872 120.400 0.204 0.000 2.063 66 K HA -0.295 4.116 4.320 0.151 0.000 0.208 66 K C 1.683 178.439 176.600 0.260 0.000 1.048 66 K CA 2.872 59.276 56.287 0.194 0.000 0.928 66 K CB 0.037 32.645 32.500 0.180 0.000 0.713 66 K HN -0.648 7.649 8.250 0.217 0.083 0.442 67 Y N -3.313 117.060 120.300 0.121 0.000 2.461 67 Y HA -0.047 4.550 4.550 0.078 0.000 0.277 67 Y C -1.194 174.736 175.900 0.049 0.000 1.182 67 Y CA -1.566 56.583 58.100 0.081 0.000 1.276 67 Y CB 0.423 38.924 38.460 0.068 0.000 1.087 67 Y HN -0.615 7.812 8.280 0.374 0.078 0.519 68 Q N -2.930 116.909 119.800 0.065 0.000 2.470 68 Q HA -0.416 3.947 4.340 0.038 0.000 0.294 68 Q C -1.603 174.370 176.000 -0.044 0.000 1.356 68 Q CA 1.335 57.128 55.803 -0.017 0.000 0.805 68 Q CB -2.328 26.354 28.738 -0.093 0.000 1.157 68 Q HN -0.334 7.799 8.270 0.154 0.229 0.431 69 L N -3.032 118.242 121.223 0.085 0.000 2.323 69 L HA 0.322 4.670 4.340 0.014 0.000 0.265 69 L C -1.591 175.404 176.870 0.207 0.000 1.012 69 L CA -1.625 53.290 54.840 0.125 0.000 0.820 69 L CB 2.125 44.282 42.059 0.163 0.000 1.334 69 L HN -0.019 8.181 8.230 0.185 0.141 0.427 70 D N -2.230 118.226 120.400 0.093 0.000 2.562 70 D HA 0.166 4.727 4.640 -0.131 0.000 0.246 70 D C -1.224 174.971 176.300 -0.176 0.000 1.347 70 D CA 0.128 54.086 54.000 -0.070 0.000 0.800 70 D CB 1.284 42.051 40.800 -0.056 0.000 1.111 70 D HN 0.306 8.717 8.370 0.068 0.000 0.508 71 K N -2.223 118.146 120.400 -0.051 0.000 2.533 71 K HA 0.136 4.353 4.320 -0.173 0.000 0.272 71 K C -2.006 174.713 176.600 0.198 0.000 0.985 71 K CA -1.417 54.841 56.287 -0.048 0.000 0.876 71 K CB 2.952 35.427 32.500 -0.041 0.000 1.452 71 K HN -0.772 7.561 8.250 0.139 0.000 0.439 72 D N -0.738 119.736 120.400 0.124 0.000 2.243 72 D HA -0.311 4.607 4.640 0.462 0.000 0.237 72 D C 0.188 176.501 176.300 0.021 0.000 1.364 72 D CA 0.746 54.834 54.000 0.147 0.000 0.927 72 D CB 0.238 40.943 40.800 -0.157 0.000 1.216 72 D HN -0.043 8.326 8.370 -0.002 0.000 0.517 73 G N -3.267 105.480 108.800 -0.087 0.000 2.351 73 G HA2 -0.082 3.791 3.960 -0.146 0.000 0.472 73 G HA3 -0.082 3.818 3.960 -0.100 0.000 0.472 73 G C -2.037 172.870 174.900 0.011 0.000 1.570 73 G CA -0.692 44.347 45.100 -0.102 0.000 0.921 73 G HN 0.008 8.205 8.290 -0.155 0.000 0.674 74 V N 3.437 123.399 119.914 0.081 0.000 2.581 74 V HA 0.398 4.847 4.120 0.401 -0.089 0.303 74 V C -1.054 175.244 176.094 0.339 0.000 1.041 74 V CA -0.300 62.160 62.300 0.267 0.000 0.907 74 V CB 3.132 35.075 31.823 0.202 0.000 0.994 74 V HN 0.234 8.454 8.190 0.049 0.000 0.442 75 V N 3.498 123.650 119.914 0.395 0.000 2.841 75 V HA 0.545 5.006 4.120 0.318 -0.150 0.310 75 V C -2.113 174.219 176.094 0.396 0.000 1.090 75 V CA -2.043 60.459 62.300 0.336 0.000 0.930 75 V CB 3.966 35.911 31.823 0.203 0.000 1.014 75 V HN 1.176 9.546 8.190 0.475 0.105 0.425 76 L N 4.202 125.588 121.223 0.272 0.000 2.289 76 L HA 0.221 4.751 4.340 0.316 0.000 0.285 76 L C -2.056 174.916 176.870 0.169 0.000 1.049 76 L CA -0.551 54.429 54.840 0.232 0.000 0.804 76 L CB 2.214 44.316 42.059 0.072 0.000 1.195 76 L HN 0.055 8.349 8.230 0.209 0.061 0.428 77 F N 5.896 125.827 119.950 -0.033 0.000 2.421 77 F HA 1.030 5.812 4.527 -0.044 -0.281 0.337 77 F C -0.288 175.465 175.800 -0.079 0.000 1.105 77 F CA -2.082 55.885 58.000 -0.056 0.000 1.049 77 F CB 2.204 41.164 39.000 -0.066 0.000 1.139 77 F HN 1.047 9.482 8.300 0.420 0.117 0.479 78 K N 1.850 122.259 120.400 0.016 0.000 2.477 78 K HA 0.416 4.695 4.320 -0.069 0.000 0.255 78 K C 0.545 177.092 176.600 -0.089 0.000 0.952 78 K CA -1.461 54.797 56.287 -0.048 0.000 0.826 78 K CB 3.965 36.453 32.500 -0.021 0.000 1.331 78 K HN 0.380 8.469 8.250 -0.060 0.125 0.437 79 K N 3.737 123.990 120.400 -0.245 0.000 1.991 79 K HA -0.272 3.965 4.320 -0.139 0.000 0.212 79 K C -0.117 176.399 176.600 -0.140 0.000 1.049 79 K CA 2.344 58.468 56.287 -0.271 0.000 0.932 79 K CB 0.027 32.232 32.500 -0.491 0.000 0.717 79 K HN 0.489 8.537 8.250 -0.336 0.000 0.441 80 F N -6.291 113.658 119.950 -0.002 0.000 2.697 80 F HA 0.186 4.714 4.527 0.002 0.000 0.386 80 F C -1.112 174.683 175.800 -0.008 0.000 1.154 80 F CA -3.224 54.776 58.000 0.000 0.000 1.108 80 F CB -0.141 38.865 39.000 0.010 0.000 1.429 80 F HN -0.796 7.012 8.300 -0.821 0.000 0.509 81 D N -1.027 119.566 120.400 0.322 0.000 4.084 81 D HA -0.354 4.320 4.640 0.057 0.000 0.147 81 D C 0.899 177.255 176.300 0.093 0.000 0.905 81 D CA 2.071 56.157 54.000 0.144 0.000 1.071 81 D CB -0.625 40.277 40.800 0.169 0.000 0.563 81 D HN 0.241 8.766 8.370 0.259 0.000 0.588 82 E N 2.471 122.707 120.200 0.060 0.000 2.112 82 E HA -0.085 4.278 4.350 0.021 0.000 0.190 82 E C 0.783 177.371 176.600 -0.020 0.000 0.979 82 E CA 1.250 57.661 56.400 0.018 0.000 0.814 82 E CB 0.492 30.195 29.700 0.005 0.000 0.762 82 E HN 0.277 8.678 8.360 0.067 0.000 0.460 83 G N -1.747 107.034 108.800 -0.032 0.000 2.363 83 G HA2 -0.406 3.697 3.960 -0.074 0.000 0.238 83 G HA3 -0.406 3.484 3.960 -0.116 0.000 0.238 83 G C -2.046 172.671 174.900 -0.305 0.000 1.062 83 G CA 0.442 45.471 45.100 -0.118 0.000 0.629 83 G HN -0.305 7.991 8.290 0.010 0.000 0.514 84 R N -0.682 119.657 120.500 -0.269 0.000 2.564 84 R HA 0.797 5.137 4.340 -0.451 -0.271 0.284 84 R C -1.685 174.558 176.300 -0.096 0.000 1.031 84 R CA -0.777 55.112 56.100 -0.351 0.000 0.904 84 R CB 3.338 33.331 30.300 -0.513 0.000 1.199 84 R HN -0.266 7.801 8.270 -0.150 0.113 0.443 85 N N 2.452 121.143 118.700 -0.015 0.000 2.617 85 N HA 0.164 4.962 4.740 0.096 0.000 0.263 85 N C -1.433 174.209 175.510 0.220 0.000 1.074 85 N CA -0.562 52.549 53.050 0.102 0.000 0.841 85 N CB 2.901 41.423 38.487 0.057 0.000 1.221 85 N HN 0.190 8.643 8.380 -0.025 -0.089 0.529 86 N N 5.175 123.990 118.700 0.191 0.000 2.475 86 N HA -0.014 5.089 4.740 0.239 -0.220 0.267 86 N C -0.392 175.249 175.510 0.219 0.000 1.169 86 N CA 0.706 53.879 53.050 0.206 0.000 0.947 86 N CB 0.741 39.311 38.487 0.138 0.000 1.061 86 N HN 0.265 8.735 8.380 0.150 0.000 0.466 87 F N 7.552 127.580 119.950 0.130 0.000 2.563 87 F HA -0.126 4.309 4.527 -0.153 0.000 0.363 87 F C 1.130 176.872 175.800 -0.096 0.000 1.123 87 F CA 0.285 58.273 58.000 -0.020 0.000 1.307 87 F CB 1.035 40.050 39.000 0.025 0.000 1.115 87 F HN 0.781 9.218 8.300 0.420 0.115 0.592 88 E N 4.057 124.403 120.200 0.243 0.000 2.045 88 E HA -0.350 4.021 4.350 0.035 0.000 0.212 88 E C 0.489 177.147 176.600 0.096 0.000 1.039 88 E CA 2.444 58.913 56.400 0.115 0.000 0.860 88 E CB 0.090 29.831 29.700 0.068 0.000 0.776 88 E HN 0.305 8.684 8.360 0.030 0.000 0.467 89 G N -2.399 106.450 108.800 0.082 0.000 4.073 89 G HA2 -0.140 3.774 3.960 -0.077 0.000 0.183 89 G HA3 -0.140 3.795 3.960 -0.041 0.000 0.183 89 G C -1.143 173.663 174.900 -0.156 0.000 0.873 89 G CA -0.377 44.689 45.100 -0.056 0.000 0.937 89 G HN -0.405 7.994 8.290 0.181 0.000 0.344 90 E N 3.306 123.431 120.200 -0.125 0.000 2.406 90 E HA -0.120 4.161 4.350 -0.115 0.000 0.258 90 E C -0.783 175.615 176.600 -0.336 0.000 1.043 90 E CA -0.135 56.174 56.400 -0.152 0.000 0.929 90 E CB 0.478 30.143 29.700 -0.058 0.000 0.969 90 E HN -0.028 8.309 8.360 -0.039 0.000 0.462 91 V N 5.532 125.299 119.914 -0.245 0.000 2.339 91 V HA 0.277 4.110 4.120 -0.478 0.000 0.261 91 V C -1.059 174.983 176.094 -0.086 0.000 1.058 91 V CA -1.503 60.654 62.300 -0.237 0.000 0.897 91 V CB -0.387 31.402 31.823 -0.056 0.000 1.052 91 V HN 0.078 8.178 8.190 -0.149 0.000 0.480 92 T N 6.980 121.492 114.554 -0.071 0.000 2.893 92 T HA 0.354 4.718 4.350 0.025 0.000 0.293 92 T C 0.175 174.926 174.700 0.085 0.000 1.027 92 T CA -1.334 60.780 62.100 0.023 0.000 0.988 92 T CB 3.499 72.381 68.868 0.024 0.000 1.043 92 T HN -0.327 7.809 8.240 -0.173 0.000 0.461 93 K N 5.972 126.409 120.400 0.060 0.000 2.026 93 K HA -0.390 3.947 4.320 0.027 0.000 0.208 93 K C 1.567 178.190 176.600 0.038 0.000 1.048 93 K CA 3.800 60.105 56.287 0.030 0.000 0.929 93 K CB -0.581 31.912 32.500 -0.013 0.000 0.713 93 K HN 0.562 8.836 8.250 0.040 0.000 0.439 94 E N -1.047 119.179 120.200 0.043 0.000 2.028 94 E HA -0.299 4.070 4.350 0.032 0.000 0.190 94 E C 2.054 178.706 176.600 0.086 0.000 0.984 94 E CA 3.879 60.307 56.400 0.047 0.000 0.800 94 E CB -0.392 29.328 29.700 0.034 0.000 0.758 94 E HN 0.378 8.760 8.360 0.036 0.000 0.448 95 N N -2.502 116.269 118.700 0.117 0.000 2.289 95 N HA -0.251 4.568 4.740 0.132 0.000 0.184 95 N C 2.401 178.122 175.510 0.352 0.000 1.016 95 N CA 3.023 56.186 53.050 0.188 0.000 0.872 95 N CB -0.424 38.178 38.487 0.191 0.000 0.973 95 N HN 0.101 8.537 8.380 0.094 0.000 0.433 96 L N -1.028 120.419 121.223 0.373 0.000 2.072 96 L HA -0.088 4.875 4.340 1.039 0.000 0.205 96 L C 1.387 178.486 176.870 0.380 0.000 1.079 96 L CA 3.622 58.813 54.840 0.586 0.000 0.752 96 L CB -0.859 41.515 42.059 0.524 0.000 0.906 96 L HN 0.163 8.417 8.230 0.243 0.122 0.436 97 L N -0.372 120.963 121.223 0.186 0.000 2.079 97 L HA -0.458 3.961 4.340 0.131 0.000 0.210 97 L C 2.098 179.034 176.870 0.111 0.000 1.081 97 L CA 3.769 58.680 54.840 0.119 0.000 0.752 97 L CB -0.971 41.116 42.059 0.047 0.000 0.896 97 L HN -0.345 7.971 8.230 0.143 0.000 0.433 98 D N -0.332 120.106 120.400 0.062 0.000 2.084 98 D HA -0.301 4.231 4.640 -0.179 0.000 0.196 98 D C 2.197 178.427 176.300 -0.117 0.000 0.985 98 D CA 4.408 58.328 54.000 -0.134 0.000 0.826 98 D CB -0.274 40.408 40.800 -0.198 0.000 0.978 98 D HN -0.486 7.932 8.370 0.095 0.010 0.456 99 F N 0.689 120.580 119.950 -0.098 0.000 2.161 99 F HA -0.357 4.096 4.527 -0.124 0.000 0.300 99 F C 1.206 177.017 175.800 0.018 0.000 1.089 99 F CA 3.082 61.023 58.000 -0.098 0.000 1.282 99 F CB 0.132 38.967 39.000 -0.275 0.000 1.010 99 F HN -0.701 7.761 8.300 0.269 0.000 0.485 100 I N -1.206 119.430 120.570 0.111 0.000 2.163 100 I HA -0.593 3.550 4.170 -0.045 0.000 0.240 100 I C 2.030 178.164 176.117 0.027 0.000 1.081 100 I CA 2.732 64.075 61.300 0.071 0.000 1.353 100 I CB -1.240 36.938 38.000 0.297 0.000 1.054 100 I HN 0.115 8.471 8.210 0.261 0.011 0.407 101 K N -0.969 119.490 120.400 0.099 0.000 2.097 101 K HA -0.330 4.039 4.320 0.082 0.000 0.206 101 K C 2.707 179.418 176.600 0.185 0.000 1.049 101 K CA 3.282 59.648 56.287 0.132 0.000 0.933 101 K CB -0.059 32.546 32.500 0.175 0.000 0.717 101 K HN -0.317 8.004 8.250 0.118 0.000 0.442 102 H N -3.481 115.563 119.070 -0.043 0.000 2.502 102 H HA -0.062 4.472 4.556 -0.037 0.000 0.283 102 H C 0.603 175.847 175.328 -0.140 0.000 1.015 102 H CA 1.916 57.926 56.048 -0.063 0.000 1.298 102 H CB -0.199 29.552 29.762 -0.018 0.000 1.411 102 H HN 0.034 8.321 8.280 0.207 0.117 0.556 103 N N -3.114 115.507 118.700 -0.130 0.000 2.282 103 N HA -0.050 4.576 4.740 -0.190 0.000 0.185 103 N C 0.569 176.001 175.510 -0.130 0.000 1.099 103 N CA 0.451 53.352 53.050 -0.248 0.000 0.878 103 N CB 1.083 39.199 38.487 -0.618 0.000 0.993 103 N HN -0.446 7.706 8.380 -0.135 0.147 0.481 104 Q N -0.722 119.031 119.800 -0.079 0.000 2.291 104 Q HA -0.212 4.084 4.340 -0.074 0.000 0.206 104 Q C -0.020 175.970 176.000 -0.016 0.000 0.976 104 Q CA 1.680 57.451 55.803 -0.054 0.000 0.875 104 Q CB 0.422 29.136 28.738 -0.041 0.000 0.927 104 Q HN -0.073 7.975 8.270 -0.060 0.186 0.450 105 L N -2.611 118.612 121.223 0.001 0.000 2.334 105 L HA 0.404 4.793 4.340 0.080 0.000 0.270 105 L C -2.743 174.176 176.870 0.081 0.000 1.018 105 L CA -3.346 51.520 54.840 0.045 0.000 0.811 105 L CB 0.484 42.544 42.059 0.001 0.000 1.271 105 L HN -0.635 7.544 8.230 -0.019 0.039 0.443 106 P HA 0.031 4.529 4.420 0.129 0.000 0.272 106 P C -0.237 177.050 177.300 -0.023 0.000 1.240 106 P CA -1.088 62.051 63.100 0.065 0.000 0.791 106 P CB 0.844 32.440 31.700 -0.174 0.000 0.978 107 L N -2.305 118.889 121.223 -0.048 0.000 2.187 107 L HA -0.230 4.071 4.340 -0.064 0.000 0.213 107 L C -0.302 176.552 176.870 -0.027 0.000 1.100 107 L CA 1.690 56.498 54.840 -0.054 0.000 0.765 107 L CB 0.242 42.271 42.059 -0.050 0.000 0.904 107 L HN 0.162 8.355 8.230 -0.061 0.000 0.437 108 V N -10.501 109.420 119.914 0.013 0.000 2.962 108 V HA 0.436 4.741 4.120 0.110 -0.119 0.313 108 V C -1.526 174.585 176.094 0.029 0.000 1.099 108 V CA -2.811 59.565 62.300 0.127 0.000 0.971 108 V CB 3.330 35.349 31.823 0.326 0.000 1.028 108 V HN -0.899 7.229 8.190 -0.044 0.035 0.430 109 I N -3.540 116.902 120.570 -0.212 0.000 2.607 109 I HA 0.333 4.298 4.170 -0.343 0.000 0.290 109 I C -1.448 174.005 176.117 -1.108 0.000 1.129 109 I CA -1.537 59.477 61.300 -0.476 0.000 1.042 109 I CB 3.048 40.892 38.000 -0.260 0.000 1.242 109 I HN -0.138 7.954 8.210 -0.197 0.000 0.421 110 E N 5.603 125.066 120.200 -1.228 0.000 2.366 110 E HA 0.129 3.760 4.350 -1.613 -0.250 0.266 110 E C -0.924 175.427 176.600 -0.415 0.000 1.051 110 E CA -1.037 54.729 56.400 -1.057 0.000 0.884 110 E CB 1.197 30.656 29.700 -0.402 0.000 1.006 110 E HN 0.132 8.044 8.360 -0.747 0.000 0.417 111 F N 5.839 125.584 119.950 -0.341 0.000 2.506 111 F HA -0.051 4.356 4.527 -0.201 0.000 0.371 111 F C -1.313 174.409 175.800 -0.131 0.000 1.078 111 F CA 1.718 59.603 58.000 -0.191 0.000 1.195 111 F CB 0.631 39.559 39.000 -0.119 0.000 1.099 111 F HN 0.669 8.835 8.300 -0.054 0.101 0.548 112 T N 2.957 117.425 114.554 -0.144 0.000 2.739 112 T HA 0.270 4.641 4.350 0.035 0.000 0.303 112 T C -1.023 173.591 174.700 -0.144 0.000 1.389 112 T CA -1.194 60.864 62.100 -0.070 0.000 1.001 112 T CB 3.079 71.900 68.868 -0.078 0.000 1.436 112 T HN -0.449 7.538 8.240 -0.422 0.000 0.500 113 E N 2.150 122.299 120.200 -0.085 0.000 2.130 113 E HA -0.434 3.854 4.350 -0.103 0.000 0.196 113 E C 1.173 177.670 176.600 -0.173 0.000 0.998 113 E CA 3.585 59.920 56.400 -0.108 0.000 0.806 113 E CB -0.252 29.408 29.700 -0.066 0.000 0.738 113 E HN 0.593 8.927 8.360 -0.044 0.000 0.459 114 Q N -4.027 115.676 119.800 -0.162 0.000 2.187 114 Q HA -0.071 4.167 4.340 -0.169 0.000 0.199 114 Q C 1.762 177.618 176.000 -0.240 0.000 0.957 114 Q CA 2.471 58.169 55.803 -0.174 0.000 0.857 114 Q CB 0.252 28.916 28.738 -0.124 0.000 0.929 114 Q HN -0.015 8.161 8.270 -0.131 0.015 0.453 115 T N 1.849 116.226 114.554 -0.296 0.000 2.904 115 T HA -0.335 3.834 4.350 -0.301 0.000 0.267 115 T C 1.180 175.578 174.700 -0.503 0.000 1.059 115 T CA 3.716 65.581 62.100 -0.390 0.000 1.137 115 T CB -0.759 67.818 68.868 -0.484 0.000 0.879 115 T HN -0.855 7.114 8.240 -0.267 0.110 0.467 116 A N 1.079 123.560 122.820 -0.565 0.000 1.884 116 A HA -0.168 3.774 4.320 -0.631 0.000 0.219 116 A C -0.894 176.185 177.584 -0.842 0.000 1.197 116 A CA 4.801 56.462 52.037 -0.626 0.000 0.637 116 A CB -2.439 16.274 19.000 -0.478 0.000 0.827 116 A HN 0.370 8.229 8.150 -0.486 0.000 0.450 117 P HA -0.159 3.652 4.420 -1.014 0.000 0.217 117 P C 1.677 178.790 177.300 -0.312 0.000 1.151 117 P CA 2.342 65.060 63.100 -0.636 0.000 0.828 117 P CB -0.573 30.899 31.700 -0.380 0.000 0.788 118 K N -1.953 118.300 120.400 -0.244 0.000 2.211 118 K HA -0.285 3.978 4.320 -0.095 0.000 0.204 118 K C 2.446 179.004 176.600 -0.070 0.000 1.047 118 K CA 3.147 59.353 56.287 -0.135 0.000 0.935 118 K CB -0.333 32.081 32.500 -0.143 0.000 0.728 118 K HN -0.742 7.271 8.250 -0.289 0.064 0.452 119 I N -1.375 119.153 120.570 -0.070 0.000 2.296 119 I HA -0.282 3.946 4.170 0.097 0.000 0.242 119 I C 1.450 177.725 176.117 0.263 0.000 1.087 119 I CA 0.829 62.188 61.300 0.098 0.000 1.393 119 I CB -0.553 37.494 38.000 0.078 0.000 1.093 119 I HN -0.261 7.695 8.210 -0.193 0.138 0.421 120 F N -2.657 117.277 119.950 -0.026 0.000 2.176 120 F HA -0.346 4.191 4.527 0.016 0.000 0.301 120 F C 1.596 177.397 175.800 0.001 0.000 1.071 120 F CA 1.466 59.464 58.000 -0.004 0.000 1.289 120 F CB -1.115 37.875 39.000 -0.017 0.000 1.028 120 F HN -0.500 8.064 8.300 0.439 0.000 0.494 121 G N -3.717 105.193 108.800 0.184 0.000 3.197 121 G HA2 -0.011 4.011 3.960 0.104 0.000 0.167 121 G HA3 -0.011 3.994 3.960 0.076 0.000 0.167 121 G C 0.976 175.907 174.900 0.052 0.000 1.914 121 G CA 0.149 45.309 45.100 0.099 0.000 0.956 121 G HN -0.835 7.516 8.290 0.161 0.036 0.480 122 G N 1.348 110.157 108.800 0.015 0.000 2.746 122 G HA2 -0.407 3.450 3.960 -0.171 0.000 0.236 122 G HA3 -0.407 3.477 3.960 -0.126 0.000 0.236 122 G C -0.382 174.524 174.900 0.011 0.000 1.172 122 G CA 0.371 45.423 45.100 -0.079 0.000 0.736 122 G HN 0.290 8.597 8.290 0.028 0.000 0.519 123 E N 0.003 120.230 120.200 0.045 0.000 3.726 123 E HA -0.366 4.019 4.350 0.058 0.000 0.165 123 E C -0.917 175.713 176.600 0.051 0.000 1.525 123 E CA 0.402 56.849 56.400 0.078 0.000 0.867 123 E CB -0.757 29.035 29.700 0.153 0.000 1.077 123 E HN 0.181 8.436 8.360 0.031 0.124 0.378 124 I N -4.161 116.410 120.570 0.002 0.000 6.364 124 I HA -0.385 3.762 4.170 -0.039 0.000 0.126 124 I C -2.706 173.383 176.117 -0.048 0.000 1.442 124 I CA 0.898 62.185 61.300 -0.020 0.000 2.500 124 I CB -1.684 36.322 38.000 0.009 0.000 2.730 124 I HN 0.269 8.480 8.210 0.001 0.000 0.290 125 K N 2.641 122.956 120.400 -0.142 0.000 2.533 125 K HA 0.274 4.533 4.320 -0.101 0.000 0.272 125 K C -1.778 174.666 176.600 -0.260 0.000 0.985 125 K CA -2.205 53.971 56.287 -0.184 0.000 0.876 125 K CB 3.353 35.704 32.500 -0.248 0.000 1.452 125 K HN -0.675 7.466 8.250 -0.183 0.000 0.439 126 T N 3.404 117.851 114.554 -0.178 0.000 2.756 126 T HA 0.353 4.632 4.350 -0.117 0.000 0.290 126 T C -1.461 173.248 174.700 0.015 0.000 0.985 126 T CA 0.144 62.175 62.100 -0.116 0.000 0.955 126 T CB 0.456 69.246 68.868 -0.129 0.000 0.930 126 T HN 0.421 8.585 8.240 -0.127 0.000 0.451 127 H N 3.109 122.200 119.070 0.035 0.000 2.806 127 H HA 0.702 5.422 4.556 0.114 -0.096 0.367 127 H C -1.876 173.537 175.328 0.142 0.000 1.136 127 H CA -2.932 53.171 56.048 0.093 0.000 1.178 127 H CB 3.173 32.973 29.762 0.063 0.000 1.718 127 H HN 0.245 8.733 8.280 0.346 0.000 0.540 128 I N -3.036 117.727 120.570 0.321 0.000 2.460 128 I HA 0.263 4.520 4.170 0.145 0.000 0.298 128 I C -2.622 173.602 176.117 0.178 0.000 0.989 128 I CA -1.202 60.224 61.300 0.210 0.000 1.173 128 I CB 2.272 40.386 38.000 0.191 0.000 1.338 128 I HN 0.128 8.596 8.210 0.429 0.000 0.456 129 L N 4.266 125.551 121.223 0.102 0.000 2.322 129 L HA 0.659 5.244 4.340 0.145 -0.158 0.281 129 L C -2.483 174.474 176.870 0.145 0.000 1.014 129 L CA -1.710 53.193 54.840 0.104 0.000 0.815 129 L CB 3.245 45.315 42.059 0.019 0.000 1.247 129 L HN 0.906 9.073 8.230 0.070 0.105 0.421 130 L N 5.732 127.088 121.223 0.222 0.000 2.305 130 L HA 0.400 4.874 4.340 0.223 0.000 0.284 130 L C -2.535 174.472 176.870 0.229 0.000 1.013 130 L CA -1.020 53.974 54.840 0.257 0.000 0.819 130 L CB 3.804 46.105 42.059 0.403 0.000 1.227 130 L HN 0.859 9.126 8.230 0.246 0.111 0.417 131 F N 8.433 128.411 119.950 0.047 0.000 2.390 131 F HA 0.351 4.991 4.527 -0.014 -0.122 0.361 131 F C -2.184 173.642 175.800 0.044 0.000 1.124 131 F CA -1.899 56.103 58.000 0.003 0.000 1.149 131 F CB 1.092 40.056 39.000 -0.061 0.000 1.160 131 F HN 0.079 8.560 8.300 0.303 0.000 0.501 132 L N 8.557 129.470 121.223 -0.517 0.000 2.322 132 L HA 0.510 4.627 4.340 -0.372 0.000 0.281 132 L C -1.620 174.843 176.870 -0.678 0.000 1.014 132 L CA -2.783 51.783 54.840 -0.456 0.000 0.815 132 L CB 0.850 42.819 42.059 -0.150 0.000 1.247 132 L HN 0.637 8.654 8.230 -0.356 0.000 0.421 133 P HA -0.119 4.011 4.420 -0.485 0.000 0.197 133 P C 1.475 178.633 177.300 -0.236 0.000 1.076 133 P CA 1.304 64.172 63.100 -0.386 0.000 0.876 133 P CB 0.336 31.911 31.700 -0.207 0.000 0.705 134 K N -1.870 118.440 120.400 -0.150 0.000 2.076 134 K HA -0.209 4.045 4.320 -0.109 0.000 0.204 134 K C 1.416 177.976 176.600 -0.067 0.000 1.051 134 K CA 2.353 58.581 56.287 -0.099 0.000 0.949 134 K CB -0.201 32.259 32.500 -0.067 0.000 0.726 134 K HN 0.293 8.464 8.250 -0.132 0.000 0.443 135 S N -3.830 111.837 115.700 -0.056 0.000 1.831 135 S HA -0.240 4.214 4.470 -0.027 0.000 0.238 135 S C -0.811 173.819 174.600 0.050 0.000 0.971 135 S CA 1.538 59.727 58.200 -0.018 0.000 1.450 135 S CB -1.183 62.008 63.200 -0.016 0.000 1.824 135 S HN -0.009 8.260 8.310 -0.069 0.000 0.543 136 V N 0.885 120.822 119.914 0.039 0.000 2.872 136 V HA -0.211 3.968 4.120 0.099 0.000 0.307 136 V C 0.921 177.132 176.094 0.194 0.000 1.072 136 V CA 2.038 64.393 62.300 0.091 0.000 1.148 136 V CB 0.390 32.215 31.823 0.003 0.000 0.954 136 V HN -0.911 7.151 8.190 -0.002 0.127 0.490 137 S N 2.389 118.358 115.700 0.448 0.000 1.405 137 S HA -0.293 4.410 4.470 0.388 0.000 0.247 137 S C -0.327 174.260 174.600 -0.023 0.000 0.689 137 S CA 2.905 61.264 58.200 0.264 0.000 1.172 137 S CB -0.491 62.768 63.200 0.098 0.000 1.331 137 S HN 0.549 9.295 8.310 0.727 0.000 0.501 138 D N 0.786 121.198 120.400 0.020 0.000 2.339 138 D HA 0.156 4.692 4.640 -0.174 0.000 0.217 138 D C 1.214 177.436 176.300 -0.129 0.000 1.050 138 D CA -0.072 53.870 54.000 -0.098 0.000 0.856 138 D CB 0.014 40.791 40.800 -0.037 0.000 0.922 138 D HN -0.488 7.854 8.370 0.105 0.090 0.518 139 Y N -1.585 118.676 120.300 -0.066 0.000 2.053 139 Y HA -0.463 4.000 4.550 -0.144 0.000 0.277 139 Y C 1.235 177.086 175.900 -0.083 0.000 1.159 139 Y CA 2.117 60.159 58.100 -0.097 0.000 1.125 139 Y CB -1.959 36.452 38.460 -0.082 0.000 0.969 139 Y HN -0.642 7.756 8.280 0.324 0.076 0.492 140 D N -0.315 119.717 120.400 -0.614 0.000 2.087 140 D HA -0.396 4.168 4.640 -0.127 0.000 0.192 140 D C 2.351 178.532 176.300 -0.198 0.000 0.993 140 D CA 3.924 57.724 54.000 -0.333 0.000 0.828 140 D CB -0.730 39.806 40.800 -0.440 0.000 0.968 140 D HN 0.161 7.488 8.370 -1.738 0.000 0.448 141 G N -0.071 108.591 108.800 -0.230 0.000 2.480 141 G HA2 -0.335 3.563 3.960 -0.103 0.000 0.216 141 G HA3 -0.335 3.548 3.960 -0.127 0.000 0.216 141 G C 0.968 175.835 174.900 -0.055 0.000 1.200 141 G CA 2.094 47.119 45.100 -0.124 0.000 0.782 141 G HN 0.242 8.324 8.290 -0.347 0.000 0.554 142 K N 2.152 122.533 120.400 -0.033 0.000 2.044 142 K HA -0.372 4.006 4.320 0.095 0.000 0.210 142 K C 2.089 178.804 176.600 0.192 0.000 1.049 142 K CA 2.741 59.086 56.287 0.097 0.000 0.927 142 K CB -0.522 32.035 32.500 0.094 0.000 0.713 142 K HN 0.204 8.410 8.250 -0.078 -0.003 0.443 143 L N 0.196 121.431 121.223 0.019 0.000 1.989 143 L HA -0.380 3.926 4.340 -0.057 0.000 0.211 143 L C 2.168 179.077 176.870 0.064 0.000 1.071 143 L CA 3.277 58.109 54.840 -0.012 0.000 0.749 143 L CB -0.587 41.424 42.059 -0.079 0.000 0.890 143 L HN 0.317 8.409 8.230 -0.049 0.109 0.431 144 S N -1.223 114.491 115.700 0.023 0.000 2.365 144 S HA -0.430 4.054 4.470 0.024 0.000 0.225 144 S C 2.658 177.285 174.600 0.045 0.000 1.039 144 S CA 4.137 62.350 58.200 0.022 0.000 1.033 144 S CB -0.630 62.564 63.200 -0.010 0.000 0.887 144 S HN 0.162 8.465 8.310 -0.011 0.000 0.447 145 N N 1.999 120.721 118.700 0.037 0.000 2.106 145 N HA -0.187 4.546 4.740 -0.011 0.000 0.188 145 N C 2.436 177.956 175.510 0.017 0.000 1.029 145 N CA 3.557 56.602 53.050 -0.008 0.000 0.848 145 N CB 0.226 38.663 38.487 -0.083 0.000 1.007 145 N HN -0.478 7.922 8.380 0.033 0.000 0.423 146 F N 0.845 120.803 119.950 0.013 0.000 2.069 146 F HA -0.539 4.076 4.527 0.147 0.000 0.298 146 F C 1.900 177.798 175.800 0.163 0.000 1.113 146 F CA 4.667 62.730 58.000 0.105 0.000 1.214 146 F CB -0.107 38.918 39.000 0.042 0.000 0.978 146 F HN 0.644 9.001 8.300 0.280 0.111 0.474 147 K N -1.165 119.395 120.400 0.267 0.000 2.044 147 K HA -0.451 3.961 4.320 0.152 0.000 0.210 147 K C 2.272 178.961 176.600 0.148 0.000 1.049 147 K CA 3.862 60.244 56.287 0.159 0.000 0.927 147 K CB -0.471 32.078 32.500 0.082 0.000 0.713 147 K HN 0.284 8.677 8.250 0.239 0.000 0.443 148 T N -0.306 114.324 114.554 0.126 0.000 2.652 148 T HA -0.401 4.005 4.350 0.094 0.000 0.267 148 T C 2.008 176.812 174.700 0.173 0.000 1.039 148 T CA 3.763 65.930 62.100 0.111 0.000 1.153 148 T CB -0.884 68.026 68.868 0.069 0.000 0.863 148 T HN -0.484 7.823 8.240 0.111 0.000 0.428 149 A N 0.218 123.170 122.820 0.220 0.000 1.898 149 A HA -0.227 4.275 4.320 0.304 0.000 0.216 149 A C 1.765 179.695 177.584 0.575 0.000 1.181 149 A CA 2.634 54.888 52.037 0.360 0.000 0.620 149 A CB -0.947 18.178 19.000 0.209 0.000 0.819 149 A HN -0.245 8.007 8.150 0.169 0.000 0.442 150 A N -1.750 121.341 122.820 0.452 0.000 1.877 150 A HA -0.379 3.616 4.320 -0.541 0.000 0.216 150 A C 1.499 179.115 177.584 0.054 0.000 1.186 150 A CA 2.702 54.731 52.037 -0.013 0.000 0.620 150 A CB -0.608 18.362 19.000 -0.050 0.000 0.822 150 A HN 0.367 8.674 8.150 0.445 0.109 0.443 151 E N -3.072 117.191 120.200 0.104 0.000 2.118 151 E HA -0.336 4.042 4.350 0.046 0.000 0.195 151 E C 3.281 179.939 176.600 0.097 0.000 0.992 151 E CA 2.635 59.082 56.400 0.078 0.000 0.804 151 E CB -0.206 29.536 29.700 0.070 0.000 0.741 151 E HN 0.155 8.483 8.360 0.129 0.109 0.458 152 S N 0.603 116.408 115.700 0.175 0.000 2.370 152 S HA -0.215 4.282 4.470 0.046 0.000 0.226 152 S C 0.976 175.600 174.600 0.040 0.000 1.033 152 S CA 3.351 61.641 58.200 0.150 0.000 1.011 152 S CB 0.279 63.665 63.200 0.311 0.000 0.852 152 S HN -0.454 7.978 8.310 0.219 0.009 0.457 153 F N -1.984 118.005 119.950 0.064 0.000 2.850 153 F HA 0.277 4.830 4.527 0.044 0.000 0.306 153 F C -1.713 174.063 175.800 -0.040 0.000 1.162 153 F CA -1.753 56.270 58.000 0.038 0.000 1.327 153 F CB 0.132 39.202 39.000 0.116 0.000 0.953 153 F HN -0.682 7.821 8.300 0.500 0.097 0.507 154 K N 0.057 120.501 120.400 0.072 0.000 2.447 154 K HA -0.076 4.243 4.320 -0.022 -0.011 0.281 154 K C 1.067 177.687 176.600 0.033 0.000 1.031 154 K CA 1.375 57.674 56.287 0.020 0.000 1.019 154 K CB -0.431 32.081 32.500 0.020 0.000 0.918 154 K HN -0.650 7.459 8.250 0.067 0.181 0.476 155 G N 3.677 112.497 108.800 0.034 0.000 2.176 155 G HA2 -0.351 3.660 3.960 0.085 0.000 0.253 155 G HA3 -0.351 3.654 3.960 0.076 0.000 0.253 155 G C -0.353 174.585 174.900 0.063 0.000 0.979 155 G CA 0.570 45.710 45.100 0.066 0.000 0.641 155 G HN 0.569 8.862 8.290 0.004 0.000 0.530 156 K N 0.228 120.666 120.400 0.064 0.000 2.424 156 K HA 0.363 4.722 4.320 0.065 0.000 0.200 156 K C -1.551 175.091 176.600 0.070 0.000 1.279 156 K CA 0.390 56.729 56.287 0.086 0.000 0.918 156 K CB 2.745 35.337 32.500 0.153 0.000 1.287 156 K HN -0.447 7.779 8.250 0.058 0.059 0.502 157 I N -2.887 117.714 120.570 0.053 0.000 2.841 157 I HA 0.650 5.057 4.170 0.017 -0.227 0.298 157 I C -2.345 173.678 176.117 -0.156 0.000 1.304 157 I CA -1.807 59.504 61.300 0.018 0.000 1.019 157 I CB 3.786 41.870 38.000 0.140 0.000 1.282 157 I HN -0.687 7.553 8.210 0.049 0.000 0.432 158 L N 1.907 123.090 121.223 -0.068 0.000 2.333 158 L HA 0.560 4.677 4.340 -0.371 0.000 0.280 158 L C -1.416 175.526 176.870 0.121 0.000 1.004 158 L CA -0.972 53.791 54.840 -0.128 0.000 0.820 158 L CB 1.421 43.465 42.059 -0.025 0.000 1.247 158 L HN -0.085 8.180 8.230 0.058 0.000 0.416 159 F N 2.233 122.307 119.950 0.207 0.000 2.424 159 F HA 0.325 5.130 4.527 0.254 -0.126 0.356 159 F C 0.305 176.272 175.800 0.279 0.000 1.110 159 F CA -2.625 55.557 58.000 0.302 0.000 1.161 159 F CB -0.412 38.881 39.000 0.489 0.000 1.115 159 F HN -0.201 7.878 8.300 -0.369 0.000 0.507 160 I N -2.568 118.232 120.570 0.382 0.000 2.648 160 I HA 0.484 4.735 4.170 0.034 -0.061 0.304 160 I C -1.872 174.376 176.117 0.219 0.000 1.009 160 I CA -1.744 59.639 61.300 0.137 0.000 1.114 160 I CB 2.759 40.750 38.000 -0.015 0.000 1.293 160 I HN 1.007 9.336 8.210 0.384 0.111 0.449 161 F N -1.493 118.442 119.950 -0.024 0.000 2.532 161 F HA 0.944 5.660 4.527 0.027 -0.173 0.321 161 F C -1.180 174.650 175.800 0.050 0.000 1.089 161 F CA -3.276 54.701 58.000 -0.038 0.000 0.926 161 F CB 2.674 41.541 39.000 -0.222 0.000 1.168 161 F HN -0.171 7.551 8.300 -0.964 0.000 0.459 162 I N -5.550 115.113 120.570 0.155 0.000 2.433 162 I HA 0.468 4.727 4.170 0.149 0.000 0.292 162 I C -2.176 173.971 176.117 0.051 0.000 1.001 162 I CA -1.870 59.489 61.300 0.099 0.000 1.119 162 I CB 3.148 41.126 38.000 -0.037 0.000 1.289 162 I HN 0.942 9.156 8.210 0.177 0.101 0.438 163 D N 6.927 127.364 120.400 0.062 0.000 2.317 163 D HA 0.185 4.898 4.640 -0.052 -0.105 0.252 163 D C 0.529 176.832 176.300 0.005 0.000 1.174 163 D CA -0.192 53.812 54.000 0.006 0.000 0.866 163 D CB 0.164 40.990 40.800 0.045 0.000 1.127 163 D HN 0.368 8.800 8.370 0.104 0.000 0.467 164 S N 5.493 121.115 115.700 -0.129 0.000 2.429 164 S HA -0.447 4.182 4.470 0.265 0.000 0.251 164 S C -0.052 174.661 174.600 0.188 0.000 1.104 164 S CA 3.740 61.957 58.200 0.028 0.000 1.130 164 S CB 0.302 63.436 63.200 -0.110 0.000 1.000 164 S HN 0.555 8.703 8.310 -0.271 0.000 0.449 165 D N -3.739 116.738 120.400 0.130 0.000 2.706 165 D HA -0.317 4.446 4.640 0.205 0.000 0.230 165 D C 0.145 176.610 176.300 0.275 0.000 1.184 165 D CA 1.321 55.435 54.000 0.191 0.000 0.628 165 D CB -1.355 39.524 40.800 0.132 0.000 1.019 165 D HN 0.319 8.714 8.370 0.059 0.009 0.415 166 H N -5.252 113.868 119.070 0.082 0.000 2.554 166 H HA -0.309 4.303 4.556 0.094 0.000 0.290 166 H C -0.293 175.067 175.328 0.055 0.000 1.058 166 H CA 1.914 58.010 56.048 0.079 0.000 1.224 166 H CB -1.413 28.395 29.762 0.077 0.000 1.359 166 H HN 0.464 8.978 8.280 0.399 0.006 0.589 167 T N -5.202 109.352 114.554 -0.000 0.000 3.146 167 T HA 0.007 4.234 4.350 -0.206 0.000 0.235 167 T C 1.792 176.488 174.700 -0.007 0.000 0.985 167 T CA 0.418 62.448 62.100 -0.116 0.000 1.265 167 T CB 0.967 69.763 68.868 -0.120 0.000 0.946 167 T HN -0.629 7.632 8.240 0.232 0.118 0.418 168 D N 0.804 121.227 120.400 0.039 0.000 2.277 168 D HA -0.059 4.598 4.640 0.028 0.000 0.208 168 D C 1.497 177.833 176.300 0.059 0.000 0.962 168 D CA 2.314 56.340 54.000 0.043 0.000 0.865 168 D CB 0.066 40.895 40.800 0.048 0.000 0.939 168 D HN 0.047 8.455 8.370 0.063 0.000 0.510 169 N N -0.615 118.132 118.700 0.079 0.000 2.421 169 N HA 0.010 4.791 4.740 0.070 0.000 0.201 169 N C 0.592 176.140 175.510 0.063 0.000 1.198 169 N CA -0.050 53.045 53.050 0.075 0.000 0.838 169 N CB -0.496 38.046 38.487 0.092 0.000 1.011 169 N HN 0.209 8.513 8.380 0.096 0.134 0.463 170 Q N -0.037 119.796 119.800 0.054 0.000 2.050 170 Q HA -0.385 3.984 4.340 0.049 0.000 0.202 170 Q C 1.744 177.778 176.000 0.057 0.000 0.980 170 Q CA 3.457 59.288 55.803 0.047 0.000 0.840 170 Q CB -0.543 28.211 28.738 0.027 0.000 0.898 170 Q HN -0.573 7.605 8.270 0.048 0.120 0.424 171 R N -0.795 119.741 120.500 0.061 0.000 2.091 171 R HA -0.269 4.118 4.340 0.079 0.000 0.238 171 R C 2.287 178.653 176.300 0.109 0.000 1.136 171 R CA 3.247 59.395 56.100 0.080 0.000 0.959 171 R CB -0.346 29.998 30.300 0.074 0.000 0.856 171 R HN -0.314 7.989 8.270 0.054 0.000 0.437 172 I N -1.411 119.209 120.570 0.083 0.000 2.208 172 I HA -0.475 3.746 4.170 0.085 0.000 0.245 172 I C 1.831 178.034 176.117 0.143 0.000 1.097 172 I CA 3.297 64.640 61.300 0.073 0.000 1.363 172 I CB -0.249 37.722 38.000 -0.049 0.000 1.051 172 I HN -0.294 7.947 8.210 0.066 0.009 0.413 173 L N -1.926 119.351 121.223 0.090 0.000 2.042 173 L HA -0.489 3.904 4.340 0.089 0.000 0.210 173 L C 2.206 179.158 176.870 0.138 0.000 1.076 173 L CA 3.510 58.407 54.840 0.094 0.000 0.749 173 L CB -0.804 41.283 42.059 0.047 0.000 0.893 173 L HN -0.485 7.782 8.230 0.063 0.000 0.432 174 E N -0.282 119.992 120.200 0.125 0.000 2.085 174 E HA -0.378 4.008 4.350 0.060 0.000 0.194 174 E C 2.711 179.391 176.600 0.133 0.000 0.994 174 E CA 3.096 59.557 56.400 0.103 0.000 0.801 174 E CB -0.181 29.575 29.700 0.093 0.000 0.743 174 E HN -0.529 7.810 8.360 0.113 0.089 0.453 175 F N 1.154 121.143 119.950 0.065 0.000 2.161 175 F HA -0.286 4.272 4.527 0.052 0.000 0.300 175 F C 0.819 176.684 175.800 0.109 0.000 1.089 175 F CA 2.855 60.903 58.000 0.080 0.000 1.282 175 F CB 0.314 39.374 39.000 0.101 0.000 1.010 175 F HN -0.531 7.976 8.300 0.346 0.000 0.485 176 F N -2.360 117.584 119.950 -0.010 0.000 2.780 176 F HA 0.034 4.334 4.527 -0.377 0.000 0.299 176 F C -0.299 175.399 175.800 -0.169 0.000 1.146 176 F CA 0.374 58.283 58.000 -0.152 0.000 1.428 176 F CB 0.544 39.544 39.000 0.001 0.000 1.115 176 F HN -0.654 7.832 8.300 0.470 0.097 0.583 177 G N -0.399 108.356 108.800 -0.075 0.000 2.295 177 G HA2 -0.367 3.550 3.960 -0.071 0.000 0.287 177 G HA3 -0.367 3.472 3.960 -0.201 0.000 0.287 177 G C -0.930 173.926 174.900 -0.073 0.000 1.055 177 G CA 0.429 45.460 45.100 -0.115 0.000 0.922 177 G HN -0.559 7.527 8.290 0.007 0.208 0.503 178 L N -1.043 120.191 121.223 0.017 0.000 2.365 178 L HA 0.318 4.652 4.340 -0.011 0.000 0.273 178 L C -1.511 175.366 176.870 0.012 0.000 1.000 178 L CA -0.232 54.621 54.840 0.021 0.000 0.819 178 L CB 2.027 44.136 42.059 0.083 0.000 1.284 178 L HN -0.254 8.013 8.230 0.062 0.000 0.418 179 K N 1.866 122.267 120.400 0.001 0.000 1.754 179 K HA 0.179 4.509 4.320 0.017 0.000 0.264 179 K C -0.008 176.601 176.600 0.014 0.000 0.932 179 K CA -2.109 54.183 56.287 0.009 0.000 0.833 179 K CB 0.540 33.043 32.500 0.005 0.000 2.355 179 K HN -0.076 8.171 8.250 -0.006 0.000 0.873 180 K N 0.438 120.850 120.400 0.020 0.000 2.162 180 K HA -0.426 3.917 4.320 0.038 0.000 0.219 180 K C 1.430 178.047 176.600 0.028 0.000 1.038 180 K CA 3.852 60.155 56.287 0.027 0.000 0.946 180 K CB -0.279 32.234 32.500 0.020 0.000 0.783 180 K HN 0.305 8.565 8.250 0.017 0.000 0.470 181 E N -4.863 115.346 120.200 0.016 0.000 2.482 181 E HA -0.213 4.151 4.350 0.024 0.000 0.200 181 E C 0.197 176.803 176.600 0.010 0.000 1.147 181 E CA 0.799 57.208 56.400 0.015 0.000 0.912 181 E CB -1.377 28.326 29.700 0.005 0.000 0.938 181 E HN 0.199 8.558 8.360 0.009 0.006 0.519 182 E N 0.394 120.599 120.200 0.009 0.000 1.858 182 E HA -0.081 4.206 4.350 -0.106 0.000 0.278 182 E C -0.204 176.420 176.600 0.040 0.000 1.172 182 E CA -0.170 56.210 56.400 -0.033 0.000 1.127 182 E CB -1.551 28.142 29.700 -0.012 0.000 1.084 182 E HN 0.018 8.149 8.360 0.023 0.242 0.455 183 C N 3.213 122.544 119.300 0.051 0.000 2.407 183 C HA 0.294 4.904 4.460 0.251 0.000 0.366 183 C C -1.391 173.804 174.990 0.342 0.000 1.213 183 C CA -2.905 56.227 59.018 0.189 0.000 2.011 183 C CB 0.254 28.065 27.740 0.117 0.000 2.306 183 C HN 0.020 8.218 8.230 0.002 0.033 0.527 184 P HA -0.198 4.751 4.420 0.882 0.000 0.264 184 P C -1.423 176.091 177.300 0.358 0.000 1.179 184 P CA 0.618 64.019 63.100 0.500 0.000 0.763 184 P CB -0.046 31.768 31.700 0.190 0.000 0.806 185 A N 3.074 126.144 122.820 0.417 0.000 2.566 185 A HA 0.360 4.804 4.320 0.207 0.000 0.290 185 A C -2.719 175.012 177.584 0.245 0.000 1.071 185 A CA -0.106 52.077 52.037 0.243 0.000 0.658 185 A CB 2.729 21.816 19.000 0.144 0.000 1.285 185 A HN -0.206 8.337 8.150 0.655 0.000 0.427 186 V N -0.500 119.559 119.914 0.241 0.000 2.495 186 V HA 0.311 4.557 4.120 0.210 0.000 0.298 186 V C -1.659 174.528 176.094 0.156 0.000 1.031 186 V CA -1.108 61.342 62.300 0.249 0.000 0.871 186 V CB 1.744 33.805 31.823 0.396 0.000 0.988 186 V HN 0.318 8.664 8.190 0.261 0.000 0.432 187 R N 6.718 127.254 120.500 0.060 0.000 2.621 187 R HA 0.452 4.905 4.340 0.023 -0.099 0.292 187 R C -2.467 173.823 176.300 -0.017 0.000 0.969 187 R CA -2.083 54.023 56.100 0.010 0.000 0.887 187 R CB 4.385 34.663 30.300 -0.037 0.000 1.180 187 R HN 0.731 9.051 8.270 0.083 0.000 0.450 188 L N 3.942 125.146 121.223 -0.032 0.000 2.346 188 L HA 0.363 4.726 4.340 0.039 0.000 0.274 188 L C -1.885 175.095 176.870 0.184 0.000 1.007 188 L CA -1.929 52.917 54.840 0.010 0.000 0.818 188 L CB 2.110 44.053 42.059 -0.192 0.000 1.284 188 L HN 0.243 8.392 8.230 0.033 0.100 0.424 189 I N 0.434 121.134 120.570 0.217 0.000 2.608 189 I HA 0.380 4.728 4.170 0.297 0.000 0.295 189 I C -0.794 175.509 176.117 0.309 0.000 1.049 189 I CA -0.876 60.600 61.300 0.293 0.000 1.063 189 I CB 3.464 41.623 38.000 0.265 0.000 1.248 189 I HN 0.665 8.996 8.210 0.202 0.000 0.424 190 T N 3.405 118.103 114.554 0.241 0.000 2.932 190 T HA 0.456 4.808 4.350 0.004 0.000 0.289 190 T C -1.681 173.061 174.700 0.069 0.000 1.039 190 T CA -2.214 59.938 62.100 0.088 0.000 1.024 190 T CB 2.238 71.139 68.868 0.056 0.000 1.090 190 T HN 0.160 8.562 8.240 0.270 0.000 0.496 191 L N 1.690 122.901 121.223 -0.021 0.000 2.543 191 L HA 0.438 4.950 4.340 0.021 -0.160 0.265 191 L C -1.938 174.916 176.870 -0.028 0.000 0.945 191 L CA -0.363 54.465 54.840 -0.021 0.000 0.869 191 L CB 2.389 44.401 42.059 -0.078 0.000 1.294 191 L HN 0.565 8.751 8.230 -0.074 0.000 0.405 192 E N 2.503 122.703 120.200 0.000 0.000 2.515 192 E HA -0.055 4.295 4.350 0.001 0.000 0.289 192 E C -0.427 176.183 176.600 0.018 0.000 1.085 192 E CA 0.976 57.379 56.400 0.005 0.000 2.145 192 E CB 0.949 30.650 29.700 0.001 0.000 2.346 192 E HN 0.149 8.518 8.360 0.015 0.000 1.120 193 E N -0.693 119.523 120.200 0.026 0.000 2.431 193 E HA -0.003 4.361 4.350 0.023 0.000 0.200 193 E C -0.635 175.982 176.600 0.029 0.000 0.995 193 E CA 0.776 57.192 56.400 0.027 0.000 0.915 193 E CB 0.945 30.663 29.700 0.030 0.000 0.930 193 E HN 0.147 8.526 8.360 0.031 0.000 0.496 194 E N -2.396 117.826 120.200 0.037 0.000 2.439 194 E HA 0.162 4.532 4.350 0.033 0.000 0.279 194 E C -2.360 174.276 176.600 0.060 0.000 1.077 194 E CA -0.696 55.729 56.400 0.042 0.000 0.849 194 E CB 3.148 32.870 29.700 0.037 0.000 1.408 194 E HN -0.617 7.768 8.360 0.042 0.000 0.457 195 M N 2.587 122.228 119.600 0.068 0.000 2.289 195 M HA 0.280 4.821 4.480 0.102 0.000 0.354 195 M C -0.917 175.465 176.300 0.137 0.000 1.210 195 M CA -0.915 54.443 55.300 0.097 0.000 1.174 195 M CB 0.278 32.924 32.600 0.078 0.000 1.297 195 M HN 0.217 8.541 8.290 0.057 0.000 0.423 196 T N 3.252 117.906 114.554 0.166 0.000 2.855 196 T HA 0.386 4.860 4.350 0.206 0.000 0.281 196 T C -1.565 173.284 174.700 0.250 0.000 1.007 196 T CA -1.827 60.397 62.100 0.207 0.000 1.009 196 T CB 2.065 71.055 68.868 0.202 0.000 0.983 196 T HN -0.119 8.218 8.240 0.161 0.000 0.455 197 K N 2.735 123.285 120.400 0.249 0.000 2.156 197 K HA 0.272 4.768 4.320 0.293 0.000 0.250 197 K C -2.338 174.411 176.600 0.249 0.000 0.955 197 K CA -1.234 55.216 56.287 0.272 0.000 0.855 197 K CB 2.033 34.718 32.500 0.307 0.000 1.101 197 K HN 0.260 8.647 8.250 0.228 0.000 0.434 198 Y N 2.263 122.637 120.300 0.123 0.000 2.341 198 Y HA 0.132 4.693 4.550 0.019 0.000 0.338 198 Y C -2.239 173.655 175.900 -0.010 0.000 0.965 198 Y CA -1.718 56.394 58.100 0.019 0.000 1.108 198 Y CB 3.466 41.897 38.460 -0.048 0.000 1.180 198 Y HN 0.847 9.245 8.280 0.336 0.083 0.458 199 K N 7.482 127.798 120.400 -0.140 0.000 2.123 199 K HA 0.377 4.842 4.320 0.241 0.000 0.259 199 K C -1.825 174.818 176.600 0.071 0.000 0.960 199 K CA -3.619 52.703 56.287 0.058 0.000 0.872 199 K CB -0.451 32.053 32.500 0.007 0.000 1.079 199 K HN -0.007 7.906 8.250 -0.562 0.000 0.440 200 P HA 0.095 4.990 4.420 0.791 0.000 0.282 200 P C -1.140 176.343 177.300 0.304 0.000 1.286 200 P CA -0.663 62.700 63.100 0.437 0.000 0.777 200 P CB 0.863 32.795 31.700 0.386 0.000 1.184 201 E N -0.236 120.157 120.200 0.322 0.000 3.541 201 E HA -0.009 4.412 4.350 0.118 0.000 0.275 201 E C -0.635 176.035 176.600 0.116 0.000 1.217 201 E CA 0.096 56.599 56.400 0.171 0.000 1.883 201 E CB 0.700 30.495 29.700 0.158 0.000 1.954 201 E HN 0.207 8.816 8.360 0.415 0.000 0.889 202 S N 1.964 117.719 115.700 0.092 0.000 2.603 202 S HA 0.058 4.544 4.470 0.026 0.000 0.268 202 S C -0.716 173.886 174.600 0.003 0.000 1.317 202 S CA -0.261 57.953 58.200 0.025 0.000 1.012 202 S CB 1.053 64.245 63.200 -0.013 0.000 0.926 202 S HN -0.087 8.297 8.310 0.123 0.000 0.539 203 E N 3.759 123.953 120.200 -0.010 0.000 2.114 203 E HA 0.267 4.608 4.350 -0.014 0.000 0.266 203 E C -1.491 175.082 176.600 -0.045 0.000 0.896 203 E CA -0.468 55.923 56.400 -0.016 0.000 0.750 203 E CB 1.190 30.893 29.700 0.005 0.000 1.121 203 E HN 0.217 8.572 8.360 -0.008 0.000 0.413 204 E N 5.663 125.818 120.200 -0.075 0.000 3.880 204 E HA -0.003 4.305 4.350 -0.069 0.000 0.303 204 E C -1.329 175.224 176.600 -0.078 0.000 0.829 204 E CA -0.519 55.829 56.400 -0.087 0.000 1.350 204 E CB 0.945 30.568 29.700 -0.128 0.000 2.520 204 E HN 0.186 8.494 8.360 -0.086 0.000 0.506 205 L N -1.454 119.709 121.223 -0.100 0.000 2.354 205 L HA 0.419 4.717 4.340 -0.070 0.000 0.264 205 L C 0.577 177.380 176.870 -0.111 0.000 1.008 205 L CA -1.549 53.236 54.840 -0.091 0.000 0.819 205 L CB 3.087 45.093 42.059 -0.088 0.000 1.339 205 L HN -0.303 7.851 8.230 -0.126 0.000 0.420 206 T N 5.520 120.015 114.554 -0.098 0.000 2.427 206 T HA -0.542 3.754 4.350 -0.090 0.000 0.244 206 T C 1.154 175.737 174.700 -0.196 0.000 1.325 206 T CA 4.700 66.728 62.100 -0.120 0.000 1.173 206 T CB 0.017 68.820 68.868 -0.109 0.000 0.859 206 T HN 0.539 8.732 8.240 -0.078 0.000 0.415 207 A N -1.394 121.294 122.820 -0.219 0.000 1.902 207 A HA -0.289 3.799 4.320 -0.386 0.000 0.217 207 A C 2.167 179.609 177.584 -0.237 0.000 1.181 207 A CA 3.440 55.313 52.037 -0.274 0.000 0.623 207 A CB -1.156 17.712 19.000 -0.219 0.000 0.818 207 A HN 0.543 8.586 8.150 -0.179 0.000 0.443 208 E N -1.691 118.399 120.200 -0.184 0.000 2.160 208 E HA -0.303 3.948 4.350 -0.166 0.000 0.195 208 E C 3.189 179.649 176.600 -0.234 0.000 0.991 208 E CA 3.180 59.473 56.400 -0.178 0.000 0.810 208 E CB -0.695 28.919 29.700 -0.143 0.000 0.742 208 E HN 0.286 8.550 8.360 -0.159 0.000 0.466 209 R N -1.930 118.423 120.500 -0.244 0.000 2.057 209 R HA -0.223 3.861 4.340 -0.427 0.000 0.229 209 R C 2.637 178.714 176.300 -0.370 0.000 1.136 209 R CA 3.387 59.288 56.100 -0.332 0.000 0.952 209 R CB 0.196 30.376 30.300 -0.200 0.000 0.848 209 R HN 0.407 8.323 8.270 -0.205 0.230 0.430 210 I N -3.114 117.312 120.570 -0.240 0.000 2.202 210 I HA -0.315 3.888 4.170 0.055 0.000 0.242 210 I C 1.719 177.674 176.117 -0.269 0.000 1.091 210 I CA 3.755 64.930 61.300 -0.208 0.000 1.368 210 I CB -0.648 37.088 38.000 -0.441 0.000 1.058 210 I HN -0.541 7.518 8.210 -0.251 0.000 0.410 211 T N 1.213 115.578 114.554 -0.315 0.000 2.833 211 T HA -0.409 3.737 4.350 -0.341 0.000 0.269 211 T C 2.000 176.613 174.700 -0.145 0.000 1.054 211 T CA 4.944 66.893 62.100 -0.253 0.000 1.135 211 T CB -0.915 67.846 68.868 -0.178 0.000 0.869 211 T HN 0.538 8.475 8.240 -0.323 0.109 0.466 212 E N 1.804 121.886 120.200 -0.196 0.000 2.106 212 E HA -0.261 4.022 4.350 -0.111 0.000 0.192 212 E C 1.793 178.328 176.600 -0.107 0.000 0.984 212 E CA 2.995 59.284 56.400 -0.184 0.000 0.806 212 E CB -0.372 29.144 29.700 -0.307 0.000 0.750 212 E HN -0.527 7.565 8.360 -0.257 0.114 0.458 213 F N 0.016 119.900 119.950 -0.111 0.000 2.075 213 F HA -0.234 4.187 4.527 -0.176 0.000 0.297 213 F C 2.110 177.867 175.800 -0.072 0.000 1.113 213 F CA 2.928 60.833 58.000 -0.158 0.000 1.218 213 F CB -0.649 38.210 39.000 -0.236 0.000 0.984 213 F HN -0.554 7.509 8.300 -0.213 0.109 0.472 214 C N -0.844 118.533 119.300 0.129 0.000 2.393 214 C HA -0.591 3.971 4.460 0.170 0.000 0.276 214 C C 2.015 177.100 174.990 0.157 0.000 1.215 214 C CA 5.675 64.744 59.018 0.085 0.000 1.743 214 C CB -0.910 26.721 27.740 -0.181 0.000 2.044 214 C HN -0.312 7.951 8.230 0.056 0.000 0.464 215 H N 0.106 119.209 119.070 0.055 0.000 2.319 215 H HA -0.439 4.219 4.556 0.171 0.000 0.297 215 H C 2.007 177.411 175.328 0.125 0.000 1.097 215 H CA 4.719 60.834 56.048 0.111 0.000 1.285 215 H CB 0.027 29.830 29.762 0.067 0.000 1.368 215 H HN -0.488 7.892 8.280 0.166 0.000 0.495 216 R N -1.712 118.934 120.500 0.243 0.000 2.091 216 R HA -0.313 4.331 4.340 0.171 -0.201 0.238 216 R C 2.344 178.737 176.300 0.156 0.000 1.136 216 R CA 2.460 58.660 56.100 0.167 0.000 0.959 216 R CB -0.953 29.420 30.300 0.121 0.000 0.856 216 R HN -0.504 7.900 8.270 0.223 0.000 0.437 217 F N 0.013 120.012 119.950 0.082 0.000 2.075 217 F HA -0.244 4.334 4.527 0.086 0.000 0.297 217 F C 2.454 178.291 175.800 0.063 0.000 1.113 217 F CA 2.853 60.895 58.000 0.068 0.000 1.218 217 F CB -0.180 38.846 39.000 0.042 0.000 0.984 217 F HN -0.398 7.990 8.300 0.288 0.085 0.472 218 L N -1.653 119.744 121.223 0.292 0.000 2.362 218 L HA -0.306 4.133 4.340 0.166 0.000 0.219 218 L C 1.252 178.185 176.870 0.106 0.000 1.134 218 L CA 2.227 57.160 54.840 0.155 0.000 0.807 218 L CB -0.120 41.990 42.059 0.085 0.000 0.927 218 L HN 0.044 8.440 8.230 0.277 0.000 0.447 219 E N -3.128 117.144 120.200 0.119 0.000 2.512 219 E HA -0.043 4.355 4.350 0.079 0.000 0.195 219 E C 0.241 176.904 176.600 0.105 0.000 1.083 219 E CA -0.066 56.398 56.400 0.106 0.000 0.873 219 E CB 0.060 29.847 29.700 0.144 0.000 0.897 219 E HN -0.402 7.875 8.360 0.155 0.176 0.514 220 G N -0.478 108.399 108.800 0.128 0.000 2.221 220 G HA2 -0.411 3.634 3.960 0.142 0.000 0.265 220 G HA3 -0.411 3.604 3.960 0.092 0.000 0.265 220 G C -0.067 174.888 174.900 0.092 0.000 1.041 220 G CA 0.652 45.821 45.100 0.115 0.000 0.807 220 G HN -0.408 7.873 8.290 0.162 0.106 0.502 221 K N -0.739 119.710 120.400 0.081 0.000 2.136 221 K HA -0.031 4.316 4.320 0.044 0.000 0.237 221 K C 0.885 177.492 176.600 0.011 0.000 1.048 221 K CA 0.042 56.350 56.287 0.034 0.000 0.880 221 K CB 0.936 33.440 32.500 0.007 0.000 1.105 221 K HN -0.739 7.558 8.250 0.107 0.017 0.507 222 I N -2.083 118.485 120.570 -0.003 0.000 3.211 222 I HA 0.096 4.277 4.170 0.019 0.000 0.297 222 I C -0.438 175.655 176.117 -0.039 0.000 1.095 222 I CA 0.012 61.310 61.300 -0.002 0.000 1.239 222 I CB 0.580 38.583 38.000 0.005 0.000 1.455 222 I HN -0.240 7.973 8.210 0.005 0.000 0.630 223 K N 1.403 121.800 120.400 -0.006 0.000 2.249 223 K HA 0.195 4.501 4.320 -0.022 0.000 0.280 223 K C -0.491 176.105 176.600 -0.007 0.000 1.033 223 K CA -1.421 54.870 56.287 0.006 0.000 0.946 223 K CB -0.185 32.344 32.500 0.047 0.000 1.005 223 K HN 0.065 8.321 8.250 0.011 0.000 0.469 224 P HA -0.027 4.258 4.420 -0.224 0.000 0.196 224 P C 0.505 177.789 177.300 -0.026 0.000 1.105 224 P CA 1.038 64.049 63.100 -0.147 0.000 0.866 224 P CB 0.617 32.133 31.700 -0.306 0.000 0.706 225 H N -2.070 116.927 119.070 -0.122 0.000 2.828 225 H HA -0.389 4.130 4.556 -0.062 0.000 0.088 225 H C -0.741 174.503 175.328 -0.140 0.000 0.590 225 H CA 2.724 58.717 56.048 -0.092 0.000 1.697 225 H CB -0.862 28.868 29.762 -0.054 0.000 1.949 225 H HN -0.273 8.029 8.280 0.036 0.000 0.926 226 L N -3.574 117.560 121.223 -0.148 0.000 2.357 226 L HA 0.224 4.397 4.340 -0.277 0.000 0.244 226 L C -1.547 175.244 176.870 -0.133 0.000 1.115 226 L CA -1.294 53.417 54.840 -0.214 0.000 0.919 226 L CB 2.667 44.595 42.059 -0.218 0.000 1.532 226 L HN -0.043 8.177 8.230 0.039 0.034 0.416 227 M N 0.550 120.076 119.600 -0.122 0.000 2.363 227 M HA 0.266 4.694 4.480 -0.086 0.000 0.343 227 M C -0.259 176.007 176.300 -0.056 0.000 1.165 227 M CA -0.218 55.030 55.300 -0.087 0.000 1.046 227 M CB 0.851 33.400 32.600 -0.086 0.000 1.648 227 M HN 0.005 8.212 8.290 -0.138 0.000 0.452 228 S N 0.000 115.677 115.700 -0.038 0.000 2.498 228 S HA 0.000 4.455 4.470 -0.024 0.000 0.327 228 S CA 0.000 58.185 58.200 -0.024 0.000 1.107 228 S CB 0.000 63.191 63.200 -0.014 0.000 0.593 228 S HN 0.000 8.287 8.310 -0.038 0.000 0.517