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 1f5x_16_A DATA FIRST_RESID 1 DATA SEQUENCE MKGDEIYEDL MRLESVPTPP KMTEYDKRCC CLREIQQTEE KYTDTLGSIQ DATA SEQUENCE QHFMKPLQRF LKPQDMETIF VNIEELFSVH THFLKELKDA LAGPGATTLY DATA SEQUENCE QVFIKYKERF LVYGRYCSQV ESASKHLDQV ATAREDVQMK LEECSQRANN DATA SEQUENCE GRFTLRDLLM VPMQRVLKYH LLLQELVKHT QDATEKENLR LALDAMRDLA DATA SEQUENCE QCVNEVKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.458 4.480 -0.037 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 K N -0.446 119.910 120.400 -0.072 0.000 2.211 2 K HA 0.037 4.323 4.320 -0.057 0.000 0.201 2 K C 1.251 177.767 176.600 -0.140 0.000 1.052 2 K CA 1.370 57.608 56.287 -0.081 0.000 0.973 2 K CB 0.682 33.140 32.500 -0.071 0.000 0.766 2 K HN -0.014 8.317 8.250 -0.071 -0.124 0.466 3 G N -1.818 106.869 108.800 -0.189 0.000 2.850 3 G HA2 0.186 3.913 3.960 -0.389 0.000 0.211 3 G HA3 0.186 3.935 3.960 -0.352 0.000 0.211 3 G C -0.402 174.288 174.900 -0.349 0.000 1.124 3 G CA 0.016 44.918 45.100 -0.331 0.000 0.769 3 G HN -0.116 8.405 8.290 -0.151 -0.323 0.535 4 D N 1.074 121.356 120.400 -0.197 0.000 2.092 4 D HA -0.347 4.228 4.640 -0.107 0.000 0.193 4 D C 1.345 177.566 176.300 -0.132 0.000 0.994 4 D CA 4.202 58.124 54.000 -0.130 0.000 0.828 4 D CB 0.361 41.116 40.800 -0.075 0.000 0.963 4 D HN -0.523 7.866 8.370 -0.154 -0.112 0.450 5 E N -1.608 118.520 120.200 -0.120 0.000 2.268 5 E HA -0.294 4.173 4.350 -0.039 -0.140 0.195 5 E C 1.841 178.331 176.600 -0.182 0.000 0.995 5 E CA 2.703 59.057 56.400 -0.076 0.000 0.836 5 E CB -0.244 29.453 29.700 -0.006 0.000 0.763 5 E HN 0.024 8.318 8.360 -0.109 0.000 0.491 6 I N -0.300 120.004 120.570 -0.443 0.000 2.072 6 I HA -0.521 2.522 4.170 -1.879 0.000 0.235 6 I C 1.941 177.529 176.117 -0.882 0.000 1.058 6 I CA 3.885 64.502 61.300 -1.138 0.000 1.320 6 I CB -0.199 37.154 38.000 -1.078 0.000 1.047 6 I HN -0.668 7.172 8.210 -0.371 0.148 0.397 7 Y N -2.250 117.733 120.300 -0.528 0.000 2.139 7 Y HA -0.549 3.784 4.550 -0.362 0.000 0.282 7 Y C 2.629 178.405 175.900 -0.205 0.000 1.179 7 Y CA 1.970 59.859 58.100 -0.352 0.000 1.161 7 Y CB -1.405 36.871 38.460 -0.306 0.000 0.970 7 Y HN -0.689 7.183 8.280 -0.680 0.000 0.511 8 E N -0.359 119.837 120.200 -0.007 0.000 2.013 8 E HA -0.375 4.181 4.350 0.028 -0.189 0.202 8 E C 2.896 179.538 176.600 0.071 0.000 1.018 8 E CA 2.759 59.173 56.400 0.024 0.000 0.834 8 E CB -0.099 29.610 29.700 0.014 0.000 0.770 8 E HN -0.866 7.447 8.360 -0.058 0.012 0.459 9 D N -1.533 118.943 120.400 0.126 0.000 2.312 9 D HA -0.121 4.622 4.640 0.172 0.000 0.211 9 D C 2.214 178.736 176.300 0.369 0.000 0.964 9 D CA 2.314 56.469 54.000 0.258 0.000 0.877 9 D CB 0.012 41.046 40.800 0.391 0.000 0.924 9 D HN -0.533 7.890 8.370 0.088 0.000 0.515 10 L N -1.802 119.601 121.223 0.301 0.000 2.043 10 L HA -0.350 4.373 4.340 0.639 0.000 0.212 10 L C -0.151 176.855 176.870 0.227 0.000 1.075 10 L CA 2.791 57.824 54.840 0.322 0.000 0.752 10 L CB 0.365 42.482 42.059 0.097 0.000 0.891 10 L HN 0.096 8.128 8.230 0.062 0.236 0.432 11 M N -8.232 111.456 119.600 0.147 0.000 1.388 11 M HA -0.128 4.415 4.480 0.106 0.000 0.168 11 M C -1.338 175.003 176.300 0.068 0.000 0.931 11 M CA 0.967 56.331 55.300 0.107 0.000 0.640 11 M CB 0.843 33.508 32.600 0.108 0.000 1.665 11 M HN -0.814 7.551 8.290 0.124 0.000 0.643 12 R N -1.159 119.368 120.500 0.046 0.000 2.527 12 R HA 0.231 4.584 4.340 0.021 0.000 0.243 12 R C 1.252 177.554 176.300 0.003 0.000 1.206 12 R CA -1.034 55.074 56.100 0.014 0.000 1.134 12 R CB 1.481 31.773 30.300 -0.014 0.000 1.347 12 R HN -0.135 8.166 8.270 0.051 0.000 0.580 13 L N -3.146 118.069 121.223 -0.014 0.000 3.470 13 L HA -0.404 3.918 4.340 -0.031 0.000 0.128 13 L C 0.959 177.831 176.870 0.003 0.000 4.405 13 L CA 2.970 57.798 54.840 -0.019 0.000 0.603 13 L CB -1.518 40.525 42.059 -0.027 0.000 3.528 13 L HN 0.558 8.777 8.230 -0.018 0.000 0.821 14 E N -0.738 119.473 120.200 0.018 0.000 2.204 14 E HA -0.214 4.151 4.350 0.026 0.000 0.195 14 E C 0.071 176.690 176.600 0.032 0.000 0.990 14 E CA 1.851 58.269 56.400 0.030 0.000 0.821 14 E CB 0.415 30.142 29.700 0.045 0.000 0.750 14 E HN -0.186 8.131 8.360 0.022 0.056 0.477 15 S N -2.387 113.331 115.700 0.031 0.000 2.524 15 S HA 0.168 4.657 4.470 0.031 0.000 0.227 15 S C -1.363 173.252 174.600 0.025 0.000 1.304 15 S CA -1.195 57.024 58.200 0.031 0.000 1.185 15 S CB 0.354 63.576 63.200 0.035 0.000 1.104 15 S HN -0.394 7.903 8.310 0.029 0.030 0.475 16 V N 6.892 126.819 119.914 0.022 0.000 2.318 16 V HA 0.221 4.349 4.120 0.014 0.000 0.271 16 V C -1.499 174.607 176.094 0.020 0.000 1.030 16 V CA -3.976 58.334 62.300 0.017 0.000 0.844 16 V CB -0.181 31.649 31.823 0.011 0.000 1.015 16 V HN -0.657 7.741 8.190 0.025 -0.194 0.460 17 P HA 0.158 4.590 4.420 0.020 0.000 0.280 17 P C -0.911 176.399 177.300 0.016 0.000 1.386 17 P CA -0.331 62.780 63.100 0.018 0.000 0.899 17 P CB -0.807 30.904 31.700 0.018 0.000 1.098 18 T N 4.328 118.893 114.554 0.018 0.000 2.791 18 T HA 0.369 4.728 4.350 0.015 0.000 0.288 18 T C -1.676 173.033 174.700 0.016 0.000 0.999 18 T CA -3.117 58.994 62.100 0.017 0.000 0.952 18 T CB -0.036 68.844 68.868 0.021 0.000 0.938 18 T HN -0.351 7.901 8.240 0.020 0.000 0.444 19 P HA -0.050 4.377 4.420 0.012 0.000 0.278 19 P C -1.424 175.883 177.300 0.012 0.000 1.268 19 P CA -0.975 62.133 63.100 0.012 0.000 0.813 19 P CB -0.569 31.137 31.700 0.010 0.000 1.180 20 P HA -0.195 4.231 4.420 0.011 0.000 0.219 20 P C -0.852 176.455 177.300 0.012 0.000 1.144 20 P CA 1.421 64.528 63.100 0.010 0.000 0.806 20 P CB 0.354 32.059 31.700 0.008 0.000 0.771 21 K N -0.725 119.682 120.400 0.012 0.000 2.130 21 K HA -0.035 4.293 4.320 0.014 0.000 0.268 21 K C -0.308 176.302 176.600 0.016 0.000 0.983 21 K CA -0.530 55.765 56.287 0.013 0.000 0.893 21 K CB 0.759 33.266 32.500 0.011 0.000 1.066 21 K HN -0.551 7.653 8.250 0.011 0.053 0.450 22 M N 0.352 119.963 119.600 0.019 0.000 7.318 22 M HA -0.324 4.172 4.480 0.026 0.000 0.157 22 M C -2.066 174.253 176.300 0.031 0.000 0.481 22 M CA 1.273 56.587 55.300 0.024 0.000 1.311 22 M CB 0.354 32.965 32.600 0.018 0.000 0.422 22 M HN 0.254 8.555 8.290 0.019 0.000 0.190 23 T N -0.395 114.184 114.554 0.042 0.000 2.909 23 T HA 0.284 4.662 4.350 0.047 0.000 0.299 23 T C 0.106 174.846 174.700 0.067 0.000 1.073 23 T CA -0.714 61.421 62.100 0.058 0.000 0.999 23 T CB 2.843 71.758 68.868 0.078 0.000 1.098 23 T HN -0.038 8.226 8.240 0.041 0.000 0.477 24 E N 6.257 126.500 120.200 0.071 0.000 2.130 24 E HA -0.432 3.939 4.350 0.036 0.000 0.196 24 E C 0.695 177.345 176.600 0.084 0.000 0.998 24 E CA 3.461 59.900 56.400 0.065 0.000 0.806 24 E CB -0.005 29.736 29.700 0.068 0.000 0.738 24 E HN 0.772 9.171 8.360 0.066 0.000 0.459 25 Y N -2.572 117.725 120.300 -0.004 0.000 2.574 25 Y HA -0.162 4.383 4.550 -0.007 0.000 0.294 25 Y C 0.903 176.798 175.900 -0.008 0.000 1.142 25 Y CA 1.122 59.219 58.100 -0.006 0.000 1.314 25 Y CB -0.160 38.298 38.460 -0.003 0.000 0.991 25 Y HN -0.249 8.158 8.280 0.234 0.013 0.555 26 D N -0.279 120.160 120.400 0.064 0.000 2.350 26 D HA -0.233 4.429 4.640 0.037 0.000 0.216 26 D C 0.991 177.255 176.300 -0.060 0.000 0.968 26 D CA 2.002 56.011 54.000 0.014 0.000 0.894 26 D CB -0.421 40.398 40.800 0.031 0.000 0.909 26 D HN 0.325 8.535 8.370 0.096 0.217 0.520 27 K N -2.558 117.785 120.400 -0.096 0.000 2.228 27 K HA -0.468 3.808 4.320 -0.073 0.000 0.205 27 K C 1.608 178.124 176.600 -0.139 0.000 1.045 27 K CA 2.548 58.769 56.287 -0.110 0.000 0.931 27 K CB -0.468 31.959 32.500 -0.122 0.000 0.727 27 K HN -0.653 7.486 8.250 -0.084 0.061 0.458 28 R N -1.107 119.273 120.500 -0.201 0.000 2.096 28 R HA -0.310 3.913 4.340 -0.195 0.000 0.229 28 R C 2.492 178.706 176.300 -0.142 0.000 1.134 28 R CA 3.145 59.126 56.100 -0.198 0.000 0.917 28 R CB -0.585 29.568 30.300 -0.245 0.000 0.832 28 R HN -0.724 7.351 8.270 -0.255 0.042 0.430 29 C N -1.468 117.769 119.300 -0.104 0.000 2.446 29 C HA -0.213 4.177 4.460 -0.117 0.000 0.279 29 C C 1.365 176.335 174.990 -0.034 0.000 1.366 29 C CA 2.311 61.289 59.018 -0.066 0.000 1.763 29 C CB -0.643 27.096 27.740 -0.003 0.000 1.929 29 C HN 0.246 8.423 8.230 -0.089 0.000 0.509 30 C N -0.988 118.288 119.300 -0.039 0.000 2.576 30 C HA -0.122 4.332 4.460 -0.010 0.000 0.267 30 C C 0.203 175.174 174.990 -0.032 0.000 1.364 30 C CA 1.997 60.999 59.018 -0.025 0.000 1.723 30 C CB -0.990 26.736 27.740 -0.023 0.000 1.778 30 C HN 0.729 8.724 8.230 -0.054 0.203 0.572 31 C N 1.172 120.443 119.300 -0.050 0.000 2.347 31 C HA -0.486 3.976 4.460 -0.059 -0.037 0.270 31 C C 1.608 176.588 174.990 -0.016 0.000 1.145 31 C CA 4.995 63.986 59.018 -0.045 0.000 1.802 31 C CB -0.363 27.346 27.740 -0.052 0.000 2.084 31 C HN -0.444 7.551 8.230 -0.067 0.195 0.446 32 L N -1.073 120.150 121.223 0.001 0.000 1.943 32 L HA -0.355 4.011 4.340 0.044 0.000 0.215 32 L C 2.012 178.890 176.870 0.013 0.000 1.074 32 L CA 3.484 58.337 54.840 0.021 0.000 0.759 32 L CB -0.593 41.477 42.059 0.018 0.000 0.888 32 L HN 0.041 8.265 8.230 -0.004 0.004 0.433 33 R N -2.512 117.988 120.500 0.000 0.000 2.170 33 R HA -0.445 3.890 4.340 -0.007 0.000 0.242 33 R C 1.782 178.076 176.300 -0.010 0.000 1.145 33 R CA 3.050 59.146 56.100 -0.006 0.000 0.984 33 R CB -1.205 29.090 30.300 -0.008 0.000 0.869 33 R HN -0.050 8.220 8.270 -0.000 0.000 0.455 34 E N -0.502 119.688 120.200 -0.017 0.000 2.106 34 E HA -0.120 4.211 4.350 -0.031 0.000 0.192 34 E C 2.530 179.112 176.600 -0.030 0.000 0.984 34 E CA 2.379 58.760 56.400 -0.031 0.000 0.806 34 E CB -0.573 29.097 29.700 -0.049 0.000 0.750 34 E HN -0.038 8.166 8.360 -0.016 0.147 0.458 35 I N -0.752 119.815 120.570 -0.006 0.000 2.151 35 I HA -0.548 3.594 4.170 -0.047 0.000 0.243 35 I C 2.060 178.208 176.117 0.053 0.000 1.080 35 I CA 4.104 65.415 61.300 0.019 0.000 1.339 35 I CB -0.173 37.897 38.000 0.116 0.000 1.039 35 I HN 0.180 8.250 8.210 0.004 0.142 0.409 36 Q N -0.649 119.169 119.800 0.029 0.000 1.994 36 Q HA -0.428 3.915 4.340 0.005 0.000 0.198 36 Q C 2.213 178.224 176.000 0.019 0.000 0.976 36 Q CA 3.319 59.124 55.803 0.004 0.000 0.828 36 Q CB 0.052 28.766 28.738 -0.040 0.000 0.894 36 Q HN -0.615 7.666 8.270 0.019 0.000 0.432 37 Q N -0.747 119.054 119.800 0.003 0.000 2.062 37 Q HA -0.389 3.957 4.340 0.009 0.000 0.209 37 Q C 2.563 178.567 176.000 0.006 0.000 0.996 37 Q CA 3.360 59.165 55.803 0.004 0.000 0.859 37 Q CB -0.082 28.651 28.738 -0.008 0.000 0.920 37 Q HN -0.085 8.182 8.270 -0.005 0.000 0.415 38 T N -1.559 112.983 114.554 -0.020 0.000 2.822 38 T HA -0.333 3.965 4.350 -0.086 0.000 0.270 38 T C 1.990 176.687 174.700 -0.004 0.000 1.064 38 T CA 4.287 66.347 62.100 -0.068 0.000 1.131 38 T CB -0.540 68.245 68.868 -0.139 0.000 0.858 38 T HN 0.229 8.334 8.240 -0.026 0.120 0.483 39 E N 1.038 121.296 120.200 0.096 0.000 2.086 39 E HA -0.161 4.389 4.350 0.334 0.000 0.190 39 E C 2.550 179.267 176.600 0.194 0.000 0.975 39 E CA 2.531 59.077 56.400 0.244 0.000 0.813 39 E CB -0.248 29.657 29.700 0.341 0.000 0.768 39 E HN -0.225 8.019 8.360 0.076 0.162 0.457 40 E N 0.527 120.797 120.200 0.116 0.000 2.048 40 E HA -0.434 3.973 4.350 0.096 0.000 0.202 40 E C 2.412 179.069 176.600 0.095 0.000 1.021 40 E CA 3.249 59.703 56.400 0.089 0.000 0.825 40 E CB -0.182 29.549 29.700 0.051 0.000 0.756 40 E HN -0.207 8.120 8.360 0.088 0.086 0.454 41 K N -2.200 118.250 120.400 0.084 0.000 1.985 41 K HA -0.215 4.153 4.320 0.080 0.000 0.210 41 K C 2.672 179.353 176.600 0.135 0.000 1.047 41 K CA 2.156 58.497 56.287 0.089 0.000 0.932 41 K CB -0.435 32.103 32.500 0.063 0.000 0.716 41 K HN -0.749 7.540 8.250 0.066 0.000 0.439 42 Y N 1.034 121.322 120.300 -0.020 0.000 2.139 42 Y HA -0.308 4.245 4.550 0.004 0.000 0.282 42 Y C 1.743 177.647 175.900 0.007 0.000 1.179 42 Y CA 2.347 60.429 58.100 -0.029 0.000 1.161 42 Y CB -0.722 37.657 38.460 -0.135 0.000 0.970 42 Y HN -0.647 7.736 8.280 0.172 0.000 0.511 43 T N 0.027 114.557 114.554 -0.038 0.000 2.778 43 T HA -0.438 3.791 4.350 -0.202 0.000 0.269 43 T C 1.682 176.437 174.700 0.092 0.000 1.050 43 T CA 4.878 66.970 62.100 -0.013 0.000 1.137 43 T CB -1.049 67.913 68.868 0.156 0.000 0.860 43 T HN 0.587 8.780 8.240 0.123 0.121 0.468 44 D N -0.153 120.299 120.400 0.086 0.000 2.218 44 D HA -0.190 4.532 4.640 0.137 0.000 0.204 44 D C 1.818 178.146 176.300 0.048 0.000 0.976 44 D CA 3.096 57.153 54.000 0.095 0.000 0.853 44 D CB -0.123 40.729 40.800 0.086 0.000 0.939 44 D HN 0.010 8.289 8.370 0.085 0.142 0.481 45 T N 1.339 115.896 114.554 0.005 0.000 3.031 45 T HA -0.103 4.279 4.350 0.054 0.000 0.254 45 T C 1.625 176.259 174.700 -0.110 0.000 1.060 45 T CA 2.610 64.714 62.100 0.007 0.000 1.135 45 T CB 0.558 69.495 68.868 0.114 0.000 0.896 45 T HN -0.170 7.890 8.240 -0.017 0.170 0.472 46 L N 1.700 122.750 121.223 -0.288 0.000 2.042 46 L HA -0.244 3.902 4.340 -0.323 0.000 0.210 46 L C 1.773 178.477 176.870 -0.277 0.000 1.076 46 L CA 2.700 57.362 54.840 -0.296 0.000 0.749 46 L CB -0.822 41.035 42.059 -0.337 0.000 0.893 46 L HN 0.060 7.982 8.230 -0.354 0.095 0.432 47 G N -4.574 103.887 108.800 -0.566 0.000 2.430 47 G HA2 -0.171 2.599 3.960 -1.983 0.000 0.216 47 G HA3 -0.171 2.570 3.960 -2.031 0.000 0.216 47 G C 1.256 175.843 174.900 -0.522 0.000 1.146 47 G CA 1.229 45.468 45.100 -1.435 0.000 0.793 47 G HN -0.314 7.851 8.290 -0.200 0.005 0.537 48 S N 1.786 117.379 115.700 -0.179 0.000 2.420 48 S HA -0.342 4.193 4.470 0.108 0.000 0.237 48 S C 0.883 175.626 174.600 0.239 0.000 1.023 48 S CA 3.027 61.272 58.200 0.075 0.000 0.991 48 S CB -0.061 63.224 63.200 0.142 0.000 0.792 48 S HN -0.685 7.442 8.310 -0.160 0.088 0.488 49 I N -4.163 116.482 120.570 0.125 0.000 2.761 49 I HA -0.229 4.232 4.170 0.486 0.000 0.261 49 I C 0.648 176.773 176.117 0.013 0.000 1.198 49 I CA 1.567 62.974 61.300 0.178 0.000 1.482 49 I CB 0.048 38.072 38.000 0.041 0.000 1.100 49 I HN -0.803 7.353 8.210 -0.029 0.037 0.445 50 Q N -0.765 118.956 119.800 -0.131 0.000 1.984 50 Q HA -0.238 3.972 4.340 -0.218 0.000 0.196 50 Q C 1.757 177.648 176.000 -0.181 0.000 0.975 50 Q CA 2.621 58.305 55.803 -0.198 0.000 0.827 50 Q CB 0.909 29.495 28.738 -0.252 0.000 0.894 50 Q HN -0.087 7.884 8.270 -0.204 0.177 0.438 51 Q N -1.264 118.433 119.800 -0.172 0.000 1.946 51 Q HA -0.181 4.027 4.340 -0.219 0.000 0.199 51 Q C 2.015 177.853 176.000 -0.270 0.000 0.979 51 Q CA 2.942 58.602 55.803 -0.238 0.000 0.834 51 Q CB 0.571 29.133 28.738 -0.292 0.000 0.899 51 Q HN -0.699 7.459 8.270 -0.187 0.000 0.431 52 H N -1.950 117.084 119.070 -0.060 0.000 2.970 52 H HA -0.107 4.373 4.556 -0.127 0.000 0.226 52 H C -1.023 174.222 175.328 -0.138 0.000 1.909 52 H CA 1.165 57.144 56.048 -0.115 0.000 1.388 52 H CB -2.428 27.250 29.762 -0.139 0.000 1.773 52 H HN -0.039 8.249 8.280 0.013 0.000 0.559 53 F N -0.831 119.101 119.950 -0.031 0.000 2.271 53 F HA -0.159 4.448 4.527 0.132 0.000 0.457 53 F C -1.145 174.473 175.800 -0.303 0.000 0.867 53 F CA 1.454 59.454 58.000 0.001 0.000 0.688 53 F CB 1.091 40.169 39.000 0.130 0.000 1.295 53 F HN -0.020 8.204 8.300 -0.035 0.055 0.520 54 M N -0.261 119.145 119.600 -0.323 0.000 2.466 54 M HA -0.071 3.942 4.480 -0.777 0.000 0.265 54 M C 0.874 177.058 176.300 -0.193 0.000 1.122 54 M CA 2.540 57.539 55.300 -0.502 0.000 1.157 54 M CB 1.315 33.608 32.600 -0.511 0.000 1.352 54 M HN -0.387 7.780 8.290 -0.206 0.000 0.464 55 K N -1.611 118.704 120.400 -0.141 0.000 2.128 55 K HA 0.117 4.391 4.320 -0.077 0.000 0.202 55 K C -0.063 176.508 176.600 -0.048 0.000 1.050 55 K CA 2.680 58.912 56.287 -0.093 0.000 0.966 55 K CB -1.414 31.015 32.500 -0.118 0.000 0.759 55 K HN -0.740 7.413 8.250 -0.161 0.000 0.454 56 P HA -0.001 4.412 4.420 -0.012 0.000 0.227 56 P C 0.546 177.870 177.300 0.040 0.000 1.161 56 P CA 1.326 64.419 63.100 -0.013 0.000 0.788 56 P CB 0.029 31.707 31.700 -0.038 0.000 0.822 57 L N -0.649 120.624 121.223 0.083 0.000 2.217 57 L HA -0.292 4.142 4.340 0.157 0.000 0.211 57 L C 1.823 178.794 176.870 0.169 0.000 1.107 57 L CA 2.709 57.651 54.840 0.171 0.000 0.783 57 L CB -0.559 41.688 42.059 0.314 0.000 0.919 57 L HN -0.289 7.951 8.230 0.063 0.028 0.442 58 Q N -2.144 117.721 119.800 0.108 0.000 2.325 58 Q HA -0.380 4.217 4.340 0.102 -0.196 0.211 58 Q C 1.532 177.585 176.000 0.089 0.000 0.988 58 Q CA 2.856 58.710 55.803 0.086 0.000 0.887 58 Q CB -0.825 27.936 28.738 0.037 0.000 0.915 58 Q HN 0.279 8.567 8.270 0.071 0.024 0.440 59 R N -3.310 117.250 120.500 0.100 0.000 2.249 59 R HA -0.238 4.137 4.340 0.057 0.000 0.230 59 R C 0.783 177.173 176.300 0.150 0.000 1.121 59 R CA 2.133 58.291 56.100 0.097 0.000 0.997 59 R CB 0.236 30.591 30.300 0.092 0.000 0.867 59 R HN -0.717 7.563 8.270 0.094 0.046 0.465 60 F N -2.114 117.855 119.950 0.033 0.000 2.017 60 F HA 0.139 4.681 4.527 0.025 0.000 0.245 60 F C -1.045 174.776 175.800 0.036 0.000 1.060 60 F CA 0.375 58.395 58.000 0.033 0.000 1.231 60 F CB 2.373 41.395 39.000 0.038 0.000 1.527 60 F HN -0.125 8.164 8.300 0.271 0.174 0.636 61 L N 2.047 123.558 121.223 0.479 0.000 2.418 61 L HA 0.054 4.565 4.340 0.285 0.000 0.274 61 L C -0.695 176.252 176.870 0.129 0.000 1.135 61 L CA -0.234 54.792 54.840 0.309 0.000 0.870 61 L CB 0.284 42.531 42.059 0.312 0.000 1.154 61 L HN -0.616 7.941 8.230 0.545 0.000 0.462 62 K N 7.770 128.198 120.400 0.047 0.000 2.485 62 K HA -0.027 4.299 4.320 0.011 0.000 0.277 62 K C -0.675 175.951 176.600 0.045 0.000 0.990 62 K CA 0.197 56.496 56.287 0.021 0.000 0.994 62 K CB -0.951 31.546 32.500 -0.006 0.000 0.906 62 K HN 0.333 8.597 8.250 0.023 0.000 0.488 63 P HA -0.327 4.127 4.420 0.056 0.000 0.216 63 P C 1.478 178.801 177.300 0.039 0.000 1.150 63 P CA 2.833 65.958 63.100 0.041 0.000 0.843 63 P CB 0.035 31.749 31.700 0.023 0.000 0.787 64 Q N -2.063 117.751 119.800 0.025 0.000 1.956 64 Q HA -0.322 4.032 4.340 0.022 0.000 0.208 64 Q C 2.590 178.601 176.000 0.017 0.000 0.998 64 Q CA 3.624 59.439 55.803 0.020 0.000 0.855 64 Q CB -0.658 28.088 28.738 0.013 0.000 0.928 64 Q HN 0.248 8.515 8.270 0.019 0.014 0.418 65 D N -1.296 119.106 120.400 0.003 0.000 2.218 65 D HA -0.216 4.395 4.640 -0.049 0.000 0.204 65 D C 2.417 178.694 176.300 -0.038 0.000 0.976 65 D CA 2.601 56.575 54.000 -0.043 0.000 0.853 65 D CB -0.418 40.341 40.800 -0.069 0.000 0.939 65 D HN 0.013 8.388 8.370 0.008 0.000 0.481 66 M N 1.129 120.754 119.600 0.042 0.000 2.144 66 M HA -0.470 4.100 4.480 0.150 0.000 0.260 66 M C 1.200 177.599 176.300 0.165 0.000 1.067 66 M CA 3.812 59.198 55.300 0.142 0.000 1.095 66 M CB 0.030 32.738 32.600 0.181 0.000 1.365 66 M HN -0.105 8.107 8.290 0.047 0.107 0.406 67 E N -3.406 116.853 120.200 0.100 0.000 2.273 67 E HA -0.374 4.053 4.350 0.128 0.000 0.198 67 E C 1.592 178.245 176.600 0.088 0.000 1.002 67 E CA 2.991 59.451 56.400 0.099 0.000 0.828 67 E CB -0.275 29.463 29.700 0.063 0.000 0.747 67 E HN -0.371 8.019 8.360 0.070 0.012 0.491 68 T N -1.551 113.022 114.554 0.031 0.000 3.037 68 T HA 0.012 4.380 4.350 0.031 0.000 0.252 68 T C 0.728 175.398 174.700 -0.051 0.000 1.073 68 T CA 2.830 64.928 62.100 -0.003 0.000 1.091 68 T CB 0.171 69.022 68.868 -0.028 0.000 0.935 68 T HN 0.025 8.096 8.240 0.005 0.173 0.488 69 I N -0.055 120.463 120.570 -0.086 0.000 2.617 69 I HA -0.287 3.746 4.170 -0.230 0.000 0.256 69 I C -0.060 175.833 176.117 -0.373 0.000 1.167 69 I CA 1.150 62.312 61.300 -0.230 0.000 1.469 69 I CB -0.839 37.011 38.000 -0.250 0.000 1.098 69 I HN -0.601 7.459 8.210 -0.033 0.130 0.436 70 F N -5.847 114.098 119.950 -0.009 0.000 2.619 70 F HA -0.086 4.438 4.527 -0.005 0.000 0.281 70 F C -0.599 175.246 175.800 0.075 0.000 1.065 70 F CA 0.711 58.722 58.000 0.018 0.000 1.304 70 F CB 2.974 41.990 39.000 0.026 0.000 1.059 70 F HN -0.490 7.909 8.300 0.211 0.028 0.648 71 V N -5.902 114.159 119.914 0.245 0.000 0.689 71 V HA -0.385 3.977 4.120 0.152 -0.150 0.092 71 V C -0.601 175.637 176.094 0.240 0.000 0.795 71 V CA 0.696 63.126 62.300 0.216 0.000 3.102 71 V CB -1.534 30.423 31.823 0.224 0.000 0.199 71 V HN -0.547 7.689 8.190 0.233 0.094 0.108 72 N N 2.358 121.233 118.700 0.292 0.000 2.538 72 N HA 0.142 4.968 4.740 0.144 0.000 0.291 72 N C 0.675 176.278 175.510 0.155 0.000 1.323 72 N CA -0.627 52.532 53.050 0.182 0.000 0.934 72 N CB -0.430 38.137 38.487 0.134 0.000 1.255 72 N HN 0.181 8.825 8.380 0.440 0.000 0.509 73 I N 0.397 121.090 120.570 0.204 0.000 2.194 73 I HA -0.538 3.724 4.170 0.153 0.000 0.246 73 I C 1.506 177.705 176.117 0.138 0.000 1.093 73 I CA 3.264 64.665 61.300 0.169 0.000 1.355 73 I CB -0.640 37.474 38.000 0.188 0.000 1.046 73 I HN -0.248 8.042 8.210 0.255 0.073 0.413 74 E N -1.719 118.542 120.200 0.102 0.000 2.130 74 E HA -0.414 4.010 4.350 0.123 0.000 0.196 74 E C 2.045 178.733 176.600 0.148 0.000 0.998 74 E CA 3.243 59.709 56.400 0.111 0.000 0.806 74 E CB -0.585 29.151 29.700 0.060 0.000 0.738 74 E HN 0.307 8.718 8.360 0.086 0.000 0.459 75 E N -2.340 117.921 120.200 0.101 0.000 2.318 75 E HA -0.104 4.290 4.350 0.074 0.000 0.193 75 E C 1.923 178.555 176.600 0.053 0.000 0.998 75 E CA 1.354 57.794 56.400 0.067 0.000 0.859 75 E CB 0.554 30.273 29.700 0.031 0.000 0.812 75 E HN -0.629 7.671 8.360 0.090 0.114 0.492 76 L N -0.169 121.092 121.223 0.063 0.000 2.341 76 L HA -0.150 4.167 4.340 -0.039 0.000 0.214 76 L C 1.392 178.387 176.870 0.209 0.000 1.115 76 L CA 1.225 56.087 54.840 0.037 0.000 0.820 76 L CB -0.278 41.725 42.059 -0.094 0.000 0.944 76 L HN -0.215 7.944 8.230 0.080 0.120 0.452 77 F N 0.792 120.789 119.950 0.079 0.000 2.161 77 F HA -0.475 4.125 4.527 0.121 0.000 0.300 77 F C 1.409 177.307 175.800 0.163 0.000 1.089 77 F CA 1.959 60.025 58.000 0.111 0.000 1.282 77 F CB -0.576 38.465 39.000 0.068 0.000 1.010 77 F HN 0.560 8.934 8.300 0.325 0.120 0.485 78 S N -0.951 114.745 115.700 -0.006 0.000 2.368 78 S HA -0.304 4.021 4.470 -0.242 0.000 0.224 78 S C 2.090 176.741 174.600 0.084 0.000 1.029 78 S CA 3.392 61.557 58.200 -0.059 0.000 0.988 78 S CB -0.448 62.769 63.200 0.027 0.000 0.838 78 S HN -0.034 8.334 8.310 0.119 0.013 0.462 79 V N -2.147 117.825 119.914 0.096 0.000 2.660 79 V HA -0.360 3.860 4.120 0.166 0.000 0.257 79 V C 0.807 177.050 176.094 0.249 0.000 1.088 79 V CA 2.988 65.371 62.300 0.137 0.000 1.106 79 V CB -0.282 31.530 31.823 -0.018 0.000 0.686 79 V HN -0.100 8.050 8.190 0.067 0.081 0.481 80 H N -2.963 116.256 119.070 0.248 0.000 2.337 80 H HA 0.049 4.893 4.556 0.480 0.000 0.311 80 H C 1.557 177.019 175.328 0.224 0.000 1.054 80 H CA 3.425 59.654 56.048 0.303 0.000 1.385 80 H CB 1.051 30.932 29.762 0.197 0.000 1.437 80 H HN -0.727 7.554 8.280 0.270 0.161 0.553 81 T N 1.950 116.561 114.554 0.095 0.000 2.668 81 T HA -0.374 3.993 4.350 0.028 0.000 0.262 81 T C 1.487 176.217 174.700 0.049 0.000 1.045 81 T CA 5.369 67.435 62.100 -0.056 0.000 1.152 81 T CB -0.086 68.501 68.868 -0.469 0.000 0.864 81 T HN 0.021 8.226 8.240 -0.058 0.000 0.419 82 H N 2.849 121.898 119.070 -0.034 0.000 2.321 82 H HA -0.341 4.198 4.556 -0.028 0.000 0.295 82 H C 1.572 176.954 175.328 0.090 0.000 1.102 82 H CA 3.445 59.502 56.048 0.015 0.000 1.266 82 H CB -0.217 29.561 29.762 0.027 0.000 1.363 82 H HN -0.143 8.080 8.280 0.070 0.099 0.492 83 F N -0.417 119.659 119.950 0.211 0.000 2.043 83 F HA -0.447 4.013 4.527 -0.112 0.000 0.297 83 F C 1.807 177.613 175.800 0.010 0.000 1.118 83 F CA 2.597 60.631 58.000 0.057 0.000 1.202 83 F CB -0.505 38.614 39.000 0.198 0.000 0.965 83 F HN -0.797 7.810 8.300 0.517 0.003 0.482 84 L N -1.075 120.119 121.223 -0.048 0.000 1.997 84 L HA -0.553 3.575 4.340 -0.354 0.000 0.216 84 L C 2.282 179.043 176.870 -0.182 0.000 1.074 84 L CA 4.125 58.854 54.840 -0.185 0.000 0.763 84 L CB -0.479 41.556 42.059 -0.040 0.000 0.890 84 L HN -0.632 7.711 8.230 0.187 0.000 0.434 85 K N -3.024 117.299 120.400 -0.128 0.000 2.218 85 K HA -0.407 3.834 4.320 -0.132 0.000 0.205 85 K C 2.812 179.317 176.600 -0.158 0.000 1.046 85 K CA 3.241 59.435 56.287 -0.156 0.000 0.933 85 K CB -0.460 31.905 32.500 -0.225 0.000 0.728 85 K HN -0.612 7.585 8.250 -0.088 0.000 0.454 86 E N -1.475 118.636 120.200 -0.148 0.000 2.190 86 E HA -0.112 4.176 4.350 -0.105 0.000 0.191 86 E C 2.466 178.937 176.600 -0.215 0.000 0.978 86 E CA 1.947 58.268 56.400 -0.132 0.000 0.839 86 E CB 0.181 29.855 29.700 -0.044 0.000 0.787 86 E HN -0.089 8.015 8.360 -0.127 0.179 0.473 87 L N 0.150 121.161 121.223 -0.353 0.000 2.131 87 L HA -0.231 3.927 4.340 -0.303 0.000 0.206 87 L C 1.709 178.455 176.870 -0.207 0.000 1.087 87 L CA 2.605 57.229 54.840 -0.359 0.000 0.767 87 L CB -0.316 41.398 42.059 -0.575 0.000 0.917 87 L HN 0.415 8.181 8.230 -0.407 0.221 0.441 88 K N 0.131 120.425 120.400 -0.176 0.000 2.001 88 K HA -0.439 3.878 4.320 -0.105 -0.060 0.214 88 K C 1.916 178.458 176.600 -0.098 0.000 1.050 88 K CA 3.169 59.386 56.287 -0.117 0.000 0.934 88 K CB -0.760 31.680 32.500 -0.100 0.000 0.718 88 K HN 0.758 8.777 8.250 -0.198 0.112 0.443 89 D N -2.173 118.167 120.400 -0.099 0.000 2.219 89 D HA -0.168 4.431 4.640 -0.068 0.000 0.205 89 D C 1.853 178.102 176.300 -0.085 0.000 0.970 89 D CA 2.987 56.938 54.000 -0.082 0.000 0.851 89 D CB 0.092 40.845 40.800 -0.078 0.000 0.943 89 D HN -0.460 7.844 8.370 -0.111 0.000 0.488 90 A N 0.136 122.891 122.820 -0.108 0.000 1.855 90 A HA -0.241 4.014 4.320 -0.109 0.000 0.215 90 A C 2.323 179.855 177.584 -0.086 0.000 1.191 90 A CA 2.817 54.788 52.037 -0.111 0.000 0.613 90 A CB -0.347 18.571 19.000 -0.137 0.000 0.829 90 A HN -0.722 7.222 8.150 -0.127 0.131 0.442 91 L N -3.256 117.916 121.223 -0.085 0.000 2.156 91 L HA -0.250 4.058 4.340 -0.053 0.000 0.208 91 L C 1.463 178.305 176.870 -0.047 0.000 1.095 91 L CA 2.301 57.104 54.840 -0.061 0.000 0.770 91 L CB -0.063 41.959 42.059 -0.060 0.000 0.914 91 L HN 0.415 8.469 8.230 -0.104 0.114 0.439 92 A N -3.116 119.673 122.820 -0.053 0.000 2.076 92 A HA -0.195 4.103 4.320 -0.036 0.000 0.220 92 A C 0.816 178.380 177.584 -0.034 0.000 1.160 92 A CA 1.294 53.306 52.037 -0.041 0.000 0.653 92 A CB -0.104 18.869 19.000 -0.045 0.000 0.801 92 A HN -0.067 7.939 8.150 -0.065 0.105 0.455 93 G N -1.061 107.718 108.800 -0.036 0.000 2.441 93 G HA2 0.019 3.964 3.960 -0.024 0.000 0.258 93 G HA3 0.019 3.963 3.960 -0.028 0.000 0.258 93 G C -2.357 172.532 174.900 -0.017 0.000 1.487 93 G CA -0.931 44.153 45.100 -0.026 0.000 1.058 93 G HN -0.820 7.293 8.290 -0.045 0.150 0.552 94 P HA -0.301 4.116 4.420 -0.005 0.000 0.248 94 P C -0.428 176.870 177.300 -0.004 0.000 1.550 94 P CA 1.035 64.133 63.100 -0.004 0.000 1.252 94 P CB -1.788 29.914 31.700 0.004 0.000 1.869 95 G N 4.143 112.939 108.800 -0.008 0.000 5.266 95 G HA2 -0.411 3.545 3.960 -0.007 0.000 0.262 95 G HA3 -0.411 3.547 3.960 -0.003 0.000 0.262 95 G C -1.284 173.609 174.900 -0.012 0.000 1.359 95 G CA 0.708 45.804 45.100 -0.007 0.000 0.955 95 G HN 0.595 8.857 8.290 -0.010 0.022 0.754 96 A N 0.017 122.831 122.820 -0.009 0.000 2.134 96 A HA 0.131 4.433 4.320 -0.029 0.000 0.229 96 A C -1.042 176.537 177.584 -0.009 0.000 2.614 96 A CA 0.106 52.132 52.037 -0.019 0.000 1.956 96 A CB 0.263 19.250 19.000 -0.022 0.000 0.478 96 A HN -0.110 7.996 8.150 -0.003 0.042 0.878 97 T N -0.574 113.990 114.554 0.017 0.000 3.037 97 T HA 0.013 4.384 4.350 0.034 0.000 0.251 97 T C 0.989 175.791 174.700 0.170 0.000 1.079 97 T CA 0.567 62.701 62.100 0.056 0.000 1.067 97 T CB 0.578 69.472 68.868 0.043 0.000 0.948 97 T HN -0.333 7.915 8.240 0.014 0.000 0.496 98 T N 3.323 117.935 114.554 0.096 0.000 3.169 98 T HA -0.022 4.466 4.350 0.231 0.000 0.250 98 T C 1.127 175.725 174.700 -0.171 0.000 1.111 98 T CA -0.780 61.332 62.100 0.021 0.000 1.010 98 T CB -0.514 68.319 68.868 -0.059 0.000 0.984 98 T HN 0.086 8.345 8.240 0.032 0.000 0.537 99 L N 0.949 122.121 121.223 -0.086 0.000 2.042 99 L HA -0.380 3.859 4.340 -0.169 0.000 0.210 99 L C 1.700 178.415 176.870 -0.259 0.000 1.076 99 L CA 3.013 57.730 54.840 -0.205 0.000 0.749 99 L CB -0.579 41.295 42.059 -0.307 0.000 0.893 99 L HN -0.300 7.831 8.230 -0.014 0.090 0.432 100 Y N -4.333 115.823 120.300 -0.240 0.000 2.139 100 Y HA -0.518 3.941 4.550 -0.152 0.000 0.282 100 Y C 1.381 177.302 175.900 0.034 0.000 1.179 100 Y CA 1.980 60.014 58.100 -0.110 0.000 1.161 100 Y CB -2.089 36.334 38.460 -0.062 0.000 0.970 100 Y HN -0.354 8.038 8.280 0.195 0.006 0.511 101 Q N -1.105 118.069 119.800 -1.043 0.000 2.242 101 Q HA -0.367 3.608 4.340 -0.608 0.000 0.211 101 Q C 1.627 177.505 176.000 -0.203 0.000 0.992 101 Q CA 3.058 58.462 55.803 -0.665 0.000 0.889 101 Q CB -0.376 27.978 28.738 -0.641 0.000 0.913 101 Q HN -0.395 6.842 8.270 -1.709 0.007 0.422 102 V N -3.108 116.754 119.914 -0.087 0.000 2.374 102 V HA -0.272 3.821 4.120 -0.044 0.000 0.241 102 V C 2.382 178.622 176.094 0.243 0.000 1.034 102 V CA 2.700 65.016 62.300 0.026 0.000 1.037 102 V CB 0.320 32.163 31.823 0.033 0.000 0.682 102 V HN -0.041 7.909 8.190 -0.132 0.160 0.463 103 F N -2.057 117.930 119.950 0.061 0.000 2.271 103 F HA -0.282 4.354 4.527 0.181 0.000 0.302 103 F C 0.912 176.748 175.800 0.060 0.000 1.063 103 F CA 2.540 60.611 58.000 0.118 0.000 1.362 103 F CB -0.754 38.332 39.000 0.144 0.000 1.060 103 F HN -0.610 8.069 8.300 0.631 0.000 0.521 104 I N -6.011 114.703 120.570 0.239 0.000 3.941 104 I HA -0.075 4.159 4.170 0.107 0.000 0.321 104 I C 0.727 176.887 176.117 0.072 0.000 1.284 104 I CA -0.646 60.734 61.300 0.133 0.000 1.226 104 I CB -0.434 37.655 38.000 0.149 0.000 1.045 104 I HN 0.069 8.369 8.210 0.230 0.047 0.420 105 K N 1.379 121.834 120.400 0.091 0.000 2.057 105 K HA -0.024 4.310 4.320 0.024 0.000 0.209 105 K C 2.155 178.796 176.600 0.069 0.000 1.028 105 K CA 2.258 58.578 56.287 0.055 0.000 0.950 105 K CB 0.643 33.159 32.500 0.026 0.000 0.784 105 K HN -0.002 8.175 8.250 0.127 0.149 0.448 106 Y N -0.279 119.902 120.300 -0.199 0.000 2.639 106 Y HA -0.171 4.238 4.550 -0.235 0.000 0.297 106 Y C 0.899 176.579 175.900 -0.367 0.000 1.151 106 Y CA -0.990 56.938 58.100 -0.287 0.000 1.335 106 Y CB -1.585 36.679 38.460 -0.327 0.000 0.994 106 Y HN -0.538 7.929 8.280 0.311 0.000 0.548 107 K N -0.239 119.896 120.400 -0.442 0.000 2.207 107 K HA -0.525 3.188 4.320 -1.011 0.000 0.208 107 K C 1.432 177.800 176.600 -0.386 0.000 1.046 107 K CA 3.203 59.145 56.287 -0.575 0.000 0.929 107 K CB -1.681 30.661 32.500 -0.264 0.000 0.720 107 K HN -0.384 7.751 8.250 -0.071 0.072 0.463 108 E N -0.627 119.415 120.200 -0.263 0.000 2.086 108 E HA -0.381 3.875 4.350 -0.158 0.000 0.200 108 E C 2.466 178.913 176.600 -0.254 0.000 1.012 108 E CA 3.030 59.311 56.400 -0.199 0.000 0.812 108 E CB -0.153 29.463 29.700 -0.141 0.000 0.743 108 E HN -0.716 7.480 8.360 -0.212 0.036 0.453 109 R N -3.230 117.074 120.500 -0.325 0.000 2.073 109 R HA -0.244 3.909 4.340 -0.312 0.000 0.229 109 R C 2.725 178.669 176.300 -0.593 0.000 1.120 109 R CA 2.619 58.493 56.100 -0.377 0.000 0.967 109 R CB -0.264 29.845 30.300 -0.318 0.000 0.862 109 R HN 0.235 8.206 8.270 -0.339 0.096 0.436 110 F N 0.094 119.451 119.950 -0.987 0.000 2.287 110 F HA -0.238 3.148 4.527 -1.901 0.000 0.301 110 F C 2.210 177.564 175.800 -0.742 0.000 1.069 110 F CA 2.482 59.801 58.000 -1.134 0.000 1.372 110 F CB -0.655 37.806 39.000 -0.898 0.000 1.056 110 F HN -0.700 7.213 8.300 -0.532 0.068 0.523 111 L N -2.292 118.734 121.223 -0.328 0.000 2.240 111 L HA -0.236 4.045 4.340 -0.098 0.000 0.211 111 L C 1.768 178.531 176.870 -0.179 0.000 1.106 111 L CA 2.776 57.508 54.840 -0.180 0.000 0.793 111 L CB -0.470 41.510 42.059 -0.131 0.000 0.927 111 L HN -0.080 7.801 8.230 -0.327 0.154 0.446 112 V N 0.444 120.176 119.914 -0.303 0.000 2.453 112 V HA -0.465 3.594 4.120 -0.102 0.000 0.252 112 V C 1.458 177.513 176.094 -0.065 0.000 1.068 112 V CA 3.249 65.426 62.300 -0.205 0.000 1.070 112 V CB -1.258 30.394 31.823 -0.285 0.000 0.664 112 V HN 0.448 8.208 8.190 -0.414 0.182 0.461 113 Y N -1.282 118.971 120.300 -0.079 0.000 2.228 113 Y HA -0.423 4.168 4.550 0.068 0.000 0.285 113 Y C 2.259 178.204 175.900 0.076 0.000 1.178 113 Y CA 2.120 60.218 58.100 -0.004 0.000 1.202 113 Y CB -1.867 36.521 38.460 -0.119 0.000 0.974 113 Y HN -0.738 7.040 8.280 -0.615 0.132 0.527 114 G N -2.116 106.781 108.800 0.161 0.000 2.604 114 G HA2 -0.373 3.648 3.960 0.102 0.000 0.216 114 G HA3 -0.373 3.624 3.960 0.063 0.000 0.216 114 G C 1.672 176.634 174.900 0.103 0.000 1.265 114 G CA 1.681 46.844 45.100 0.104 0.000 0.804 114 G HN 0.219 8.415 8.290 0.091 0.149 0.579 115 R N 2.052 122.605 120.500 0.088 0.000 2.127 115 R HA -0.359 4.014 4.340 0.055 0.000 0.238 115 R C 2.619 178.997 176.300 0.130 0.000 1.134 115 R CA 2.792 58.942 56.100 0.082 0.000 0.975 115 R CB -0.427 29.911 30.300 0.064 0.000 0.865 115 R HN -0.286 8.022 8.270 0.064 0.000 0.447 116 Y N 2.626 122.951 120.300 0.041 0.000 2.165 116 Y HA -0.346 4.236 4.550 0.053 0.000 0.286 116 Y C 1.162 177.091 175.900 0.048 0.000 1.155 116 Y CA 2.269 60.407 58.100 0.062 0.000 1.164 116 Y CB -0.089 38.443 38.460 0.121 0.000 0.978 116 Y HN 0.430 8.680 8.280 0.277 0.196 0.513 117 C N -2.798 116.539 119.300 0.062 0.000 2.466 117 C HA -0.369 4.016 4.460 -0.125 0.000 0.283 117 C C 1.770 176.725 174.990 -0.058 0.000 1.472 117 C CA 3.045 62.040 59.018 -0.039 0.000 1.765 117 C CB -1.822 25.931 27.740 0.021 0.000 1.724 117 C HN 0.110 8.355 8.230 0.180 0.092 0.560 118 S N 0.352 116.032 115.700 -0.033 0.000 2.404 118 S HA -0.084 4.370 4.470 -0.026 0.000 0.223 118 S C 0.853 175.425 174.600 -0.048 0.000 1.040 118 S CA 2.545 60.729 58.200 -0.027 0.000 0.957 118 S CB 0.065 63.266 63.200 0.002 0.000 0.826 118 S HN -0.072 8.010 8.310 -0.003 0.226 0.491 119 Q N 0.401 120.159 119.800 -0.070 0.000 2.259 119 Q HA -0.053 4.265 4.340 -0.037 0.000 0.201 119 Q C 1.980 177.898 176.000 -0.138 0.000 0.938 119 Q CA 2.135 57.895 55.803 -0.071 0.000 0.872 119 Q CB 1.022 29.738 28.738 -0.038 0.000 0.971 119 Q HN -0.618 7.607 8.270 -0.076 0.000 0.494 120 V N 1.611 121.361 119.914 -0.274 0.000 2.231 120 V HA -0.672 3.234 4.120 -0.358 0.000 0.250 120 V C 1.378 177.363 176.094 -0.182 0.000 1.058 120 V CA 5.169 67.263 62.300 -0.342 0.000 1.022 120 V CB -0.084 31.420 31.823 -0.533 0.000 0.640 120 V HN 0.657 8.660 8.190 -0.312 0.000 0.445 121 E N -2.811 117.306 120.200 -0.138 0.000 2.233 121 E HA -0.321 3.976 4.350 -0.089 0.000 0.199 121 E C 1.419 177.975 176.600 -0.074 0.000 1.004 121 E CA 2.722 59.068 56.400 -0.090 0.000 0.819 121 E CB -0.368 29.292 29.700 -0.067 0.000 0.738 121 E HN -0.520 7.753 8.360 -0.145 0.000 0.478 122 S N -2.495 113.164 115.700 -0.067 0.000 2.456 122 S HA -0.045 4.392 4.470 -0.056 0.000 0.224 122 S C 1.152 175.748 174.600 -0.005 0.000 1.035 122 S CA 1.453 59.629 58.200 -0.040 0.000 0.940 122 S CB 0.584 63.774 63.200 -0.017 0.000 0.799 122 S HN -0.466 7.623 8.310 -0.080 0.173 0.508 123 A N 3.196 125.995 122.820 -0.035 0.000 1.828 123 A HA -0.220 4.204 4.320 0.028 -0.087 0.215 123 A C 1.580 179.134 177.584 -0.050 0.000 1.203 123 A CA 3.242 55.255 52.037 -0.039 0.000 0.614 123 A CB -0.948 17.978 19.000 -0.124 0.000 0.844 123 A HN 0.612 8.487 8.150 -0.078 0.228 0.445 124 S N -1.742 113.903 115.700 -0.093 0.000 2.423 124 S HA -0.402 4.006 4.470 -0.103 0.000 0.238 124 S C 2.032 176.601 174.600 -0.053 0.000 1.028 124 S CA 3.620 61.770 58.200 -0.085 0.000 1.000 124 S CB -0.284 62.865 63.200 -0.085 0.000 0.797 124 S HN -0.244 7.995 8.310 -0.117 0.000 0.487 125 K N 0.802 121.176 120.400 -0.043 0.000 2.116 125 K HA -0.244 4.048 4.320 -0.047 0.000 0.203 125 K C 2.164 178.748 176.600 -0.027 0.000 1.052 125 K CA 1.652 57.911 56.287 -0.046 0.000 0.952 125 K CB -0.364 32.096 32.500 -0.067 0.000 0.729 125 K HN -0.439 7.640 8.250 -0.047 0.143 0.446 126 H N 0.844 119.875 119.070 -0.066 0.000 2.321 126 H HA -0.304 4.229 4.556 -0.037 0.000 0.300 126 H C 2.235 177.528 175.328 -0.058 0.000 1.087 126 H CA 3.855 59.871 56.048 -0.053 0.000 1.319 126 H CB 0.362 30.092 29.762 -0.055 0.000 1.379 126 H HN -0.011 8.100 8.280 0.079 0.216 0.501 127 L N -1.421 119.840 121.223 0.064 0.000 2.013 127 L HA -0.510 3.818 4.340 -0.019 0.000 0.212 127 L C 1.698 178.564 176.870 -0.007 0.000 1.073 127 L CA 4.426 59.256 54.840 -0.016 0.000 0.753 127 L CB -0.461 41.545 42.059 -0.088 0.000 0.890 127 L HN 0.186 8.439 8.230 0.038 0.000 0.432 128 D N -2.481 117.911 120.400 -0.014 0.000 2.190 128 D HA -0.415 4.210 4.640 -0.025 0.000 0.200 128 D C 1.982 178.277 176.300 -0.009 0.000 0.992 128 D CA 3.832 57.820 54.000 -0.019 0.000 0.854 128 D CB -0.005 40.778 40.800 -0.028 0.000 0.936 128 D HN -0.532 7.827 8.370 -0.018 0.000 0.462 129 Q N -1.726 118.079 119.800 0.008 0.000 2.204 129 Q HA -0.110 4.232 4.340 0.003 0.000 0.198 129 Q C 2.859 178.891 176.000 0.053 0.000 0.946 129 Q CA 2.712 58.526 55.803 0.019 0.000 0.859 129 Q CB 0.661 29.397 28.738 -0.003 0.000 0.946 129 Q HN -0.535 7.597 8.270 0.018 0.149 0.474 130 V N 1.348 121.311 119.914 0.081 0.000 2.270 130 V HA -0.451 3.738 4.120 0.115 0.000 0.245 130 V C 1.721 177.820 176.094 0.008 0.000 1.043 130 V CA 3.080 65.426 62.300 0.077 0.000 1.014 130 V CB -1.070 30.794 31.823 0.068 0.000 0.645 130 V HN 0.557 8.601 8.190 0.093 0.202 0.447 131 A N -2.177 120.627 122.820 -0.026 0.000 1.908 131 A HA -0.210 4.046 4.320 -0.108 0.000 0.218 131 A C 1.546 179.104 177.584 -0.042 0.000 1.181 131 A CA 3.217 55.217 52.037 -0.060 0.000 0.627 131 A CB -0.526 18.442 19.000 -0.052 0.000 0.818 131 A HN 0.592 8.617 8.150 -0.015 0.116 0.445 132 T N -1.077 113.467 114.554 -0.018 0.000 2.812 132 T HA -0.266 4.074 4.350 -0.017 0.000 0.264 132 T C 1.477 176.180 174.700 0.005 0.000 1.042 132 T CA 2.965 65.059 62.100 -0.010 0.000 1.140 132 T CB -0.222 68.641 68.868 -0.008 0.000 0.870 132 T HN -0.689 7.535 8.240 -0.011 0.009 0.445 133 A N 1.624 124.458 122.820 0.023 0.000 1.865 133 A HA -0.217 4.126 4.320 0.038 0.000 0.217 133 A C 0.660 178.279 177.584 0.059 0.000 1.191 133 A CA 2.142 54.207 52.037 0.047 0.000 0.623 133 A CB 0.142 19.188 19.000 0.076 0.000 0.826 133 A HN 0.068 8.038 8.150 0.024 0.194 0.444 134 R N -2.292 118.240 120.500 0.054 0.000 2.483 134 R HA 0.254 4.640 4.340 0.078 0.000 0.303 134 R C -0.098 176.168 176.300 -0.057 0.000 0.987 134 R CA -0.849 55.289 56.100 0.064 0.000 0.881 134 R CB 1.375 31.831 30.300 0.261 0.000 1.177 134 R HN -0.215 8.074 8.270 0.031 0.000 0.451 135 E N 4.598 124.779 120.200 -0.031 0.000 2.209 135 E HA -0.405 3.904 4.350 -0.068 0.000 0.196 135 E C 0.982 177.508 176.600 -0.123 0.000 0.993 135 E CA 3.393 59.756 56.400 -0.062 0.000 0.819 135 E CB -0.080 29.605 29.700 -0.024 0.000 0.745 135 E HN 0.657 9.022 8.360 0.009 0.000 0.477 136 D N -3.125 117.191 120.400 -0.141 0.000 2.271 136 D HA -0.212 4.373 4.640 -0.090 0.000 0.207 136 D C 1.250 177.247 176.300 -0.505 0.000 0.983 136 D CA 2.897 56.767 54.000 -0.216 0.000 0.878 136 D CB -0.277 40.542 40.800 0.031 0.000 0.920 136 D HN 0.109 8.412 8.370 -0.052 0.036 0.479 137 V N -3.544 115.982 119.914 -0.647 0.000 3.125 137 V HA -0.098 3.685 4.120 -0.561 0.000 0.249 137 V C 1.655 177.609 176.094 -0.232 0.000 1.113 137 V CA 2.573 64.545 62.300 -0.547 0.000 1.106 137 V CB 0.481 31.964 31.823 -0.568 0.000 0.768 137 V HN -0.381 7.324 8.190 -0.538 0.162 0.468 138 Q N 0.807 120.503 119.800 -0.174 0.000 1.889 138 Q HA -0.249 4.045 4.340 -0.076 0.000 0.211 138 Q C 2.512 178.471 176.000 -0.068 0.000 0.988 138 Q CA 3.495 59.242 55.803 -0.093 0.000 0.861 138 Q CB -0.132 28.563 28.738 -0.071 0.000 0.922 138 Q HN -0.866 7.168 8.270 -0.199 0.116 0.425 139 M N -3.892 115.669 119.600 -0.065 0.000 2.260 139 M HA -0.333 4.126 4.480 -0.036 0.000 0.261 139 M C 1.720 177.993 176.300 -0.045 0.000 1.066 139 M CA 3.269 58.541 55.300 -0.046 0.000 1.082 139 M CB -1.069 31.507 32.600 -0.039 0.000 1.388 139 M HN -0.713 7.534 8.290 -0.072 0.000 0.419 140 K N 1.117 121.477 120.400 -0.067 0.000 2.026 140 K HA -0.246 4.046 4.320 -0.046 0.000 0.208 140 K C 2.393 178.976 176.600 -0.028 0.000 1.048 140 K CA 3.074 59.327 56.287 -0.056 0.000 0.929 140 K CB -0.184 32.261 32.500 -0.091 0.000 0.713 140 K HN -0.322 7.750 8.250 -0.099 0.118 0.439 141 L N -2.317 118.911 121.223 0.009 0.000 2.079 141 L HA -0.433 4.003 4.340 0.160 0.000 0.210 141 L C 2.215 179.126 176.870 0.069 0.000 1.081 141 L CA 3.122 58.025 54.840 0.104 0.000 0.752 141 L CB -0.461 41.680 42.059 0.137 0.000 0.896 141 L HN -0.385 7.833 8.230 -0.020 0.000 0.433 142 E N -0.308 119.904 120.200 0.019 0.000 2.013 142 E HA -0.400 3.964 4.350 0.024 0.000 0.202 142 E C 3.142 179.733 176.600 -0.015 0.000 1.018 142 E CA 3.252 59.655 56.400 0.006 0.000 0.834 142 E CB -0.684 29.008 29.700 -0.013 0.000 0.770 142 E HN -0.658 7.598 8.360 0.002 0.105 0.459 143 E N -0.856 119.323 120.200 -0.036 0.000 2.153 143 E HA -0.256 4.066 4.350 -0.045 0.000 0.194 143 E C 2.111 178.651 176.600 -0.100 0.000 0.988 143 E CA 3.054 59.422 56.400 -0.055 0.000 0.811 143 E CB -0.411 29.261 29.700 -0.048 0.000 0.746 143 E HN -0.507 7.833 8.360 -0.033 0.000 0.466 144 C N -3.654 115.559 119.300 -0.144 0.000 2.432 144 C HA -0.220 4.068 4.460 -0.286 0.000 0.280 144 C C 1.781 176.508 174.990 -0.438 0.000 1.353 144 C CA 3.585 62.403 59.018 -0.333 0.000 1.766 144 C CB 0.291 27.771 27.740 -0.434 0.000 1.924 144 C HN -0.193 7.882 8.230 -0.099 0.096 0.509 145 S N 0.649 116.266 115.700 -0.139 0.000 2.501 145 S HA -0.148 4.410 4.470 0.147 0.000 0.220 145 S C 1.638 176.254 174.600 0.025 0.000 0.997 145 S CA 2.765 61.011 58.200 0.077 0.000 0.919 145 S CB -0.645 62.698 63.200 0.239 0.000 0.778 145 S HN 0.127 8.247 8.310 -0.061 0.154 0.523 146 Q N 2.453 122.234 119.800 -0.032 0.000 2.268 146 Q HA -0.302 4.192 4.340 -0.008 -0.159 0.210 146 Q C 1.318 177.290 176.000 -0.046 0.000 0.988 146 Q CA 2.859 58.643 55.803 -0.032 0.000 0.883 146 Q CB -0.309 28.399 28.738 -0.049 0.000 0.911 146 Q HN -0.454 7.630 8.270 -0.055 0.153 0.430 147 R N -4.028 116.418 120.500 -0.090 0.000 2.200 147 R HA -0.111 4.157 4.340 -0.120 0.000 0.208 147 R C 0.285 176.559 176.300 -0.043 0.000 1.033 147 R CA 1.619 57.641 56.100 -0.129 0.000 1.000 147 R CB 0.281 30.397 30.300 -0.306 0.000 0.906 147 R HN -0.345 7.810 8.270 -0.117 0.045 0.462 148 A N -2.232 120.614 122.820 0.044 0.000 2.121 148 A HA 0.114 4.487 4.320 0.088 0.000 0.215 148 A C -0.792 176.871 177.584 0.132 0.000 1.861 148 A CA 0.142 52.252 52.037 0.121 0.000 0.850 148 A CB 2.006 21.151 19.000 0.243 0.000 1.346 148 A HN 0.116 8.113 8.150 0.047 0.181 0.597 149 N N -0.490 118.307 118.700 0.162 0.000 2.577 149 N HA 0.074 4.889 4.740 0.125 0.000 0.275 149 N C -1.708 173.862 175.510 0.101 0.000 1.091 149 N CA -1.037 52.101 53.050 0.146 0.000 0.843 149 N CB 1.910 40.522 38.487 0.210 0.000 1.295 149 N HN -0.243 8.259 8.380 0.203 0.000 0.530 150 N N 5.119 123.853 118.700 0.056 0.000 2.309 150 N HA -0.408 4.346 4.740 0.023 0.000 0.293 150 N C 0.904 176.413 175.510 -0.002 0.000 1.327 150 N CA 1.239 54.302 53.050 0.022 0.000 1.054 150 N CB -1.176 37.315 38.487 0.007 0.000 1.474 150 N HN 0.504 8.917 8.380 0.055 0.000 0.486 151 G N 2.842 111.648 108.800 0.009 0.000 2.395 151 G HA2 -0.373 3.584 3.960 -0.006 0.000 0.292 151 G HA3 -0.373 3.684 3.960 -0.039 -0.121 0.292 151 G C -0.506 174.320 174.900 -0.123 0.000 0.953 151 G CA 1.147 46.227 45.100 -0.033 0.000 1.207 151 G HN 0.766 9.078 8.290 0.045 0.005 0.503 152 R N -2.927 117.482 120.500 -0.152 0.000 2.194 152 R HA 0.121 4.152 4.340 -0.515 0.000 0.194 152 R C -0.430 175.314 176.300 -0.928 0.000 0.985 152 R CA 0.797 56.622 56.100 -0.457 0.000 1.104 152 R CB 2.120 32.303 30.300 -0.195 0.000 1.092 152 R HN -0.766 7.482 8.270 -0.037 0.000 0.555 153 F N -5.239 114.724 119.950 0.022 0.000 2.769 153 F HA 0.194 4.854 4.527 -0.020 -0.145 0.341 153 F C -1.260 174.535 175.800 -0.007 0.000 1.279 153 F CA -0.989 57.009 58.000 -0.004 0.000 1.037 153 F CB 0.895 39.886 39.000 -0.014 0.000 1.333 153 F HN -0.369 7.968 8.300 0.062 0.000 0.505 154 T N 2.349 116.970 114.554 0.112 0.000 2.902 154 T HA -0.312 4.081 4.350 0.071 0.000 0.317 154 T C 1.560 176.237 174.700 -0.039 0.000 1.064 154 T CA 2.852 64.985 62.100 0.056 0.000 1.130 154 T CB 1.012 69.935 68.868 0.093 0.000 1.073 154 T HN -0.501 7.780 8.240 0.069 0.000 0.524 155 L N 3.629 124.739 121.223 -0.188 0.000 2.646 155 L HA -0.646 3.556 4.340 -0.229 0.000 0.231 155 L C 1.518 178.311 176.870 -0.128 0.000 1.882 155 L CA 4.493 59.191 54.840 -0.237 0.000 0.753 155 L CB -0.909 40.907 42.059 -0.406 0.000 1.432 155 L HN 0.390 8.433 8.230 -0.312 0.000 0.393 156 R N -4.144 116.288 120.500 -0.114 0.000 2.165 156 R HA -0.476 3.809 4.340 -0.093 0.000 0.254 156 R C 1.772 178.051 176.300 -0.035 0.000 1.153 156 R CA 2.535 58.590 56.100 -0.074 0.000 0.971 156 R CB -0.758 29.509 30.300 -0.055 0.000 0.878 156 R HN 0.119 8.311 8.270 -0.131 0.000 0.449 157 D N -2.913 117.495 120.400 0.014 0.000 2.366 157 D HA 0.170 4.825 4.640 0.025 0.000 0.205 157 D C 0.418 176.730 176.300 0.020 0.000 1.022 157 D CA 0.991 55.030 54.000 0.064 0.000 0.868 157 D CB 0.805 41.755 40.800 0.250 0.000 0.953 157 D HN 0.216 8.467 8.370 0.017 0.129 0.514 158 L N -1.874 119.364 121.223 0.025 0.000 2.013 158 L HA -0.129 4.236 4.340 0.041 0.000 0.204 158 L C 1.982 178.883 176.870 0.051 0.000 1.081 158 L CA 2.610 57.477 54.840 0.045 0.000 0.751 158 L CB 0.235 42.327 42.059 0.055 0.000 0.901 158 L HN -0.323 7.773 8.230 0.011 0.141 0.440 159 L N -2.405 118.845 121.223 0.044 0.000 2.137 159 L HA -0.374 4.122 4.340 0.260 0.000 0.213 159 L C 2.325 179.225 176.870 0.049 0.000 1.085 159 L CA 3.329 58.231 54.840 0.104 0.000 0.760 159 L CB -0.636 41.418 42.059 -0.009 0.000 0.893 159 L HN -0.402 7.825 8.230 -0.005 0.000 0.434 160 M N -4.911 114.668 119.600 -0.035 0.000 2.630 160 M HA -0.343 4.093 4.480 -0.074 0.000 0.254 160 M C 1.023 177.263 176.300 -0.101 0.000 1.092 160 M CA 2.108 57.366 55.300 -0.070 0.000 1.087 160 M CB -0.236 32.317 32.600 -0.080 0.000 1.453 160 M HN -0.466 7.775 8.290 -0.043 0.023 0.509 161 V N -0.124 119.719 119.914 -0.119 0.000 2.255 161 V HA -0.170 3.737 4.120 -0.355 0.000 0.243 161 V C -0.893 175.093 176.094 -0.180 0.000 1.038 161 V CA 4.796 66.933 62.300 -0.272 0.000 1.008 161 V CB -3.081 28.462 31.823 -0.467 0.000 0.645 161 V HN 0.531 8.476 8.190 -0.058 0.210 0.449 162 P HA -0.326 4.017 4.420 -0.128 0.000 0.219 162 P C 0.982 178.111 177.300 -0.286 0.000 1.151 162 P CA 3.029 66.039 63.100 -0.149 0.000 0.850 162 P CB -0.779 30.879 31.700 -0.070 0.000 0.784 163 M N -3.731 115.788 119.600 -0.134 0.000 2.202 163 M HA -0.381 4.047 4.480 -0.088 0.000 0.262 163 M C 1.390 177.622 176.300 -0.113 0.000 1.063 163 M CA 2.940 58.179 55.300 -0.102 0.000 1.097 163 M CB -0.598 31.968 32.600 -0.057 0.000 1.382 163 M HN -0.163 8.042 8.290 -0.072 0.042 0.413 164 Q N -3.427 116.292 119.800 -0.135 0.000 2.339 164 Q HA -0.020 4.275 4.340 -0.074 0.000 0.205 164 Q C 1.843 177.793 176.000 -0.083 0.000 0.925 164 Q CA 2.128 57.867 55.803 -0.107 0.000 0.898 164 Q CB 0.657 29.311 28.738 -0.141 0.000 1.013 164 Q HN 0.521 8.540 8.270 -0.162 0.154 0.504 165 R N 0.752 121.193 120.500 -0.098 0.000 2.127 165 R HA -0.381 3.973 4.340 0.024 0.000 0.228 165 R C 1.727 178.059 176.300 0.054 0.000 1.125 165 R CA 3.274 59.361 56.100 -0.022 0.000 0.904 165 R CB -0.568 29.718 30.300 -0.023 0.000 0.831 165 R HN -0.678 7.400 8.270 -0.147 0.105 0.431 166 V N -0.437 119.425 119.914 -0.087 0.000 2.428 166 V HA -0.428 3.790 4.120 0.164 0.000 0.255 166 V C 1.236 177.434 176.094 0.172 0.000 1.080 166 V CA 3.309 65.630 62.300 0.036 0.000 1.083 166 V CB -0.336 31.437 31.823 -0.083 0.000 0.665 166 V HN -0.760 7.192 8.190 -0.396 0.000 0.461 167 L N -3.043 118.224 121.223 0.072 0.000 1.973 167 L HA -0.374 4.104 4.340 0.230 0.000 0.208 167 L C 2.699 179.424 176.870 -0.242 0.000 1.073 167 L CA 2.760 57.627 54.840 0.045 0.000 0.746 167 L CB -0.399 41.677 42.059 0.028 0.000 0.891 167 L HN -0.493 7.605 8.230 0.005 0.135 0.433 168 K N -2.123 118.184 120.400 -0.154 0.000 2.160 168 K HA -0.458 3.710 4.320 -0.254 0.000 0.206 168 K C 2.475 178.974 176.600 -0.168 0.000 1.047 168 K CA 3.175 59.343 56.287 -0.197 0.000 0.930 168 K CB -0.497 31.927 32.500 -0.126 0.000 0.720 168 K HN -0.519 7.683 8.250 -0.080 0.000 0.450 169 Y N -0.919 119.327 120.300 -0.090 0.000 2.002 169 Y HA -0.567 4.055 4.550 0.119 0.000 0.268 169 Y C 2.147 178.104 175.900 0.096 0.000 1.177 169 Y CA 4.631 62.762 58.100 0.051 0.000 1.111 169 Y CB -0.561 37.955 38.460 0.093 0.000 0.952 169 Y HN 0.204 8.533 8.280 0.116 0.020 0.491 170 H N -2.804 116.467 119.070 0.335 0.000 2.421 170 H HA -0.370 4.391 4.556 0.342 0.000 0.298 170 H C 1.843 177.288 175.328 0.196 0.000 1.087 170 H CA 2.428 58.636 56.048 0.266 0.000 1.330 170 H CB -0.400 29.475 29.762 0.187 0.000 1.388 170 H HN -0.449 7.967 8.280 0.226 0.000 0.526 171 L N 0.419 121.414 121.223 -0.379 0.000 1.948 171 L HA -0.359 4.018 4.340 0.063 0.000 0.212 171 L C 1.568 178.441 176.870 0.005 0.000 1.074 171 L CA 2.834 57.587 54.840 -0.143 0.000 0.753 171 L CB -0.385 41.513 42.059 -0.269 0.000 0.888 171 L HN -0.655 6.947 8.230 -0.856 0.114 0.432 172 L N -3.148 118.062 121.223 -0.021 0.000 2.013 172 L HA -0.405 3.927 4.340 -0.013 0.000 0.212 172 L C 2.878 179.796 176.870 0.081 0.000 1.073 172 L CA 2.780 57.626 54.840 0.010 0.000 0.753 172 L CB -1.069 40.979 42.059 -0.018 0.000 0.890 172 L HN 0.519 8.585 8.230 -0.077 0.117 0.432 173 L N -3.481 117.848 121.223 0.176 0.000 2.187 173 L HA -0.361 4.094 4.340 0.193 0.000 0.213 173 L C 1.754 178.725 176.870 0.168 0.000 1.100 173 L CA 2.588 57.569 54.840 0.236 0.000 0.765 173 L CB -1.352 40.984 42.059 0.463 0.000 0.904 173 L HN -0.031 8.319 8.230 0.199 0.000 0.437 174 Q N -1.784 118.113 119.800 0.162 0.000 2.084 174 Q HA -0.371 4.054 4.340 0.143 0.000 0.202 174 Q C 2.160 178.212 176.000 0.087 0.000 0.978 174 Q CA 3.653 59.537 55.803 0.135 0.000 0.844 174 Q CB -0.373 28.455 28.738 0.151 0.000 0.898 174 Q HN -0.069 8.133 8.270 0.167 0.168 0.426 175 E N -1.457 118.777 120.200 0.057 0.000 2.204 175 E HA -0.297 4.064 4.350 0.017 0.000 0.195 175 E C 2.433 179.053 176.600 0.033 0.000 0.990 175 E CA 2.654 59.063 56.400 0.016 0.000 0.821 175 E CB -0.376 29.303 29.700 -0.035 0.000 0.750 175 E HN -0.490 7.809 8.360 0.057 0.095 0.477 176 L N -0.950 120.307 121.223 0.057 0.000 1.973 176 L HA -0.373 4.014 4.340 0.078 0.000 0.208 176 L C 1.821 178.746 176.870 0.093 0.000 1.073 176 L CA 3.177 58.060 54.840 0.073 0.000 0.746 176 L CB -0.389 41.705 42.059 0.058 0.000 0.891 176 L HN -0.813 7.308 8.230 0.065 0.148 0.433 177 V N -1.055 118.902 119.914 0.072 0.000 2.252 177 V HA -0.538 3.608 4.120 0.043 0.000 0.249 177 V C 2.565 178.703 176.094 0.073 0.000 1.056 177 V CA 3.651 65.986 62.300 0.059 0.000 1.022 177 V CB -0.397 31.456 31.823 0.050 0.000 0.641 177 V HN -0.743 7.490 8.190 0.072 0.000 0.445 178 K N -2.125 118.326 120.400 0.086 0.000 2.218 178 K HA -0.268 4.095 4.320 0.072 0.000 0.205 178 K C 1.193 177.883 176.600 0.150 0.000 1.046 178 K CA 2.099 58.444 56.287 0.095 0.000 0.933 178 K CB -0.283 32.269 32.500 0.086 0.000 0.728 178 K HN -0.481 7.818 8.250 0.082 0.000 0.454 179 H N -3.626 115.452 119.070 0.014 0.000 2.553 179 H HA 0.125 4.688 4.556 0.010 0.000 0.276 179 H C -0.035 175.297 175.328 0.006 0.000 0.979 179 H CA 0.266 56.320 56.048 0.010 0.000 1.268 179 H CB 1.142 30.910 29.762 0.010 0.000 1.450 179 H HN -0.306 7.918 8.280 0.200 0.176 0.527 180 T N 1.362 115.957 114.554 0.069 0.000 2.916 180 T HA -0.134 4.212 4.350 -0.006 0.000 0.303 180 T C -1.023 173.664 174.700 -0.022 0.000 1.025 180 T CA 2.600 64.705 62.100 0.009 0.000 1.142 180 T CB 0.529 69.408 68.868 0.017 0.000 0.947 180 T HN -0.424 7.752 8.240 0.104 0.126 0.544 181 Q N 4.173 123.949 119.800 -0.040 0.000 2.353 181 Q HA 0.089 4.409 4.340 -0.034 0.000 0.240 181 Q C 0.177 176.160 176.000 -0.029 0.000 0.868 181 Q CA 0.273 56.052 55.803 -0.040 0.000 0.944 181 Q CB 1.372 30.076 28.738 -0.057 0.000 1.104 181 Q HN 0.416 8.661 8.270 -0.041 0.000 0.531 182 D N 0.022 120.407 120.400 -0.026 0.000 2.335 182 D HA -0.112 4.515 4.640 -0.022 0.000 0.236 182 D C 0.558 176.844 176.300 -0.023 0.000 1.297 182 D CA 0.781 54.768 54.000 -0.023 0.000 0.906 182 D CB 1.357 42.145 40.800 -0.020 0.000 1.164 182 D HN -0.384 7.970 8.370 -0.027 0.000 0.469 183 A N 1.306 124.112 122.820 -0.024 0.000 1.843 183 A HA -0.124 4.180 4.320 -0.026 0.000 0.213 183 A C 1.735 179.297 177.584 -0.038 0.000 1.239 183 A CA 3.062 55.082 52.037 -0.027 0.000 0.606 183 A CB 0.373 19.358 19.000 -0.024 0.000 0.903 183 A HN 0.249 8.386 8.150 -0.021 0.000 0.455 184 T N 0.802 115.333 114.554 -0.038 0.000 2.652 184 T HA -0.441 3.867 4.350 -0.070 0.000 0.267 184 T C 1.787 176.446 174.700 -0.068 0.000 1.039 184 T CA 5.422 67.489 62.100 -0.055 0.000 1.153 184 T CB -0.221 68.624 68.868 -0.038 0.000 0.863 184 T HN 0.274 8.497 8.240 -0.030 0.000 0.428 185 E N -0.267 119.908 120.200 -0.041 0.000 2.086 185 E HA -0.450 3.882 4.350 -0.030 0.000 0.200 185 E C 1.974 178.547 176.600 -0.045 0.000 1.012 185 E CA 3.092 59.472 56.400 -0.034 0.000 0.812 185 E CB -0.479 29.211 29.700 -0.017 0.000 0.743 185 E HN 0.300 8.642 8.360 -0.030 0.000 0.453 186 K N -1.428 118.949 120.400 -0.039 0.000 2.057 186 K HA -0.250 4.058 4.320 -0.020 0.000 0.206 186 K C 2.250 178.817 176.600 -0.055 0.000 1.050 186 K CA 2.659 58.926 56.287 -0.033 0.000 0.935 186 K CB -0.055 32.432 32.500 -0.022 0.000 0.715 186 K HN -0.600 7.630 8.250 -0.035 -0.001 0.439 187 E N -0.371 119.782 120.200 -0.077 0.000 2.001 187 E HA -0.350 3.953 4.350 -0.078 0.000 0.193 187 E C 2.288 178.778 176.600 -0.184 0.000 0.994 187 E CA 3.354 59.691 56.400 -0.104 0.000 0.815 187 E CB -0.106 29.534 29.700 -0.099 0.000 0.770 187 E HN -0.011 8.233 8.360 -0.069 0.075 0.453 188 N N -0.511 118.019 118.700 -0.283 0.000 2.021 188 N HA -0.338 3.944 4.740 -0.763 0.000 0.198 188 N C 2.826 178.054 175.510 -0.470 0.000 1.041 188 N CA 2.893 55.572 53.050 -0.619 0.000 0.862 188 N CB -0.412 37.656 38.487 -0.698 0.000 1.048 188 N HN 0.266 8.412 8.380 -0.220 0.102 0.427 189 L N -0.492 120.607 121.223 -0.206 0.000 2.089 189 L HA -0.346 3.976 4.340 -0.030 0.000 0.213 189 L C 1.423 178.268 176.870 -0.041 0.000 1.079 189 L CA 3.274 58.069 54.840 -0.075 0.000 0.758 189 L CB -0.273 41.762 42.059 -0.041 0.000 0.891 189 L HN -0.457 7.671 8.230 -0.169 0.000 0.433 190 R N -2.064 118.403 120.500 -0.055 0.000 2.103 190 R HA -0.336 4.020 4.340 0.026 0.000 0.242 190 R C 2.194 178.503 176.300 0.014 0.000 1.142 190 R CA 2.622 58.716 56.100 -0.009 0.000 0.960 190 R CB -1.004 29.281 30.300 -0.026 0.000 0.858 190 R HN -0.738 7.372 8.270 -0.087 0.108 0.439 191 L N -1.311 119.890 121.223 -0.036 0.000 2.043 191 L HA -0.315 4.041 4.340 0.026 0.000 0.212 191 L C 1.089 178.040 176.870 0.136 0.000 1.075 191 L CA 2.954 57.807 54.840 0.022 0.000 0.752 191 L CB -0.953 41.082 42.059 -0.040 0.000 0.891 191 L HN -0.267 7.787 8.230 -0.124 0.102 0.432 192 A N -2.229 120.701 122.820 0.183 0.000 1.884 192 A HA -0.375 4.185 4.320 0.400 0.000 0.219 192 A C 2.256 180.075 177.584 0.392 0.000 1.197 192 A CA 2.909 55.137 52.037 0.319 0.000 0.637 192 A CB -0.899 18.146 19.000 0.075 0.000 0.827 192 A HN -0.780 7.353 8.150 0.115 0.086 0.450 193 L N -3.028 118.372 121.223 0.295 0.000 2.083 193 L HA -0.422 4.146 4.340 0.380 0.000 0.209 193 L C 2.247 179.222 176.870 0.175 0.000 1.083 193 L CA 3.841 58.847 54.840 0.277 0.000 0.752 193 L CB -0.511 41.676 42.059 0.213 0.000 0.899 193 L HN -0.610 7.746 8.230 0.210 0.000 0.433 194 D N -0.997 119.480 120.400 0.129 0.000 2.190 194 D HA -0.355 4.319 4.640 0.057 0.000 0.200 194 D C 0.855 177.201 176.300 0.077 0.000 0.992 194 D CA 3.657 57.705 54.000 0.080 0.000 0.854 194 D CB 0.004 40.841 40.800 0.063 0.000 0.936 194 D HN -0.167 8.167 8.370 0.130 0.113 0.462 195 A N -2.340 120.548 122.820 0.113 0.000 1.887 195 A HA 0.035 4.385 4.320 0.050 0.000 0.212 195 A C 1.907 179.533 177.584 0.069 0.000 1.198 195 A CA 2.258 54.343 52.037 0.080 0.000 0.628 195 A CB 0.302 19.356 19.000 0.089 0.000 0.847 195 A HN -0.605 7.502 8.150 0.162 0.141 0.449 196 M N -1.205 118.472 119.600 0.128 0.000 2.073 196 M HA -0.507 4.020 4.480 0.078 0.000 0.258 196 M C 2.365 178.734 176.300 0.114 0.000 1.070 196 M CA 3.821 59.209 55.300 0.146 0.000 1.103 196 M CB -0.586 32.185 32.600 0.285 0.000 1.321 196 M HN -0.313 8.097 8.290 0.201 0.000 0.405 197 R N -2.948 117.579 120.500 0.045 0.000 2.159 197 R HA -0.314 3.759 4.340 -0.445 0.000 0.237 197 R C 2.502 178.749 176.300 -0.089 0.000 1.131 197 R CA 3.782 59.789 56.100 -0.155 0.000 0.982 197 R CB -0.490 29.740 30.300 -0.117 0.000 0.868 197 R HN 0.549 8.759 8.270 0.105 0.123 0.453 198 D N -1.294 119.096 120.400 -0.018 0.000 2.123 198 D HA -0.203 4.425 4.640 -0.020 0.000 0.200 198 D C 1.770 178.068 176.300 -0.002 0.000 0.976 198 D CA 3.176 57.170 54.000 -0.011 0.000 0.831 198 D CB 0.305 41.106 40.800 0.002 0.000 0.974 198 D HN -0.545 7.672 8.370 0.011 0.160 0.469 199 L N -0.355 120.878 121.223 0.017 0.000 1.988 199 L HA -0.320 4.031 4.340 0.019 0.000 0.207 199 L C 1.748 178.648 176.870 0.050 0.000 1.071 199 L CA 3.030 57.892 54.840 0.035 0.000 0.744 199 L CB -0.346 41.749 42.059 0.060 0.000 0.893 199 L HN -0.668 7.483 8.230 0.026 0.094 0.433 200 A N -2.948 119.917 122.820 0.074 0.000 2.054 200 A HA -0.451 3.942 4.320 0.122 0.000 0.223 200 A C 2.171 179.776 177.584 0.035 0.000 1.169 200 A CA 3.314 55.405 52.037 0.089 0.000 0.655 200 A CB -0.739 18.328 19.000 0.112 0.000 0.812 200 A HN -0.282 7.923 8.150 0.092 0.000 0.462 201 Q N -4.478 115.323 119.800 0.002 0.000 2.396 201 Q HA -0.048 4.293 4.340 0.002 0.000 0.209 201 Q C 0.644 176.647 176.000 0.006 0.000 0.906 201 Q CA 1.648 57.449 55.803 -0.003 0.000 0.927 201 Q CB 0.622 29.348 28.738 -0.020 0.000 1.069 201 Q HN -0.321 7.803 8.270 -0.010 0.140 0.523 202 C N -0.706 118.601 119.300 0.011 0.000 2.609 202 C HA 0.048 4.513 4.460 0.007 0.000 0.305 202 C C 2.017 177.020 174.990 0.022 0.000 1.319 202 C CA 0.658 59.683 59.018 0.011 0.000 1.793 202 C CB 1.463 29.207 27.740 0.005 0.000 2.260 202 C HN 0.384 8.422 8.230 0.016 0.202 0.535 203 V N -0.120 119.816 119.914 0.035 0.000 2.453 203 V HA -0.252 3.900 4.120 0.052 0.000 0.247 203 V C 0.751 176.870 176.094 0.041 0.000 1.048 203 V CA 3.931 66.262 62.300 0.052 0.000 1.049 203 V CB -0.191 31.680 31.823 0.080 0.000 0.672 203 V HN 0.734 8.820 8.190 0.038 0.126 0.457 204 N N -2.675 116.045 118.700 0.034 0.000 2.378 204 N HA 0.061 4.814 4.740 0.021 0.000 0.243 204 N C -1.019 174.500 175.510 0.016 0.000 1.137 204 N CA -0.072 52.992 53.050 0.024 0.000 0.862 204 N CB -0.062 38.442 38.487 0.027 0.000 1.116 204 N HN -0.579 7.823 8.380 0.036 0.000 0.499 205 E N -0.827 119.382 120.200 0.015 0.000 3.625 205 E HA 0.054 4.408 4.350 0.007 0.000 0.166 205 E C -1.110 175.495 176.600 0.008 0.000 0.978 205 E CA -0.304 56.101 56.400 0.009 0.000 1.429 205 E CB 0.665 30.369 29.700 0.007 0.000 1.100 205 E HN -0.596 7.672 8.360 0.019 0.103 0.428 206 V N 2.744 122.664 119.914 0.010 0.000 2.313 206 V HA -0.097 4.028 4.120 0.009 0.000 0.252 206 V C -0.301 175.796 176.094 0.004 0.000 1.112 206 V CA 0.575 62.880 62.300 0.009 0.000 0.984 206 V CB -0.963 30.868 31.823 0.014 0.000 1.157 206 V HN 0.146 8.343 8.190 0.011 0.000 0.493 207 K N 6.312 126.714 120.400 0.003 0.000 2.017 207 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 207 K C 0.406 177.006 176.600 0.001 0.000 1.035 207 K CA 0.984 57.272 56.287 0.001 0.000 0.947 207 K CB 0.443 32.943 32.500 0.000 0.000 0.749 207 K HN -0.042 8.210 8.250 0.003 0.000 0.443 208 R N 0.000 120.501 120.500 0.001 0.000 2.786 208 R HA 0.000 4.340 4.340 0.001 0.000 0.208 208 R CA 0.000 56.101 56.100 0.001 0.000 0.921 208 R CB 0.000 30.301 30.300 0.001 0.000 0.687 208 R HN 0.000 8.271 8.270 0.002 0.000 0.535