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 2evz_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRIAIPGLAG AGNSVLLVSN LNPERVTPQS LFILFGVYGD VQRVKILFNK DATA SEQUENCE KENALVQMAD GNQAQLAMSH LNGHKLHGKP IRITLSKHQN VQLPREGQED DATA SEQUENCE QGLTKDYGNS PLHRFKKPGS KNFQNIFPPS ATLHLSNIPP SVSEEDLKVL DATA SEQUENCE FSSNGGVVKG FKFFQKDRKM ALIQMGSVEE AVQALIDLHN HDLGENHHLR DATA SEQUENCE VSFSKSTI 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 3.958 3.960 -0.003 0.000 0.244 1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 R N 3.911 124.409 120.500 -0.003 0.000 3.072 2 R HA 0.025 4.363 4.340 -0.003 0.000 0.220 2 R C 0.168 176.466 176.300 -0.004 0.000 1.627 2 R CA -0.088 56.010 56.100 -0.004 0.000 1.079 2 R CB -2.242 28.056 30.300 -0.003 0.000 1.217 2 R HN 0.064 8.332 8.270 -0.003 0.000 0.615 3 I N -2.710 117.858 120.570 -0.004 0.000 4.702 3 I HA 0.437 4.604 4.170 -0.005 0.000 0.184 3 I C 0.061 176.175 176.117 -0.004 0.000 0.991 3 I CA -0.611 60.687 61.300 -0.004 0.000 1.697 3 I CB 0.976 38.973 38.000 -0.004 0.000 1.272 3 I HN -0.649 7.559 8.210 -0.004 0.000 0.408 4 A N 0.264 123.081 122.820 -0.004 0.000 2.732 4 A HA -0.232 4.085 4.320 -0.005 0.000 0.291 4 A C -0.679 176.902 177.584 -0.005 0.000 1.440 4 A CA 1.666 53.700 52.037 -0.005 0.000 0.967 4 A CB -0.476 18.522 19.000 -0.004 0.000 0.946 4 A HN 0.322 8.469 8.150 -0.004 0.000 0.580 5 I N -1.838 118.729 120.570 -0.006 0.000 2.795 5 I HA 0.124 4.289 4.170 -0.007 0.000 0.314 5 I C -2.405 173.708 176.117 -0.007 0.000 1.502 5 I CA -1.309 59.987 61.300 -0.007 0.000 0.781 5 I CB 0.859 38.855 38.000 -0.007 0.000 1.902 5 I HN -0.502 7.655 8.210 -0.005 0.050 0.681 6 P HA 0.231 4.647 4.420 -0.006 0.000 0.271 6 P C 0.015 177.311 177.300 -0.007 0.000 1.216 6 P CA 0.221 63.318 63.100 -0.006 0.000 0.771 6 P CB 0.341 32.037 31.700 -0.005 0.000 0.864 7 G N 1.661 110.456 108.800 -0.008 0.000 2.204 7 G HA2 -0.237 3.718 3.960 -0.008 0.000 0.153 7 G HA3 -0.237 3.717 3.960 -0.010 0.000 0.153 7 G C 0.047 174.941 174.900 -0.011 0.000 1.295 7 G CA -0.586 44.508 45.100 -0.009 0.000 1.257 7 G HN -0.282 8.004 8.290 -0.007 0.000 0.495 8 L N 2.402 123.616 121.223 -0.014 0.000 3.374 8 L HA -0.490 3.838 4.340 -0.020 0.000 0.169 8 L C 1.926 178.787 176.870 -0.016 0.000 4.401 8 L CA 2.399 57.229 54.840 -0.016 0.000 0.479 8 L CB -0.594 41.456 42.059 -0.015 0.000 3.499 8 L HN 0.433 8.654 8.230 -0.014 0.000 0.485 9 A N 0.108 122.920 122.820 -0.013 0.000 1.824 9 A HA -0.100 4.212 4.320 -0.013 0.000 0.215 9 A C 2.306 179.885 177.584 -0.010 0.000 1.209 9 A CA 2.293 54.323 52.037 -0.011 0.000 0.614 9 A CB -0.234 18.761 19.000 -0.009 0.000 0.852 9 A HN 0.260 8.279 8.150 -0.012 0.124 0.447 10 G N -2.177 106.619 108.800 -0.008 0.000 3.186 10 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.214 10 G HA3 -0.116 3.841 3.960 -0.004 0.000 0.214 10 G C -1.274 173.623 174.900 -0.006 0.000 1.222 10 G CA -0.556 44.541 45.100 -0.006 0.000 0.921 10 G HN 0.354 8.639 8.290 -0.007 0.000 0.504 11 A N -0.287 122.527 122.820 -0.010 0.000 2.312 11 A HA 0.272 4.588 4.320 -0.006 0.000 0.328 11 A C -0.613 176.965 177.584 -0.010 0.000 1.158 11 A CA -0.208 51.824 52.037 -0.010 0.000 0.821 11 A CB 1.319 20.312 19.000 -0.012 0.000 1.170 11 A HN -0.819 7.288 8.150 -0.013 0.036 0.490 12 G N -0.218 108.579 108.800 -0.005 0.000 2.862 12 G HA2 -0.155 3.806 3.960 0.002 0.000 0.686 12 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.686 12 G C -1.576 173.328 174.900 0.007 0.000 1.134 12 G CA -0.445 44.655 45.100 -0.000 0.000 0.791 12 G HN -0.128 8.161 8.290 -0.003 0.000 0.592 13 N N 0.815 119.525 118.700 0.016 0.000 1.952 13 N HA -0.036 4.716 4.740 0.021 0.000 0.228 13 N C 0.110 175.640 175.510 0.034 0.000 1.398 13 N CA -0.157 52.907 53.050 0.024 0.000 0.817 13 N CB 1.316 39.816 38.487 0.022 0.000 1.101 13 N HN 0.023 8.477 8.380 0.018 -0.063 0.498 14 S N -2.052 113.671 115.700 0.039 0.000 1.694 14 S HA -0.403 4.278 4.470 0.058 -0.176 0.236 14 S C -0.204 174.431 174.600 0.058 0.000 0.821 14 S CA 2.224 60.454 58.200 0.049 0.000 1.530 14 S CB -1.783 61.440 63.200 0.039 0.000 1.703 14 S HN -0.058 8.258 8.310 0.035 0.015 0.517 15 V N 5.522 125.469 119.914 0.056 0.000 2.620 15 V HA -0.305 3.840 4.120 0.042 0.000 0.250 15 V C -0.279 175.853 176.094 0.065 0.000 0.990 15 V CA 0.754 63.089 62.300 0.059 0.000 1.196 15 V CB -2.618 29.254 31.823 0.081 0.000 1.075 15 V HN -0.482 7.739 8.190 0.051 0.000 0.473 16 L N 4.385 125.646 121.223 0.064 0.000 2.543 16 L HA 0.021 4.415 4.340 0.090 0.000 0.231 16 L C -0.675 176.226 176.870 0.053 0.000 1.194 16 L CA -0.759 54.132 54.840 0.085 0.000 0.823 16 L CB 0.822 42.999 42.059 0.197 0.000 1.374 16 L HN 0.105 8.307 8.230 0.051 0.059 0.507 17 L N -3.606 117.666 121.223 0.083 0.000 2.327 17 L HA 0.695 5.216 4.340 0.037 -0.159 0.258 17 L C -1.377 175.565 176.870 0.120 0.000 1.024 17 L CA -1.413 53.470 54.840 0.071 0.000 0.825 17 L CB 4.725 46.823 42.059 0.065 0.000 1.386 17 L HN -0.310 7.985 8.230 0.108 0.000 0.417 18 V N 2.103 122.082 119.914 0.107 0.000 2.443 18 V HA 0.339 4.584 4.120 0.208 0.000 0.272 18 V C -2.106 174.051 176.094 0.105 0.000 1.002 18 V CA -1.235 61.151 62.300 0.145 0.000 0.840 18 V CB 0.409 32.303 31.823 0.119 0.000 1.042 18 V HN 0.025 8.259 8.190 0.074 0.000 0.446 19 S N 5.348 121.107 115.700 0.098 0.000 2.709 19 S HA 0.638 5.296 4.470 0.075 -0.143 0.302 19 S C -1.083 173.563 174.600 0.077 0.000 1.127 19 S CA -2.557 55.691 58.200 0.080 0.000 0.905 19 S CB 2.317 65.555 63.200 0.064 0.000 1.151 19 S HN -0.145 8.129 8.310 0.103 0.098 0.510 20 N N -0.887 117.852 118.700 0.066 0.000 2.989 20 N HA -0.271 4.500 4.740 0.051 0.000 0.247 20 N C -1.163 174.389 175.510 0.071 0.000 1.119 20 N CA 0.436 53.523 53.050 0.061 0.000 0.755 20 N CB -0.300 38.224 38.487 0.061 0.000 1.100 20 N HN -0.048 8.369 8.380 0.062 0.000 0.550 21 L N -1.166 120.100 121.223 0.072 0.000 2.628 21 L HA -0.079 4.315 4.340 0.089 0.000 0.274 21 L C -0.531 176.368 176.870 0.048 0.000 1.209 21 L CA 0.883 55.765 54.840 0.071 0.000 0.930 21 L CB -0.012 42.088 42.059 0.068 0.000 1.183 21 L HN -0.805 7.465 8.230 0.068 0.000 0.492 22 N N 6.507 125.232 118.700 0.041 0.000 2.492 22 N HA 0.046 4.799 4.740 0.021 0.000 0.260 22 N C -0.635 174.874 175.510 -0.001 0.000 1.215 22 N CA -1.156 51.903 53.050 0.014 0.000 0.923 22 N CB -0.695 37.793 38.487 0.002 0.000 1.092 22 N HN -0.044 8.363 8.380 0.045 0.000 0.448 23 P HA -0.318 4.096 4.420 -0.009 0.000 0.212 23 P C 1.724 178.997 177.300 -0.046 0.000 1.128 23 P CA 2.752 65.839 63.100 -0.021 0.000 0.961 23 P CB 0.245 31.926 31.700 -0.032 0.000 0.782 24 E N -3.687 116.476 120.200 -0.063 0.000 2.077 24 E HA -0.240 4.066 4.350 -0.073 0.000 0.193 24 E C 1.426 177.950 176.600 -0.127 0.000 0.989 24 E CA 2.237 58.588 56.400 -0.081 0.000 0.800 24 E CB -0.084 29.573 29.700 -0.072 0.000 0.746 24 E HN 0.357 8.681 8.360 -0.060 0.000 0.452 25 R N -4.964 115.417 120.500 -0.198 0.000 2.128 25 R HA -0.010 4.064 4.340 -0.443 0.000 0.211 25 R C 0.085 176.001 176.300 -0.640 0.000 1.067 25 R CA 0.167 55.996 56.100 -0.452 0.000 1.010 25 R CB 1.167 31.252 30.300 -0.358 0.000 0.922 25 R HN -0.532 7.598 8.270 -0.137 0.058 0.457 26 V N -1.266 118.505 119.914 -0.238 0.000 2.530 26 V HA 0.010 4.171 4.120 0.069 0.000 0.282 26 V C 0.100 176.216 176.094 0.036 0.000 1.048 26 V CA -0.456 61.839 62.300 -0.009 0.000 0.997 26 V CB -0.406 31.481 31.823 0.108 0.000 0.987 26 V HN -0.725 7.391 8.190 -0.124 0.000 0.477 27 T N 5.360 119.983 114.554 0.116 0.000 2.932 27 T HA 0.574 4.983 4.350 0.098 0.000 0.289 27 T C -1.090 173.700 174.700 0.150 0.000 1.039 27 T CA -3.747 58.428 62.100 0.124 0.000 1.024 27 T CB 2.095 71.026 68.868 0.104 0.000 1.090 27 T HN -0.413 7.943 8.240 0.194 0.000 0.496 28 P HA -0.178 4.328 4.420 0.143 0.000 0.218 28 P C 0.462 177.889 177.300 0.210 0.000 1.148 28 P CA 2.587 65.784 63.100 0.161 0.000 0.822 28 P CB 0.447 32.242 31.700 0.159 0.000 0.784 29 Q N -4.929 115.014 119.800 0.239 0.000 2.373 29 Q HA 0.015 4.656 4.340 0.501 0.000 0.210 29 Q C 1.934 178.120 176.000 0.311 0.000 0.913 29 Q CA 1.770 57.797 55.803 0.372 0.000 0.911 29 Q CB -0.228 28.696 28.738 0.311 0.000 1.040 29 Q HN -0.548 7.844 8.270 0.204 0.000 0.521 30 S N 2.296 118.123 115.700 0.212 0.000 2.359 30 S HA -0.395 4.145 4.470 0.117 0.000 0.223 30 S C 1.794 176.476 174.600 0.137 0.000 1.039 30 S CA 3.385 61.674 58.200 0.149 0.000 1.042 30 S CB -0.035 63.291 63.200 0.210 0.000 0.915 30 S HN -0.554 7.883 8.310 0.212 0.000 0.439 31 L N -1.713 119.617 121.223 0.178 0.000 2.027 31 L HA -0.214 4.283 4.340 0.261 0.000 0.206 31 L C 1.614 178.576 176.870 0.154 0.000 1.074 31 L CA 2.424 57.371 54.840 0.178 0.000 0.745 31 L CB -1.425 40.707 42.059 0.121 0.000 0.898 31 L HN -0.907 7.440 8.230 0.195 0.000 0.433 32 F N 0.501 120.436 119.950 -0.025 0.000 2.063 32 F HA -0.482 3.905 4.527 -0.233 0.000 0.298 32 F C 1.552 177.370 175.800 0.030 0.000 1.109 32 F CA 2.337 60.248 58.000 -0.148 0.000 1.212 32 F CB -0.269 38.512 39.000 -0.366 0.000 0.973 32 F HN -0.867 7.556 8.300 0.205 0.000 0.480 33 I N -0.794 119.300 120.570 -0.793 0.000 2.068 33 I HA -0.634 2.851 4.170 -1.141 0.000 0.238 33 I C 1.974 177.896 176.117 -0.324 0.000 1.046 33 I CA 3.824 64.693 61.300 -0.720 0.000 1.306 33 I CB -0.106 37.697 38.000 -0.329 0.000 1.023 33 I HN -0.734 7.155 8.210 -0.534 0.000 0.399 34 L N -2.769 118.410 121.223 -0.074 0.000 2.109 34 L HA -0.289 3.843 4.340 -0.347 0.000 0.207 34 L C 2.216 179.049 176.870 -0.062 0.000 1.086 34 L CA 2.348 57.088 54.840 -0.167 0.000 0.760 34 L CB -0.834 41.218 42.059 -0.011 0.000 0.910 34 L HN -0.758 7.420 8.230 -0.086 0.000 0.437 35 F N -1.652 118.284 119.950 -0.023 0.000 2.171 35 F HA -0.218 4.413 4.527 0.173 0.000 0.300 35 F C 2.554 178.366 175.800 0.020 0.000 1.090 35 F CA 3.612 61.647 58.000 0.058 0.000 1.293 35 F CB -0.335 38.684 39.000 0.032 0.000 1.013 35 F HN -0.742 7.866 8.300 0.557 0.026 0.486 36 G N -5.258 103.600 108.800 0.096 0.000 3.124 36 G HA2 -0.022 4.112 3.960 0.122 0.000 0.212 36 G HA3 -0.022 3.944 3.960 -0.065 -0.045 0.212 36 G C -0.085 174.836 174.900 0.035 0.000 1.181 36 G CA 0.634 45.752 45.100 0.031 0.000 0.803 36 G HN 0.328 8.503 8.290 0.027 0.131 0.529 37 V N -3.352 116.546 119.914 -0.025 0.000 3.219 37 V HA 0.174 4.308 4.120 0.023 0.000 0.240 37 V C -0.074 176.058 176.094 0.063 0.000 1.222 37 V CA 0.697 62.959 62.300 -0.064 0.000 1.181 37 V CB 0.940 32.572 31.823 -0.319 0.000 0.941 37 V HN -0.628 7.336 8.190 -0.189 0.113 0.471 38 Y N -0.424 119.880 120.300 0.006 0.000 2.220 38 Y HA -0.230 4.250 4.550 -0.116 0.000 0.291 38 Y C 0.971 176.902 175.900 0.051 0.000 1.129 38 Y CA 2.288 60.340 58.100 -0.080 0.000 1.161 38 Y CB 0.277 38.615 38.460 -0.202 0.000 0.997 38 Y HN -0.645 7.760 8.280 0.208 0.000 0.522 39 G N -3.331 105.641 108.800 0.287 0.000 3.377 39 G HA2 0.128 4.159 3.960 0.119 0.000 0.182 39 G HA3 0.128 4.155 3.960 0.113 0.000 0.182 39 G C -2.708 172.309 174.900 0.195 0.000 1.166 39 G CA -0.833 44.371 45.100 0.173 0.000 0.771 39 G HN -0.189 8.131 8.290 0.259 0.126 0.701 40 D N 0.960 121.414 120.400 0.090 0.000 2.735 40 D HA 0.034 4.736 4.640 0.103 0.000 0.291 40 D C -0.392 175.947 176.300 0.065 0.000 1.205 40 D CA -0.796 53.239 54.000 0.059 0.000 0.777 40 D CB 0.762 41.539 40.800 -0.038 0.000 1.234 40 D HN -0.036 8.381 8.370 0.079 0.000 0.520 41 V N 3.080 123.063 119.914 0.115 0.000 2.814 41 V HA -0.481 3.705 4.120 0.111 0.000 0.298 41 V C -0.339 175.801 176.094 0.077 0.000 1.195 41 V CA 2.059 64.420 62.300 0.101 0.000 1.323 41 V CB 0.740 32.625 31.823 0.104 0.000 0.842 41 V HN -0.352 7.998 8.190 0.138 -0.077 0.494 42 Q N 6.820 126.658 119.800 0.063 0.000 2.036 42 Q HA -0.034 4.438 4.340 0.051 -0.100 0.195 42 Q C -0.001 176.061 176.000 0.103 0.000 0.971 42 Q CA 2.061 57.902 55.803 0.063 0.000 0.826 42 Q CB 1.495 30.258 28.738 0.041 0.000 0.896 42 Q HN -0.120 8.184 8.270 0.056 0.000 0.449 43 R N -5.115 115.436 120.500 0.084 0.000 2.668 43 R HA 0.219 4.757 4.340 0.187 -0.085 0.272 43 R C -2.528 173.816 176.300 0.073 0.000 1.019 43 R CA -0.783 55.384 56.100 0.112 0.000 0.894 43 R CB 4.744 35.072 30.300 0.046 0.000 1.228 43 R HN -0.505 7.795 8.270 0.050 0.000 0.460 44 V N 2.220 122.207 119.914 0.122 0.000 2.443 44 V HA 0.392 4.504 4.120 -0.014 0.000 0.293 44 V C -1.724 174.406 176.094 0.059 0.000 1.021 44 V CA -1.730 60.615 62.300 0.076 0.000 0.848 44 V CB 1.241 33.119 31.823 0.093 0.000 0.998 44 V HN 0.044 8.376 8.190 0.237 0.000 0.424 45 K N 5.932 126.338 120.400 0.011 0.000 2.328 45 K HA 0.796 5.289 4.320 0.002 -0.172 0.246 45 K C -1.015 175.590 176.600 0.008 0.000 0.955 45 K CA -2.194 54.093 56.287 -0.001 0.000 0.817 45 K CB 4.486 36.974 32.500 -0.021 0.000 1.208 45 K HN 0.749 8.987 8.250 -0.020 0.000 0.432 46 I N 1.277 121.857 120.570 0.017 0.000 2.569 46 I HA 0.122 4.320 4.170 0.046 0.000 0.296 46 I C -1.970 174.178 176.117 0.050 0.000 1.028 46 I CA -1.051 60.281 61.300 0.053 0.000 1.082 46 I CB 3.676 41.738 38.000 0.104 0.000 1.264 46 I HN 0.240 8.461 8.210 0.017 0.000 0.429 47 L N 4.888 126.157 121.223 0.076 0.000 2.417 47 L HA 0.376 4.742 4.340 0.044 0.000 0.258 47 L C 1.125 178.098 176.870 0.172 0.000 1.088 47 L CA -1.271 53.618 54.840 0.082 0.000 0.975 47 L CB -0.585 41.510 42.059 0.061 0.000 1.341 47 L HN 0.610 8.773 8.230 0.077 0.112 0.431 48 F N 4.546 124.506 119.950 0.017 0.000 2.128 48 F HA -0.642 3.895 4.527 0.016 0.000 0.272 48 F C -0.520 175.288 175.800 0.012 0.000 1.090 48 F CA 3.424 61.433 58.000 0.014 0.000 1.405 48 F CB 0.447 39.453 39.000 0.011 0.000 0.898 48 F HN 0.264 8.606 8.300 0.207 0.083 0.496 49 N N -5.349 113.520 118.700 0.281 0.000 2.162 49 N HA 0.025 4.809 4.740 0.073 0.000 0.232 49 N C -0.916 174.674 175.510 0.132 0.000 1.361 49 N CA -0.216 52.918 53.050 0.140 0.000 0.786 49 N CB -0.143 38.409 38.487 0.108 0.000 1.290 49 N HN -0.216 8.382 8.380 0.363 0.000 0.505 50 K N 0.498 120.975 120.400 0.128 0.000 2.107 50 K HA 0.007 4.373 4.320 0.077 0.000 0.211 50 K C 0.949 177.588 176.600 0.064 0.000 1.024 50 K CA 2.124 58.461 56.287 0.084 0.000 0.953 50 K CB 0.757 33.295 32.500 0.064 0.000 0.831 50 K HN -0.282 8.056 8.250 0.147 0.000 0.454 51 K N -2.351 118.086 120.400 0.062 0.000 2.399 51 K HA 0.112 4.458 4.320 0.044 0.000 0.196 51 K C -0.342 176.288 176.600 0.049 0.000 1.103 51 K CA -0.218 56.099 56.287 0.050 0.000 0.986 51 K CB 1.370 33.896 32.500 0.044 0.000 0.952 51 K HN -0.470 7.825 8.250 0.075 0.000 0.541 52 E N -2.196 118.037 120.200 0.056 0.000 2.287 52 E HA -0.314 4.072 4.350 0.060 0.000 0.229 52 E C -2.190 174.446 176.600 0.060 0.000 1.194 52 E CA 0.839 57.272 56.400 0.055 0.000 0.704 52 E CB -1.927 27.800 29.700 0.045 0.000 1.216 52 E HN 0.154 8.552 8.360 0.063 0.000 0.381 53 N N -3.514 115.225 118.700 0.064 0.000 2.405 53 N HA 0.792 5.794 4.740 0.066 -0.222 0.285 53 N C -2.380 173.169 175.510 0.065 0.000 1.262 53 N CA -0.795 52.293 53.050 0.063 0.000 0.773 53 N CB 4.784 43.303 38.487 0.055 0.000 1.490 53 N HN -0.508 7.913 8.380 0.069 0.000 0.486 54 A N 0.325 123.178 122.820 0.054 0.000 2.335 54 A HA 0.495 4.839 4.320 0.039 0.000 0.304 54 A C -2.589 174.992 177.584 -0.004 0.000 1.118 54 A CA -1.524 50.530 52.037 0.029 0.000 0.757 54 A CB 2.342 21.352 19.000 0.016 0.000 1.188 54 A HN 0.666 8.853 8.150 0.062 0.000 0.460 55 L N 5.389 126.605 121.223 -0.011 0.000 2.255 55 L HA 0.718 5.270 4.340 -0.027 -0.228 0.289 55 L C -1.775 175.045 176.870 -0.083 0.000 1.046 55 L CA -2.064 52.757 54.840 -0.031 0.000 0.816 55 L CB 1.347 43.409 42.059 0.005 0.000 1.197 55 L HN -0.069 8.033 8.230 -0.017 0.117 0.427 56 V N 8.036 127.852 119.914 -0.163 0.000 2.313 56 V HA 0.132 4.087 4.120 -0.275 0.000 0.278 56 V C -2.093 173.899 176.094 -0.171 0.000 1.017 56 V CA -0.519 61.584 62.300 -0.328 0.000 0.823 56 V CB 0.723 32.078 31.823 -0.779 0.000 1.010 56 V HN 0.053 8.166 8.190 -0.128 0.000 0.443 57 Q N 8.307 128.057 119.800 -0.083 0.000 2.398 57 Q HA 0.280 4.702 4.340 0.000 -0.081 0.251 57 Q C -1.493 174.513 176.000 0.010 0.000 0.999 57 Q CA -1.234 54.562 55.803 -0.012 0.000 0.874 57 Q CB 1.893 30.628 28.738 -0.005 0.000 1.215 57 Q HN 0.499 8.717 8.270 -0.085 0.000 0.470 58 M N 5.383 125.013 119.600 0.049 0.000 2.245 58 M HA 0.020 4.563 4.480 0.104 0.000 0.292 58 M C -0.970 175.374 176.300 0.073 0.000 1.176 58 M CA -0.849 54.511 55.300 0.099 0.000 1.035 58 M CB 1.337 34.049 32.600 0.187 0.000 1.440 58 M HN 0.392 8.713 8.290 0.051 0.000 0.494 59 A N 0.744 123.609 122.820 0.076 0.000 1.940 59 A HA -0.193 4.147 4.320 0.033 0.000 0.219 59 A C -0.503 177.100 177.584 0.031 0.000 1.176 59 A CA 2.081 54.142 52.037 0.041 0.000 0.631 59 A CB 0.213 19.220 19.000 0.011 0.000 0.814 59 A HN 0.445 8.660 8.150 0.108 0.000 0.446 60 D N -7.897 112.530 120.400 0.045 0.000 3.038 60 D HA -0.090 4.564 4.640 0.023 0.000 0.351 60 D C 0.169 176.490 176.300 0.035 0.000 1.442 60 D CA -0.379 53.638 54.000 0.029 0.000 0.802 60 D CB 0.254 41.056 40.800 0.003 0.000 1.406 60 D HN -0.899 7.510 8.370 0.065 0.000 0.488 61 G N -1.119 107.691 108.800 0.016 0.000 2.616 61 G HA2 -0.287 3.687 3.960 0.023 0.000 0.215 61 G HA3 -0.287 3.675 3.960 0.002 0.000 0.215 61 G C 1.100 176.009 174.900 0.015 0.000 1.284 61 G CA 1.759 46.868 45.100 0.014 0.000 0.823 61 G HN 0.405 8.696 8.290 0.001 0.000 0.569 62 N N 0.325 119.023 118.700 -0.004 0.000 2.334 62 N HA -0.306 4.574 4.740 -0.009 -0.146 0.187 62 N C 2.061 177.637 175.510 0.110 0.000 1.016 62 N CA 3.079 56.130 53.050 0.002 0.000 0.879 62 N CB -0.339 38.099 38.487 -0.082 0.000 0.965 62 N HN 0.212 8.577 8.380 -0.024 0.000 0.438 63 Q N -1.311 118.569 119.800 0.134 0.000 1.969 63 Q HA -0.251 4.213 4.340 0.206 0.000 0.198 63 Q C 1.734 177.770 176.000 0.059 0.000 0.978 63 Q CA 2.381 58.275 55.803 0.152 0.000 0.830 63 Q CB -1.070 27.745 28.738 0.128 0.000 0.896 63 Q HN -0.848 7.401 8.270 0.086 0.072 0.431 64 A N 0.225 123.093 122.820 0.079 0.000 1.927 64 A HA -0.446 3.981 4.320 0.179 0.000 0.220 64 A C 2.359 179.948 177.584 0.007 0.000 1.185 64 A CA 3.345 55.440 52.037 0.097 0.000 0.639 64 A CB -0.909 18.147 19.000 0.094 0.000 0.820 64 A HN -0.079 8.117 8.150 0.078 0.000 0.451 65 Q N -1.581 118.208 119.800 -0.017 0.000 1.967 65 Q HA -0.347 3.969 4.340 -0.040 0.000 0.202 65 Q C 2.525 178.427 176.000 -0.162 0.000 0.985 65 Q CA 2.987 58.755 55.803 -0.058 0.000 0.839 65 Q CB -0.084 28.635 28.738 -0.031 0.000 0.906 65 Q HN -0.249 8.042 8.270 0.014 -0.013 0.423 66 L N -0.419 120.677 121.223 -0.211 0.000 2.021 66 L HA -0.492 3.570 4.340 -0.464 0.000 0.215 66 L C 1.499 177.937 176.870 -0.720 0.000 1.074 66 L CA 2.850 57.398 54.840 -0.486 0.000 0.760 66 L CB -0.176 41.551 42.059 -0.552 0.000 0.889 66 L HN -0.471 7.609 8.230 -0.093 0.095 0.433 67 A N -1.922 120.554 122.820 -0.574 0.000 1.940 67 A HA -0.428 3.223 4.320 -1.115 0.000 0.219 67 A C 1.754 179.029 177.584 -0.515 0.000 1.176 67 A CA 3.202 54.821 52.037 -0.696 0.000 0.631 67 A CB -0.424 18.214 19.000 -0.603 0.000 0.814 67 A HN 0.116 8.061 8.150 -0.341 0.000 0.446 68 M N -3.597 115.834 119.600 -0.281 0.000 2.229 68 M HA -0.412 4.013 4.480 -0.091 0.000 0.264 68 M C 1.640 177.860 176.300 -0.133 0.000 1.063 68 M CA 3.745 58.963 55.300 -0.137 0.000 1.114 68 M CB -0.066 32.514 32.600 -0.034 0.000 1.387 68 M HN 0.391 8.381 8.290 -0.228 0.163 0.420 69 S N -0.204 115.386 115.700 -0.184 0.000 2.423 69 S HA -0.232 4.197 4.470 -0.068 0.000 0.231 69 S C 1.544 176.132 174.600 -0.021 0.000 1.014 69 S CA 2.486 60.616 58.200 -0.118 0.000 0.965 69 S CB 0.025 63.125 63.200 -0.168 0.000 0.785 69 S HN 0.407 8.456 8.310 -0.229 0.124 0.495 70 H N 0.274 119.137 119.070 -0.344 0.000 2.355 70 H HA -0.001 4.347 4.556 -0.347 0.000 0.312 70 H C 1.512 176.775 175.328 -0.109 0.000 1.051 70 H CA 2.017 57.835 56.048 -0.383 0.000 1.389 70 H CB 0.772 29.974 29.762 -0.935 0.000 1.455 70 H HN 0.106 8.129 8.280 -0.428 0.000 0.575 71 L N 0.106 121.352 121.223 0.039 0.000 2.010 71 L HA -0.364 4.094 4.340 0.198 0.000 0.219 71 L C 0.870 177.796 176.870 0.093 0.000 1.077 71 L CA 2.510 57.402 54.840 0.086 0.000 0.773 71 L CB -1.120 40.912 42.059 -0.045 0.000 0.892 71 L HN 0.104 8.240 8.230 -0.157 0.000 0.436 72 N N -1.456 117.261 118.700 0.028 0.000 2.309 72 N HA -0.359 4.407 4.740 0.043 0.000 0.293 72 N C 0.254 175.792 175.510 0.047 0.000 1.327 72 N CA 1.597 54.667 53.050 0.033 0.000 1.054 72 N CB -1.184 37.308 38.487 0.008 0.000 1.474 72 N HN -0.218 8.131 8.380 -0.022 0.018 0.486 73 G N 2.328 111.171 108.800 0.071 0.000 2.326 73 G HA2 -0.346 3.662 3.960 0.079 0.000 0.286 73 G HA3 -0.346 3.645 3.960 0.052 0.000 0.286 73 G C -0.413 174.561 174.900 0.124 0.000 1.096 73 G CA 0.566 45.714 45.100 0.080 0.000 1.003 73 G HN 0.561 8.769 8.290 0.089 0.135 0.503 74 H N 0.952 120.036 119.070 0.024 0.000 2.592 74 H HA 0.000 4.579 4.556 0.037 0.000 0.265 74 H C -0.558 174.802 175.328 0.052 0.000 0.955 74 H CA -0.061 56.010 56.048 0.039 0.000 1.175 74 H CB 0.919 30.717 29.762 0.060 0.000 1.433 74 H HN -0.215 8.181 8.280 0.193 0.000 0.537 75 K N -1.622 118.859 120.400 0.136 0.000 3.834 75 K HA -0.355 4.162 4.320 0.076 -0.152 0.276 75 K C -0.029 176.598 176.600 0.046 0.000 0.850 75 K CA -0.097 56.241 56.287 0.085 0.000 0.704 75 K CB -2.970 29.582 32.500 0.086 0.000 1.644 75 K HN -0.010 8.265 8.250 0.133 0.055 0.440 76 L N -2.398 118.794 121.223 -0.053 0.000 2.034 76 L HA -0.360 3.834 4.340 -0.243 0.000 0.217 76 L C 0.115 176.885 176.870 -0.166 0.000 1.077 76 L CA 2.857 57.586 54.840 -0.185 0.000 0.769 76 L CB -0.186 41.684 42.059 -0.316 0.000 0.890 76 L HN 0.217 8.420 8.230 -0.045 0.000 0.435 77 H N -6.707 112.375 119.070 0.020 0.000 2.545 77 H HA 0.073 4.643 4.556 0.023 0.000 0.251 77 H C -1.370 173.976 175.328 0.030 0.000 0.934 77 H CA 0.094 56.157 56.048 0.026 0.000 1.116 77 H CB 2.513 32.292 29.762 0.029 0.000 1.439 77 H HN -0.021 8.141 8.280 0.034 0.137 0.445 78 G N -1.062 107.836 108.800 0.165 0.000 2.445 78 G HA2 -0.147 3.865 3.960 0.086 0.000 0.233 78 G HA3 -0.147 3.867 3.960 0.089 0.000 0.233 78 G C -1.948 173.006 174.900 0.091 0.000 1.308 78 G CA -0.531 44.631 45.100 0.104 0.000 1.179 78 G HN -0.343 8.034 8.290 0.145 0.000 0.637 79 K N 0.259 120.713 120.400 0.091 0.000 2.513 79 K HA 0.441 4.798 4.320 0.062 0.000 0.251 79 K C -2.248 174.395 176.600 0.071 0.000 0.939 79 K CA -3.149 53.182 56.287 0.074 0.000 0.793 79 K CB 1.492 34.036 32.500 0.073 0.000 1.241 79 K HN -0.441 7.869 8.250 0.101 0.000 0.431 80 P HA -0.064 4.391 4.420 0.059 0.000 0.221 80 P C -1.197 176.139 177.300 0.059 0.000 1.287 80 P CA -0.112 63.022 63.100 0.055 0.000 1.317 80 P CB -1.897 29.829 31.700 0.044 0.000 1.721 81 I N -3.321 117.291 120.570 0.070 0.000 3.087 81 I HA -0.367 3.854 4.170 0.084 0.000 0.318 81 I C -0.012 176.143 176.117 0.063 0.000 1.209 81 I CA 0.800 62.145 61.300 0.075 0.000 1.460 81 I CB -0.623 37.426 38.000 0.083 0.000 1.306 81 I HN -0.163 8.031 8.210 0.076 0.062 0.560 82 R N 3.896 124.437 120.500 0.069 0.000 2.701 82 R HA 0.261 4.632 4.340 0.051 0.000 0.281 82 R C -1.050 175.295 176.300 0.074 0.000 1.367 82 R CA -2.544 53.592 56.100 0.060 0.000 1.510 82 R CB -0.138 30.191 30.300 0.049 0.000 1.306 82 R HN -0.182 8.138 8.270 0.083 0.000 0.682 83 I N 2.360 122.984 120.570 0.090 0.000 2.648 83 I HA -0.227 4.155 4.170 0.135 -0.132 0.284 83 I C -0.034 176.139 176.117 0.093 0.000 1.153 83 I CA 0.554 61.931 61.300 0.129 0.000 1.426 83 I CB -0.098 37.992 38.000 0.151 0.000 1.381 83 I HN -0.105 8.150 8.210 0.076 0.000 0.571 84 T N 1.775 116.386 114.554 0.095 0.000 2.550 84 T HA 0.227 4.610 4.350 0.056 0.000 0.256 84 T C -1.807 172.941 174.700 0.079 0.000 0.866 84 T CA -3.202 58.939 62.100 0.068 0.000 1.163 84 T CB 1.931 70.829 68.868 0.050 0.000 1.460 84 T HN -0.384 7.819 8.240 0.108 0.103 0.498 85 L N -0.819 120.439 121.223 0.058 0.000 2.335 85 L HA 0.168 4.550 4.340 0.070 0.000 0.268 85 L C -0.239 176.656 176.870 0.041 0.000 1.016 85 L CA 0.131 55.003 54.840 0.053 0.000 0.805 85 L CB 2.904 44.985 42.059 0.037 0.000 1.311 85 L HN 0.127 8.387 8.230 0.050 0.000 0.456 86 S N -0.745 114.978 115.700 0.039 0.000 2.917 86 S HA 0.066 4.540 4.470 0.007 0.000 0.269 86 S C 0.734 175.341 174.600 0.013 0.000 1.072 86 S CA 0.231 58.447 58.200 0.027 0.000 0.967 86 S CB 1.716 64.955 63.200 0.065 0.000 0.906 86 S HN 0.469 8.805 8.310 0.043 0.000 0.463 87 K N -2.456 117.963 120.400 0.031 0.000 3.686 87 K HA -0.477 3.870 4.320 0.044 0.000 0.314 87 K C -0.494 176.148 176.600 0.071 0.000 0.792 87 K CA 1.801 58.107 56.287 0.033 0.000 1.352 87 K CB -2.689 29.820 32.500 0.015 0.000 1.444 87 K HN 0.017 8.290 8.250 0.038 0.000 0.456 88 H N 4.030 123.105 119.070 0.008 0.000 4.859 88 H HA -0.322 4.236 4.556 0.004 0.000 0.148 88 H C 0.255 175.586 175.328 0.004 0.000 0.529 88 H CA 0.234 56.285 56.048 0.005 0.000 1.290 88 H CB -1.808 27.956 29.762 0.003 0.000 1.465 88 H HN -0.132 8.093 8.280 0.058 0.090 0.916 89 Q N 1.668 121.579 119.800 0.185 0.000 2.632 89 Q HA -0.594 3.790 4.340 0.074 0.000 0.459 89 Q C -0.734 175.295 176.000 0.049 0.000 0.530 89 Q CA 3.290 59.153 55.803 0.100 0.000 1.014 89 Q CB -0.254 28.553 28.738 0.114 0.000 1.769 89 Q HN -0.074 8.209 8.270 0.118 0.058 1.079 90 N N -3.794 114.911 118.700 0.008 0.000 2.831 90 N HA 0.109 4.845 4.740 -0.008 0.000 0.276 90 N C -1.475 173.966 175.510 -0.115 0.000 1.416 90 N CA -0.556 52.478 53.050 -0.027 0.000 0.799 90 N CB 2.639 41.118 38.487 -0.014 0.000 1.554 90 N HN -0.089 8.286 8.380 -0.009 0.000 0.541 91 V N 0.756 120.607 119.914 -0.105 0.000 2.398 91 V HA 0.124 4.126 4.120 -0.196 0.000 0.286 91 V C -1.594 174.452 176.094 -0.080 0.000 1.026 91 V CA -1.977 60.245 62.300 -0.130 0.000 0.868 91 V CB 0.956 32.714 31.823 -0.107 0.000 0.982 91 V HN -0.117 8.305 8.190 -0.064 -0.270 0.443 92 Q N 7.296 127.042 119.800 -0.089 0.000 2.341 92 Q HA 0.154 4.461 4.340 -0.055 0.000 0.268 92 Q C -0.567 175.389 176.000 -0.074 0.000 1.013 92 Q CA -1.318 54.444 55.803 -0.068 0.000 0.798 92 Q CB 1.126 29.831 28.738 -0.055 0.000 1.253 92 Q HN 0.137 8.334 8.270 -0.120 0.000 0.457 93 L N 5.367 126.553 121.223 -0.062 0.000 2.862 93 L HA -0.187 4.115 4.340 -0.064 0.000 0.297 93 L C -0.122 176.712 176.870 -0.060 0.000 1.190 93 L CA 0.558 55.361 54.840 -0.061 0.000 0.902 93 L CB -1.506 40.521 42.059 -0.054 0.000 1.236 93 L HN 0.220 8.418 8.230 -0.054 0.000 0.485 94 P HA 0.148 4.534 4.420 -0.056 0.000 0.189 94 P C -0.774 176.493 177.300 -0.055 0.000 1.123 94 P CA -0.377 62.686 63.100 -0.061 0.000 0.859 94 P CB 1.176 32.836 31.700 -0.067 0.000 0.717 95 R N -1.045 119.415 120.500 -0.066 0.000 2.686 95 R HA 0.256 4.567 4.340 -0.049 0.000 0.283 95 R C 0.279 176.535 176.300 -0.074 0.000 0.978 95 R CA -1.040 55.022 56.100 -0.064 0.000 0.897 95 R CB 2.484 32.752 30.300 -0.053 0.000 1.192 95 R HN 0.031 8.254 8.270 -0.079 0.000 0.457 96 E N 4.865 125.030 120.200 -0.058 0.000 2.063 96 E HA -0.422 3.898 4.350 -0.050 0.000 0.221 96 E C 1.898 178.453 176.600 -0.075 0.000 1.052 96 E CA 3.208 59.576 56.400 -0.053 0.000 0.891 96 E CB -0.396 29.283 29.700 -0.034 0.000 0.792 96 E HN 0.602 8.934 8.360 -0.047 0.000 0.482 97 G N -3.641 105.113 108.800 -0.078 0.000 2.869 97 G HA2 -0.350 3.569 3.960 -0.070 0.000 0.240 97 G HA3 -0.350 3.558 3.960 -0.087 0.000 0.240 97 G C 1.175 175.944 174.900 -0.219 0.000 1.143 97 G CA 2.307 47.345 45.100 -0.103 0.000 0.749 97 G HN 0.303 8.518 8.290 -0.062 0.038 0.646 98 Q N -0.357 119.326 119.800 -0.195 0.000 2.062 98 Q HA -0.150 3.955 4.340 -0.392 0.000 0.196 98 Q C 2.347 178.192 176.000 -0.259 0.000 0.967 98 Q CA 2.089 57.739 55.803 -0.255 0.000 0.832 98 Q CB -0.002 28.625 28.738 -0.186 0.000 0.899 98 Q HN -0.264 7.777 8.270 -0.138 0.146 0.442 99 E N -0.068 120.031 120.200 -0.168 0.000 2.162 99 E HA -0.031 4.253 4.350 -0.110 0.000 0.193 99 E C 2.282 178.833 176.600 -0.082 0.000 0.953 99 E CA 0.974 57.303 56.400 -0.118 0.000 0.849 99 E CB 0.139 29.786 29.700 -0.088 0.000 0.810 99 E HN 0.373 8.568 8.360 -0.125 0.090 0.470 100 D N -1.546 118.814 120.400 -0.067 0.000 6.263 100 D HA -0.296 4.326 4.640 -0.031 0.000 0.195 100 D C 0.282 176.592 176.300 0.017 0.000 1.766 100 D CA 2.335 56.320 54.000 -0.024 0.000 0.978 100 D CB -0.281 40.509 40.800 -0.017 0.000 0.772 100 D HN -0.346 7.974 8.370 -0.083 0.000 0.667 101 Q N -3.426 116.390 119.800 0.027 0.000 2.172 101 Q HA 0.041 4.419 4.340 0.062 0.000 0.159 101 Q C -0.409 175.625 176.000 0.057 0.000 0.653 101 Q CA 0.514 56.367 55.803 0.083 0.000 0.896 101 Q CB 2.133 31.004 28.738 0.222 0.000 1.149 101 Q HN -0.094 8.106 8.270 0.001 0.071 0.333 102 G N -1.844 106.979 108.800 0.038 0.000 2.334 102 G HA2 -0.069 4.058 3.960 -0.022 0.000 0.222 102 G HA3 -0.069 3.909 3.960 0.030 0.000 0.222 102 G C -0.670 174.254 174.900 0.041 0.000 1.077 102 G CA -0.177 44.931 45.100 0.013 0.000 0.861 102 G HN -0.403 7.880 8.290 -0.011 0.000 0.508 103 L N -0.696 120.516 121.223 -0.018 0.000 1.971 103 L HA -0.141 4.223 4.340 0.039 0.000 0.215 103 L C -0.323 176.522 176.870 -0.041 0.000 1.072 103 L CA 2.879 57.673 54.840 -0.077 0.000 0.758 103 L CB 0.243 42.000 42.059 -0.502 0.000 0.889 103 L HN -0.158 8.018 8.230 -0.091 0.000 0.433 104 T N -0.511 113.998 114.554 -0.075 0.000 2.813 104 T HA -0.076 4.251 4.350 -0.039 0.000 0.297 104 T C -0.799 173.885 174.700 -0.026 0.000 1.036 104 T CA 1.659 63.730 62.100 -0.048 0.000 1.044 104 T CB 0.540 69.365 68.868 -0.071 0.000 0.993 104 T HN -0.629 7.537 8.240 -0.123 0.000 0.535 105 K N -1.405 118.983 120.400 -0.020 0.000 2.675 105 K HA 0.167 4.435 4.320 -0.088 0.000 0.280 105 K C -2.682 173.888 176.600 -0.049 0.000 0.993 105 K CA -0.052 56.200 56.287 -0.059 0.000 0.863 105 K CB 4.298 36.786 32.500 -0.019 0.000 1.438 105 K HN 0.396 8.652 8.250 0.010 0.000 0.389 106 D N 1.684 121.996 120.400 -0.146 0.000 2.438 106 D HA 0.204 4.831 4.640 -0.023 0.000 0.257 106 D C -1.294 174.902 176.300 -0.172 0.000 1.148 106 D CA -0.931 53.008 54.000 -0.102 0.000 0.902 106 D CB -0.026 40.724 40.800 -0.083 0.000 1.062 106 D HN 0.280 8.508 8.370 -0.235 0.000 0.518 107 Y N 3.000 123.267 120.300 -0.055 0.000 2.478 107 Y HA -0.012 4.486 4.550 -0.087 0.000 0.261 107 Y C 1.125 177.002 175.900 -0.038 0.000 1.127 107 Y CA 0.133 58.194 58.100 -0.064 0.000 1.288 107 Y CB 0.960 39.393 38.460 -0.044 0.000 1.084 107 Y HN -0.369 7.925 8.280 0.130 0.063 0.530 108 G N -0.123 108.735 108.800 0.096 0.000 2.686 108 G HA2 -0.569 3.476 3.960 0.059 0.000 0.359 108 G HA3 -0.569 3.412 3.960 0.034 0.000 0.359 108 G C -0.812 174.125 174.900 0.062 0.000 1.222 108 G CA 1.319 46.455 45.100 0.061 0.000 0.956 108 G HN -0.049 8.288 8.290 0.078 0.000 0.565 109 N N 3.304 122.027 118.700 0.038 0.000 3.271 109 N HA 0.023 4.726 4.740 -0.062 0.000 0.303 109 N C -0.843 174.684 175.510 0.028 0.000 1.415 109 N CA -1.533 51.524 53.050 0.012 0.000 1.159 109 N CB -0.382 38.137 38.487 0.054 0.000 1.432 109 N HN -0.081 8.323 8.380 0.040 0.000 0.521 110 S N 2.070 117.800 115.700 0.050 0.000 2.784 110 S HA -0.147 4.382 4.470 0.098 0.000 0.322 110 S C -0.034 174.625 174.600 0.097 0.000 1.234 110 S CA -0.161 58.096 58.200 0.096 0.000 1.064 110 S CB -0.341 62.979 63.200 0.200 0.000 0.787 110 S HN -0.517 7.775 8.310 0.070 0.059 0.506 111 P HA 0.085 4.755 4.420 0.416 0.000 0.241 111 P C -0.376 177.119 177.300 0.325 0.000 1.191 111 P CA 0.685 63.968 63.100 0.304 0.000 0.771 111 P CB 0.623 32.413 31.700 0.151 0.000 0.929 112 L N -3.982 117.394 121.223 0.254 0.000 1.989 112 L HA -0.448 4.012 4.340 0.201 0.000 0.211 112 L C 1.175 178.248 176.870 0.338 0.000 1.071 112 L CA 1.939 56.920 54.840 0.235 0.000 0.749 112 L CB -0.512 41.630 42.059 0.138 0.000 0.890 112 L HN -0.551 7.717 8.230 0.219 0.093 0.431 113 H N -6.881 112.314 119.070 0.208 0.000 1.452 113 H HA -0.504 4.220 4.556 0.279 0.000 0.090 113 H C 0.616 176.109 175.328 0.275 0.000 0.837 113 H CA 2.423 58.621 56.048 0.250 0.000 1.901 113 H CB -0.589 29.309 29.762 0.227 0.000 2.257 113 H HN -0.623 7.882 8.280 0.375 0.000 0.961 114 R N -4.641 116.080 120.500 0.368 0.000 2.148 114 R HA -0.176 4.306 4.340 0.235 0.000 0.372 114 R C -0.969 175.460 176.300 0.215 0.000 0.246 114 R CA 0.581 56.828 56.100 0.245 0.000 1.421 114 R CB -1.312 29.131 30.300 0.237 0.000 1.823 114 R HN -0.103 8.378 8.270 0.351 0.000 0.207 115 F N -1.384 118.693 119.950 0.212 0.000 2.044 115 F HA -0.231 4.392 4.527 0.160 0.000 0.286 115 F C 0.247 176.111 175.800 0.107 0.000 1.173 115 F CA 1.284 59.393 58.000 0.183 0.000 1.141 115 F CB 0.750 39.884 39.000 0.225 0.000 1.012 115 F HN -0.222 8.311 8.300 0.571 0.110 0.482 116 K N -4.300 116.237 120.400 0.227 0.000 3.020 116 K HA -0.356 3.821 4.320 -0.238 0.000 0.266 116 K C -1.177 175.463 176.600 0.066 0.000 1.067 116 K CA 0.415 56.683 56.287 -0.031 0.000 0.780 116 K CB -1.862 30.581 32.500 -0.096 0.000 1.220 116 K HN 0.012 8.457 8.250 0.324 0.000 0.483 117 K N -1.976 118.527 120.400 0.173 0.000 2.430 117 K HA 0.057 4.454 4.320 0.128 0.000 0.280 117 K C -0.531 176.127 176.600 0.097 0.000 1.063 117 K CA -0.959 55.416 56.287 0.147 0.000 1.071 117 K CB -0.526 32.089 32.500 0.192 0.000 0.899 117 K HN -0.253 8.040 8.250 0.275 0.121 0.473 118 P HA -0.059 4.388 4.420 0.045 0.000 0.228 118 P C -0.270 177.060 177.300 0.050 0.000 1.151 118 P CA 0.243 63.374 63.100 0.051 0.000 0.770 118 P CB 0.406 32.130 31.700 0.039 0.000 0.786 119 G N -2.290 106.541 108.800 0.052 0.000 3.246 119 G HA2 -0.009 3.971 3.960 0.034 0.000 0.234 119 G HA3 -0.009 3.968 3.960 0.029 0.000 0.234 119 G C -1.533 173.389 174.900 0.036 0.000 3.750 119 G CA -0.151 44.972 45.100 0.037 0.000 0.588 119 G HN -0.042 8.255 8.290 0.060 0.029 0.345 120 S N -0.435 115.298 115.700 0.056 0.000 2.677 120 S HA 0.359 4.854 4.470 0.042 0.000 0.304 120 S C -1.481 173.162 174.600 0.072 0.000 1.108 120 S CA -0.734 57.508 58.200 0.070 0.000 0.944 120 S CB 1.456 64.713 63.200 0.095 0.000 1.127 120 S HN -0.131 8.215 8.310 0.061 0.000 0.511 121 K N 0.283 120.730 120.400 0.078 0.000 2.834 121 K HA 0.160 4.610 4.320 0.216 0.000 0.259 121 K C -1.871 174.805 176.600 0.126 0.000 1.158 121 K CA -0.582 55.754 56.287 0.081 0.000 1.068 121 K CB 1.772 34.187 32.500 -0.142 0.000 1.324 121 K HN 0.141 8.435 8.250 0.072 0.000 0.552 122 N N 1.377 120.288 118.700 0.352 0.000 2.428 122 N HA -0.026 4.839 4.740 0.208 0.000 0.181 122 N C -1.306 174.474 175.510 0.449 0.000 1.028 122 N CA 0.978 54.224 53.050 0.327 0.000 0.877 122 N CB 0.444 39.072 38.487 0.235 0.000 1.064 122 N HN 0.085 8.778 8.380 0.522 0.000 0.434 123 F N -6.533 113.607 119.950 0.316 0.000 2.884 123 F HA -0.301 4.408 4.527 0.303 0.000 0.294 123 F C -0.317 175.551 175.800 0.114 0.000 0.723 123 F CA -0.316 57.835 58.000 0.251 0.000 1.294 123 F CB -2.679 36.437 39.000 0.194 0.000 1.551 123 F HN -0.014 8.806 8.300 0.867 0.000 0.363 124 Q N -1.935 117.948 119.800 0.138 0.000 2.123 124 Q HA -0.287 4.120 4.340 0.112 0.000 0.199 124 Q C 1.173 177.212 176.000 0.065 0.000 0.966 124 Q CA 2.021 57.878 55.803 0.089 0.000 0.845 124 Q CB 0.049 28.825 28.738 0.063 0.000 0.907 124 Q HN 0.274 8.632 8.270 0.147 0.000 0.439 125 N N -0.840 117.848 118.700 -0.020 0.000 2.051 125 N HA -0.313 4.447 4.740 0.034 0.000 0.192 125 N C 1.816 177.395 175.510 0.116 0.000 1.049 125 N CA 2.396 55.444 53.050 -0.004 0.000 0.845 125 N CB -0.255 38.149 38.487 -0.138 0.000 1.031 125 N HN -0.190 8.112 8.380 -0.081 0.030 0.425 126 I N -3.393 117.214 120.570 0.061 0.000 2.705 126 I HA -0.479 3.737 4.170 0.077 0.000 0.229 126 I C 0.118 176.376 176.117 0.234 0.000 0.887 126 I CA 1.841 63.212 61.300 0.119 0.000 1.226 126 I CB -0.055 37.974 38.000 0.049 0.000 0.945 126 I HN -0.309 7.891 8.210 -0.018 0.000 0.391 127 F N -3.949 116.001 119.950 -0.000 0.000 1.999 127 F HA -0.243 4.225 4.527 -0.099 0.000 0.252 127 F C -2.052 173.607 175.800 -0.235 0.000 1.041 127 F CA -0.743 57.204 58.000 -0.088 0.000 0.899 127 F CB 0.243 39.217 39.000 -0.044 0.000 1.304 127 F HN -0.186 8.236 8.300 0.300 0.058 0.747 128 P HA 0.021 3.816 4.420 -1.043 0.000 0.264 128 P C -1.917 175.189 177.300 -0.323 0.000 1.183 128 P CA -1.279 61.439 63.100 -0.636 0.000 0.763 128 P CB 0.077 31.311 31.700 -0.778 0.000 0.807 129 P HA -0.230 4.024 4.420 -0.277 0.000 0.110 129 P C -0.795 176.514 177.300 0.015 0.000 0.739 129 P CA 1.091 63.996 63.100 -0.324 0.000 1.065 129 P CB -0.521 30.820 31.700 -0.598 0.000 1.586 130 S N 2.367 118.200 115.700 0.222 0.000 2.595 130 S HA 0.130 4.632 4.470 0.053 0.000 0.281 130 S C 0.355 175.011 174.600 0.094 0.000 1.117 130 S CA -0.978 57.284 58.200 0.104 0.000 0.873 130 S CB 3.051 66.267 63.200 0.027 0.000 1.108 130 S HN -0.103 8.516 8.310 0.514 0.000 0.477 131 A N 1.094 123.921 122.820 0.012 0.000 2.076 131 A HA -0.202 4.174 4.320 -0.036 -0.077 0.220 131 A C -0.548 176.965 177.584 -0.119 0.000 1.160 131 A CA 1.608 53.620 52.037 -0.042 0.000 0.653 131 A CB 0.234 19.212 19.000 -0.037 0.000 0.801 131 A HN 0.417 8.579 8.150 0.021 0.000 0.455 132 T N 0.537 115.010 114.554 -0.136 0.000 2.875 132 T HA 0.103 4.445 4.350 -0.204 -0.115 0.307 132 T C -1.169 173.407 174.700 -0.206 0.000 1.013 132 T CA 0.155 62.142 62.100 -0.187 0.000 0.970 132 T CB -1.328 67.428 68.868 -0.186 0.000 0.986 132 T HN -0.647 7.439 8.240 -0.092 0.099 0.536 133 L N 2.831 123.885 121.223 -0.281 0.000 2.276 133 L HA 0.630 4.953 4.340 -0.244 -0.129 0.286 133 L C -1.045 175.716 176.870 -0.181 0.000 1.061 133 L CA -1.728 52.933 54.840 -0.298 0.000 0.807 133 L CB 0.477 42.311 42.059 -0.376 0.000 1.177 133 L HN -0.080 7.950 8.230 -0.334 0.000 0.429 134 H N 5.374 124.381 119.070 -0.104 0.000 2.878 134 H HA -0.047 4.720 4.556 0.352 0.000 0.290 134 H C -1.761 173.618 175.328 0.085 0.000 1.065 134 H CA -0.804 55.330 56.048 0.144 0.000 1.477 134 H CB 0.586 30.451 29.762 0.172 0.000 1.484 134 H HN 0.054 8.276 8.280 -0.096 0.000 0.504 135 L N 6.615 128.002 121.223 0.273 0.000 2.334 135 L HA 0.669 5.231 4.340 0.162 -0.125 0.276 135 L C -0.993 175.855 176.870 -0.037 0.000 1.014 135 L CA -1.671 53.240 54.840 0.118 0.000 0.815 135 L CB 1.434 43.508 42.059 0.024 0.000 1.268 135 L HN 0.386 8.836 8.230 0.366 0.000 0.428 136 S N 1.233 116.968 115.700 0.058 0.000 2.625 136 S HA 0.111 4.512 4.470 -0.114 0.000 0.271 136 S C -2.226 172.432 174.600 0.096 0.000 1.161 136 S CA -0.950 57.252 58.200 0.003 0.000 0.820 136 S CB 2.734 65.931 63.200 -0.004 0.000 1.137 136 S HN 0.581 8.981 8.310 0.151 0.000 0.470 137 N N 0.421 119.166 118.700 0.075 0.000 2.402 137 N HA -0.285 4.521 4.740 0.110 0.000 0.292 137 N C -2.417 173.176 175.510 0.138 0.000 1.488 137 N CA 0.826 53.948 53.050 0.120 0.000 0.667 137 N CB -0.435 38.150 38.487 0.164 0.000 0.954 137 N HN 0.245 8.642 8.380 0.028 0.000 0.478 138 I N -1.193 119.455 120.570 0.130 0.000 2.500 138 I HA 0.466 4.705 4.170 0.116 0.000 0.286 138 I C -2.372 173.819 176.117 0.124 0.000 1.063 138 I CA -3.449 57.926 61.300 0.125 0.000 1.062 138 I CB 1.561 39.644 38.000 0.138 0.000 1.223 138 I HN -0.190 8.094 8.210 0.123 0.000 0.435 139 P HA 0.276 4.778 4.420 0.136 0.000 0.279 139 P C -1.317 176.018 177.300 0.059 0.000 1.282 139 P CA -1.520 61.636 63.100 0.093 0.000 0.788 139 P CB -0.721 30.992 31.700 0.023 0.000 1.139 140 P HA 0.118 4.555 4.420 0.029 0.000 0.253 140 P C -1.223 176.087 177.300 0.016 0.000 1.508 140 P CA 0.531 63.646 63.100 0.026 0.000 0.883 140 P CB -1.086 30.629 31.700 0.025 0.000 1.519 141 S N -1.891 113.818 115.700 0.015 0.000 2.694 141 S HA -0.026 4.446 4.470 0.002 0.000 0.225 141 S C 0.573 175.179 174.600 0.011 0.000 1.012 141 S CA 0.329 58.532 58.200 0.005 0.000 0.896 141 S CB 0.693 63.889 63.200 -0.008 0.000 0.838 141 S HN -0.220 8.036 8.310 0.022 0.067 0.604 142 V N 2.114 122.041 119.914 0.022 0.000 3.743 142 V HA -0.003 4.124 4.120 0.011 0.000 0.274 142 V C -0.611 175.506 176.094 0.039 0.000 1.001 142 V CA -0.455 61.861 62.300 0.026 0.000 0.890 142 V CB 0.793 32.636 31.823 0.033 0.000 1.225 142 V HN 0.029 8.236 8.190 0.028 0.000 0.411 143 S N -2.566 113.159 115.700 0.042 0.000 2.757 143 S HA 0.206 4.766 4.470 0.150 0.000 0.285 143 S C -0.028 174.604 174.600 0.054 0.000 1.196 143 S CA -0.926 57.322 58.200 0.080 0.000 0.856 143 S CB 1.617 64.844 63.200 0.045 0.000 1.212 143 S HN -0.338 7.986 8.310 0.023 0.000 0.516 144 E N 0.408 120.662 120.200 0.090 0.000 2.048 144 E HA -0.480 3.396 4.350 -0.791 0.000 0.202 144 E C 1.617 177.917 176.600 -0.500 0.000 1.021 144 E CA 3.194 59.292 56.400 -0.503 0.000 0.825 144 E CB -0.364 29.195 29.700 -0.235 0.000 0.756 144 E HN 0.443 8.992 8.360 0.315 0.000 0.454 145 E N 0.042 120.096 120.200 -0.242 0.000 2.082 145 E HA -0.452 3.783 4.350 -0.190 0.000 0.215 145 E C 1.738 178.256 176.600 -0.136 0.000 1.048 145 E CA 3.482 59.782 56.400 -0.166 0.000 0.869 145 E CB -0.319 29.332 29.700 -0.082 0.000 0.773 145 E HN -0.613 7.628 8.360 -0.137 0.036 0.466 146 D N -1.907 118.442 120.400 -0.086 0.000 2.219 146 D HA -0.192 4.425 4.640 -0.039 0.000 0.205 146 D C 1.813 178.097 176.300 -0.027 0.000 0.970 146 D CA 2.763 56.736 54.000 -0.045 0.000 0.851 146 D CB 0.099 40.887 40.800 -0.019 0.000 0.943 146 D HN 0.075 8.403 8.370 -0.069 0.000 0.488 147 L N -0.000 121.200 121.223 -0.039 0.000 2.072 147 L HA -0.169 4.242 4.340 0.119 0.000 0.205 147 L C 1.498 178.487 176.870 0.199 0.000 1.079 147 L CA 2.322 57.214 54.840 0.086 0.000 0.752 147 L CB -0.306 41.791 42.059 0.064 0.000 0.906 147 L HN -0.554 7.416 8.230 -0.129 0.182 0.436 148 K N -0.538 119.870 120.400 0.013 0.000 2.025 148 K HA -0.404 4.055 4.320 0.232 0.000 0.207 148 K C 2.405 179.039 176.600 0.057 0.000 1.049 148 K CA 3.333 59.652 56.287 0.053 0.000 0.933 148 K CB -0.113 32.302 32.500 -0.143 0.000 0.714 148 K HN -0.539 7.568 8.250 -0.237 0.000 0.438 149 V N -0.591 119.314 119.914 -0.016 0.000 2.317 149 V HA -0.476 3.639 4.120 -0.009 0.000 0.251 149 V C 1.769 177.856 176.094 -0.012 0.000 1.065 149 V CA 3.902 66.192 62.300 -0.016 0.000 1.049 149 V CB -0.816 30.986 31.823 -0.035 0.000 0.651 149 V HN 0.429 8.463 8.190 -0.066 0.116 0.450 150 L N -1.758 119.459 121.223 -0.010 0.000 2.005 150 L HA -0.346 3.889 4.340 -0.175 0.000 0.207 150 L C 2.211 178.961 176.870 -0.201 0.000 1.072 150 L CA 2.912 57.673 54.840 -0.130 0.000 0.744 150 L CB -0.561 41.346 42.059 -0.254 0.000 0.895 150 L HN -0.518 7.621 8.230 0.024 0.106 0.433 151 F N -5.450 114.464 119.950 -0.059 0.000 2.605 151 F HA -0.315 4.175 4.527 -0.060 0.000 0.296 151 F C 0.788 176.566 175.800 -0.037 0.000 1.146 151 F CA 2.496 60.469 58.000 -0.046 0.000 1.478 151 F CB -0.683 38.308 39.000 -0.014 0.000 1.107 151 F HN -0.479 8.023 8.300 0.337 0.000 0.600 152 S N -1.803 113.950 115.700 0.089 0.000 2.506 152 S HA 0.096 4.605 4.470 0.065 0.000 0.219 152 S C 1.349 175.949 174.600 -0.000 0.000 1.031 152 S CA 0.997 59.224 58.200 0.045 0.000 0.911 152 S CB 0.523 63.744 63.200 0.036 0.000 0.812 152 S HN -0.004 8.197 8.310 0.048 0.138 0.497 153 S N 2.389 118.068 115.700 -0.036 0.000 2.575 153 S HA -0.007 4.440 4.470 -0.038 0.000 0.215 153 S C 0.672 175.227 174.600 -0.076 0.000 0.966 153 S CA 1.879 60.046 58.200 -0.056 0.000 0.911 153 S CB 0.066 63.217 63.200 -0.081 0.000 0.780 153 S HN 0.230 8.515 8.310 -0.041 0.000 0.514 154 N N -0.372 118.270 118.700 -0.096 0.000 2.467 154 N HA -0.032 4.650 4.740 -0.098 0.000 0.184 154 N C 0.663 176.146 175.510 -0.045 0.000 1.106 154 N CA -0.219 52.772 53.050 -0.099 0.000 0.892 154 N CB -0.098 38.283 38.487 -0.175 0.000 0.969 154 N HN -0.571 7.699 8.380 -0.092 0.055 0.454 155 G N -1.271 107.514 108.800 -0.025 0.000 2.421 155 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.188 155 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.188 155 G C 0.079 174.985 174.900 0.009 0.000 1.001 155 G CA -0.351 44.745 45.100 -0.006 0.000 0.693 155 G HN -0.681 7.524 8.290 -0.026 0.069 0.479 156 G N 0.455 109.269 108.800 0.023 0.000 2.630 156 G HA2 -0.000 3.991 3.960 0.052 0.000 0.236 156 G HA3 -0.000 4.173 3.960 0.082 -0.164 0.236 156 G C 0.322 175.249 174.900 0.045 0.000 1.248 156 G CA -0.297 44.833 45.100 0.051 0.000 0.844 156 G HN -0.360 8.191 8.290 0.016 -0.251 0.588 157 V N -1.153 118.785 119.914 0.040 0.000 3.590 157 V HA -0.053 4.081 4.120 0.023 0.000 0.265 157 V C 0.021 176.127 176.094 0.021 0.000 1.239 157 V CA -0.549 61.765 62.300 0.023 0.000 1.117 157 V CB -0.272 31.560 31.823 0.015 0.000 0.818 157 V HN 0.133 8.352 8.190 0.048 0.000 0.451 158 V N 1.880 121.812 119.914 0.030 0.000 5.657 158 V HA -0.438 3.858 4.120 -0.014 -0.184 0.118 158 V C 0.038 176.138 176.094 0.009 0.000 0.740 158 V CA 0.795 63.106 62.300 0.020 0.000 0.505 158 V CB -1.250 30.610 31.823 0.063 0.000 0.158 158 V HN -0.347 7.875 8.190 0.052 0.000 0.321 159 K N 3.862 124.252 120.400 -0.016 0.000 2.077 159 K HA -0.294 4.019 4.320 -0.012 0.000 0.213 159 K C 0.015 176.602 176.600 -0.021 0.000 1.051 159 K CA 1.677 57.950 56.287 -0.023 0.000 0.929 159 K CB 0.264 32.741 32.500 -0.039 0.000 0.715 159 K HN 0.319 8.462 8.250 -0.030 0.088 0.451 160 G N -5.473 103.307 108.800 -0.033 0.000 2.660 160 G HA2 0.157 4.119 3.960 0.003 0.000 0.290 160 G HA3 0.157 4.074 3.960 -0.071 0.000 0.290 160 G C -2.735 172.152 174.900 -0.023 0.000 1.432 160 G CA -0.338 44.743 45.100 -0.031 0.000 0.807 160 G HN -0.539 7.717 8.290 -0.057 0.000 0.485 161 F N 0.065 119.966 119.950 -0.081 0.000 2.623 161 F HA 0.360 4.790 4.527 -0.162 0.000 0.323 161 F C -2.663 173.081 175.800 -0.093 0.000 1.158 161 F CA -0.142 57.788 58.000 -0.118 0.000 1.030 161 F CB 3.353 42.288 39.000 -0.108 0.000 1.280 161 F HN 0.062 8.359 8.300 -0.004 0.000 0.474 162 K N 4.220 123.982 120.400 -1.062 0.000 2.439 162 K HA 0.318 4.571 4.320 -0.113 0.000 0.260 162 K C -1.882 174.338 176.600 -0.633 0.000 1.032 162 K CA -1.949 54.021 56.287 -0.528 0.000 0.882 162 K CB 4.480 36.844 32.500 -0.227 0.000 1.420 162 K HN 0.791 8.142 8.250 -1.499 0.000 0.455 163 F N -1.618 118.314 119.950 -0.030 0.000 2.426 163 F HA 0.157 4.709 4.527 0.041 0.000 0.348 163 F C -0.420 175.466 175.800 0.143 0.000 1.124 163 F CA -1.267 56.769 58.000 0.059 0.000 1.008 163 F CB 0.269 39.319 39.000 0.083 0.000 1.139 163 F HN 0.155 8.542 8.300 0.146 0.000 0.452 164 F N 2.952 122.926 119.950 0.040 0.000 2.650 164 F HA -0.315 4.166 4.527 -0.076 0.000 0.255 164 F C 0.086 175.879 175.800 -0.012 0.000 1.090 164 F CA 0.763 58.750 58.000 -0.021 0.000 1.228 164 F CB 0.450 39.421 39.000 -0.048 0.000 1.190 164 F HN -0.321 8.216 8.300 0.395 0.000 0.572 165 Q N 1.178 121.074 119.800 0.159 0.000 2.315 165 Q HA -0.132 4.219 4.340 0.018 0.000 0.289 165 Q C 0.538 176.599 176.000 0.102 0.000 1.044 165 Q CA 0.417 56.258 55.803 0.064 0.000 0.920 165 Q CB 0.569 29.303 28.738 -0.007 0.000 1.214 165 Q HN 0.076 8.457 8.270 0.186 0.000 0.392 166 K N 4.287 124.723 120.400 0.060 0.000 2.632 166 K HA -0.507 3.840 4.320 0.044 0.000 0.186 166 K C 0.197 176.834 176.600 0.062 0.000 0.727 166 K CA 2.658 58.975 56.287 0.051 0.000 0.898 166 K CB -1.509 31.010 32.500 0.032 0.000 0.632 166 K HN 0.560 8.833 8.250 0.038 0.000 0.840 167 D N -1.035 119.398 120.400 0.055 0.000 3.818 167 D HA -0.335 4.327 4.640 0.036 0.000 0.506 167 D C 0.447 176.778 176.300 0.051 0.000 1.227 167 D CA 2.009 56.039 54.000 0.050 0.000 1.422 167 D CB -0.111 40.726 40.800 0.061 0.000 0.651 167 D HN 0.070 8.470 8.370 0.051 0.000 0.626 168 R N -2.120 118.427 120.500 0.079 0.000 2.534 168 R HA -0.315 4.131 4.340 0.175 0.000 0.330 168 R C -1.751 174.579 176.300 0.049 0.000 1.000 168 R CA 0.721 56.873 56.100 0.087 0.000 0.702 168 R CB -1.861 28.465 30.300 0.044 0.000 2.044 168 R HN 0.104 8.441 8.270 0.111 0.000 0.463 169 K N -0.270 120.172 120.400 0.070 0.000 2.537 169 K HA 0.105 4.463 4.320 0.063 0.000 0.216 169 K C -0.442 176.219 176.600 0.102 0.000 1.349 169 K CA -0.540 55.787 56.287 0.066 0.000 0.841 169 K CB 0.153 32.671 32.500 0.030 0.000 1.659 169 K HN 0.204 8.498 8.250 0.073 0.000 0.435 170 M N -0.637 118.910 119.600 -0.088 0.000 2.185 170 M HA -0.246 4.083 4.480 -0.252 0.000 0.308 170 M C -0.534 175.565 176.300 -0.334 0.000 0.967 170 M CA 0.567 55.614 55.300 -0.421 0.000 1.027 170 M CB -0.059 31.961 32.600 -0.966 0.000 1.463 170 M HN -0.410 7.820 8.290 -0.100 0.000 0.431 171 A N -2.692 119.775 122.820 -0.589 0.000 2.572 171 A HA 0.487 4.545 4.320 -0.602 -0.099 0.295 171 A C -2.982 174.402 177.584 -0.335 0.000 1.072 171 A CA -1.229 50.508 52.037 -0.499 0.000 0.691 171 A CB 3.748 22.485 19.000 -0.438 0.000 1.291 171 A HN -0.117 7.387 8.150 -1.076 0.000 0.404 172 L N 0.793 121.787 121.223 -0.381 0.000 2.388 172 L HA 0.519 4.856 4.340 -0.005 0.000 0.264 172 L C -2.505 173.970 176.870 -0.659 0.000 0.998 172 L CA -0.589 54.109 54.840 -0.236 0.000 0.817 172 L CB 4.713 46.727 42.059 -0.076 0.000 1.338 172 L HN 0.313 7.962 8.230 -0.721 0.149 0.414 173 I N 0.904 121.154 120.570 -0.533 0.000 2.934 173 I HA 0.353 4.145 4.170 -0.629 0.000 0.306 173 I C -2.883 172.999 176.117 -0.392 0.000 1.110 173 I CA -2.023 58.942 61.300 -0.558 0.000 1.019 173 I CB 4.507 42.156 38.000 -0.585 0.000 1.227 173 I HN 0.880 8.828 8.210 -0.437 0.000 0.434 174 Q N 5.036 124.667 119.800 -0.282 0.000 2.290 174 Q HA 0.383 4.704 4.340 -0.241 -0.126 0.269 174 Q C -0.788 175.123 176.000 -0.148 0.000 1.016 174 Q CA -1.257 54.418 55.803 -0.213 0.000 0.754 174 Q CB 3.558 32.202 28.738 -0.156 0.000 1.247 174 Q HN -0.194 7.919 8.270 -0.262 0.000 0.451 175 M N 6.378 125.894 119.600 -0.141 0.000 1.796 175 M HA -0.242 4.321 4.480 -0.033 -0.104 0.161 175 M C 0.269 176.541 176.300 -0.047 0.000 1.234 175 M CA 0.880 56.142 55.300 -0.062 0.000 0.734 175 M CB 0.407 32.970 32.600 -0.061 0.000 1.055 175 M HN -0.070 8.099 8.290 -0.202 0.000 0.301 176 G N -4.151 104.637 108.800 -0.020 0.000 2.545 176 G HA2 -0.021 3.929 3.960 -0.016 0.000 0.212 176 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.212 176 G C -0.916 173.982 174.900 -0.005 0.000 1.144 176 G CA 0.198 45.292 45.100 -0.011 0.000 0.813 176 G HN 0.147 8.431 8.290 -0.011 0.000 0.531 177 S N -2.224 113.477 115.700 0.003 0.000 2.569 177 S HA 0.348 4.833 4.470 0.024 0.000 0.280 177 S C 0.462 175.079 174.600 0.029 0.000 1.111 177 S CA -2.505 55.707 58.200 0.020 0.000 0.887 177 S CB 2.104 65.320 63.200 0.026 0.000 1.095 177 S HN -0.967 7.343 8.310 -0.001 0.000 0.476 178 V N 3.516 123.475 119.914 0.074 0.000 2.295 178 V HA -0.173 3.993 4.120 0.076 0.000 0.246 178 V C 1.091 177.233 176.094 0.080 0.000 1.049 178 V CA 3.087 65.457 62.300 0.116 0.000 1.024 178 V CB 0.076 32.100 31.823 0.335 0.000 0.648 178 V HN 0.552 8.789 8.190 0.079 0.000 0.447 179 E N -1.392 118.859 120.200 0.085 0.000 2.277 179 E HA -0.475 3.902 4.350 0.045 0.000 0.216 179 E C 2.250 178.865 176.600 0.025 0.000 1.068 179 E CA 2.901 59.332 56.400 0.052 0.000 0.866 179 E CB -0.769 28.962 29.700 0.053 0.000 0.749 179 E HN -0.032 8.379 8.360 0.084 0.000 0.465 180 E N -0.230 119.983 120.200 0.022 0.000 2.034 180 E HA -0.205 4.155 4.350 0.017 0.000 0.192 180 E C 1.392 177.992 176.600 -0.001 0.000 0.963 180 E CA 1.902 58.312 56.400 0.017 0.000 0.831 180 E CB -0.248 29.466 29.700 0.025 0.000 0.801 180 E HN -0.813 7.353 8.360 0.027 0.210 0.463 181 A N 0.084 122.888 122.820 -0.026 0.000 1.958 181 A HA -0.327 3.968 4.320 -0.042 0.000 0.221 181 A C 1.854 179.315 177.584 -0.205 0.000 1.178 181 A CA 3.316 55.292 52.037 -0.100 0.000 0.642 181 A CB -0.820 18.088 19.000 -0.152 0.000 0.816 181 A HN 0.492 8.532 8.150 -0.014 0.102 0.453 182 V N -0.770 119.027 119.914 -0.196 0.000 2.223 182 V HA -0.448 3.450 4.120 -0.370 0.000 0.244 182 V C 1.398 177.407 176.094 -0.141 0.000 1.045 182 V CA 4.371 66.532 62.300 -0.231 0.000 1.000 182 V CB -0.459 31.299 31.823 -0.109 0.000 0.635 182 V HN 0.058 8.081 8.190 -0.120 0.095 0.445 183 Q N -0.200 119.558 119.800 -0.070 0.000 2.133 183 Q HA -0.359 3.954 4.340 -0.044 0.000 0.208 183 Q C 2.359 178.341 176.000 -0.031 0.000 0.991 183 Q CA 2.637 58.418 55.803 -0.036 0.000 0.867 183 Q CB -0.755 27.982 28.738 -0.002 0.000 0.911 183 Q HN -0.611 7.602 8.270 -0.046 0.029 0.417 184 A N -1.358 121.457 122.820 -0.009 0.000 1.986 184 A HA -0.343 3.897 4.320 -0.134 0.000 0.220 184 A C 1.686 179.282 177.584 0.020 0.000 1.171 184 A CA 3.053 55.096 52.037 0.010 0.000 0.640 184 A CB -0.641 18.509 19.000 0.249 0.000 0.811 184 A HN 0.194 8.353 8.150 0.015 0.000 0.451 185 L N -0.132 121.101 121.223 0.016 0.000 1.971 185 L HA -0.246 4.129 4.340 0.057 0.000 0.208 185 L C 1.265 178.116 176.870 -0.031 0.000 1.083 185 L CA 3.320 58.128 54.840 -0.053 0.000 0.753 185 L CB -0.553 41.349 42.059 -0.261 0.000 0.893 185 L HN -0.217 7.901 8.230 -0.028 0.095 0.436 186 I N -2.654 117.891 120.570 -0.042 0.000 2.181 186 I HA -0.539 3.647 4.170 0.025 0.000 0.247 186 I C 1.349 177.508 176.117 0.071 0.000 1.081 186 I CA 3.381 64.695 61.300 0.022 0.000 1.340 186 I CB -0.406 37.599 38.000 0.010 0.000 1.036 186 I HN -0.411 7.669 8.210 -0.065 0.091 0.417 187 D N -0.239 120.169 120.400 0.014 0.000 2.321 187 D HA -0.346 4.325 4.640 0.050 0.000 0.194 187 D C 1.923 178.266 176.300 0.071 0.000 1.013 187 D CA 3.160 57.154 54.000 -0.010 0.000 0.863 187 D CB 0.473 41.179 40.800 -0.156 0.000 1.011 187 D HN -0.313 8.060 8.370 -0.015 -0.012 0.457 188 L N -4.860 116.338 121.223 -0.042 0.000 2.509 188 L HA 0.109 4.607 4.340 0.263 0.000 0.222 188 L C 0.201 177.207 176.870 0.226 0.000 1.123 188 L CA -1.157 53.695 54.840 0.020 0.000 0.856 188 L CB -0.270 41.604 42.059 -0.309 0.000 0.985 188 L HN -0.414 7.658 8.230 -0.173 0.054 0.456 189 H N 0.644 119.773 119.070 0.098 0.000 2.878 189 H HA -0.147 4.482 4.556 0.122 0.000 0.290 189 H C 0.072 175.509 175.328 0.182 0.000 1.065 189 H CA 1.682 57.806 56.048 0.126 0.000 1.477 189 H CB -0.172 29.628 29.762 0.063 0.000 1.484 189 H HN 0.147 8.553 8.280 0.209 0.000 0.504 190 N N 2.847 121.661 118.700 0.190 0.000 2.747 190 N HA -0.527 4.498 4.740 0.180 -0.177 0.249 190 N C -0.892 174.619 175.510 0.002 0.000 1.107 190 N CA 1.299 54.420 53.050 0.118 0.000 0.707 190 N CB -2.412 36.141 38.487 0.110 0.000 1.054 190 N HN 0.913 9.371 8.380 0.336 0.124 0.555 191 H N 1.315 120.411 119.070 0.043 0.000 3.426 191 H HA -0.252 4.273 4.556 -0.053 0.000 0.218 191 H C 0.401 175.640 175.328 -0.149 0.000 0.938 191 H CA 1.149 57.167 56.048 -0.050 0.000 1.380 191 H CB -0.969 28.764 29.762 -0.048 0.000 1.571 191 H HN -0.013 8.292 8.280 0.169 0.077 0.524 192 D N 5.052 125.016 120.400 -0.726 0.000 3.011 192 D HA -0.324 3.354 4.640 -1.603 0.000 0.268 192 D C -0.322 175.665 176.300 -0.521 0.000 1.410 192 D CA 0.958 54.396 54.000 -0.937 0.000 1.475 192 D CB -1.274 39.004 40.800 -0.869 0.000 1.180 192 D HN 0.065 7.985 8.370 -0.749 0.000 0.569 193 L N 1.759 122.785 121.223 -0.328 0.000 1.970 193 L HA -0.231 4.087 4.340 -0.036 0.000 0.212 193 L C 1.021 177.861 176.870 -0.051 0.000 1.071 193 L CA 1.899 56.699 54.840 -0.067 0.000 0.751 193 L CB 0.534 42.625 42.059 0.053 0.000 0.889 193 L HN -0.377 7.564 8.230 -0.458 0.015 0.432 194 G N -5.734 103.099 108.800 0.055 0.000 2.402 194 G HA2 -0.190 3.917 3.960 0.246 0.000 0.666 194 G HA3 -0.190 3.798 3.960 0.047 0.000 0.666 194 G C -1.842 173.170 174.900 0.187 0.000 1.402 194 G CA -1.022 44.156 45.100 0.130 0.000 0.920 194 G HN -0.641 7.800 8.290 0.251 0.000 0.651 195 E N 1.089 121.395 120.200 0.175 0.000 1.906 195 E HA -0.490 3.923 4.350 0.105 0.000 0.168 195 E C -0.739 175.936 176.600 0.125 0.000 1.352 195 E CA 1.087 57.572 56.400 0.141 0.000 0.615 195 E CB -2.198 27.577 29.700 0.125 0.000 1.036 195 E HN 0.390 8.825 8.360 0.125 0.000 0.294 196 N N -4.362 114.254 118.700 -0.140 0.000 2.778 196 N HA -0.508 3.374 4.740 -1.430 0.000 0.249 196 N C -0.728 174.725 175.510 -0.094 0.000 1.069 196 N CA 1.777 54.534 53.050 -0.488 0.000 0.831 196 N CB -1.301 37.024 38.487 -0.269 0.000 1.142 196 N HN -0.020 8.304 8.380 -0.016 0.047 0.573 197 H N 0.329 119.406 119.070 0.012 0.000 2.727 197 H HA 0.066 4.664 4.556 0.070 0.000 0.312 197 H C -0.729 174.745 175.328 0.243 0.000 1.204 197 H CA -1.338 54.777 56.048 0.111 0.000 1.122 197 H CB -1.225 28.601 29.762 0.108 0.000 1.453 197 H HN -0.649 7.762 8.280 0.416 0.118 0.514 198 H N -1.358 117.800 119.070 0.147 0.000 2.852 198 H HA -0.352 4.459 4.556 0.051 -0.225 0.362 198 H C -0.413 174.992 175.328 0.128 0.000 1.122 198 H CA -0.054 56.046 56.048 0.087 0.000 1.419 198 H CB 0.887 30.679 29.762 0.051 0.000 1.401 198 H HN -0.850 7.497 8.280 0.334 0.133 0.609 199 L N 0.055 121.418 121.223 0.233 0.000 2.397 199 L HA 0.110 4.585 4.340 0.225 0.000 0.271 199 L C -0.567 176.487 176.870 0.306 0.000 1.148 199 L CA -0.150 54.835 54.840 0.241 0.000 0.825 199 L CB 1.074 43.275 42.059 0.237 0.000 1.117 199 L HN -0.335 8.002 8.230 0.177 0.000 0.456 200 R N 5.014 125.702 120.500 0.313 0.000 2.494 200 R HA 0.399 5.130 4.340 0.651 0.000 0.305 200 R C -2.240 174.195 176.300 0.225 0.000 0.959 200 R CA -1.076 55.256 56.100 0.386 0.000 0.864 200 R CB 2.305 32.797 30.300 0.319 0.000 1.159 200 R HN 0.064 8.490 8.270 0.261 0.000 0.446 201 V N 3.221 123.116 119.914 -0.031 0.000 2.924 201 V HA 0.760 4.922 4.120 -0.234 -0.183 0.300 201 V C -2.335 173.350 176.094 -0.681 0.000 1.227 201 V CA -1.431 60.679 62.300 -0.316 0.000 0.954 201 V CB 2.636 34.409 31.823 -0.084 0.000 1.055 201 V HN -0.231 8.043 8.190 0.140 0.000 0.429 202 S N 4.485 119.760 115.700 -0.709 0.000 3.070 202 S HA 0.223 4.422 4.470 -0.451 0.000 0.320 202 S C -1.915 172.507 174.600 -0.297 0.000 1.215 202 S CA -1.818 56.071 58.200 -0.519 0.000 0.956 202 S CB 1.755 64.602 63.200 -0.589 0.000 1.337 202 S HN -0.008 7.663 8.310 -1.066 0.000 0.639 203 F N -0.193 119.619 119.950 -0.230 0.000 2.332 203 F HA 0.371 4.936 4.527 -0.131 -0.116 0.368 203 F C -0.143 175.590 175.800 -0.111 0.000 1.110 203 F CA -0.925 56.997 58.000 -0.131 0.000 1.087 203 F CB 0.578 39.555 39.000 -0.039 0.000 1.235 203 F HN 0.312 8.793 8.300 0.302 0.000 0.470 204 S N 2.676 118.359 115.700 -0.028 0.000 2.601 204 S HA 0.115 4.514 4.470 -0.119 0.000 0.271 204 S C 0.766 175.118 174.600 -0.414 0.000 1.305 204 S CA -0.162 57.938 58.200 -0.168 0.000 1.022 204 S CB 1.624 64.691 63.200 -0.222 0.000 0.940 204 S HN 0.573 8.745 8.310 -0.059 0.102 0.525 205 K N 3.693 123.757 120.400 -0.561 0.000 2.228 205 K HA -0.183 3.230 4.320 -1.511 0.000 0.202 205 K C -0.243 176.060 176.600 -0.496 0.000 1.051 205 K CA 1.964 57.729 56.287 -0.871 0.000 0.960 205 K CB 0.211 32.396 32.500 -0.525 0.000 0.743 205 K HN 0.449 8.483 8.250 -0.360 0.000 0.458 206 S N 0.075 115.550 115.700 -0.375 0.000 2.641 206 S HA 0.074 4.403 4.470 -0.235 0.000 0.261 206 S C -0.766 173.679 174.600 -0.258 0.000 1.257 206 S CA 0.219 58.249 58.200 -0.284 0.000 0.983 206 S CB 0.970 63.981 63.200 -0.314 0.000 0.990 206 S HN -0.395 7.682 8.310 -0.390 0.000 0.572 207 T N -2.388 112.046 114.554 -0.201 0.000 2.838 207 T HA 0.297 4.545 4.350 -0.171 0.000 0.292 207 T C -1.194 173.422 174.700 -0.140 0.000 1.113 207 T CA -1.022 60.979 62.100 -0.163 0.000 1.008 207 T CB 2.684 71.475 68.868 -0.127 0.000 1.259 207 T HN -0.259 7.871 8.240 -0.183 0.000 0.520 208 I N 0.000 120.499 120.570 -0.118 0.000 2.984 208 I HA 0.000 4.121 4.170 -0.082 0.000 0.288 208 I CA 0.000 61.244 61.300 -0.094 0.000 1.566 208 I CB 0.000 37.934 38.000 -0.111 0.000 1.214 208 I HN 0.000 8.139 8.210 -0.118 0.000 0.494