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 1m0v_9_A DATA FIRST_RESID 1 DATA SEQUENCE MNLSLSDLHR QVSRLVQQES GDCTGKLRGN VAANKETTFQ GLTIASGARE DATA SEQUENCE SEKVFAQTVL SHVANVVLTQ EDTAKLLQST VKHNLNNYDL RSVGNGNSVL DATA SEQUENCE VSLRSDQMTL QDAKVLLEAA LRQESGARGS 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 4.465 4.480 -0.025 0.000 0.227 1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.051 0.000 1.302 2 N N -1.342 117.333 118.700 -0.043 0.000 4.978 2 N HA -0.271 4.418 4.740 -0.084 0.000 0.303 2 N C -1.166 174.340 175.510 -0.007 0.000 0.902 2 N CA 0.980 54.001 53.050 -0.049 0.000 1.111 2 N CB -0.516 37.939 38.487 -0.052 0.000 0.776 2 N HN 0.010 8.358 8.380 -0.054 0.000 0.578 3 L N -3.950 117.272 121.223 -0.003 0.000 2.562 3 L HA 0.401 4.743 4.340 0.004 0.000 0.188 3 L C 0.464 177.356 176.870 0.037 0.000 1.342 3 L CA 0.426 55.271 54.840 0.008 0.000 1.104 3 L CB 0.046 42.097 42.059 -0.012 0.000 1.257 3 L HN 0.050 8.264 8.230 -0.027 0.000 0.632 4 S N -3.734 111.978 115.700 0.021 0.000 2.903 4 S HA 0.040 4.488 4.470 -0.038 0.000 0.314 4 S C -1.182 173.347 174.600 -0.119 0.000 1.177 4 S CA -1.041 57.136 58.200 -0.039 0.000 0.859 4 S CB 1.725 64.902 63.200 -0.038 0.000 1.265 4 S HN -0.659 7.660 8.310 0.014 0.000 0.584 5 L N -0.372 120.716 121.223 -0.225 0.000 2.296 5 L HA 0.243 4.449 4.340 -0.223 0.000 0.193 5 L C 1.256 178.103 176.870 -0.038 0.000 1.123 5 L CA 1.682 56.387 54.840 -0.224 0.000 0.805 5 L CB 1.013 42.883 42.059 -0.314 0.000 1.004 5 L HN 0.482 8.593 8.230 -0.197 0.000 0.478 6 S N -1.828 113.851 115.700 -0.035 0.000 2.382 6 S HA -0.285 4.218 4.470 0.055 0.000 0.228 6 S C 1.434 176.079 174.600 0.075 0.000 1.027 6 S CA 3.282 61.500 58.200 0.031 0.000 0.991 6 S CB -0.325 62.877 63.200 0.002 0.000 0.823 6 S HN 0.457 8.722 8.310 -0.075 0.000 0.469 7 D N 1.696 122.117 120.400 0.035 0.000 2.084 7 D HA -0.297 4.366 4.640 0.039 0.000 0.196 7 D C 1.757 178.092 176.300 0.058 0.000 0.985 7 D CA 3.188 57.210 54.000 0.037 0.000 0.826 7 D CB -0.741 40.068 40.800 0.016 0.000 0.978 7 D HN -0.621 7.740 8.370 0.005 0.012 0.456 8 L N -0.296 120.966 121.223 0.064 0.000 1.997 8 L HA -0.411 3.971 4.340 0.071 0.000 0.216 8 L C 1.214 178.175 176.870 0.151 0.000 1.074 8 L CA 3.238 58.136 54.840 0.097 0.000 0.763 8 L CB -0.238 41.883 42.059 0.104 0.000 0.890 8 L HN -0.577 7.676 8.230 0.039 0.000 0.434 9 H N -0.812 118.300 119.070 0.069 0.000 2.353 9 H HA -0.466 4.148 4.556 0.096 0.000 0.298 9 H C 2.302 177.662 175.328 0.053 0.000 1.103 9 H CA 4.194 60.283 56.048 0.068 0.000 1.293 9 H CB 0.280 30.066 29.762 0.040 0.000 1.372 9 H HN 0.157 8.574 8.280 0.229 0.000 0.501 10 R N -1.714 118.803 120.500 0.029 0.000 2.082 10 R HA -0.403 3.890 4.340 -0.079 0.000 0.234 10 R C 2.525 178.794 176.300 -0.052 0.000 1.136 10 R CA 3.662 59.743 56.100 -0.031 0.000 0.935 10 R CB -0.356 29.959 30.300 0.025 0.000 0.842 10 R HN 0.003 8.250 8.270 0.126 0.099 0.430 11 Q N -1.322 118.478 119.800 -0.001 0.000 2.050 11 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 11 Q C 2.605 178.611 176.000 0.011 0.000 0.980 11 Q CA 2.700 58.510 55.803 0.012 0.000 0.840 11 Q CB -0.566 28.195 28.738 0.038 0.000 0.898 11 Q HN -0.145 8.140 8.270 0.024 0.000 0.424 12 V N 1.264 121.203 119.914 0.042 0.000 2.295 12 V HA -0.466 3.699 4.120 0.075 0.000 0.246 12 V C 1.723 177.781 176.094 -0.059 0.000 1.049 12 V CA 3.519 65.848 62.300 0.048 0.000 1.024 12 V CB -0.087 31.827 31.823 0.152 0.000 0.648 12 V HN 0.225 8.458 8.190 0.071 0.000 0.447 13 S N 0.203 115.792 115.700 -0.186 0.000 2.356 13 S HA -0.367 3.983 4.470 -0.200 0.000 0.223 13 S C 2.297 176.811 174.600 -0.143 0.000 1.032 13 S CA 4.457 62.499 58.200 -0.263 0.000 1.005 13 S CB -0.258 62.570 63.200 -0.620 0.000 0.867 13 S HN 0.348 8.398 8.310 -0.229 0.123 0.449 14 R N 0.667 121.098 120.500 -0.114 0.000 2.193 14 R HA -0.259 4.045 4.340 -0.060 0.000 0.229 14 R C 2.872 179.148 176.300 -0.039 0.000 1.110 14 R CA 2.917 58.980 56.100 -0.061 0.000 0.988 14 R CB -0.292 29.983 30.300 -0.041 0.000 0.871 14 R HN 0.252 8.325 8.270 -0.132 0.118 0.458 15 L N 0.005 121.207 121.223 -0.034 0.000 1.993 15 L HA -0.296 4.038 4.340 -0.011 0.000 0.206 15 L C 2.192 179.047 176.870 -0.025 0.000 1.074 15 L CA 3.431 58.261 54.840 -0.017 0.000 0.746 15 L CB 0.072 42.131 42.059 0.000 0.000 0.896 15 L HN -0.021 8.024 8.230 -0.042 0.159 0.435 16 V N -1.413 118.479 119.914 -0.035 0.000 2.548 16 V HA -0.466 3.796 4.120 -0.030 -0.160 0.249 16 V C 2.079 178.151 176.094 -0.035 0.000 1.055 16 V CA 3.874 66.152 62.300 -0.036 0.000 1.065 16 V CB -0.602 31.194 31.823 -0.045 0.000 0.681 16 V HN -0.175 7.990 8.190 -0.042 0.000 0.462 17 Q N -2.977 116.797 119.800 -0.043 0.000 2.369 17 Q HA -0.169 4.152 4.340 -0.032 0.000 0.206 17 Q C 0.312 176.296 176.000 -0.026 0.000 0.963 17 Q CA 2.035 57.816 55.803 -0.036 0.000 0.894 17 Q CB 0.378 29.088 28.738 -0.046 0.000 0.965 17 Q HN 0.251 8.360 8.270 -0.054 0.129 0.475 18 Q N -4.811 114.974 119.800 -0.024 0.000 2.855 18 Q HA 0.158 4.489 4.340 -0.016 0.000 0.297 18 Q C -1.601 174.390 176.000 -0.014 0.000 0.740 18 Q CA -0.044 55.748 55.803 -0.017 0.000 1.027 18 Q CB 0.360 29.089 28.738 -0.015 0.000 1.482 18 Q HN -0.694 7.402 8.270 -0.027 0.158 0.373 19 E N -1.750 118.441 120.200 -0.015 0.000 2.324 19 E HA 0.046 4.391 4.350 -0.010 0.000 0.279 19 E C -0.450 176.142 176.600 -0.013 0.000 1.081 19 E CA 0.951 57.344 56.400 -0.012 0.000 2.045 19 E CB 0.676 30.371 29.700 -0.009 0.000 2.820 19 E HN -0.043 8.307 8.360 -0.018 0.000 1.085 20 S N -0.226 115.464 115.700 -0.017 0.000 2.310 20 S HA -0.136 4.323 4.470 -0.018 0.000 0.201 20 S C 0.739 175.327 174.600 -0.021 0.000 1.032 20 S CA 3.175 61.363 58.200 -0.020 0.000 0.993 20 S CB 1.037 64.222 63.200 -0.024 0.000 0.970 20 S HN 0.277 8.433 8.310 -0.018 0.144 0.446 21 G N -1.757 107.028 108.800 -0.025 0.000 2.697 21 G HA2 -0.186 3.871 3.960 -0.025 0.000 0.200 21 G HA3 -0.186 3.762 3.960 -0.021 0.000 0.200 21 G C -1.499 173.384 174.900 -0.028 0.000 1.106 21 G CA -0.156 44.929 45.100 -0.025 0.000 0.748 21 G HN 0.166 8.439 8.290 -0.028 0.000 0.503 22 D N -0.497 119.888 120.400 -0.025 0.000 4.051 22 D HA 0.154 4.773 4.640 -0.036 0.000 0.224 22 D C -1.553 174.743 176.300 -0.007 0.000 1.327 22 D CA -0.249 53.737 54.000 -0.023 0.000 0.794 22 D CB 0.612 41.397 40.800 -0.024 0.000 1.621 22 D HN -0.105 8.193 8.370 -0.022 0.059 0.649 23 C N -2.563 116.720 119.300 -0.027 0.000 2.672 23 C HA 0.008 4.446 4.460 -0.035 0.000 0.317 23 C C -0.061 174.885 174.990 -0.073 0.000 2.142 23 C CA -1.205 57.785 59.018 -0.047 0.000 1.910 23 C CB 1.795 29.502 27.740 -0.055 0.000 1.919 23 C HN -0.365 7.846 8.230 -0.032 0.000 0.515 24 T N 1.227 115.712 114.554 -0.115 0.000 2.867 24 T HA 0.173 4.528 4.350 -0.090 -0.059 0.282 24 T C -1.140 173.516 174.700 -0.072 0.000 1.000 24 T CA 0.504 62.536 62.100 -0.113 0.000 1.042 24 T CB 1.437 70.165 68.868 -0.233 0.000 0.973 24 T HN 0.127 8.285 8.240 -0.136 0.000 0.465 25 G N 1.418 110.144 108.800 -0.124 0.000 2.379 25 G HA2 0.458 4.680 3.960 0.024 0.000 0.327 25 G HA3 0.458 4.187 3.960 -0.384 0.000 0.327 25 G C -2.774 172.233 174.900 0.179 0.000 1.145 25 G CA -1.257 43.782 45.100 -0.102 0.000 0.905 25 G HN -0.103 7.995 8.290 -0.189 0.078 0.466 26 K N 3.464 124.096 120.400 0.388 0.000 2.221 26 K HA 0.394 5.001 4.320 0.477 0.000 0.258 26 K C -1.631 175.224 176.600 0.426 0.000 0.944 26 K CA -1.666 54.881 56.287 0.433 0.000 0.823 26 K CB 2.279 34.928 32.500 0.248 0.000 1.113 26 K HN 0.097 8.420 8.250 0.305 0.109 0.431 27 L N 3.608 124.973 121.223 0.236 0.000 2.358 27 L HA 0.892 5.299 4.340 -0.242 -0.212 0.268 27 L C -0.138 176.690 176.870 -0.069 0.000 1.032 27 L CA -0.418 54.320 54.840 -0.171 0.000 0.805 27 L CB 2.813 44.543 42.059 -0.548 0.000 1.253 27 L HN 0.442 8.849 8.230 0.295 0.000 0.452 28 R N 1.625 122.063 120.500 -0.103 0.000 2.111 28 R HA -0.069 4.237 4.340 -0.057 0.000 0.159 28 R C -0.894 175.377 176.300 -0.048 0.000 1.052 28 R CA 0.133 56.202 56.100 -0.053 0.000 0.688 28 R CB -0.698 29.594 30.300 -0.013 0.000 1.338 28 R HN -0.078 8.093 8.270 -0.165 0.000 0.346 29 G N -2.668 106.091 108.800 -0.069 0.000 2.184 29 G HA2 -0.415 3.518 3.960 -0.045 0.000 0.264 29 G HA3 -0.415 3.528 3.960 -0.029 0.000 0.264 29 G C -1.497 173.381 174.900 -0.037 0.000 0.975 29 G CA 1.290 46.363 45.100 -0.045 0.000 0.642 29 G HN 0.418 8.647 8.290 -0.101 0.000 0.536 30 N N -2.448 116.223 118.700 -0.049 0.000 3.185 30 N HA 0.047 4.778 4.740 -0.014 0.000 0.238 30 N C -2.653 172.853 175.510 -0.006 0.000 1.451 30 N CA -0.989 52.050 53.050 -0.017 0.000 0.888 30 N CB 1.584 40.075 38.487 0.007 0.000 1.413 30 N HN -0.431 7.905 8.380 -0.074 -0.000 0.511 31 V N 0.969 120.922 119.914 0.065 0.000 2.448 31 V HA 0.999 5.529 4.120 0.231 -0.272 0.295 31 V C -1.987 174.206 176.094 0.165 0.000 1.025 31 V CA -2.420 59.998 62.300 0.196 0.000 0.859 31 V CB 2.205 34.236 31.823 0.345 0.000 0.988 31 V HN 0.192 8.418 8.190 0.060 0.000 0.431 32 A N 8.099 131.031 122.820 0.187 0.000 2.346 32 A HA 0.340 4.713 4.320 0.088 0.000 0.313 32 A C -2.482 175.165 177.584 0.106 0.000 1.140 32 A CA -1.449 50.659 52.037 0.119 0.000 0.826 32 A CB 3.127 22.186 19.000 0.099 0.000 1.332 32 A HN 0.647 8.953 8.150 0.259 0.000 0.457 33 A N -1.101 121.753 122.820 0.057 0.000 2.305 33 A HA 0.604 5.069 4.320 0.018 -0.134 0.322 33 A C -1.144 176.444 177.584 0.006 0.000 1.187 33 A CA -1.545 50.505 52.037 0.022 0.000 0.825 33 A CB 1.577 20.579 19.000 0.005 0.000 1.164 33 A HN 0.162 8.342 8.150 0.049 0.000 0.498 34 N N 3.336 122.016 118.700 -0.032 0.000 2.483 34 N HA 0.210 4.920 4.740 -0.049 0.000 0.267 34 N C -0.410 175.017 175.510 -0.138 0.000 0.998 34 N CA -0.725 52.275 53.050 -0.084 0.000 0.918 34 N CB 1.421 39.831 38.487 -0.127 0.000 1.215 34 N HN 0.606 8.872 8.380 -0.043 0.088 0.500 35 K N 5.121 125.457 120.400 -0.107 0.000 2.399 35 K HA 0.182 4.431 4.320 -0.117 0.000 0.196 35 K C 1.188 177.717 176.600 -0.118 0.000 1.103 35 K CA 0.443 56.668 56.287 -0.103 0.000 0.986 35 K CB -0.121 32.345 32.500 -0.057 0.000 0.952 35 K HN 0.410 8.614 8.250 -0.077 0.000 0.541 36 E N -0.222 119.912 120.200 -0.109 0.000 2.070 36 E HA -0.236 4.074 4.350 -0.067 0.000 0.197 36 E C 0.592 177.109 176.600 -0.138 0.000 1.004 36 E CA 2.562 58.906 56.400 -0.093 0.000 0.805 36 E CB 0.280 29.944 29.700 -0.060 0.000 0.744 36 E HN 0.033 8.364 8.360 -0.095 -0.028 0.451 37 T N -4.433 109.973 114.554 -0.246 0.000 2.598 37 T HA 0.227 4.447 4.350 -0.216 0.000 0.254 37 T C -2.208 172.211 174.700 -0.469 0.000 0.889 37 T CA -2.183 59.726 62.100 -0.319 0.000 1.091 37 T CB 1.377 70.065 68.868 -0.300 0.000 1.437 37 T HN -0.429 7.924 8.240 -0.294 -0.290 0.542 38 T N -0.476 113.760 114.554 -0.531 0.000 3.566 38 T HA 0.285 4.332 4.350 -0.506 0.000 0.330 38 T C -1.352 173.185 174.700 -0.272 0.000 0.877 38 T CA -1.036 60.780 62.100 -0.473 0.000 1.030 38 T CB 0.644 69.204 68.868 -0.513 0.000 1.033 38 T HN -0.020 7.965 8.240 -0.425 0.000 0.463 39 F N 5.436 125.360 119.950 -0.044 0.000 2.410 39 F HA 0.070 4.672 4.527 -0.024 -0.090 0.348 39 F C -1.246 174.566 175.800 0.020 0.000 1.106 39 F CA -0.875 57.116 58.000 -0.016 0.000 1.163 39 F CB 0.610 39.606 39.000 -0.006 0.000 1.129 39 F HN -0.067 7.875 8.300 -0.596 0.000 0.516 40 Q N -0.886 119.042 119.800 0.213 0.000 3.737 40 Q HA 0.125 4.585 4.340 0.199 0.000 0.182 40 Q C -0.855 175.155 176.000 0.017 0.000 0.855 40 Q CA -1.777 54.118 55.803 0.153 0.000 0.781 40 Q CB 0.029 28.889 28.738 0.203 0.000 1.464 40 Q HN 0.117 8.515 8.270 0.212 0.000 0.462 41 G N 1.957 110.716 108.800 -0.069 0.000 3.144 41 G HA2 -0.374 3.636 3.960 -0.146 0.000 0.247 41 G HA3 -0.374 3.483 3.960 -0.171 0.000 0.247 41 G C -2.176 172.693 174.900 -0.053 0.000 0.899 41 G CA 0.582 45.609 45.100 -0.121 0.000 0.822 41 G HN 0.016 8.155 8.290 -0.043 0.125 0.362 42 L N 1.783 122.972 121.223 -0.057 0.000 2.912 42 L HA 0.289 4.606 4.340 -0.037 0.000 0.233 42 L C -1.968 174.864 176.870 -0.064 0.000 1.105 42 L CA -0.247 54.565 54.840 -0.048 0.000 1.336 42 L CB 2.134 44.172 42.059 -0.034 0.000 1.612 42 L HN -0.028 8.171 8.230 -0.071 -0.011 0.441 43 T N -2.159 112.352 114.554 -0.071 0.000 4.048 43 T HA 0.191 4.496 4.350 -0.074 0.000 0.321 43 T C -0.037 174.615 174.700 -0.080 0.000 0.890 43 T CA 0.459 62.517 62.100 -0.070 0.000 0.950 43 T CB 0.604 69.443 68.868 -0.049 0.000 1.150 43 T HN 0.333 8.531 8.240 -0.071 0.000 0.557 44 I N -3.711 116.792 120.570 -0.112 0.000 5.405 44 I HA -0.494 3.581 4.170 -0.159 0.000 0.184 44 I C -0.074 176.003 176.117 -0.066 0.000 1.786 44 I CA 1.467 62.697 61.300 -0.115 0.000 1.490 44 I CB -1.891 36.043 38.000 -0.109 0.000 3.212 44 I HN -0.046 8.084 8.210 -0.132 0.000 0.244 45 A N -0.506 122.285 122.820 -0.049 0.000 1.862 45 A HA 0.023 4.326 4.320 -0.028 0.000 0.211 45 A C 1.069 178.642 177.584 -0.018 0.000 1.220 45 A CA 1.597 53.617 52.037 -0.030 0.000 0.616 45 A CB 0.037 19.022 19.000 -0.025 0.000 0.878 45 A HN -0.141 7.889 8.150 -0.053 0.088 0.453 46 S N -1.024 114.668 115.700 -0.013 0.000 2.343 46 S HA -0.125 4.346 4.470 0.001 0.000 0.219 46 S C 0.459 175.067 174.600 0.012 0.000 1.033 46 S CA 1.515 59.716 58.200 0.001 0.000 1.014 46 S CB 0.381 63.585 63.200 0.007 0.000 0.915 46 S HN -0.331 7.968 8.310 -0.019 0.000 0.435 47 G N -0.165 108.646 108.800 0.018 0.000 3.967 47 G HA2 0.068 4.047 3.960 0.033 0.000 0.275 47 G HA3 0.068 4.069 3.960 0.069 0.000 0.275 47 G C -2.702 172.251 174.900 0.088 0.000 3.717 47 G CA -0.034 45.096 45.100 0.050 0.000 0.565 47 G HN -0.294 7.999 8.290 0.006 0.000 0.255 48 A N 0.283 123.073 122.820 -0.049 0.000 2.973 48 A HA 0.410 4.579 4.320 -0.251 0.000 0.267 48 A C -2.355 175.003 177.584 -0.376 0.000 1.210 48 A CA -0.696 51.123 52.037 -0.363 0.000 0.749 48 A CB 2.595 21.281 19.000 -0.524 0.000 1.373 48 A HN -0.245 7.867 8.150 -0.063 0.000 0.585 49 R N -3.014 117.099 120.500 -0.644 0.000 2.962 49 R HA 0.342 4.586 4.340 -0.160 0.000 0.256 49 R C -0.389 175.772 176.300 -0.233 0.000 1.199 49 R CA -1.036 54.888 56.100 -0.294 0.000 1.012 49 R CB 2.641 32.859 30.300 -0.137 0.000 1.289 49 R HN -0.016 7.826 8.270 -1.075 -0.216 0.462 50 E N -0.028 120.108 120.200 -0.107 0.000 2.190 50 E HA -0.156 4.143 4.350 -0.084 0.000 0.191 50 E C 1.329 177.909 176.600 -0.034 0.000 0.978 50 E CA 2.635 58.994 56.400 -0.067 0.000 0.839 50 E CB 0.034 29.713 29.700 -0.035 0.000 0.787 50 E HN 0.579 8.900 8.360 -0.066 0.000 0.473 51 S N -0.387 115.316 115.700 0.005 0.000 2.363 51 S HA -0.357 4.155 4.470 0.071 0.000 0.218 51 S C 1.309 175.993 174.600 0.141 0.000 1.035 51 S CA 3.632 61.886 58.200 0.090 0.000 1.043 51 S CB -0.677 62.620 63.200 0.162 0.000 0.986 51 S HN 0.009 8.319 8.310 0.000 0.000 0.423 52 E N 1.720 121.981 120.200 0.101 0.000 2.072 52 E HA -0.456 4.049 4.350 0.259 0.000 0.218 52 E C 2.382 179.040 176.600 0.098 0.000 1.051 52 E CA 2.895 59.363 56.400 0.114 0.000 0.880 52 E CB -1.160 28.451 29.700 -0.148 0.000 0.783 52 E HN 0.400 8.786 8.360 0.044 0.000 0.473 53 K N -0.509 119.878 120.400 -0.022 0.000 2.020 53 K HA -0.347 3.970 4.320 -0.006 0.000 0.212 53 K C 2.332 178.957 176.600 0.041 0.000 1.050 53 K CA 2.719 59.001 56.287 -0.009 0.000 0.929 53 K CB -0.658 31.808 32.500 -0.056 0.000 0.714 53 K HN -0.734 7.446 8.250 -0.116 0.000 0.443 54 V N 0.436 120.372 119.914 0.036 0.000 2.392 54 V HA -0.452 3.667 4.120 -0.002 0.000 0.249 54 V C 2.455 178.588 176.094 0.064 0.000 1.059 54 V CA 4.106 66.420 62.300 0.023 0.000 1.051 54 V CB -0.627 31.192 31.823 -0.007 0.000 0.658 54 V HN -0.317 7.884 8.190 0.018 0.000 0.455 55 F N 2.232 122.191 119.950 0.016 0.000 2.128 55 F HA 0.000 4.554 4.527 0.044 0.000 0.295 55 F C 1.416 177.245 175.800 0.047 0.000 1.100 55 F CA 2.380 60.407 58.000 0.045 0.000 1.260 55 F CB -0.190 38.855 39.000 0.074 0.000 1.009 55 F HN 0.617 8.846 8.300 0.262 0.229 0.476 56 A N -0.250 122.748 122.820 0.298 0.000 1.877 56 A HA -0.315 4.138 4.320 0.221 0.000 0.216 56 A C 2.407 180.063 177.584 0.120 0.000 1.186 56 A CA 3.028 55.174 52.037 0.182 0.000 0.620 56 A CB -0.708 18.345 19.000 0.088 0.000 0.822 56 A HN 0.751 8.867 8.150 0.256 0.187 0.443 57 Q N -2.905 116.936 119.800 0.069 0.000 2.084 57 Q HA -0.345 4.002 4.340 0.012 0.000 0.202 57 Q C 2.963 178.956 176.000 -0.012 0.000 0.978 57 Q CA 3.379 59.192 55.803 0.016 0.000 0.844 57 Q CB -0.258 28.475 28.738 -0.009 0.000 0.898 57 Q HN 0.490 8.695 8.270 0.072 0.108 0.426 58 T N -0.016 114.530 114.554 -0.014 0.000 2.643 58 T HA -0.330 3.900 4.350 -0.200 0.000 0.264 58 T C 1.783 176.448 174.700 -0.058 0.000 1.045 58 T CA 4.251 66.287 62.100 -0.106 0.000 1.155 58 T CB -0.357 68.436 68.868 -0.126 0.000 0.863 58 T HN -0.141 8.008 8.240 0.023 0.105 0.420 59 V N 2.789 122.788 119.914 0.142 0.000 2.343 59 V HA -0.446 3.832 4.120 0.264 0.000 0.247 59 V C 1.510 177.694 176.094 0.149 0.000 1.051 59 V CA 3.757 66.193 62.300 0.227 0.000 1.036 59 V CB -0.225 31.804 31.823 0.344 0.000 0.654 59 V HN 0.285 8.497 8.190 0.221 0.110 0.451 60 L N -1.190 120.100 121.223 0.112 0.000 2.042 60 L HA -0.383 4.018 4.340 0.102 0.000 0.210 60 L C 1.181 178.078 176.870 0.045 0.000 1.076 60 L CA 2.945 57.833 54.840 0.080 0.000 0.749 60 L CB -0.175 41.918 42.059 0.057 0.000 0.893 60 L HN 0.298 8.486 8.230 0.122 0.115 0.432 61 S N -1.735 113.958 115.700 -0.013 0.000 2.343 61 S HA -0.423 4.035 4.470 -0.021 0.000 0.219 61 S C 2.412 177.014 174.600 0.004 0.000 1.033 61 S CA 3.483 61.650 58.200 -0.054 0.000 1.014 61 S CB -0.032 63.069 63.200 -0.165 0.000 0.915 61 S HN -0.356 7.851 8.310 -0.030 0.084 0.435 62 H N 0.016 119.109 119.070 0.038 0.000 2.422 62 H HA -0.208 4.362 4.556 0.022 0.000 0.298 62 H C 1.737 177.084 175.328 0.033 0.000 1.098 62 H CA 2.195 58.263 56.048 0.033 0.000 1.315 62 H CB 0.170 29.956 29.762 0.040 0.000 1.382 62 H HN -0.137 8.044 8.280 -0.164 0.000 0.523 63 V N -1.007 119.004 119.914 0.163 0.000 2.584 63 V HA 0.050 4.225 4.120 0.092 0.000 0.319 63 V C -0.854 175.286 176.094 0.075 0.000 1.363 63 V CA -2.074 60.289 62.300 0.106 0.000 1.518 63 V CB -3.159 28.728 31.823 0.106 0.000 1.514 63 V HN 0.004 8.178 8.190 0.156 0.110 0.553 64 A N 4.023 126.882 122.820 0.066 0.000 2.416 64 A HA 0.049 4.395 4.320 0.042 0.000 0.252 64 A C -0.474 177.132 177.584 0.037 0.000 1.353 64 A CA 0.607 52.671 52.037 0.046 0.000 0.996 64 A CB -0.993 18.031 19.000 0.039 0.000 0.961 64 A HN -0.169 7.962 8.150 0.078 0.066 0.523 65 N N -3.652 115.071 118.700 0.039 0.000 2.463 65 N HA -0.127 4.630 4.740 0.029 0.000 0.270 65 N C -0.869 174.657 175.510 0.027 0.000 1.586 65 N CA 0.523 53.591 53.050 0.030 0.000 3.126 65 N CB 0.032 38.533 38.487 0.023 0.000 1.611 65 N HN -0.841 7.442 8.380 0.047 0.125 1.144 66 V N -4.356 115.573 119.914 0.024 0.000 2.083 66 V HA -0.410 3.937 4.120 0.009 -0.221 0.189 66 V C -0.964 175.135 176.094 0.009 0.000 2.191 66 V CA 1.914 64.222 62.300 0.015 0.000 2.383 66 V CB -0.319 31.514 31.823 0.017 0.000 1.198 66 V HN -0.155 8.052 8.190 0.027 0.000 0.366 67 V N -6.104 113.811 119.914 0.001 0.000 2.670 67 V HA 0.349 4.641 4.120 0.004 -0.170 0.258 67 V C -0.912 175.180 176.094 -0.004 0.000 0.906 67 V CA -2.061 60.239 62.300 -0.001 0.000 0.887 67 V CB -0.027 31.793 31.823 -0.004 0.000 1.059 67 V HN -0.418 7.769 8.190 -0.004 0.000 0.484 68 L N 5.344 126.567 121.223 0.000 0.000 2.704 68 L HA 0.023 4.359 4.340 -0.008 0.000 0.279 68 L C 0.625 177.493 176.870 -0.003 0.000 1.147 68 L CA 0.304 55.143 54.840 -0.003 0.000 0.994 68 L CB -1.927 40.133 42.059 0.001 0.000 1.332 68 L HN 0.749 8.897 8.230 0.006 0.086 0.471 69 T N 1.710 116.260 114.554 -0.006 0.000 2.681 69 T HA -0.048 4.395 4.350 -0.003 -0.095 0.333 69 T C 1.526 176.223 174.700 -0.004 0.000 1.049 69 T CA -1.098 60.999 62.100 -0.005 0.000 1.002 69 T CB 2.048 70.913 68.868 -0.006 0.000 1.161 69 T HN -0.336 8.001 8.240 -0.009 -0.102 0.519 70 Q N 0.655 120.452 119.800 -0.004 0.000 2.217 70 Q HA -0.386 3.951 4.340 -0.004 0.000 0.209 70 Q C 2.288 178.285 176.000 -0.006 0.000 0.988 70 Q CA 3.303 59.103 55.803 -0.004 0.000 0.878 70 Q CB -1.419 27.316 28.738 -0.004 0.000 0.909 70 Q HN 0.374 8.642 8.270 -0.003 0.000 0.424 71 E N 0.599 120.797 120.200 -0.005 0.000 2.005 71 E HA -0.275 4.072 4.350 -0.005 0.000 0.191 71 E C 1.779 178.375 176.600 -0.007 0.000 0.987 71 E CA 3.244 59.642 56.400 -0.004 0.000 0.814 71 E CB -0.206 29.495 29.700 0.002 0.000 0.772 71 E HN -0.546 7.788 8.360 -0.004 0.023 0.453 72 D N -1.637 118.760 120.400 -0.005 0.000 2.190 72 D HA -0.298 4.339 4.640 -0.005 0.000 0.200 72 D C 2.162 178.452 176.300 -0.016 0.000 0.992 72 D CA 3.392 57.387 54.000 -0.008 0.000 0.854 72 D CB -0.611 40.184 40.800 -0.007 0.000 0.936 72 D HN -0.086 8.282 8.370 -0.004 0.000 0.462 73 T N -0.150 114.397 114.554 -0.012 0.000 2.643 73 T HA -0.340 4.003 4.350 -0.012 0.000 0.264 73 T C 1.648 176.335 174.700 -0.021 0.000 1.045 73 T CA 3.667 65.759 62.100 -0.013 0.000 1.155 73 T CB -0.959 67.906 68.868 -0.006 0.000 0.863 73 T HN 0.499 8.603 8.240 -0.009 0.131 0.420 74 A N 0.750 123.558 122.820 -0.019 0.000 2.076 74 A HA -0.321 3.985 4.320 -0.024 0.000 0.220 74 A C 2.132 179.694 177.584 -0.037 0.000 1.160 74 A CA 2.733 54.756 52.037 -0.024 0.000 0.653 74 A CB -0.928 18.061 19.000 -0.019 0.000 0.801 74 A HN -0.182 7.959 8.150 -0.015 0.000 0.455 75 K N -0.046 120.331 120.400 -0.038 0.000 1.965 75 K HA -0.272 4.018 4.320 -0.050 0.000 0.214 75 K C 2.072 178.614 176.600 -0.097 0.000 1.046 75 K CA 3.249 59.503 56.287 -0.054 0.000 0.944 75 K CB -0.289 32.190 32.500 -0.036 0.000 0.726 75 K HN -0.025 8.030 8.250 -0.028 0.178 0.441 76 L N -0.681 120.479 121.223 -0.106 0.000 2.081 76 L HA -0.322 3.842 4.340 -0.294 0.000 0.212 76 L C 2.875 179.655 176.870 -0.149 0.000 1.080 76 L CA 3.796 58.530 54.840 -0.176 0.000 0.754 76 L CB -0.431 41.564 42.059 -0.107 0.000 0.893 76 L HN 0.086 8.273 8.230 -0.072 0.000 0.433 77 L N -1.494 119.682 121.223 -0.078 0.000 1.956 77 L HA -0.597 3.723 4.340 -0.034 0.000 0.216 77 L C 1.790 178.622 176.870 -0.063 0.000 1.073 77 L CA 3.549 58.358 54.840 -0.051 0.000 0.762 77 L CB -0.533 41.507 42.059 -0.033 0.000 0.889 77 L HN 0.052 8.235 8.230 -0.063 0.009 0.433 78 Q N -1.141 118.618 119.800 -0.068 0.000 2.030 78 Q HA -0.445 3.858 4.340 -0.061 0.000 0.204 78 Q C 2.791 178.738 176.000 -0.089 0.000 0.986 78 Q CA 3.527 59.288 55.803 -0.070 0.000 0.843 78 Q CB -0.105 28.596 28.738 -0.062 0.000 0.904 78 Q HN 0.459 8.577 8.270 -0.062 0.114 0.420 79 S N -2.648 112.978 115.700 -0.123 0.000 2.420 79 S HA -0.199 4.380 4.470 -0.105 -0.171 0.237 79 S C 1.744 176.255 174.600 -0.148 0.000 1.023 79 S CA 2.936 61.042 58.200 -0.157 0.000 0.991 79 S CB -0.246 62.800 63.200 -0.256 0.000 0.792 79 S HN 0.441 8.571 8.310 -0.125 0.105 0.488 80 T N 1.719 116.190 114.554 -0.139 0.000 2.898 80 T HA -0.018 4.381 4.350 0.082 0.000 0.241 80 T C 1.679 176.400 174.700 0.035 0.000 1.024 80 T CA 3.717 65.813 62.100 -0.006 0.000 1.174 80 T CB 0.687 69.574 68.868 0.031 0.000 0.873 80 T HN -0.395 7.607 8.240 -0.147 0.149 0.422 81 V N -0.738 119.175 119.914 -0.003 0.000 2.660 81 V HA -0.436 3.692 4.120 0.012 0.000 0.257 81 V C 0.971 177.036 176.094 -0.047 0.000 1.088 81 V CA 3.063 65.356 62.300 -0.011 0.000 1.106 81 V CB -1.087 30.722 31.823 -0.024 0.000 0.686 81 V HN 0.385 8.455 8.190 -0.021 0.108 0.481 82 K N -1.237 119.115 120.400 -0.081 0.000 2.015 82 K HA -0.313 3.878 4.320 -0.215 0.000 0.220 82 K C 1.510 177.904 176.600 -0.342 0.000 1.055 82 K CA 2.414 58.576 56.287 -0.208 0.000 0.951 82 K CB -0.248 32.145 32.500 -0.178 0.000 0.725 82 K HN -0.127 8.039 8.250 -0.060 0.048 0.449 83 H N -5.026 114.052 119.070 0.013 0.000 2.451 83 H HA 0.078 4.640 4.556 0.009 0.000 0.240 83 H C -0.301 175.046 175.328 0.033 0.000 1.071 83 H CA 0.649 56.708 56.048 0.018 0.000 1.477 83 H CB 1.955 31.727 29.762 0.016 0.000 1.376 83 H HN -0.622 7.700 8.280 0.072 0.000 0.549 84 N N 0.481 119.306 118.700 0.209 0.000 2.438 84 N HA 0.037 4.841 4.740 0.108 0.000 0.282 84 N C -1.727 173.863 175.510 0.132 0.000 1.037 84 N CA -0.173 52.959 53.050 0.137 0.000 0.942 84 N CB 0.876 39.435 38.487 0.120 0.000 1.136 84 N HN -0.038 8.501 8.380 0.265 0.000 0.481 85 L N 0.930 122.210 121.223 0.095 0.000 2.502 85 L HA 0.320 4.738 4.340 0.130 0.000 0.247 85 L C -1.400 175.516 176.870 0.077 0.000 1.180 85 L CA -1.217 53.679 54.840 0.093 0.000 0.956 85 L CB -1.313 40.782 42.059 0.060 0.000 1.282 85 L HN 0.128 8.403 8.230 0.076 0.000 0.470 86 N N -0.941 117.810 118.700 0.084 0.000 3.262 86 N HA -0.040 4.730 4.740 0.049 0.000 0.168 86 N C -1.327 174.187 175.510 0.005 0.000 1.135 86 N CA 0.423 53.500 53.050 0.045 0.000 2.492 86 N CB 0.276 38.781 38.487 0.029 0.000 1.319 86 N HN -0.174 8.276 8.380 0.117 0.000 0.744 87 N N -1.274 117.420 118.700 -0.010 0.000 2.486 87 N HA 0.011 4.661 4.740 -0.149 0.000 0.242 87 N C -1.771 173.578 175.510 -0.269 0.000 1.083 87 N CA 0.916 53.843 53.050 -0.205 0.000 0.844 87 N CB 1.364 39.616 38.487 -0.392 0.000 1.527 87 N HN -0.042 8.394 8.380 0.094 0.000 0.462 88 Y N -2.639 117.673 120.300 0.021 0.000 2.308 88 Y HA 0.009 4.572 4.550 0.021 0.000 0.329 88 Y C -1.236 174.674 175.900 0.016 0.000 1.111 88 Y CA 0.233 58.345 58.100 0.020 0.000 1.179 88 Y CB 1.231 39.703 38.460 0.021 0.000 1.201 88 Y HN -0.378 8.072 8.280 0.283 0.000 0.483 89 D N 1.648 122.136 120.400 0.147 0.000 2.457 89 D HA 0.266 4.958 4.640 0.086 0.000 0.240 89 D C -2.062 174.288 176.300 0.084 0.000 1.041 89 D CA -1.620 52.434 54.000 0.090 0.000 0.861 89 D CB 3.033 43.863 40.800 0.050 0.000 1.394 89 D HN -0.108 8.346 8.370 0.140 0.000 0.473 90 L N -1.617 119.642 121.223 0.060 0.000 2.491 90 L HA 0.689 5.207 4.340 0.049 -0.148 0.254 90 L C -1.190 175.699 176.870 0.032 0.000 1.048 90 L CA -1.406 53.462 54.840 0.047 0.000 0.855 90 L CB 3.559 45.644 42.059 0.043 0.000 1.466 90 L HN 0.055 8.317 8.230 0.053 0.000 0.409 91 R N -0.539 119.976 120.500 0.026 0.000 2.808 91 R HA 0.446 4.797 4.340 0.018 0.000 0.272 91 R C -1.848 174.461 176.300 0.015 0.000 0.995 91 R CA -1.699 54.412 56.100 0.019 0.000 0.917 91 R CB 3.845 34.156 30.300 0.018 0.000 1.217 91 R HN 0.672 8.959 8.270 0.027 0.000 0.471 92 S N 3.010 118.717 115.700 0.012 0.000 2.651 92 S HA 0.951 5.563 4.470 0.009 -0.137 0.291 92 S C -0.844 173.760 174.600 0.008 0.000 1.141 92 S CA -0.893 57.312 58.200 0.009 0.000 1.027 92 S CB 2.420 65.624 63.200 0.007 0.000 1.043 92 S HN 0.235 8.552 8.310 0.012 0.000 0.530 93 V N -6.179 113.738 119.914 0.006 0.000 2.760 93 V HA 0.029 4.152 4.120 0.004 0.000 0.260 93 V C -1.277 174.819 176.094 0.003 0.000 1.825 93 V CA -0.263 62.040 62.300 0.005 0.000 0.867 93 V CB 1.188 33.015 31.823 0.006 0.000 1.377 93 V HN 0.703 8.819 8.190 0.005 0.077 0.434 94 G N 3.088 111.889 108.800 0.002 0.000 2.145 94 G HA2 -0.307 3.653 3.960 0.001 0.000 0.176 94 G HA3 -0.307 3.889 3.960 0.000 -0.236 0.176 94 G C -0.596 174.305 174.900 0.000 0.000 1.013 94 G CA 0.311 45.412 45.100 0.001 0.000 0.689 94 G HN 0.309 8.600 8.290 0.002 0.000 0.506 95 N N -2.886 115.814 118.700 0.001 0.000 2.681 95 N HA -0.276 4.465 4.740 0.001 0.000 0.250 95 N C -0.052 175.458 175.510 -0.000 0.000 1.133 95 N CA 0.573 53.623 53.050 0.000 0.000 0.732 95 N CB -0.474 38.013 38.487 -0.000 0.000 1.107 95 N HN -0.213 8.168 8.380 0.001 0.000 0.559 96 G N -8.033 100.767 108.800 0.000 0.000 3.288 96 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 96 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 96 G C -1.584 173.316 174.900 -0.001 0.000 0.944 96 G CA -0.231 44.869 45.100 -0.000 0.000 0.854 96 G HN -0.059 8.179 8.290 0.001 0.052 0.632 97 N N -0.380 118.320 118.700 0.000 0.000 2.485 97 N HA 0.264 5.142 4.740 -0.001 -0.138 0.280 97 N C -2.017 173.495 175.510 0.003 0.000 1.205 97 N CA -0.992 52.058 53.050 0.000 0.000 0.959 97 N CB 2.632 41.118 38.487 -0.001 0.000 1.206 97 N HN -0.415 7.773 8.380 0.001 0.192 0.545 98 S N -1.809 113.894 115.700 0.005 0.000 2.618 98 S HA 0.589 5.119 4.470 0.009 -0.055 0.277 98 S C -2.028 172.580 174.600 0.013 0.000 1.138 98 S CA -1.519 56.687 58.200 0.009 0.000 0.844 98 S CB 2.678 65.885 63.200 0.010 0.000 1.127 98 S HN 0.064 8.265 8.310 0.003 0.110 0.474 99 V N 1.969 121.894 119.914 0.018 0.000 2.612 99 V HA 0.718 5.100 4.120 0.022 -0.249 0.301 99 V C -1.614 174.499 176.094 0.033 0.000 1.046 99 V CA -2.383 59.931 62.300 0.023 0.000 0.946 99 V CB 3.442 35.277 31.823 0.021 0.000 1.003 99 V HN 0.873 8.931 8.190 0.018 0.143 0.459 100 L N 8.310 129.557 121.223 0.041 0.000 2.272 100 L HA 0.424 4.801 4.340 0.062 0.000 0.284 100 L C -1.744 175.162 176.870 0.061 0.000 1.045 100 L CA -0.789 54.086 54.840 0.059 0.000 0.842 100 L CB 0.895 42.997 42.059 0.071 0.000 1.224 100 L HN -0.126 8.127 8.230 0.038 0.000 0.430 101 V N 7.986 127.936 119.914 0.060 0.000 2.304 101 V HA 0.342 4.489 4.120 0.046 0.000 0.278 101 V C -2.253 173.877 176.094 0.061 0.000 1.018 101 V CA -1.232 61.098 62.300 0.050 0.000 0.814 101 V CB 1.226 33.070 31.823 0.035 0.000 1.021 101 V HN 0.265 8.493 8.190 0.063 0.000 0.440 102 S N 7.358 123.094 115.700 0.061 0.000 2.618 102 S HA 0.280 4.835 4.470 0.040 -0.060 0.277 102 S C -1.611 172.980 174.600 -0.014 0.000 1.138 102 S CA -0.896 57.335 58.200 0.052 0.000 0.844 102 S CB 2.960 66.261 63.200 0.169 0.000 1.127 102 S HN -0.175 8.170 8.310 0.058 0.000 0.474 103 L N -0.552 120.609 121.223 -0.103 0.000 1.335 103 L HA 0.040 4.281 4.340 -0.166 0.000 0.033 103 L C -2.297 174.475 176.870 -0.162 0.000 1.674 103 L CA 1.678 56.440 54.840 -0.130 0.000 1.022 103 L CB -0.011 42.012 42.059 -0.060 0.000 1.920 103 L HN 0.562 8.706 8.230 -0.144 0.000 0.404 104 R N -1.275 119.166 120.500 -0.098 0.000 3.610 104 R HA -0.341 3.966 4.340 -0.055 0.000 0.274 104 R C -1.583 174.663 176.300 -0.089 0.000 1.123 104 R CA 1.050 57.101 56.100 -0.082 0.000 0.747 104 R CB -1.645 28.604 30.300 -0.085 0.000 1.149 104 R HN 0.410 8.639 8.270 -0.069 0.000 0.471 105 S N -6.668 108.980 115.700 -0.087 0.000 2.514 105 S HA -0.096 4.338 4.470 -0.060 0.000 0.296 105 S C -2.265 172.283 174.600 -0.088 0.000 0.634 105 S CA 0.086 58.239 58.200 -0.077 0.000 1.427 105 S CB 1.728 64.885 63.200 -0.073 0.000 1.730 105 S HN -0.459 7.773 8.310 -0.081 0.030 0.457 106 D N 3.122 123.480 120.400 -0.071 0.000 2.443 106 D HA 0.220 4.825 4.640 -0.058 0.000 0.221 106 D C -2.022 174.237 176.300 -0.067 0.000 1.097 106 D CA 0.166 54.129 54.000 -0.062 0.000 0.865 106 D CB 0.722 41.492 40.800 -0.050 0.000 1.034 106 D HN 0.334 8.590 8.370 -0.065 0.075 0.511 107 Q N 1.454 121.225 119.800 -0.049 0.000 2.430 107 Q HA 0.133 4.672 4.340 -0.026 -0.215 0.253 107 Q C -1.711 174.328 176.000 0.065 0.000 0.945 107 Q CA -0.363 55.436 55.803 -0.005 0.000 0.964 107 Q CB 3.872 32.615 28.738 0.008 0.000 1.460 107 Q HN -0.259 7.974 8.270 -0.061 0.000 0.428 108 M N 5.074 124.751 119.600 0.128 0.000 2.457 108 M HA 0.414 5.021 4.480 0.213 0.000 0.300 108 M C -1.397 174.929 176.300 0.044 0.000 1.141 108 M CA -1.409 53.964 55.300 0.123 0.000 0.901 108 M CB 4.982 37.635 32.600 0.088 0.000 1.687 108 M HN 0.197 8.475 8.290 0.134 0.093 0.449 109 T N 0.147 114.710 114.554 0.014 0.000 2.936 109 T HA 0.405 4.780 4.350 -0.055 -0.059 0.282 109 T C 0.384 174.938 174.700 -0.242 0.000 1.003 109 T CA -2.306 59.750 62.100 -0.072 0.000 1.005 109 T CB 1.484 70.354 68.868 0.004 0.000 1.097 109 T HN 0.117 8.423 8.240 0.110 0.000 0.532 110 L N 1.607 122.704 121.223 -0.211 0.000 1.971 110 L HA -0.421 3.715 4.340 -0.340 0.000 0.215 110 L C 2.373 179.149 176.870 -0.157 0.000 1.072 110 L CA 4.696 59.408 54.840 -0.213 0.000 0.758 110 L CB -0.184 41.812 42.059 -0.106 0.000 0.889 110 L HN -0.005 8.042 8.230 -0.143 0.097 0.433 111 Q N -0.580 119.156 119.800 -0.107 0.000 2.029 111 Q HA -0.503 3.797 4.340 -0.068 0.000 0.209 111 Q C 1.893 177.832 176.000 -0.101 0.000 0.999 111 Q CA 3.204 58.954 55.803 -0.087 0.000 0.857 111 Q CB -0.982 27.707 28.738 -0.081 0.000 0.926 111 Q HN -0.435 7.779 8.270 -0.093 0.000 0.415 112 D N -0.003 120.310 120.400 -0.145 0.000 2.116 112 D HA -0.422 4.078 4.640 -0.233 0.000 0.193 112 D C 2.039 178.301 176.300 -0.065 0.000 0.998 112 D CA 3.577 57.471 54.000 -0.177 0.000 0.836 112 D CB -0.266 40.403 40.800 -0.218 0.000 0.951 112 D HN -0.508 7.778 8.370 -0.140 0.000 0.449 113 A N 0.143 122.898 122.820 -0.109 0.000 1.859 113 A HA -0.446 3.915 4.320 0.068 0.000 0.218 113 A C 1.665 179.321 177.584 0.120 0.000 1.209 113 A CA 3.545 55.557 52.037 -0.041 0.000 0.639 113 A CB -0.677 18.064 19.000 -0.433 0.000 0.835 113 A HN 0.434 8.360 8.150 -0.196 0.106 0.450 114 K N -2.236 118.218 120.400 0.090 0.000 2.283 114 K HA -0.256 4.292 4.320 0.381 0.000 0.202 114 K C 2.209 178.946 176.600 0.228 0.000 1.048 114 K CA 2.659 59.076 56.287 0.216 0.000 0.948 114 K CB -0.479 32.041 32.500 0.033 0.000 0.742 114 K HN -0.285 7.963 8.250 -0.003 0.000 0.458 115 V N 1.798 121.763 119.914 0.085 0.000 2.223 115 V HA -0.415 3.738 4.120 0.055 0.000 0.244 115 V C 2.048 178.170 176.094 0.047 0.000 1.045 115 V CA 4.558 66.882 62.300 0.041 0.000 1.000 115 V CB -0.389 31.407 31.823 -0.044 0.000 0.635 115 V HN 0.223 8.270 8.190 0.033 0.162 0.445 116 L N -1.791 119.467 121.223 0.058 0.000 2.083 116 L HA -0.254 4.112 4.340 0.044 0.000 0.209 116 L C 3.013 179.923 176.870 0.065 0.000 1.083 116 L CA 2.355 57.236 54.840 0.068 0.000 0.752 116 L CB -1.909 40.213 42.059 0.106 0.000 0.899 116 L HN -0.199 8.064 8.230 0.055 0.000 0.433 117 L N -3.083 118.208 121.223 0.113 0.000 2.376 117 L HA -0.347 4.029 4.340 0.060 0.000 0.219 117 L C 2.237 179.007 176.870 -0.168 0.000 1.133 117 L CA 3.535 58.424 54.840 0.083 0.000 0.816 117 L CB -0.504 41.696 42.059 0.236 0.000 0.933 117 L HN 0.336 8.653 8.230 0.158 0.007 0.449 118 E N 1.052 121.150 120.200 -0.170 0.000 2.028 118 E HA -0.375 3.176 4.350 -1.331 0.000 0.190 118 E C 1.826 178.276 176.600 -0.250 0.000 0.984 118 E CA 3.446 59.574 56.400 -0.454 0.000 0.800 118 E CB -0.234 29.454 29.700 -0.021 0.000 0.758 118 E HN 0.115 8.242 8.360 0.032 0.252 0.448 119 A N -2.118 120.641 122.820 -0.101 0.000 2.066 119 A HA -0.166 4.101 4.320 -0.068 0.012 0.218 119 A C 1.662 179.212 177.584 -0.057 0.000 1.157 119 A CA 2.592 54.591 52.037 -0.062 0.000 0.670 119 A CB -0.547 18.439 19.000 -0.022 0.000 0.804 119 A HN -0.177 7.913 8.150 -0.056 0.026 0.453 120 A N 0.257 123.044 122.820 -0.056 0.000 1.855 120 A HA -0.236 4.079 4.320 -0.008 0.000 0.213 120 A C 1.355 178.897 177.584 -0.070 0.000 1.195 120 A CA 2.892 54.911 52.037 -0.030 0.000 0.610 120 A CB -0.251 18.762 19.000 0.021 0.000 0.837 120 A HN 0.411 8.358 8.150 -0.062 0.166 0.444 121 L N -2.092 119.054 121.223 -0.129 0.000 2.191 121 L HA -0.299 3.979 4.340 -0.102 0.000 0.212 121 L C 1.477 178.280 176.870 -0.112 0.000 1.103 121 L CA 3.212 57.972 54.840 -0.134 0.000 0.769 121 L CB -0.374 41.575 42.059 -0.182 0.000 0.908 121 L HN 0.238 8.232 8.230 -0.169 0.135 0.438 122 R N -1.708 118.717 120.500 -0.124 0.000 2.073 122 R HA -0.334 3.961 4.340 -0.076 0.000 0.229 122 R C 2.118 178.387 176.300 -0.050 0.000 1.120 122 R CA 3.294 59.344 56.100 -0.083 0.000 0.967 122 R CB -0.317 29.933 30.300 -0.084 0.000 0.862 122 R HN -0.208 7.862 8.270 -0.156 0.107 0.436 123 Q N -2.333 117.442 119.800 -0.043 0.000 2.373 123 Q HA -0.022 4.305 4.340 -0.022 0.000 0.210 123 Q C 1.374 177.362 176.000 -0.020 0.000 0.913 123 Q CA 2.052 57.841 55.803 -0.025 0.000 0.911 123 Q CB 1.026 29.755 28.738 -0.015 0.000 1.040 123 Q HN -0.289 7.845 8.270 -0.050 0.105 0.521 124 E N -0.394 119.790 120.200 -0.027 0.000 2.035 124 E HA -0.086 4.257 4.350 -0.010 0.000 0.191 124 E C 1.551 178.135 176.600 -0.028 0.000 0.966 124 E CA 1.876 58.263 56.400 -0.022 0.000 0.823 124 E CB 0.458 30.144 29.700 -0.024 0.000 0.791 124 E HN 0.440 8.662 8.360 -0.037 0.116 0.459 125 S N -1.255 114.419 115.700 -0.042 0.000 2.452 125 S HA 0.019 4.471 4.470 -0.030 0.000 0.225 125 S C 1.018 175.598 174.600 -0.032 0.000 1.057 125 S CA 0.818 58.995 58.200 -0.039 0.000 0.949 125 S CB 2.886 66.056 63.200 -0.051 0.000 0.836 125 S HN -0.502 7.775 8.310 -0.054 0.000 0.518 126 G N 2.482 111.259 108.800 -0.039 0.000 2.956 126 G HA2 -0.305 3.666 3.960 -0.038 0.000 0.263 126 G HA3 -0.305 3.640 3.960 -0.024 0.000 0.263 126 G C -1.118 173.766 174.900 -0.026 0.000 1.090 126 G CA -0.142 44.938 45.100 -0.032 0.000 1.185 126 G HN 0.097 8.246 8.290 -0.051 0.111 0.566 127 A N -1.912 120.890 122.820 -0.031 0.000 2.798 127 A HA -0.545 3.771 4.320 -0.006 0.000 0.282 127 A C -1.200 176.379 177.584 -0.009 0.000 1.464 127 A CA 1.672 53.703 52.037 -0.011 0.000 0.844 127 A CB -0.816 18.183 19.000 -0.001 0.000 1.006 127 A HN -0.181 7.940 8.150 -0.049 0.000 0.577 128 R N -2.382 118.106 120.500 -0.019 0.000 2.024 128 R HA -0.082 4.251 4.340 -0.011 0.000 0.216 128 R C 1.433 177.721 176.300 -0.019 0.000 1.259 128 R CA 1.467 57.557 56.100 -0.018 0.000 1.001 128 R CB 1.240 31.527 30.300 -0.022 0.000 0.881 128 R HN -0.232 8.053 8.270 -0.029 -0.033 0.459 129 G N -0.086 108.693 108.800 -0.035 0.000 2.143 129 G HA2 -0.275 3.644 3.960 -0.067 0.000 0.248 129 G HA3 -0.275 3.669 3.960 -0.026 0.000 0.248 129 G C -0.721 174.158 174.900 -0.036 0.000 0.991 129 G CA 0.210 45.285 45.100 -0.041 0.000 0.689 129 G HN -0.241 8.022 8.290 -0.044 0.000 0.522 130 S N 0.000 115.682 115.700 -0.031 0.000 2.498 130 S HA 0.000 4.459 4.470 -0.018 0.000 0.327 130 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 130 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 130 S HN 0.000 8.253 8.310 -0.031 0.039 0.517