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 1ees_9_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALE 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 4.459 4.480 -0.035 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 Q N -3.053 116.709 119.800 -0.064 0.000 2.427 2 Q HA 0.025 4.280 4.340 -0.142 0.000 0.249 2 Q C -0.780 175.165 176.000 -0.093 0.000 0.783 2 Q CA 0.113 55.856 55.803 -0.101 0.000 0.978 2 Q CB 2.097 30.788 28.738 -0.078 0.000 1.273 2 Q HN -0.306 7.937 8.270 -0.045 0.000 0.524 3 T N 2.928 117.451 114.554 -0.052 0.000 2.576 3 T HA -0.234 4.210 4.350 -0.025 -0.109 0.251 3 T C -0.672 173.992 174.700 -0.060 0.000 1.050 3 T CA 1.734 63.812 62.100 -0.037 0.000 1.286 3 T CB -0.667 68.193 68.868 -0.013 0.000 1.028 3 T HN -0.354 7.863 8.240 -0.038 0.000 0.509 4 I N 7.412 127.938 120.570 -0.074 0.000 2.460 4 I HA 0.293 4.386 4.170 -0.128 0.000 0.298 4 I C -2.533 173.541 176.117 -0.072 0.000 0.989 4 I CA -1.697 59.539 61.300 -0.107 0.000 1.173 4 I CB 2.966 40.876 38.000 -0.150 0.000 1.338 4 I HN 1.200 9.236 8.210 -0.060 0.138 0.456 5 K N 7.180 127.517 120.400 -0.105 0.000 2.221 5 K HA 0.313 4.646 4.320 0.022 0.000 0.258 5 K C -1.329 175.201 176.600 -0.117 0.000 0.944 5 K CA -1.807 54.448 56.287 -0.053 0.000 0.823 5 K CB 2.074 34.551 32.500 -0.039 0.000 1.113 5 K HN 0.290 8.442 8.250 -0.164 0.000 0.431 6 C N 4.723 123.988 119.300 -0.057 0.000 2.291 6 C HA 0.184 4.546 4.460 -0.163 0.000 0.322 6 C C -2.324 172.564 174.990 -0.169 0.000 1.205 6 C CA -1.317 57.635 59.018 -0.109 0.000 1.495 6 C CB 0.414 28.135 27.740 -0.033 0.000 2.127 6 C HN -0.053 8.193 8.230 0.028 0.000 0.452 7 V N 6.405 126.219 119.914 -0.166 0.000 3.130 7 V HA 0.299 4.179 4.120 -0.399 0.000 0.310 7 V C -1.884 174.155 176.094 -0.091 0.000 1.158 7 V CA -2.106 60.068 62.300 -0.211 0.000 1.029 7 V CB 4.723 36.482 31.823 -0.108 0.000 1.057 7 V HN -0.436 7.664 8.190 -0.150 0.000 0.436 8 V N 1.333 121.187 119.914 -0.100 0.000 2.607 8 V HA -0.017 4.075 4.120 -0.046 0.000 0.289 8 V C -0.975 175.113 176.094 -0.010 0.000 1.053 8 V CA 0.070 62.340 62.300 -0.049 0.000 0.996 8 V CB -0.248 31.539 31.823 -0.060 0.000 0.995 8 V HN 0.429 8.518 8.190 -0.167 0.000 0.476 9 V N 3.485 123.380 119.914 -0.031 0.000 3.167 9 V HA 0.187 4.292 4.120 -0.025 0.000 0.310 9 V C -0.873 175.152 176.094 -0.115 0.000 1.207 9 V CA -1.843 60.420 62.300 -0.061 0.000 1.059 9 V CB 3.190 34.954 31.823 -0.100 0.000 1.079 9 V HN -0.320 7.840 8.190 -0.050 0.000 0.446 10 G N 0.154 108.870 108.800 -0.141 0.000 2.801 10 G HA2 -0.168 3.605 3.960 -0.312 0.000 0.648 10 G HA3 -0.168 3.673 3.960 -0.197 0.000 0.648 10 G C -0.828 174.046 174.900 -0.044 0.000 1.415 10 G CA -0.561 44.428 45.100 -0.185 0.000 0.887 10 G HN -0.157 8.059 8.290 -0.123 0.000 0.627 11 D N 1.274 121.677 120.400 0.005 0.000 2.228 11 D HA -0.188 4.551 4.640 0.165 0.000 0.203 11 D C 0.082 176.416 176.300 0.056 0.000 0.988 11 D CA 1.452 55.515 54.000 0.104 0.000 0.864 11 D CB 0.390 41.281 40.800 0.151 0.000 0.928 11 D HN 0.284 8.624 8.370 -0.049 0.000 0.469 12 G N -3.478 105.329 108.800 0.012 0.000 2.350 12 G HA2 -0.014 3.947 3.960 0.002 0.000 0.274 12 G HA3 -0.014 3.963 3.960 0.028 0.000 0.274 12 G C -1.828 173.073 174.900 0.001 0.000 1.621 12 G CA -0.138 44.969 45.100 0.011 0.000 0.935 12 G HN -0.241 8.001 8.290 -0.026 0.033 0.694 13 A N 4.856 127.669 122.820 -0.011 0.000 3.538 13 A HA 0.120 4.440 4.320 0.001 0.000 0.158 13 A C -1.935 175.636 177.584 -0.021 0.000 1.305 13 A CA 0.106 52.136 52.037 -0.012 0.000 1.242 13 A CB 0.446 19.435 19.000 -0.018 0.000 0.928 13 A HN 0.163 8.305 8.150 -0.013 0.000 0.434 14 V N 1.869 121.761 119.914 -0.038 0.000 2.559 14 V HA 0.113 4.220 4.120 -0.022 0.000 0.289 14 V C -0.797 175.274 176.094 -0.039 0.000 1.036 14 V CA -0.309 61.971 62.300 -0.034 0.000 0.887 14 V CB 2.297 34.096 31.823 -0.040 0.000 1.022 14 V HN -0.213 7.944 8.190 -0.056 0.000 0.442 15 G N 5.518 114.305 108.800 -0.023 0.000 2.494 15 G HA2 -0.025 3.911 3.960 -0.039 0.000 0.297 15 G HA3 -0.025 3.927 3.960 -0.013 0.000 0.297 15 G C 0.123 175.014 174.900 -0.015 0.000 0.971 15 G CA -0.160 44.926 45.100 -0.023 0.000 1.378 15 G HN 0.328 8.612 8.290 -0.011 0.000 0.456 16 K N 6.997 127.383 120.400 -0.024 0.000 2.113 16 K HA -0.309 4.009 4.320 -0.003 0.000 0.208 16 K C 1.123 177.726 176.600 0.006 0.000 1.047 16 K CA 3.036 59.318 56.287 -0.007 0.000 0.928 16 K CB -0.253 32.241 32.500 -0.011 0.000 0.716 16 K HN -0.161 8.064 8.250 -0.041 0.000 0.446 17 T N -0.923 113.629 114.554 -0.003 0.000 2.737 17 T HA -0.339 4.015 4.350 0.005 0.000 0.269 17 T C 1.376 176.079 174.700 0.005 0.000 1.040 17 T CA 5.140 67.239 62.100 -0.003 0.000 1.142 17 T CB -0.438 68.416 68.868 -0.023 0.000 0.861 17 T HN 0.253 8.471 8.240 -0.014 0.014 0.456 18 C N -2.654 116.654 119.300 0.013 0.000 2.514 18 C HA -0.054 4.423 4.460 0.028 0.000 0.271 18 C C 1.306 176.327 174.990 0.052 0.000 1.399 18 C CA 0.956 59.993 59.018 0.031 0.000 1.765 18 C CB -0.129 27.632 27.740 0.034 0.000 1.893 18 C HN -0.251 7.876 8.230 0.007 0.107 0.531 19 L N 1.486 122.737 121.223 0.047 0.000 2.209 19 L HA -0.072 4.327 4.340 0.098 0.000 0.207 19 L C 2.052 178.973 176.870 0.084 0.000 1.094 19 L CA 1.793 56.676 54.840 0.071 0.000 0.790 19 L CB -0.592 41.491 42.059 0.040 0.000 0.932 19 L HN -0.241 7.821 8.230 0.030 0.186 0.447 20 L N 0.135 121.386 121.223 0.048 0.000 2.081 20 L HA -0.341 4.021 4.340 0.036 0.000 0.212 20 L C 1.077 177.963 176.870 0.027 0.000 1.080 20 L CA 3.495 58.350 54.840 0.026 0.000 0.754 20 L CB 0.182 42.231 42.059 -0.015 0.000 0.893 20 L HN 0.364 8.614 8.230 0.033 0.000 0.433 21 I N -3.351 117.239 120.570 0.033 0.000 2.628 21 I HA -0.179 3.996 4.170 0.009 0.000 0.255 21 I C 1.469 177.630 176.117 0.073 0.000 1.119 21 I CA 1.267 62.587 61.300 0.034 0.000 1.448 21 I CB -0.515 37.504 38.000 0.031 0.000 1.133 21 I HN -0.557 7.663 8.210 0.034 0.011 0.438 22 S N 2.133 117.896 115.700 0.106 0.000 2.380 22 S HA -0.402 4.233 4.470 0.126 -0.089 0.229 22 S C 1.278 176.016 174.600 0.229 0.000 1.043 22 S CA 3.922 62.215 58.200 0.156 0.000 1.038 22 S CB 0.097 63.404 63.200 0.178 0.000 0.872 22 S HN 0.003 8.257 8.310 0.091 0.110 0.456 23 Y N -3.208 117.124 120.300 0.054 0.000 2.458 23 Y HA 0.193 4.783 4.550 0.067 0.000 0.256 23 Y C -0.065 175.849 175.900 0.024 0.000 1.159 23 Y CA -0.277 57.853 58.100 0.049 0.000 1.261 23 Y CB 0.923 39.409 38.460 0.043 0.000 1.119 23 Y HN -0.275 8.156 8.280 0.261 0.005 0.524 24 T N 0.427 114.953 114.554 -0.046 0.000 2.990 24 T HA -0.006 4.209 4.350 -0.226 0.000 0.250 24 T C 0.715 175.363 174.700 -0.088 0.000 1.041 24 T CA 1.815 63.841 62.100 -0.124 0.000 1.010 24 T CB 1.279 70.109 68.868 -0.065 0.000 1.003 24 T HN -0.091 7.951 8.240 0.047 0.226 0.499 25 T N -0.515 114.019 114.554 -0.032 0.000 3.056 25 T HA 0.129 4.471 4.350 -0.014 0.000 0.243 25 T C -0.114 174.587 174.700 0.002 0.000 0.995 25 T CA 1.723 63.821 62.100 -0.003 0.000 1.091 25 T CB 1.073 69.965 68.868 0.038 0.000 0.990 25 T HN 0.278 8.427 8.240 -0.001 0.090 0.464 26 N N -1.806 116.903 118.700 0.016 0.000 2.228 26 N HA -0.018 4.723 4.740 0.001 0.000 0.299 26 N C -1.840 173.692 175.510 0.037 0.000 0.829 26 N CA 0.902 53.963 53.050 0.018 0.000 0.772 26 N CB 1.887 40.396 38.487 0.036 0.000 2.041 26 N HN -0.046 8.353 8.380 0.032 0.000 1.019 27 K N -4.073 116.366 120.400 0.065 0.000 5.036 27 K HA -0.014 4.461 4.320 0.263 0.003 0.687 27 K C -2.022 174.650 176.600 0.119 0.000 0.896 27 K CA 0.017 56.368 56.287 0.106 0.000 0.974 27 K CB -0.186 32.269 32.500 -0.075 0.000 1.891 27 K HN -0.801 7.487 8.250 0.064 0.000 0.909 28 F N -5.282 114.715 119.950 0.078 0.000 2.727 28 F HA 0.783 5.342 4.527 0.053 0.000 0.302 28 F C -1.099 174.724 175.800 0.038 0.000 1.107 28 F CA -0.374 57.657 58.000 0.051 0.000 1.277 28 F CB -1.127 37.894 39.000 0.035 0.000 1.079 28 F HN 0.050 8.151 8.300 -0.331 0.000 0.594 29 P HA 0.092 4.390 4.420 -0.204 0.000 0.215 29 P C -1.085 176.125 177.300 -0.149 0.000 1.173 29 P CA 0.543 63.364 63.100 -0.465 0.000 0.663 29 P CB 0.255 31.587 31.700 -0.614 0.000 0.720 30 S N -2.440 113.183 115.700 -0.129 0.000 2.835 30 S HA 0.129 4.574 4.470 -0.042 0.000 0.140 30 S C -1.618 172.955 174.600 -0.045 0.000 1.131 30 S CA -0.349 57.818 58.200 -0.056 0.000 1.110 30 S CB 1.058 64.242 63.200 -0.027 0.000 1.683 30 S HN -0.168 8.043 8.310 -0.165 0.000 0.473 31 E N 0.529 120.705 120.200 -0.039 0.000 2.493 31 E HA 0.194 4.548 4.350 0.006 0.000 0.243 31 E C -1.971 174.655 176.600 0.043 0.000 0.875 31 E CA -1.916 54.487 56.400 0.006 0.000 0.872 31 E CB 0.966 30.668 29.700 0.004 0.000 1.476 31 E HN -0.245 8.085 8.360 -0.050 0.000 0.394 32 Y N 0.844 121.124 120.300 -0.033 0.000 2.857 32 Y HA -0.179 4.357 4.550 -0.024 0.000 0.373 32 Y C -1.240 174.648 175.900 -0.020 0.000 1.346 32 Y CA 1.539 59.624 58.100 -0.026 0.000 1.736 32 Y CB -0.276 38.168 38.460 -0.026 0.000 1.236 32 Y HN -0.040 8.365 8.280 0.209 0.000 0.507 33 V N 7.250 127.151 119.914 -0.022 0.000 3.087 33 V HA 0.426 4.612 4.120 0.110 0.000 0.306 33 V C -2.125 173.964 176.094 -0.009 0.000 1.187 33 V CA -3.812 58.511 62.300 0.037 0.000 0.999 33 V CB 3.561 35.399 31.823 0.024 0.000 1.049 33 V HN -0.303 7.781 8.190 -0.177 0.000 0.431 34 P HA 0.129 4.596 4.420 0.079 0.000 0.274 34 P C -1.537 175.833 177.300 0.117 0.000 1.264 34 P CA 0.387 63.557 63.100 0.118 0.000 0.795 34 P CB 0.616 32.436 31.700 0.200 0.000 1.064 35 T N -6.766 107.927 114.554 0.233 0.000 2.816 35 T HA 0.187 4.597 4.350 0.101 0.000 0.299 35 T C 0.416 175.246 174.700 0.217 0.000 1.230 35 T CA -1.468 60.734 62.100 0.170 0.000 1.007 35 T CB 2.582 71.510 68.868 0.100 0.000 1.289 35 T HN -0.449 8.061 8.240 0.451 0.000 0.508 36 V N -1.290 118.695 119.914 0.119 0.000 2.402 36 V HA -0.422 3.721 4.120 0.038 0.000 0.264 36 V C -0.781 175.359 176.094 0.077 0.000 1.112 36 V CA 2.624 64.968 62.300 0.074 0.000 1.110 36 V CB -0.238 31.620 31.823 0.060 0.000 0.689 36 V HN 0.142 8.385 8.190 0.089 0.000 0.459 37 F N -1.112 118.838 119.950 0.000 0.000 2.292 37 F HA -0.341 4.181 4.527 -0.009 0.000 0.369 37 F C -1.237 174.579 175.800 0.025 0.000 1.045 37 F CA 0.689 58.690 58.000 0.000 0.000 0.937 37 F CB -0.961 38.033 39.000 -0.010 0.000 0.852 37 F HN -0.742 7.706 8.300 0.324 0.046 0.521 38 D N 7.235 127.404 120.400 -0.386 0.000 2.349 38 D HA 0.014 4.235 4.640 -0.699 0.000 0.224 38 D C -2.317 173.897 176.300 -0.144 0.000 1.323 38 D CA 0.703 54.448 54.000 -0.424 0.000 0.917 38 D CB 2.377 43.000 40.800 -0.296 0.000 1.524 38 D HN 0.050 8.332 8.370 -0.146 0.000 0.505 39 N N 1.905 120.488 118.700 -0.195 0.000 2.242 39 N HA 0.826 5.845 4.740 0.101 -0.219 0.292 39 N C -1.713 173.643 175.510 -0.256 0.000 1.125 39 N CA -0.424 52.583 53.050 -0.070 0.000 0.783 39 N CB 2.814 41.269 38.487 -0.053 0.000 1.558 39 N HN -0.131 8.020 8.380 -0.381 0.000 0.472 40 Y N 1.297 121.628 120.300 0.052 0.000 2.262 40 Y HA -0.031 4.534 4.550 0.025 0.000 0.317 40 Y C -1.545 174.387 175.900 0.054 0.000 1.230 40 Y CA 0.291 58.411 58.100 0.035 0.000 1.166 40 Y CB 3.200 41.668 38.460 0.015 0.000 1.254 40 Y HN -0.009 8.378 8.280 0.179 0.000 0.405 41 A N 6.419 129.356 122.820 0.195 0.000 2.316 41 A HA 0.406 4.806 4.320 0.135 0.000 0.311 41 A C -1.349 176.322 177.584 0.144 0.000 1.339 41 A CA -0.680 51.439 52.037 0.137 0.000 0.960 41 A CB 0.428 19.472 19.000 0.074 0.000 1.152 41 A HN 0.215 8.454 8.150 0.149 0.000 0.547 42 V N 3.164 123.158 119.914 0.133 0.000 3.167 42 V HA 0.316 4.493 4.120 0.095 0.000 0.310 42 V C -1.184 174.970 176.094 0.100 0.000 1.207 42 V CA -1.442 60.921 62.300 0.105 0.000 1.059 42 V CB 3.616 35.492 31.823 0.089 0.000 1.079 42 V HN -0.160 8.113 8.190 0.138 0.000 0.446 43 T N 1.540 116.143 114.554 0.081 0.000 2.787 43 T HA 0.315 4.878 4.350 0.159 -0.118 0.297 43 T C -1.990 172.741 174.700 0.052 0.000 1.221 43 T CA -1.154 61.007 62.100 0.102 0.000 1.006 43 T CB 2.418 71.334 68.868 0.079 0.000 1.328 43 T HN -0.024 8.250 8.240 0.058 0.000 0.509 44 V N 2.311 122.260 119.914 0.059 0.000 2.823 44 V HA 0.114 4.200 4.120 -0.055 0.000 0.296 44 V C -2.122 173.958 176.094 -0.023 0.000 1.250 44 V CA -1.133 61.127 62.300 -0.067 0.000 0.939 44 V CB 3.218 34.865 31.823 -0.293 0.000 1.062 44 V HN 0.288 8.661 8.190 0.154 -0.090 0.433 45 M N 8.089 127.676 119.600 -0.022 0.000 2.180 45 M HA 0.254 4.849 4.480 0.052 -0.084 0.350 45 M C -1.065 175.223 176.300 -0.021 0.000 1.125 45 M CA -0.882 54.424 55.300 0.009 0.000 1.031 45 M CB 1.068 33.676 32.600 0.014 0.000 1.623 45 M HN 0.134 8.403 8.290 -0.034 0.000 0.451 46 I N 2.331 122.901 120.570 -0.000 0.000 2.521 46 I HA 0.069 4.221 4.170 -0.029 0.000 0.277 46 I C 0.313 176.436 176.117 0.011 0.000 1.054 46 I CA -0.240 61.051 61.300 -0.014 0.000 1.117 46 I CB 0.781 38.760 38.000 -0.035 0.000 1.217 46 I HN 0.064 8.252 8.210 0.039 0.045 0.469 47 G N 7.337 116.140 108.800 0.005 0.000 2.233 47 G HA2 -0.353 3.611 3.960 0.006 0.000 0.270 47 G HA3 -0.353 3.614 3.960 0.011 0.000 0.270 47 G C 0.541 175.452 174.900 0.018 0.000 1.011 47 G CA -0.159 44.948 45.100 0.010 0.000 0.762 47 G HN 0.679 8.968 8.290 -0.002 0.000 0.511 48 G N -3.785 105.029 108.800 0.023 0.000 2.145 48 G HA2 -0.223 3.753 3.960 0.026 0.000 0.176 48 G HA3 -0.223 3.752 3.960 0.024 0.000 0.176 48 G C -0.764 174.163 174.900 0.045 0.000 1.013 48 G CA 0.351 45.468 45.100 0.028 0.000 0.689 48 G HN 0.020 8.285 8.290 0.020 0.038 0.506 49 E N -0.194 120.044 120.200 0.063 0.000 2.331 49 E HA 0.413 4.819 4.350 0.093 0.000 0.243 49 E C -2.187 174.518 176.600 0.175 0.000 0.925 49 E CA -2.931 53.537 56.400 0.113 0.000 0.760 49 E CB 1.337 31.119 29.700 0.136 0.000 1.254 49 E HN -0.150 8.240 8.360 0.051 0.000 0.419 50 P HA 0.327 4.944 4.420 0.155 -0.104 0.286 50 P C -1.658 175.811 177.300 0.281 0.000 1.269 50 P CA -1.126 62.078 63.100 0.173 0.000 0.787 50 P CB 0.504 32.258 31.700 0.091 0.000 0.920 51 Y N 2.994 123.295 120.300 0.002 0.000 2.335 51 Y HA 0.014 4.561 4.550 -0.006 0.000 0.323 51 Y C -0.341 175.562 175.900 0.004 0.000 1.224 51 Y CA -0.440 57.660 58.100 0.000 0.000 1.241 51 Y CB 2.782 41.245 38.460 0.005 0.000 1.235 51 Y HN 0.200 8.680 8.280 0.356 0.014 0.492 52 T N 3.116 117.695 114.554 0.042 0.000 3.008 52 T HA 0.232 4.621 4.350 0.065 0.000 0.328 52 T C -1.913 172.798 174.700 0.017 0.000 1.020 52 T CA -0.078 62.042 62.100 0.033 0.000 1.043 52 T CB 0.035 68.899 68.868 -0.005 0.000 1.010 52 T HN 0.514 8.702 8.240 -0.088 0.000 0.466 53 L N 2.480 123.738 121.223 0.058 0.000 2.510 53 L HA 1.217 5.846 4.340 0.021 -0.276 0.252 53 L C -1.821 175.101 176.870 0.087 0.000 1.091 53 L CA -1.852 53.020 54.840 0.053 0.000 0.888 53 L CB 3.716 45.813 42.059 0.064 0.000 1.507 53 L HN -0.402 7.880 8.230 0.085 0.000 0.407 54 G N -2.190 106.674 108.800 0.106 0.000 2.455 54 G HA2 0.389 4.605 3.960 0.157 0.000 0.298 54 G HA3 0.389 4.429 3.960 0.133 0.000 0.298 54 G C -2.732 172.311 174.900 0.238 0.000 1.349 54 G CA 0.950 46.143 45.100 0.154 0.000 1.220 54 G HN -0.483 7.860 8.290 0.088 0.000 0.598 55 L N 0.941 122.327 121.223 0.273 0.000 2.333 55 L HA 1.020 5.621 4.340 0.232 -0.122 0.263 55 L C -2.589 174.520 176.870 0.398 0.000 1.014 55 L CA -1.783 53.216 54.840 0.265 0.000 0.820 55 L CB 4.053 46.187 42.059 0.124 0.000 1.352 55 L HN -0.583 7.792 8.230 0.242 0.000 0.421 56 F N -5.619 114.341 119.950 0.016 0.000 2.652 56 F HA 0.773 5.552 4.527 -0.038 -0.275 0.320 56 F C -1.659 174.138 175.800 -0.005 0.000 1.115 56 F CA -1.073 56.919 58.000 -0.014 0.000 1.053 56 F CB 2.150 41.138 39.000 -0.019 0.000 1.297 56 F HN -0.378 7.601 8.300 -0.535 0.000 0.471 57 D N 3.824 124.209 120.400 -0.025 0.000 2.433 57 D HA 0.146 4.696 4.640 -0.151 0.000 0.255 57 D C 0.684 177.002 176.300 0.031 0.000 1.226 57 D CA -0.145 53.817 54.000 -0.064 0.000 1.015 57 D CB 0.815 41.593 40.800 -0.037 0.000 1.091 57 D HN -0.175 8.208 8.370 0.022 0.000 0.527 58 T N 0.171 114.737 114.554 0.019 0.000 2.779 58 T HA -0.265 4.134 4.350 0.081 0.000 0.348 58 T C -1.145 173.597 174.700 0.071 0.000 1.090 58 T CA 1.914 64.049 62.100 0.058 0.000 1.111 58 T CB 0.333 69.222 68.868 0.036 0.000 1.026 58 T HN 0.063 8.297 8.240 -0.010 0.000 0.547 59 A N 1.807 124.660 122.820 0.054 0.000 3.453 59 A HA 0.275 4.586 4.320 -0.014 0.000 0.262 59 A C 0.114 177.637 177.584 -0.101 0.000 1.026 59 A CA -0.255 51.776 52.037 -0.009 0.000 0.938 59 A CB 0.917 19.929 19.000 0.021 0.000 1.246 59 A HN 0.272 8.459 8.150 0.062 0.000 0.546 60 G N -1.413 107.336 108.800 -0.085 0.000 2.448 60 G HA2 -0.227 3.703 3.960 -0.051 0.000 0.219 60 G HA3 -0.227 3.704 3.960 -0.050 0.000 0.219 60 G C 1.019 175.700 174.900 -0.365 0.000 1.127 60 G CA 2.021 47.052 45.100 -0.114 0.000 0.766 60 G HN 0.348 8.615 8.290 -0.038 0.000 0.552 61 Q N -1.429 118.141 119.800 -0.383 0.000 2.369 61 Q HA 0.098 3.961 4.340 -0.794 0.000 0.254 61 Q C 1.347 177.004 176.000 -0.572 0.000 0.858 61 Q CA 0.618 56.097 55.803 -0.541 0.000 0.961 61 Q CB -0.110 28.506 28.738 -0.203 0.000 1.119 61 Q HN -0.271 7.835 8.270 -0.230 0.026 0.538 62 E N -0.868 119.132 120.200 -0.332 0.000 2.031 62 E HA -0.212 4.059 4.350 -0.130 0.000 0.193 62 E C 0.494 176.974 176.600 -0.199 0.000 0.994 62 E CA 2.105 58.391 56.400 -0.190 0.000 0.800 62 E CB -0.102 29.546 29.700 -0.087 0.000 0.752 62 E HN -0.067 8.145 8.360 -0.247 0.000 0.447 63 D N -5.815 114.444 120.400 -0.235 0.000 2.497 63 D HA 0.061 4.804 4.640 0.171 0.000 0.256 63 D C -1.200 175.219 176.300 0.198 0.000 1.273 63 D CA 0.486 54.499 54.000 0.023 0.000 0.812 63 D CB 2.803 43.622 40.800 0.031 0.000 1.190 63 D HN -0.740 7.469 8.370 -0.268 0.000 0.524 64 Y N -4.383 115.936 120.300 0.033 0.000 3.568 64 Y HA -0.452 4.145 4.550 0.041 -0.022 0.220 64 Y C -0.660 175.268 175.900 0.047 0.000 1.319 64 Y CA 0.288 58.410 58.100 0.037 0.000 1.629 64 Y CB -3.126 35.349 38.460 0.026 0.000 1.515 64 Y HN 0.190 8.139 8.280 -0.550 0.000 0.613 65 D N -0.685 119.788 120.400 0.120 0.000 2.977 65 D HA 0.025 4.745 4.640 0.132 0.000 0.241 65 D C -0.009 176.371 176.300 0.134 0.000 1.206 65 D CA 0.018 54.095 54.000 0.129 0.000 0.902 65 D CB -1.140 39.736 40.800 0.127 0.000 1.131 65 D HN -0.402 7.989 8.370 0.048 0.007 0.447 66 R N -2.452 118.127 120.500 0.132 0.000 2.161 66 R HA -0.051 4.351 4.340 0.104 0.000 0.213 66 R C 0.764 177.137 176.300 0.122 0.000 1.055 66 R CA 2.166 58.335 56.100 0.116 0.000 0.996 66 R CB 0.530 30.896 30.300 0.112 0.000 0.901 66 R HN -0.181 8.077 8.270 0.152 0.103 0.456 67 L N -5.679 115.624 121.223 0.134 0.000 2.731 67 L HA 0.134 4.562 4.340 0.147 0.000 0.240 67 L C 0.338 177.330 176.870 0.204 0.000 1.120 67 L CA 0.540 55.472 54.840 0.154 0.000 0.913 67 L CB 0.529 42.668 42.059 0.133 0.000 1.213 67 L HN -0.587 7.698 8.230 0.133 0.024 0.515 68 R N -0.588 120.014 120.500 0.169 0.000 2.074 68 R HA 0.145 4.565 4.340 0.132 0.000 0.218 68 R C -1.177 175.260 176.300 0.227 0.000 1.137 68 R CA 3.664 59.858 56.100 0.157 0.000 0.998 68 R CB -1.456 28.895 30.300 0.086 0.000 0.895 68 R HN 0.058 8.418 8.270 0.150 0.000 0.442 69 P HA 0.086 4.698 4.420 0.320 0.000 0.241 69 P C -0.824 176.608 177.300 0.221 0.000 1.191 69 P CA 1.438 64.709 63.100 0.285 0.000 0.771 69 P CB 0.163 32.090 31.700 0.378 0.000 0.929 70 L N -2.811 118.528 121.223 0.193 0.000 2.814 70 L HA 0.202 4.616 4.340 0.124 0.000 0.183 70 L C 1.376 178.320 176.870 0.123 0.000 1.362 70 L CA -0.174 54.750 54.840 0.141 0.000 1.674 70 L CB -0.955 41.174 42.059 0.116 0.000 1.673 70 L HN -0.600 7.688 8.230 0.204 0.065 0.869 71 S N -1.588 114.165 115.700 0.088 0.000 2.434 71 S HA -0.350 4.079 4.470 -0.069 0.000 0.243 71 S C 0.043 174.547 174.600 -0.160 0.000 1.045 71 S CA 2.852 61.026 58.200 -0.044 0.000 1.019 71 S CB 0.087 63.263 63.200 -0.040 0.000 0.811 71 S HN 0.017 8.389 8.310 0.103 0.000 0.485 72 Y N 0.375 120.710 120.300 0.059 0.000 2.700 72 Y HA 0.226 4.806 4.550 0.050 0.000 0.333 72 Y C -2.338 173.626 175.900 0.106 0.000 1.036 72 Y CA -3.325 54.816 58.100 0.069 0.000 1.287 72 Y CB 0.165 38.669 38.460 0.073 0.000 1.132 72 Y HN -0.761 7.657 8.280 0.304 0.044 0.510 73 P HA 0.039 4.584 4.420 0.209 0.000 0.275 73 P C -1.240 176.247 177.300 0.312 0.000 1.228 73 P CA 0.036 63.252 63.100 0.193 0.000 0.786 73 P CB 0.620 32.341 31.700 0.036 0.000 0.927 74 Q N -1.623 118.429 119.800 0.419 0.000 3.400 74 Q HA 0.147 4.723 4.340 0.393 0.000 0.232 74 Q C -2.079 174.119 176.000 0.331 0.000 0.696 74 Q CA -0.008 56.022 55.803 0.380 0.000 0.961 74 Q CB 1.166 30.076 28.738 0.286 0.000 1.545 74 Q HN 0.029 8.588 8.270 0.481 0.000 0.371 75 T N 0.659 115.421 114.554 0.348 0.000 3.176 75 T HA 0.183 4.486 4.350 -0.077 0.000 0.337 75 T C -0.599 173.515 174.700 -0.976 0.000 0.957 75 T CA -1.168 60.811 62.100 -0.202 0.000 1.092 75 T CB 1.835 70.632 68.868 -0.118 0.000 1.018 75 T HN -0.495 8.227 8.240 0.804 0.000 0.473 76 D N 4.023 124.133 120.400 -0.483 0.000 2.286 76 D HA -0.337 4.108 4.640 -0.325 0.000 0.195 76 D C 0.160 175.981 176.300 -0.798 0.000 1.012 76 D CA 3.082 56.796 54.000 -0.478 0.000 0.901 76 D CB 0.167 40.831 40.800 -0.225 0.000 0.903 76 D HN 0.338 8.581 8.370 -0.212 0.000 0.451 77 V N -6.652 112.747 119.914 -0.859 0.000 2.384 77 V HA 0.238 3.985 4.120 -0.621 0.000 0.287 77 V C -2.250 173.303 176.094 -0.901 0.000 1.020 77 V CA -1.071 60.793 62.300 -0.728 0.000 0.850 77 V CB 1.036 32.608 31.823 -0.419 0.000 0.987 77 V HN -1.004 6.721 8.190 -0.711 0.038 0.436 78 F N 6.429 126.126 119.950 -0.422 0.000 2.508 78 F HA 0.318 4.657 4.527 -0.314 0.000 0.325 78 F C -1.204 174.370 175.800 -0.378 0.000 1.090 78 F CA -2.209 55.511 58.000 -0.467 0.000 0.945 78 F CB 3.722 42.217 39.000 -0.842 0.000 1.156 78 F HN -0.506 7.407 8.300 -0.645 0.000 0.463 79 L N 2.445 123.635 121.223 -0.056 0.000 2.297 79 L HA 0.345 4.650 4.340 -0.058 0.000 0.277 79 L C -1.663 175.149 176.870 -0.097 0.000 1.040 79 L CA -0.809 53.991 54.840 -0.066 0.000 0.867 79 L CB -0.198 41.833 42.059 -0.047 0.000 1.244 79 L HN 0.299 8.527 8.230 -0.003 0.000 0.433 80 V N 4.197 124.041 119.914 -0.116 0.000 2.713 80 V HA 0.049 4.177 4.120 -0.296 -0.185 0.307 80 V C -1.935 173.907 176.094 -0.420 0.000 1.052 80 V CA -1.466 60.649 62.300 -0.308 0.000 0.967 80 V CB 2.935 34.564 31.823 -0.323 0.000 1.019 80 V HN -0.434 7.736 8.190 -0.034 0.000 0.459 81 C N 5.454 124.426 119.300 -0.546 0.000 2.386 81 C HA 0.189 4.500 4.460 -0.248 0.000 0.318 81 C C -1.418 173.299 174.990 -0.455 0.000 1.128 81 C CA -1.937 56.855 59.018 -0.377 0.000 1.438 81 C CB 0.691 28.319 27.740 -0.186 0.000 1.987 81 C HN 0.169 8.069 8.230 -0.550 0.000 0.426 82 F N 8.431 128.394 119.950 0.022 0.000 2.384 82 F HA 0.124 4.675 4.527 0.040 0.000 0.338 82 F C -0.581 175.222 175.800 0.005 0.000 1.103 82 F CA -0.532 57.485 58.000 0.028 0.000 1.157 82 F CB 1.910 40.936 39.000 0.045 0.000 1.167 82 F HN 0.845 8.988 8.300 -0.100 0.098 0.529 83 S N 1.643 117.457 115.700 0.189 0.000 2.525 83 S HA 0.203 4.914 4.470 0.057 -0.207 0.278 83 S C 1.150 175.785 174.600 0.058 0.000 1.234 83 S CA -1.899 56.353 58.200 0.087 0.000 1.058 83 S CB 1.198 64.438 63.200 0.067 0.000 0.983 83 S HN 0.238 8.690 8.310 0.236 0.000 0.495 84 V N 3.322 123.244 119.914 0.012 0.000 3.129 84 V HA 0.029 4.101 4.120 -0.080 0.000 0.259 84 V C -0.096 175.985 176.094 -0.022 0.000 1.116 84 V CA 1.039 63.318 62.300 -0.035 0.000 1.127 84 V CB -0.491 31.308 31.823 -0.040 0.000 0.742 84 V HN 0.733 8.930 8.190 0.013 0.000 0.474 85 V N -7.106 112.808 119.914 -0.000 0.000 3.063 85 V HA 0.238 4.357 4.120 -0.003 0.000 0.379 85 V C -0.943 175.165 176.094 0.022 0.000 1.310 85 V CA -1.433 60.869 62.300 0.004 0.000 1.333 85 V CB -1.418 30.405 31.823 -0.001 0.000 1.331 85 V HN -0.776 7.377 8.190 0.007 0.040 0.527 86 S N 2.393 118.116 115.700 0.039 0.000 2.578 86 S HA 0.448 4.950 4.470 0.053 0.000 0.301 86 S C -1.898 172.745 174.600 0.071 0.000 1.091 86 S CA -3.761 54.478 58.200 0.064 0.000 1.032 86 S CB 1.547 64.808 63.200 0.102 0.000 1.064 86 S HN -0.405 7.833 8.310 0.033 0.092 0.508 87 P HA 0.059 4.510 4.420 0.053 0.000 0.244 87 P C -1.279 176.074 177.300 0.089 0.000 1.723 87 P CA -0.029 63.109 63.100 0.063 0.000 1.110 87 P CB -1.441 30.287 31.700 0.047 0.000 1.972 88 S N -0.055 115.723 115.700 0.130 0.000 3.378 88 S HA -0.449 4.240 4.470 0.364 0.000 0.365 88 S C 0.165 174.859 174.600 0.157 0.000 0.951 88 S CA 1.485 59.810 58.200 0.208 0.000 1.274 88 S CB -0.923 62.351 63.200 0.123 0.000 0.915 88 S HN 0.417 8.758 8.310 0.114 0.038 0.513 89 S N -0.963 114.859 115.700 0.204 0.000 2.441 89 S HA -0.129 4.378 4.470 0.061 0.000 0.224 89 S C 1.587 176.243 174.600 0.093 0.000 1.043 89 S CA 1.718 59.995 58.200 0.128 0.000 0.948 89 S CB 0.650 63.944 63.200 0.156 0.000 0.810 89 S HN -0.027 8.433 8.310 0.249 0.000 0.504 90 F N 1.267 121.195 119.950 -0.037 0.000 2.236 90 F HA -0.336 4.051 4.527 -0.235 0.000 0.302 90 F C 1.655 177.311 175.800 -0.239 0.000 1.073 90 F CA 1.388 59.242 58.000 -0.244 0.000 1.336 90 F CB -1.179 37.587 39.000 -0.390 0.000 1.040 90 F HN 0.109 8.731 8.300 0.536 0.000 0.507 91 E N 0.630 119.977 120.200 -1.422 0.000 2.106 91 E HA -0.331 3.192 4.350 -1.378 0.000 0.192 91 E C 1.472 177.788 176.600 -0.475 0.000 0.984 91 E CA 3.489 59.201 56.400 -1.147 0.000 0.806 91 E CB -0.708 28.481 29.700 -0.852 0.000 0.750 91 E HN 0.379 8.088 8.360 -1.036 0.029 0.458 92 N N -2.558 115.981 118.700 -0.269 0.000 2.512 92 N HA -0.165 4.622 4.740 -0.104 -0.109 0.183 92 N C 1.100 176.603 175.510 -0.011 0.000 1.073 92 N CA 2.286 55.276 53.050 -0.100 0.000 0.911 92 N CB -0.074 38.395 38.487 -0.031 0.000 0.964 92 N HN -0.105 8.004 8.380 -0.252 0.120 0.447 93 V N -3.078 116.812 119.914 -0.040 0.000 3.406 93 V HA -0.063 4.270 4.120 0.355 0.000 0.263 93 V C 0.768 176.895 176.094 0.056 0.000 1.172 93 V CA 0.839 63.211 62.300 0.119 0.000 1.140 93 V CB -0.683 31.188 31.823 0.080 0.000 0.784 93 V HN -0.458 7.435 8.190 -0.177 0.191 0.467 94 K N 0.268 120.593 120.400 -0.124 0.000 2.166 94 K HA 0.006 4.249 4.320 -0.128 0.000 0.201 94 K C 1.929 178.504 176.600 -0.043 0.000 1.052 94 K CA 1.763 57.970 56.287 -0.132 0.000 0.969 94 K CB -0.468 31.878 32.500 -0.257 0.000 0.761 94 K HN -0.318 7.621 8.250 -0.223 0.177 0.459 95 E N -2.040 118.129 120.200 -0.052 0.000 2.481 95 E HA -0.159 4.166 4.350 -0.040 0.000 0.195 95 E C 1.016 177.616 176.600 0.001 0.000 1.047 95 E CA 2.336 58.715 56.400 -0.034 0.000 0.867 95 E CB -0.763 28.901 29.700 -0.060 0.000 0.858 95 E HN -0.590 7.715 8.360 -0.091 0.000 0.513 96 K N -2.386 118.058 120.400 0.075 0.000 2.262 96 K HA 0.006 4.282 4.320 -0.073 0.000 0.200 96 K C 0.586 177.125 176.600 -0.103 0.000 1.058 96 K CA 1.347 57.629 56.287 -0.010 0.000 0.974 96 K CB 0.518 33.050 32.500 0.052 0.000 0.910 96 K HN -0.340 7.822 8.250 0.149 0.177 0.484 97 W N -3.109 118.153 121.300 -0.064 0.000 2.640 97 W HA 0.023 4.775 4.660 -0.027 -0.108 0.268 97 W C 1.586 178.068 176.519 -0.062 0.000 1.263 97 W CA 2.118 59.430 57.345 -0.054 0.000 1.344 97 W CB 0.428 29.842 29.460 -0.077 0.000 1.093 97 W HN -0.726 7.833 8.180 0.632 0.000 0.603 98 V N 0.064 120.057 119.914 0.132 0.000 2.295 98 V HA -0.311 3.836 4.120 0.046 0.000 0.246 98 V C 0.043 176.157 176.094 0.033 0.000 1.049 98 V CA 5.447 67.775 62.300 0.047 0.000 1.024 98 V CB -2.404 29.419 31.823 -0.001 0.000 0.648 98 V HN -0.694 7.580 8.190 0.140 0.000 0.447 99 P HA -0.042 4.383 4.420 0.009 0.000 0.229 99 P C 0.077 177.374 177.300 -0.005 0.000 1.160 99 P CA 1.754 64.854 63.100 -0.000 0.000 0.777 99 P CB -0.417 31.272 31.700 -0.019 0.000 0.814 100 E N -0.975 119.215 120.200 -0.016 0.000 2.209 100 E HA -0.236 4.067 4.350 -0.078 0.000 0.196 100 E C -0.116 176.497 176.600 0.021 0.000 0.993 100 E CA 0.880 57.254 56.400 -0.043 0.000 0.819 100 E CB 0.100 29.746 29.700 -0.092 0.000 0.745 100 E HN -0.181 7.997 8.360 -0.004 0.180 0.477 101 I N -1.058 119.545 120.570 0.056 0.000 8.033 101 I HA -0.295 3.925 4.170 0.083 0.000 0.126 101 I C -0.300 175.882 176.117 0.108 0.000 1.834 101 I CA 0.013 61.366 61.300 0.088 0.000 2.071 101 I CB -0.522 37.538 38.000 0.101 0.000 3.728 101 I HN -0.647 7.572 8.210 0.056 0.025 0.180 102 T N 5.210 119.818 114.554 0.089 0.000 2.428 102 T HA -0.321 4.087 4.350 0.095 0.000 0.248 102 T C 0.545 175.356 174.700 0.186 0.000 1.284 102 T CA 3.024 65.148 62.100 0.039 0.000 1.217 102 T CB 0.129 68.928 68.868 -0.116 0.000 0.864 102 T HN 0.069 8.358 8.240 0.082 0.000 0.402 103 H N -4.128 115.024 119.070 0.136 0.000 2.885 103 H HA 0.102 4.732 4.556 0.123 0.000 0.260 103 H C -0.719 174.735 175.328 0.210 0.000 0.985 103 H CA 0.854 56.986 56.048 0.141 0.000 1.210 103 H CB 1.286 31.123 29.762 0.126 0.000 1.466 103 H HN -0.046 8.235 8.280 0.001 0.000 0.493 104 H N -2.834 116.332 119.070 0.160 0.000 1.795 104 H HA -0.079 4.526 4.556 0.080 0.000 0.115 104 H C -1.760 173.611 175.328 0.072 0.000 1.246 104 H CA 1.234 57.341 56.048 0.098 0.000 0.415 104 H CB 0.098 29.918 29.762 0.096 0.000 0.314 104 H HN -0.211 8.193 8.280 0.207 0.000 0.206 105 C N 0.701 119.797 119.300 -0.339 0.000 3.337 105 C HA 0.447 4.804 4.460 -0.171 0.000 0.328 105 C C -1.764 173.113 174.990 -0.188 0.000 2.383 105 C CA -2.378 56.431 59.018 -0.348 0.000 1.308 105 C CB -0.510 26.807 27.740 -0.705 0.000 2.334 105 C HN -0.061 8.079 8.230 -0.149 0.000 0.558 106 P HA 0.055 4.459 4.420 -0.027 0.000 0.226 106 P C -0.842 176.442 177.300 -0.027 0.000 1.161 106 P CA 0.725 63.802 63.100 -0.038 0.000 0.804 106 P CB 0.113 31.793 31.700 -0.034 0.000 0.829 107 K N -3.753 116.638 120.400 -0.014 0.000 3.244 107 K HA -0.340 4.020 4.320 0.067 0.000 0.270 107 K C -0.915 175.727 176.600 0.069 0.000 1.016 107 K CA 0.180 56.490 56.287 0.038 0.000 0.754 107 K CB -2.813 29.697 32.500 0.017 0.000 1.326 107 K HN -0.277 7.930 8.250 -0.026 0.027 0.465 108 T N 1.415 116.014 114.554 0.075 0.000 2.854 108 T HA -0.145 4.204 4.350 -0.003 0.000 0.336 108 T C -0.790 173.985 174.700 0.125 0.000 1.095 108 T CA 0.015 62.153 62.100 0.064 0.000 1.118 108 T CB 0.881 69.808 68.868 0.100 0.000 1.025 108 T HN -0.161 8.109 8.240 0.051 0.000 0.549 109 P HA 0.010 4.482 4.420 0.086 0.000 0.271 109 P C -1.908 175.435 177.300 0.072 0.000 1.218 109 P CA 0.092 63.211 63.100 0.030 0.000 0.780 109 P CB 0.578 32.230 31.700 -0.080 0.000 0.901 110 F N 0.369 120.341 119.950 0.036 0.000 2.612 110 F HA 0.123 4.725 4.527 0.126 0.000 0.332 110 F C -1.138 174.694 175.800 0.053 0.000 1.167 110 F CA -1.072 56.977 58.000 0.082 0.000 0.970 110 F CB 2.984 42.044 39.000 0.100 0.000 1.234 110 F HN -0.069 8.372 8.300 0.235 0.000 0.453 111 L N 5.375 126.672 121.223 0.124 0.000 2.385 111 L HA 0.080 4.476 4.340 0.093 0.000 0.285 111 L C -0.881 176.105 176.870 0.192 0.000 1.125 111 L CA -1.172 53.729 54.840 0.103 0.000 0.890 111 L CB -2.008 40.048 42.059 -0.005 0.000 1.251 111 L HN 0.197 8.405 8.230 -0.038 0.000 0.445 112 L N 5.450 126.821 121.223 0.246 0.000 2.426 112 L HA -0.014 4.588 4.340 0.437 0.000 0.271 112 L C -1.100 175.900 176.870 0.217 0.000 1.169 112 L CA 1.254 56.282 54.840 0.314 0.000 0.836 112 L CB 0.356 42.594 42.059 0.298 0.000 1.112 112 L HN -0.367 7.996 8.230 0.221 0.000 0.465 113 V N -1.131 118.919 119.914 0.227 0.000 3.206 113 V HA 0.375 4.704 4.120 0.102 -0.147 0.305 113 V C -0.189 175.991 176.094 0.143 0.000 1.257 113 V CA -2.113 60.258 62.300 0.118 0.000 1.057 113 V CB 4.406 36.240 31.823 0.019 0.000 1.075 113 V HN -0.227 8.162 8.190 0.332 0.000 0.443 114 G N -0.419 108.432 108.800 0.085 0.000 2.417 114 G HA2 0.554 4.803 3.960 0.129 0.000 0.334 114 G HA3 0.554 4.553 3.960 0.065 0.000 0.334 114 G C -1.389 173.525 174.900 0.023 0.000 1.150 114 G CA -1.449 43.697 45.100 0.078 0.000 0.923 114 G HN 0.013 8.337 8.290 0.056 0.000 0.485 115 T N 3.621 118.187 114.554 0.021 0.000 2.767 115 T HA 0.362 4.695 4.350 -0.028 0.000 0.284 115 T C 0.348 175.038 174.700 -0.017 0.000 0.973 115 T CA -0.955 61.138 62.100 -0.011 0.000 0.996 115 T CB 1.499 70.362 68.868 -0.008 0.000 0.927 115 T HN 0.423 8.606 8.240 0.050 0.087 0.456 116 Q N 3.754 123.532 119.800 -0.036 0.000 2.452 116 Q HA -0.430 3.917 4.340 -0.070 -0.049 0.318 116 Q C -0.488 175.486 176.000 -0.043 0.000 1.386 116 Q CA 1.203 56.975 55.803 -0.051 0.000 0.872 116 Q CB -2.633 26.075 28.738 -0.049 0.000 1.151 116 Q HN 0.866 9.112 8.270 -0.041 0.000 0.417 117 I N -6.174 114.375 120.570 -0.036 0.000 2.493 117 I HA -0.220 3.939 4.170 -0.019 0.000 0.254 117 I C 0.146 176.239 176.117 -0.039 0.000 1.160 117 I CA 0.917 62.201 61.300 -0.027 0.000 1.445 117 I CB 0.057 38.047 38.000 -0.016 0.000 1.086 117 I HN -0.199 7.989 8.210 -0.036 0.000 0.433 118 D N 1.549 121.914 120.400 -0.058 0.000 2.836 118 D HA -0.284 4.319 4.640 -0.062 0.000 0.221 118 D C 0.118 176.383 176.300 -0.057 0.000 1.062 118 D CA 1.249 55.208 54.000 -0.069 0.000 1.264 118 D CB -1.465 39.274 40.800 -0.102 0.000 1.161 118 D HN -0.292 8.004 8.370 -0.066 0.033 0.451 119 L N -3.006 118.191 121.223 -0.042 0.000 2.303 119 L HA -0.101 4.220 4.340 -0.032 0.000 0.448 119 L C -0.169 176.685 176.870 -0.026 0.000 0.924 119 L CA 2.097 56.916 54.840 -0.034 0.000 1.998 119 L CB -0.031 42.005 42.059 -0.039 0.000 1.970 119 L HN 0.509 8.636 8.230 -0.037 0.081 0.498 120 R N 2.029 122.513 120.500 -0.025 0.000 2.103 120 R HA -0.407 3.920 4.340 -0.021 0.000 0.242 120 R C 0.823 177.112 176.300 -0.018 0.000 1.142 120 R CA 3.515 59.603 56.100 -0.020 0.000 0.960 120 R CB -0.418 29.873 30.300 -0.016 0.000 0.858 120 R HN 0.257 8.352 8.270 -0.028 0.158 0.439 121 D N -2.512 117.879 120.400 -0.015 0.000 2.228 121 D HA -0.146 4.489 4.640 -0.009 0.000 0.203 121 D C 0.205 176.497 176.300 -0.014 0.000 0.988 121 D CA 2.198 56.191 54.000 -0.012 0.000 0.864 121 D CB 0.031 40.825 40.800 -0.010 0.000 0.928 121 D HN -0.429 7.922 8.370 -0.017 0.009 0.469 122 D N -1.767 118.623 120.400 -0.016 0.000 2.308 122 D HA 0.227 4.859 4.640 -0.013 0.000 0.251 122 D C -1.179 175.111 176.300 -0.016 0.000 1.127 122 D CA -1.614 52.377 54.000 -0.015 0.000 0.876 122 D CB 0.477 41.268 40.800 -0.016 0.000 1.176 122 D HN -0.272 7.925 8.370 -0.018 0.163 0.446 123 P HA 0.154 4.564 4.420 -0.017 0.000 0.253 123 P C -1.323 175.969 177.300 -0.013 0.000 1.459 123 P CA -0.230 62.861 63.100 -0.015 0.000 0.908 123 P CB 0.026 31.717 31.700 -0.014 0.000 1.470 124 S N -0.966 114.727 115.700 -0.012 0.000 2.444 124 S HA -0.099 4.365 4.470 -0.009 0.000 0.223 124 S C 1.571 176.165 174.600 -0.011 0.000 1.054 124 S CA 2.187 60.381 58.200 -0.011 0.000 0.947 124 S CB 0.102 63.296 63.200 -0.010 0.000 0.850 124 S HN 0.151 8.333 8.310 -0.014 0.119 0.527 125 T N 4.504 119.051 114.554 -0.013 0.000 2.942 125 T HA -0.110 4.234 4.350 -0.010 0.000 0.265 125 T C 1.615 176.308 174.700 -0.011 0.000 1.062 125 T CA 2.600 64.693 62.100 -0.012 0.000 1.139 125 T CB -0.155 68.703 68.868 -0.015 0.000 0.883 125 T HN 0.006 8.238 8.240 -0.014 0.000 0.468 126 I N 1.136 121.698 120.570 -0.014 0.000 2.399 126 I HA -0.438 3.721 4.170 -0.017 0.000 0.254 126 I C 0.972 177.082 176.117 -0.012 0.000 1.146 126 I CA 2.666 63.957 61.300 -0.016 0.000 1.412 126 I CB -0.252 37.736 38.000 -0.019 0.000 1.076 126 I HN -0.234 7.950 8.210 -0.015 0.017 0.432 127 E N -0.378 119.816 120.200 -0.010 0.000 2.219 127 E HA -0.513 3.832 4.350 -0.008 0.000 0.198 127 E C 1.926 178.523 176.600 -0.004 0.000 0.998 127 E CA 3.174 59.569 56.400 -0.007 0.000 0.818 127 E CB -0.555 29.141 29.700 -0.007 0.000 0.741 127 E HN -0.637 7.540 8.360 -0.011 0.176 0.477 128 K N -1.947 118.451 120.400 -0.004 0.000 2.103 128 K HA -0.306 4.015 4.320 0.001 0.000 0.207 128 K C 2.610 179.212 176.600 0.003 0.000 1.048 128 K CA 2.491 58.778 56.287 0.000 0.000 0.930 128 K CB -0.458 32.042 32.500 0.001 0.000 0.716 128 K HN 0.216 8.299 8.250 -0.006 0.164 0.444 129 L N -1.635 119.589 121.223 0.001 0.000 2.012 129 L HA -0.276 4.147 4.340 0.013 -0.076 0.210 129 L C 2.309 179.183 176.870 0.006 0.000 1.073 129 L CA 2.542 57.385 54.840 0.006 0.000 0.748 129 L CB -1.784 40.273 42.059 -0.002 0.000 0.891 129 L HN -0.218 7.998 8.230 -0.003 0.012 0.431 130 A N -1.235 121.586 122.820 0.001 0.000 1.927 130 A HA -0.293 4.332 4.320 0.002 -0.305 0.220 130 A C 2.128 179.714 177.584 0.004 0.000 1.185 130 A CA 2.818 54.856 52.037 0.001 0.000 0.639 130 A CB -1.045 17.954 19.000 -0.002 0.000 0.820 130 A HN -0.389 7.760 8.150 -0.002 0.000 0.451 131 K N -1.874 118.528 120.400 0.004 0.000 2.281 131 K HA -0.234 4.088 4.320 0.003 0.000 0.203 131 K C 0.702 177.306 176.600 0.007 0.000 1.046 131 K CA 1.982 58.272 56.287 0.005 0.000 0.938 131 K CB 0.169 32.672 32.500 0.005 0.000 0.737 131 K HN -0.053 8.190 8.250 0.003 0.009 0.458 132 N N -5.750 112.956 118.700 0.010 0.000 2.559 132 N HA 0.101 4.848 4.740 0.011 0.000 0.247 132 N C 0.146 175.666 175.510 0.016 0.000 1.063 132 N CA 0.730 53.788 53.050 0.013 0.000 0.876 132 N CB 2.300 40.797 38.487 0.017 0.000 1.608 132 N HN -0.003 8.205 8.380 0.010 0.178 0.467 133 K N 0.395 120.807 120.400 0.019 0.000 2.316 133 K HA 0.344 4.678 4.320 0.023 0.000 0.251 133 K C -0.909 175.701 176.600 0.016 0.000 0.934 133 K CA -1.916 54.385 56.287 0.024 0.000 0.802 133 K CB 1.830 34.354 32.500 0.040 0.000 1.171 133 K HN 0.407 8.556 8.250 0.018 0.112 0.426 134 Q N 0.547 120.356 119.800 0.015 0.000 2.280 134 Q HA 0.085 4.426 4.340 0.003 0.000 0.201 134 Q C -0.238 175.765 176.000 0.005 0.000 0.890 134 Q CA 0.005 55.812 55.803 0.006 0.000 0.947 134 Q CB -0.062 28.679 28.738 0.005 0.000 1.081 134 Q HN 0.328 8.609 8.270 0.018 0.000 0.502 135 K N 0.474 120.882 120.400 0.014 0.000 2.626 135 K HA 0.451 4.765 4.320 -0.010 0.000 0.223 135 K C -2.438 174.157 176.600 -0.008 0.000 0.992 135 K CA -2.483 53.809 56.287 0.007 0.000 1.024 135 K CB 0.849 33.370 32.500 0.036 0.000 1.225 135 K HN -0.130 8.066 8.250 0.026 0.070 0.498 136 P HA -0.024 4.359 4.420 -0.061 0.000 0.274 136 P C -1.340 175.839 177.300 -0.201 0.000 1.246 136 P CA -0.765 62.283 63.100 -0.086 0.000 0.795 136 P CB 0.825 32.484 31.700 -0.068 0.000 1.006 137 I N 0.039 120.429 120.570 -0.300 0.000 2.496 137 I HA 0.034 3.714 4.170 -0.816 0.000 0.285 137 I C -0.721 175.209 176.117 -0.310 0.000 1.080 137 I CA -1.046 59.930 61.300 -0.540 0.000 1.404 137 I CB 0.128 37.776 38.000 -0.588 0.000 1.403 137 I HN -0.013 8.070 8.210 -0.213 0.000 0.539 138 T N 4.432 118.802 114.554 -0.306 0.000 2.887 138 T HA 0.540 4.807 4.350 -0.138 0.000 0.292 138 T C -0.857 173.726 174.700 -0.195 0.000 1.087 138 T CA -3.632 58.355 62.100 -0.189 0.000 1.009 138 T CB 1.601 70.371 68.868 -0.163 0.000 1.203 138 T HN -0.344 7.657 8.240 -0.398 0.000 0.518 139 P HA -0.127 4.172 4.420 -0.201 0.000 0.219 139 P C 1.189 178.149 177.300 -0.567 0.000 1.150 139 P CA 2.320 65.218 63.100 -0.337 0.000 0.814 139 P CB 0.139 31.727 31.700 -0.187 0.000 0.787 140 E N -3.514 116.475 120.200 -0.353 0.000 2.274 140 E HA -0.141 4.181 4.350 -0.351 -0.183 0.194 140 E C 2.079 178.546 176.600 -0.221 0.000 0.996 140 E CA 2.740 58.968 56.400 -0.288 0.000 0.840 140 E CB -1.146 28.447 29.700 -0.178 0.000 0.772 140 E HN 0.534 8.726 8.360 -0.254 0.015 0.491 141 T N 3.088 117.517 114.554 -0.208 0.000 2.894 141 T HA -0.222 4.070 4.350 -0.096 0.000 0.258 141 T C 1.462 176.087 174.700 -0.126 0.000 1.043 141 T CA 4.174 66.184 62.100 -0.149 0.000 1.141 141 T CB -0.074 68.666 68.868 -0.213 0.000 0.873 141 T HN -0.487 7.462 8.240 -0.230 0.153 0.449 142 A N 1.337 124.056 122.820 -0.168 0.000 1.902 142 A HA -0.299 3.994 4.320 -0.046 0.000 0.217 142 A C 1.716 179.272 177.584 -0.046 0.000 1.181 142 A CA 3.238 55.233 52.037 -0.070 0.000 0.623 142 A CB -0.982 18.026 19.000 0.013 0.000 0.818 142 A HN -0.112 7.904 8.150 -0.223 0.000 0.443 143 E N -1.783 118.324 120.200 -0.155 0.000 2.085 143 E HA -0.434 3.926 4.350 0.017 0.000 0.194 143 E C 2.508 179.080 176.600 -0.046 0.000 0.994 143 E CA 3.395 59.741 56.400 -0.091 0.000 0.801 143 E CB -0.286 29.284 29.700 -0.216 0.000 0.743 143 E HN -0.315 7.856 8.360 -0.305 0.006 0.453 144 K N -1.025 119.336 120.400 -0.064 0.000 2.097 144 K HA -0.296 4.004 4.320 -0.033 0.000 0.206 144 K C 2.546 179.132 176.600 -0.024 0.000 1.049 144 K CA 3.286 59.551 56.287 -0.037 0.000 0.933 144 K CB -0.127 32.351 32.500 -0.037 0.000 0.717 144 K HN -0.809 7.303 8.250 -0.097 0.079 0.442 145 L N -1.007 120.203 121.223 -0.021 0.000 2.027 145 L HA -0.275 4.038 4.340 -0.044 0.000 0.206 145 L C 0.874 177.727 176.870 -0.028 0.000 1.074 145 L CA 3.267 58.086 54.840 -0.034 0.000 0.745 145 L CB -0.353 41.682 42.059 -0.041 0.000 0.898 145 L HN -0.495 7.633 8.230 -0.021 0.089 0.433 146 A N -0.697 122.125 122.820 0.004 0.000 1.883 146 A HA -0.411 3.930 4.320 0.035 0.000 0.217 146 A C 1.937 179.535 177.584 0.023 0.000 1.186 146 A CA 3.397 55.454 52.037 0.034 0.000 0.624 146 A CB -0.683 18.365 19.000 0.081 0.000 0.822 146 A HN 0.473 8.630 8.150 0.011 0.000 0.444 147 R N -3.622 116.886 120.500 0.013 0.000 2.148 147 R HA -0.233 4.116 4.340 0.015 0.000 0.227 147 R C 1.798 178.097 176.300 -0.002 0.000 1.103 147 R CA 2.349 58.453 56.100 0.008 0.000 0.983 147 R CB -0.146 30.155 30.300 0.001 0.000 0.874 147 R HN 0.034 8.309 8.270 0.009 0.000 0.451 148 D N -0.716 119.676 120.400 -0.012 0.000 2.120 148 D HA -0.097 4.534 4.640 -0.016 0.000 0.202 148 D C 1.424 177.712 176.300 -0.020 0.000 0.972 148 D CA 2.805 56.793 54.000 -0.020 0.000 0.837 148 D CB 0.224 41.005 40.800 -0.032 0.000 0.989 148 D HN -0.309 7.910 8.370 -0.015 0.142 0.469 149 L N -3.748 117.460 121.223 -0.026 0.000 2.592 149 L HA 0.050 4.379 4.340 -0.018 0.000 0.227 149 L C -0.667 176.209 176.870 0.009 0.000 1.127 149 L CA 0.044 54.872 54.840 -0.021 0.000 0.884 149 L CB 0.323 42.343 42.059 -0.064 0.000 1.065 149 L HN -0.140 8.070 8.230 -0.033 0.000 0.457 150 K N -5.794 114.614 120.400 0.013 0.000 3.192 150 K HA -0.485 3.852 4.320 0.023 -0.003 0.278 150 K C -0.802 175.831 176.600 0.054 0.000 1.164 150 K CA 0.752 57.056 56.287 0.027 0.000 0.816 150 K CB -3.397 29.114 32.500 0.019 0.000 1.256 150 K HN -0.192 7.946 8.250 0.004 0.114 0.497 151 A N -2.522 120.340 122.820 0.070 0.000 2.269 151 A HA -0.145 4.286 4.320 0.185 0.000 0.283 151 A C -0.134 177.513 177.584 0.106 0.000 1.613 151 A CA 1.213 53.331 52.037 0.134 0.000 0.933 151 A CB 0.501 19.589 19.000 0.147 0.000 1.368 151 A HN -0.306 7.764 8.150 0.045 0.107 0.606 152 V N -2.428 117.557 119.914 0.119 0.000 2.950 152 V HA 0.094 4.245 4.120 0.052 0.000 0.231 152 V C -0.320 175.821 176.094 0.078 0.000 1.205 152 V CA 0.902 63.245 62.300 0.071 0.000 1.239 152 V CB 2.028 33.875 31.823 0.041 0.000 1.050 152 V HN -0.300 7.989 8.190 0.165 0.000 0.498 153 K N -2.865 117.594 120.400 0.099 0.000 2.639 153 K HA 0.157 4.577 4.320 0.168 0.000 0.279 153 K C -2.323 174.360 176.600 0.139 0.000 0.976 153 K CA -0.635 55.721 56.287 0.116 0.000 0.861 153 K CB 3.341 35.861 32.500 0.033 0.000 1.436 153 K HN -0.672 7.646 8.250 0.113 0.000 0.400 154 Y N 0.944 121.271 120.300 0.045 0.000 2.365 154 Y HA 0.133 4.834 4.550 0.079 -0.103 0.340 154 Y C -1.553 174.373 175.900 0.043 0.000 1.016 154 Y CA -0.977 57.154 58.100 0.052 0.000 1.196 154 Y CB 0.092 38.570 38.460 0.031 0.000 1.167 154 Y HN 0.033 8.623 8.280 0.517 0.000 0.509 155 V N 2.474 122.290 119.914 -0.162 0.000 3.165 155 V HA 0.415 4.263 4.120 -0.453 0.000 0.307 155 V C -1.371 174.681 176.094 -0.071 0.000 1.281 155 V CA -2.780 59.380 62.300 -0.233 0.000 1.056 155 V CB 3.288 35.038 31.823 -0.122 0.000 1.178 155 V HN 0.938 9.020 8.190 0.030 0.125 0.475 156 E N -0.783 119.384 120.200 -0.055 0.000 2.331 156 E HA 0.348 4.790 4.350 0.019 -0.081 0.275 156 E C -2.189 174.405 176.600 -0.010 0.000 0.895 156 E CA -0.538 55.857 56.400 -0.008 0.000 0.753 156 E CB 3.836 33.533 29.700 -0.005 0.000 1.216 156 E HN 0.110 8.425 8.360 -0.076 0.000 0.434 157 C N 2.391 121.686 119.300 -0.007 0.000 2.551 157 C HA 0.231 4.687 4.460 -0.005 0.000 0.332 157 C C -2.051 172.925 174.990 -0.025 0.000 1.139 157 C CA -0.749 58.263 59.018 -0.010 0.000 1.328 157 C CB 2.992 30.728 27.740 -0.006 0.000 1.903 157 C HN 0.053 8.281 8.230 -0.003 0.000 0.459 158 S N 2.179 117.857 115.700 -0.036 0.000 2.715 158 S HA 0.220 4.652 4.470 -0.063 0.000 0.307 158 S C -0.406 174.154 174.600 -0.067 0.000 1.119 158 S CA -1.973 56.187 58.200 -0.067 0.000 0.937 158 S CB 2.231 65.372 63.200 -0.098 0.000 1.150 158 S HN 0.004 8.363 8.310 -0.027 -0.065 0.521 159 A N 3.464 126.228 122.820 -0.093 0.000 2.536 159 A HA 0.137 4.462 4.320 0.009 0.000 0.219 159 A C 0.224 177.747 177.584 -0.101 0.000 1.926 159 A CA 1.529 53.538 52.037 -0.048 0.000 0.710 159 A CB -0.480 18.488 19.000 -0.053 0.000 1.364 159 A HN 0.452 8.530 8.150 -0.119 0.000 0.522 160 L N -1.114 120.028 121.223 -0.135 0.000 2.081 160 L HA -0.166 4.195 4.340 0.035 0.000 0.212 160 L C 1.465 177.753 176.870 -0.970 0.000 1.080 160 L CA 2.368 57.066 54.840 -0.236 0.000 0.754 160 L CB -0.274 41.758 42.059 -0.045 0.000 0.893 160 L HN 0.148 8.293 8.230 -0.142 0.000 0.433 161 T N -6.187 108.001 114.554 -0.610 0.000 2.896 161 T HA -0.220 3.692 4.350 -0.729 0.000 0.263 161 T C -0.618 173.781 174.700 -0.503 0.000 1.050 161 T CA 0.113 61.852 62.100 -0.602 0.000 1.140 161 T CB 0.554 69.255 68.868 -0.278 0.000 0.877 161 T HN -0.258 7.752 8.240 -0.373 0.006 0.457 162 Q N -0.280 119.351 119.800 -0.281 0.000 2.455 162 Q HA -0.345 4.129 4.340 -0.010 -0.140 0.343 162 Q C -1.024 174.967 176.000 -0.015 0.000 1.458 162 Q CA 0.847 56.625 55.803 -0.041 0.000 0.923 162 Q CB -1.282 27.582 28.738 0.210 0.000 1.149 162 Q HN 0.024 8.049 8.270 -0.259 0.089 0.357 163 K N 2.179 122.556 120.400 -0.039 0.000 3.006 163 K HA -0.079 4.233 4.320 -0.013 0.000 0.262 163 K C -0.438 176.158 176.600 -0.007 0.000 1.289 163 K CA -1.311 54.963 56.287 -0.021 0.000 1.245 163 K CB -1.636 30.844 32.500 -0.034 0.000 1.614 163 K HN 0.459 8.765 8.250 -0.057 -0.091 0.322 164 G N -2.571 106.234 108.800 0.008 0.000 2.200 164 G HA2 -0.136 3.828 3.960 0.006 0.000 0.145 164 G HA3 -0.136 3.989 3.960 -0.012 -0.172 0.145 164 G C 0.173 175.086 174.900 0.021 0.000 1.021 164 G CA -0.150 44.953 45.100 0.005 0.000 0.720 164 G HN -0.300 7.933 8.290 0.024 0.072 0.494 165 L N -1.689 119.554 121.223 0.033 0.000 2.129 165 L HA -0.376 3.987 4.340 0.039 0.000 0.212 165 L C 1.248 178.149 176.870 0.051 0.000 1.087 165 L CA 2.898 57.763 54.840 0.041 0.000 0.757 165 L CB -0.633 41.456 42.059 0.051 0.000 0.896 165 L HN 0.015 8.267 8.230 0.037 0.000 0.434 166 K N -3.167 117.258 120.400 0.041 0.000 2.262 166 K HA -0.193 4.142 4.320 0.025 0.000 0.200 166 K C 2.264 178.922 176.600 0.098 0.000 1.049 166 K CA 2.519 58.834 56.287 0.046 0.000 0.979 166 K CB -0.358 32.147 32.500 0.008 0.000 0.773 166 K HN 0.010 8.265 8.250 0.038 0.017 0.474 167 N N -0.023 118.712 118.700 0.057 0.000 2.216 167 N HA -0.226 4.539 4.740 0.040 0.000 0.183 167 N C 1.854 177.386 175.510 0.037 0.000 1.017 167 N CA 3.363 56.434 53.050 0.035 0.000 0.861 167 N CB 0.121 38.602 38.487 -0.009 0.000 0.986 167 N HN -0.186 8.104 8.380 0.039 0.114 0.428 168 V N -0.758 119.182 119.914 0.043 0.000 2.427 168 V HA -0.443 3.667 4.120 -0.016 0.000 0.248 168 V C 1.184 177.309 176.094 0.052 0.000 1.051 168 V CA 4.271 66.586 62.300 0.025 0.000 1.048 168 V CB -0.113 31.726 31.823 0.027 0.000 0.666 168 V HN -0.168 8.050 8.190 0.047 0.000 0.456 169 F N 0.212 120.141 119.950 -0.035 0.000 2.171 169 F HA -0.450 4.053 4.527 -0.042 0.000 0.300 169 F C 0.850 176.634 175.800 -0.028 0.000 1.090 169 F CA 3.604 61.584 58.000 -0.033 0.000 1.293 169 F CB 0.205 39.191 39.000 -0.024 0.000 1.013 169 F HN -0.806 7.636 8.300 0.257 0.012 0.486 170 D N -1.708 118.774 120.400 0.137 0.000 2.097 170 D HA -0.282 4.401 4.640 0.072 0.000 0.197 170 D C 2.351 178.616 176.300 -0.058 0.000 0.984 170 D CA 3.682 57.711 54.000 0.049 0.000 0.826 170 D CB -0.371 40.479 40.800 0.083 0.000 0.973 170 D HN -0.728 7.665 8.370 0.203 0.099 0.460 171 E N -1.249 118.919 120.200 -0.054 0.000 2.153 171 E HA -0.279 4.038 4.350 -0.054 0.000 0.194 171 E C 2.266 178.797 176.600 -0.115 0.000 0.988 171 E CA 2.302 58.661 56.400 -0.069 0.000 0.811 171 E CB -0.544 29.123 29.700 -0.054 0.000 0.746 171 E HN -0.661 7.682 8.360 -0.027 0.000 0.466 172 A N -1.133 121.579 122.820 -0.180 0.000 2.066 172 A HA -0.161 4.046 4.320 -0.188 0.000 0.218 172 A C 1.884 179.304 177.584 -0.272 0.000 1.157 172 A CA 2.641 54.532 52.037 -0.243 0.000 0.670 172 A CB -0.762 18.036 19.000 -0.337 0.000 0.804 172 A HN -0.361 7.657 8.150 -0.184 0.021 0.453 173 I N -1.484 118.919 120.570 -0.279 0.000 2.226 173 I HA -0.387 3.608 4.170 -0.292 0.000 0.245 173 I C 1.809 177.818 176.117 -0.179 0.000 1.100 173 I CA 2.703 63.860 61.300 -0.238 0.000 1.374 173 I CB -0.883 37.027 38.000 -0.151 0.000 1.057 173 I HN -0.407 7.481 8.210 -0.270 0.160 0.413 174 L N -2.189 118.959 121.223 -0.126 0.000 2.179 174 L HA -0.113 4.167 4.340 -0.100 0.000 0.208 174 L C 2.118 178.929 176.870 -0.099 0.000 1.096 174 L CA 1.391 56.174 54.840 -0.096 0.000 0.779 174 L CB -1.855 40.169 42.059 -0.058 0.000 0.922 174 L HN -0.739 7.423 8.230 -0.113 0.000 0.443 175 A N -3.272 119.485 122.820 -0.105 0.000 2.251 175 A HA -0.123 4.156 4.320 -0.069 0.000 0.209 175 A C 0.127 177.636 177.584 -0.125 0.000 1.187 175 A CA 0.681 52.663 52.037 -0.091 0.000 0.823 175 A CB -0.367 18.590 19.000 -0.072 0.000 0.846 175 A HN -0.319 7.762 8.150 -0.115 0.000 0.486 176 A N -2.460 120.262 122.820 -0.164 0.000 1.943 176 A HA -0.102 4.103 4.320 -0.192 0.000 0.213 176 A C 0.495 177.984 177.584 -0.159 0.000 1.181 176 A CA 2.015 53.940 52.037 -0.187 0.000 0.653 176 A CB 0.787 19.648 19.000 -0.232 0.000 0.833 176 A HN -0.360 7.507 8.150 -0.172 0.180 0.451 177 L N -5.364 115.763 121.223 -0.160 0.000 2.590 177 L HA 0.074 4.354 4.340 -0.124 -0.014 0.227 177 L C -0.187 176.625 176.870 -0.095 0.000 1.099 177 L CA -0.401 54.357 54.840 -0.137 0.000 0.872 177 L CB 0.128 42.076 42.059 -0.186 0.000 1.088 177 L HN -0.672 7.455 8.230 -0.172 0.000 0.479 178 E N 0.000 120.147 120.200 -0.088 0.000 2.725 178 E HA 0.000 4.318 4.350 -0.053 0.000 0.291 178 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 178 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 178 E HN 0.000 8.259 8.360 -0.102 0.040 0.440