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 2jmr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MADSTITIRG YVRDNGcSVA AESTNFTVDL MENAAKQFNN IGATTPVVPF DATA SEQUENCE RILLSPcGNA VSAVKVGFTG VADSHNANLL ALENTVSAAS GLGIQLLNEQ DATA SEQUENCE QNQIPLNAPS SALSWTTLTP GKPNTLNFYA RLMATQVPVT AGHINATATF DATA SEQUENCE TLEYQDNHHH HHHKQADSTI TIRGYVRDN 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 4.479 4.480 -0.002 0.000 0.227 1 M C 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 A N 2.643 125.460 122.820 -0.004 0.000 2.466 2 A HA 0.447 4.765 4.320 -0.003 0.000 0.291 2 A C -1.708 175.873 177.584 -0.005 0.000 1.234 2 A CA 0.267 52.301 52.037 -0.006 0.000 0.752 2 A CB 0.315 19.308 19.000 -0.011 0.000 1.153 2 A HN 0.212 8.360 8.150 -0.005 0.000 0.458 3 D N 0.618 121.017 120.400 -0.001 0.000 2.732 3 D HA 0.259 4.897 4.640 -0.003 0.000 0.229 3 D C -1.613 174.688 176.300 0.003 0.000 1.152 3 D CA -0.314 53.686 54.000 -0.001 0.000 0.854 3 D CB 1.555 42.355 40.800 0.001 0.000 1.590 3 D HN 0.291 8.661 8.370 0.001 0.000 0.468 4 S N 1.772 117.473 115.700 0.002 0.000 2.607 4 S HA 0.105 4.581 4.470 0.011 0.000 0.273 4 S C -1.228 173.377 174.600 0.007 0.000 1.148 4 S CA -0.518 57.686 58.200 0.006 0.000 0.833 4 S CB 2.946 66.148 63.200 0.003 0.000 1.130 4 S HN -0.044 8.266 8.310 -0.000 0.000 0.470 5 T N 3.305 117.868 114.554 0.016 0.000 2.761 5 T HA 0.110 4.470 4.350 0.018 0.000 0.296 5 T C -1.547 173.156 174.700 0.006 0.000 0.934 5 T CA 0.687 62.800 62.100 0.022 0.000 1.091 5 T CB 0.301 69.195 68.868 0.044 0.000 0.896 5 T HN 0.251 8.503 8.240 0.020 0.000 0.515 6 I N 4.449 125.014 120.570 -0.009 0.000 2.656 6 I HA 0.203 4.335 4.170 -0.064 0.000 0.292 6 I C -1.163 174.929 176.117 -0.042 0.000 1.144 6 I CA -0.552 60.725 61.300 -0.039 0.000 1.038 6 I CB 1.768 39.747 38.000 -0.035 0.000 1.244 6 I HN 0.283 8.492 8.210 -0.002 0.000 0.420 7 T N 5.352 119.859 114.554 -0.079 0.000 4.881 7 T HA -0.296 3.990 4.350 -0.107 0.000 0.318 7 T C -1.242 173.449 174.700 -0.016 0.000 1.054 7 T CA 1.373 63.434 62.100 -0.065 0.000 2.138 7 T CB -0.102 68.736 68.868 -0.051 0.000 2.039 7 T HN 0.246 8.409 8.240 -0.128 0.000 0.926 8 I N -2.630 117.948 120.570 0.013 0.000 3.294 8 I HA 0.114 4.308 4.170 0.041 0.000 0.311 8 I C 0.085 176.269 176.117 0.112 0.000 1.111 8 I CA -1.944 59.385 61.300 0.048 0.000 0.976 8 I CB 1.988 40.007 38.000 0.031 0.000 1.260 8 I HN -0.442 7.704 8.210 0.001 0.065 0.474 9 R N 1.316 121.873 120.500 0.094 0.000 2.924 9 R HA -0.131 4.279 4.340 0.117 0.000 0.272 9 R C -0.057 176.312 176.300 0.115 0.000 1.012 9 R CA 1.020 57.179 56.100 0.097 0.000 1.171 9 R CB 0.578 30.905 30.300 0.045 0.000 1.086 9 R HN 0.224 8.531 8.270 0.061 0.000 0.489 10 G N -2.448 106.389 108.800 0.062 0.000 2.415 10 G HA2 -0.252 3.690 3.960 -0.031 0.000 0.283 10 G HA3 -0.252 3.726 3.960 0.030 0.000 0.283 10 G C -1.900 173.058 174.900 0.097 0.000 1.014 10 G CA 0.283 45.400 45.100 0.028 0.000 1.323 10 G HN 0.205 8.506 8.290 0.018 0.000 0.502 11 Y N 0.750 121.043 120.300 -0.012 0.000 2.442 11 Y HA 0.335 4.876 4.550 -0.016 0.000 0.344 11 Y C -0.958 174.930 175.900 -0.021 0.000 0.976 11 Y CA -2.404 55.686 58.100 -0.017 0.000 1.040 11 Y CB 2.346 40.796 38.460 -0.018 0.000 1.228 11 Y HN -0.651 7.524 8.280 -0.175 0.000 0.451 12 V N -0.311 119.661 119.914 0.095 0.000 4.036 12 V HA -0.158 3.934 4.120 -0.047 0.000 0.279 12 V C -0.406 175.718 176.094 0.050 0.000 0.989 12 V CA -0.337 61.978 62.300 0.026 0.000 1.003 12 V CB 0.677 32.523 31.823 0.038 0.000 1.209 12 V HN 0.071 8.355 8.190 0.157 0.000 0.447 13 R N -0.010 120.506 120.500 0.026 0.000 2.449 13 R HA -0.112 4.257 4.340 0.050 0.000 0.296 13 R C 0.822 177.196 176.300 0.123 0.000 1.047 13 R CA 0.087 56.217 56.100 0.051 0.000 1.018 13 R CB 0.082 30.378 30.300 -0.007 0.000 0.962 13 R HN 0.101 8.369 8.270 -0.004 0.000 0.428 14 D N 3.479 124.027 120.400 0.247 0.000 2.182 14 D HA -0.333 4.409 4.640 0.046 -0.075 0.193 14 D C -0.055 176.236 176.300 -0.015 0.000 0.999 14 D CA 2.606 56.675 54.000 0.114 0.000 0.850 14 D CB -0.457 40.410 40.800 0.112 0.000 0.994 14 D HN 0.319 8.879 8.370 0.317 0.000 0.450 15 N N 2.738 121.426 118.700 -0.021 0.000 2.410 15 N HA -0.182 4.608 4.740 -0.063 -0.087 0.281 15 N C -1.109 174.302 175.510 -0.164 0.000 1.241 15 N CA 0.710 53.723 53.050 -0.063 0.000 0.998 15 N CB -0.652 37.816 38.487 -0.031 0.000 1.376 15 N HN -0.139 8.249 8.380 0.014 0.000 0.490 16 G N 1.296 109.890 108.800 -0.344 0.000 2.339 16 G HA2 -0.151 2.775 3.960 -1.724 0.000 0.275 16 G HA3 -0.151 3.360 3.960 -0.748 0.000 0.275 16 G C -3.307 171.156 174.900 -0.728 0.000 1.323 16 G CA -0.405 44.146 45.100 -0.916 0.000 0.927 16 G HN -0.267 7.849 8.290 -0.245 0.026 0.486 17 c N -1.974 116.178 118.600 -0.747 0.000 3.314 17 c HA 0.246 4.722 4.570 -0.156 0.000 0.344 17 c C -1.149 172.876 174.090 -0.108 0.000 1.461 17 c CA -1.069 55.111 56.329 -0.248 0.000 1.249 17 c CB 2.580 45.041 42.510 -0.082 0.000 1.632 17 c HN 0.038 7.701 8.230 -0.944 0.000 0.452 18 S N 1.272 116.975 115.700 0.005 0.000 2.425 18 S HA 0.132 4.625 4.470 0.039 0.000 0.225 18 S C -0.766 173.902 174.600 0.112 0.000 1.024 18 S CA 2.172 60.403 58.200 0.051 0.000 0.951 18 S CB 1.164 64.392 63.200 0.047 0.000 0.796 18 S HN 0.342 8.659 8.310 0.013 0.000 0.498 19 V N -0.775 119.230 119.914 0.152 0.000 3.493 19 V HA -0.437 3.811 4.120 0.213 0.000 0.498 19 V C -0.647 175.538 176.094 0.152 0.000 0.682 19 V CA 0.302 62.722 62.300 0.200 0.000 2.046 19 V CB -0.132 31.851 31.823 0.267 0.000 2.479 19 V HN -0.773 7.493 8.190 0.126 0.000 0.507 20 A N 5.475 128.379 122.820 0.140 0.000 2.346 20 A HA 0.208 4.639 4.320 0.090 -0.058 0.252 20 A C 0.521 178.184 177.584 0.131 0.000 1.089 20 A CA -0.866 51.236 52.037 0.107 0.000 0.797 20 A CB 2.499 21.544 19.000 0.075 0.000 1.047 20 A HN -0.347 7.895 8.150 0.152 0.000 0.494 21 A N 0.413 123.299 122.820 0.110 0.000 1.978 21 A HA -0.329 4.074 4.320 0.139 0.000 0.220 21 A C 1.970 179.647 177.584 0.156 0.000 1.170 21 A CA 2.833 54.946 52.037 0.126 0.000 0.636 21 A CB -0.740 18.318 19.000 0.097 0.000 0.810 21 A HN 0.684 8.886 8.150 0.087 0.000 0.448 22 E N -4.898 115.368 120.200 0.109 0.000 2.515 22 E HA -0.199 4.215 4.350 0.107 0.000 0.201 22 E C 0.623 177.214 176.600 -0.015 0.000 1.071 22 E CA 1.911 58.349 56.400 0.063 0.000 0.880 22 E CB -0.276 29.425 29.700 0.003 0.000 0.828 22 E HN 0.586 8.978 8.360 0.086 0.020 0.540 23 S N -3.842 111.936 115.700 0.130 0.000 3.171 23 S HA 0.215 4.608 4.470 -0.128 0.000 0.258 23 S C 0.959 175.946 174.600 0.645 0.000 1.083 23 S CA 0.698 59.021 58.200 0.205 0.000 0.801 23 S CB 2.017 65.298 63.200 0.135 0.000 0.831 23 S HN -0.274 7.955 8.310 0.188 0.194 0.462 24 T N 2.776 117.621 114.554 0.485 0.000 2.962 24 T HA -0.213 4.354 4.350 0.361 0.000 0.270 24 T C -0.794 174.096 174.700 0.317 0.000 1.088 24 T CA 3.663 65.977 62.100 0.357 0.000 1.127 24 T CB 0.193 69.173 68.868 0.188 0.000 0.883 24 T HN -0.081 8.367 8.240 0.347 0.000 0.493 25 N N -0.266 118.659 118.700 0.374 0.000 2.687 25 N HA 0.207 5.062 4.740 0.191 0.000 0.275 25 N C -1.905 173.806 175.510 0.334 0.000 1.789 25 N CA -0.270 52.937 53.050 0.261 0.000 0.806 25 N CB 1.315 39.902 38.487 0.166 0.000 1.256 25 N HN -0.687 7.896 8.380 0.398 0.036 0.500 26 F N 0.169 120.202 119.950 0.139 0.000 2.824 26 F HA 0.473 5.059 4.527 0.099 0.000 0.330 26 F C -2.594 173.272 175.800 0.109 0.000 1.175 26 F CA -1.416 56.660 58.000 0.127 0.000 0.974 26 F CB 1.271 40.367 39.000 0.161 0.000 1.430 26 F HN -0.537 7.981 8.300 0.363 0.000 0.507 27 T N 1.497 115.766 114.554 -0.474 0.000 2.841 27 T HA 0.333 4.487 4.350 -0.614 -0.172 0.285 27 T C -0.789 173.705 174.700 -0.344 0.000 0.991 27 T CA -0.451 61.364 62.100 -0.475 0.000 0.966 27 T CB 2.201 70.983 68.868 -0.144 0.000 0.962 27 T HN -0.120 8.160 8.240 0.065 0.000 0.438 28 V N 6.639 126.327 119.914 -0.375 0.000 2.470 28 V HA -0.087 4.180 4.120 0.245 0.000 0.276 28 V C -1.214 174.881 176.094 0.001 0.000 1.040 28 V CA -0.669 61.616 62.300 -0.025 0.000 1.008 28 V CB 0.495 32.246 31.823 -0.119 0.000 0.990 28 V HN 0.849 8.740 8.190 -0.497 0.000 0.477 29 D N 8.261 128.711 120.400 0.083 0.000 2.508 29 D HA -0.062 4.604 4.640 0.043 0.000 0.224 29 D C -0.936 175.410 176.300 0.076 0.000 1.171 29 D CA -1.016 53.026 54.000 0.070 0.000 1.006 29 D CB -0.411 40.441 40.800 0.086 0.000 1.073 29 D HN 0.285 8.747 8.370 0.154 0.000 0.513 30 L N 5.607 126.861 121.223 0.050 0.000 2.500 30 L HA -0.066 4.318 4.340 0.073 0.000 0.272 30 L C -0.379 176.534 176.870 0.070 0.000 1.149 30 L CA 0.128 55.005 54.840 0.060 0.000 0.897 30 L CB 0.122 42.207 42.059 0.044 0.000 1.178 30 L HN -0.465 7.763 8.230 0.029 0.019 0.473 31 M N 3.916 123.562 119.600 0.077 0.000 1.717 31 M HA -0.291 4.235 4.480 0.077 0.000 0.141 31 M C 0.764 177.125 176.300 0.101 0.000 1.205 31 M CA 1.842 57.191 55.300 0.080 0.000 0.644 31 M CB 0.214 32.855 32.600 0.069 0.000 0.981 31 M HN -0.189 8.147 8.290 0.077 0.000 0.292 32 E N -2.257 118.010 120.200 0.111 0.000 2.458 32 E HA -0.391 4.190 4.350 0.177 -0.124 0.264 32 E C 0.845 177.505 176.600 0.101 0.000 1.097 32 E CA 2.149 58.624 56.400 0.126 0.000 0.973 32 E CB 0.316 30.081 29.700 0.108 0.000 0.963 32 E HN 0.075 8.492 8.360 0.096 0.000 0.451 33 N N 0.435 119.196 118.700 0.102 0.000 2.166 33 N HA 0.182 5.014 4.740 0.154 0.000 0.222 33 N C -1.532 174.067 175.510 0.147 0.000 1.282 33 N CA -0.215 52.935 53.050 0.166 0.000 0.890 33 N CB 2.119 40.743 38.487 0.229 0.000 1.114 33 N HN 0.639 8.974 8.380 0.082 0.094 0.494 34 A N -1.671 121.173 122.820 0.039 0.000 1.935 34 A HA -0.332 3.959 4.320 -0.049 0.000 0.488 34 A C 0.143 177.768 177.584 0.068 0.000 0.501 34 A CA 0.770 52.799 52.037 -0.014 0.000 0.379 34 A CB -0.341 18.611 19.000 -0.079 0.000 2.852 34 A HN -0.547 7.608 8.150 0.008 0.000 0.390 35 A N 4.990 127.826 122.820 0.028 0.000 1.883 35 A HA -0.408 4.007 4.320 0.159 0.000 0.217 35 A C 1.399 179.018 177.584 0.058 0.000 1.186 35 A CA 3.105 55.184 52.037 0.070 0.000 0.624 35 A CB -0.116 18.879 19.000 -0.009 0.000 0.822 35 A HN 0.786 8.798 8.150 -0.043 0.112 0.444 36 K N -3.024 117.365 120.400 -0.019 0.000 2.515 36 K HA -0.210 4.098 4.320 -0.021 0.000 0.196 36 K C 0.922 177.471 176.600 -0.086 0.000 1.038 36 K CA 1.606 57.868 56.287 -0.041 0.000 0.967 36 K CB -0.564 31.907 32.500 -0.048 0.000 0.780 36 K HN 0.307 8.537 8.250 -0.033 0.000 0.483 37 Q N -3.879 115.813 119.800 -0.180 0.000 2.319 37 Q HA 0.022 4.232 4.340 -0.217 0.000 0.209 37 Q C 0.301 176.077 176.000 -0.372 0.000 0.884 37 Q CA 0.631 56.234 55.803 -0.332 0.000 0.938 37 Q CB 1.007 29.442 28.738 -0.507 0.000 1.098 37 Q HN -0.662 7.429 8.270 -0.167 0.079 0.517 38 F N 2.895 122.820 119.950 -0.041 0.000 2.318 38 F HA 0.250 4.753 4.527 -0.039 0.000 0.356 38 F C -1.548 174.225 175.800 -0.045 0.000 1.109 38 F CA -1.271 56.703 58.000 -0.044 0.000 1.234 38 F CB -0.911 38.059 39.000 -0.050 0.000 1.545 38 F HN -0.230 8.103 8.300 0.056 0.000 0.534 39 N N 1.004 119.765 118.700 0.102 0.000 2.480 39 N HA 0.100 4.869 4.740 0.047 0.000 0.281 39 N C -1.400 174.131 175.510 0.035 0.000 1.381 39 N CA -0.629 52.448 53.050 0.045 0.000 0.903 39 N CB 0.247 38.740 38.487 0.009 0.000 1.274 39 N HN -0.130 8.284 8.380 0.058 0.000 0.505 40 N N -3.373 115.359 118.700 0.054 0.000 4.621 40 N HA -0.063 4.687 4.740 0.017 0.000 0.212 40 N C -0.812 174.727 175.510 0.049 0.000 1.233 40 N CA -0.207 52.863 53.050 0.034 0.000 0.792 40 N CB 0.140 38.639 38.487 0.021 0.000 1.524 40 N HN -0.726 7.640 8.380 0.091 0.069 0.468 41 I N -0.666 119.918 120.570 0.024 0.000 2.454 41 I HA -0.154 4.207 4.170 0.007 -0.187 0.254 41 I C 1.336 177.477 176.117 0.039 0.000 1.156 41 I CA 2.016 63.327 61.300 0.019 0.000 1.433 41 I CB -0.147 37.856 38.000 0.005 0.000 1.082 41 I HN 0.428 8.646 8.210 0.012 0.000 0.432 42 G N -3.308 105.517 108.800 0.041 0.000 2.598 42 G HA2 -0.101 3.881 3.960 0.038 0.000 0.215 42 G HA3 -0.101 3.877 3.960 0.030 0.000 0.215 42 G C -1.115 173.823 174.900 0.064 0.000 1.131 42 G CA -0.253 44.873 45.100 0.042 0.000 0.785 42 G HN -0.283 8.002 8.290 0.033 0.025 0.539 43 A N 1.809 124.692 122.820 0.104 0.000 2.515 43 A HA -0.054 4.294 4.320 0.047 0.000 0.263 43 A C -1.697 176.026 177.584 0.232 0.000 1.096 43 A CA 1.029 53.151 52.037 0.142 0.000 0.769 43 A CB -0.104 19.037 19.000 0.235 0.000 1.040 43 A HN -0.461 7.585 8.150 0.105 0.167 0.505 44 T N 1.116 115.742 114.554 0.120 0.000 2.965 44 T HA 0.455 4.939 4.350 0.223 0.000 0.306 44 T C -0.088 174.641 174.700 0.049 0.000 0.991 44 T CA -2.401 59.775 62.100 0.125 0.000 1.001 44 T CB 2.082 70.990 68.868 0.066 0.000 0.984 44 T HN -0.300 7.961 8.240 0.034 0.000 0.446 45 T N 3.260 117.869 114.554 0.092 0.000 2.667 45 T HA 0.149 4.449 4.350 -0.084 0.000 0.305 45 T C -0.390 174.307 174.700 -0.007 0.000 1.022 45 T CA -2.057 60.051 62.100 0.013 0.000 0.995 45 T CB -0.693 68.247 68.868 0.120 0.000 1.026 45 T HN 0.048 8.426 8.240 0.231 0.000 0.527 46 P HA 0.035 4.416 4.420 -0.065 0.000 0.256 46 P C -0.813 176.466 177.300 -0.036 0.000 1.688 46 P CA -0.612 62.463 63.100 -0.041 0.000 1.162 46 P CB -1.723 29.957 31.700 -0.033 0.000 1.870 47 V N -0.346 119.521 119.914 -0.077 0.000 2.613 47 V HA -0.348 3.785 4.120 0.021 0.000 0.289 47 V C -0.251 175.828 176.094 -0.025 0.000 0.985 47 V CA 0.524 62.776 62.300 -0.079 0.000 1.181 47 V CB -1.052 30.636 31.823 -0.225 0.000 0.883 47 V HN -0.163 7.946 8.190 -0.095 0.024 0.465 48 V N 9.785 129.772 119.914 0.122 0.000 2.686 48 V HA 0.242 4.439 4.120 0.128 0.000 0.295 48 V C -1.575 174.732 176.094 0.354 0.000 1.055 48 V CA -2.179 60.230 62.300 0.182 0.000 1.050 48 V CB 1.879 33.797 31.823 0.158 0.000 0.984 48 V HN 0.294 8.564 8.190 0.133 0.000 0.482 49 P HA 0.086 4.950 4.420 0.526 -0.129 0.271 49 P C -1.517 175.984 177.300 0.336 0.000 1.220 49 P CA -0.560 62.756 63.100 0.361 0.000 0.768 49 P CB 0.357 32.190 31.700 0.220 0.000 0.848 50 F N 5.322 125.343 119.950 0.119 0.000 2.601 50 F HA 0.383 4.984 4.527 0.124 0.000 0.309 50 F C -3.145 172.672 175.800 0.029 0.000 1.089 50 F CA -1.611 56.466 58.000 0.128 0.000 0.940 50 F CB 3.361 42.501 39.000 0.234 0.000 1.273 50 F HN 0.469 8.871 8.300 0.169 0.000 0.450 51 R N 3.135 123.285 120.500 -0.584 0.000 2.764 51 R HA 0.394 4.145 4.340 -0.983 0.000 0.270 51 R C -1.892 174.069 176.300 -0.566 0.000 1.014 51 R CA -1.366 54.277 56.100 -0.762 0.000 0.904 51 R CB 3.538 33.516 30.300 -0.538 0.000 1.236 51 R HN 0.022 8.226 8.270 -0.109 0.000 0.466 52 I N 0.578 120.940 120.570 -0.346 0.000 2.428 52 I HA 0.138 4.181 4.170 -0.213 0.000 0.279 52 I C -1.309 174.757 176.117 -0.085 0.000 1.040 52 I CA -0.913 60.275 61.300 -0.187 0.000 1.171 52 I CB 1.550 39.412 38.000 -0.230 0.000 1.312 52 I HN 0.460 8.465 8.210 -0.341 0.000 0.470 53 L N 8.529 129.694 121.223 -0.097 0.000 2.433 53 L HA 0.040 4.484 4.340 -0.056 -0.138 0.275 53 L C -1.406 175.496 176.870 0.053 0.000 1.128 53 L CA -0.180 54.637 54.840 -0.039 0.000 0.875 53 L CB 0.859 42.881 42.059 -0.061 0.000 1.171 53 L HN 0.388 8.530 8.230 -0.146 0.000 0.463 54 L N 7.753 129.034 121.223 0.096 0.000 2.265 54 L HA 0.350 4.780 4.340 0.150 0.000 0.289 54 L C -1.039 175.881 176.870 0.084 0.000 1.033 54 L CA -1.451 53.470 54.840 0.134 0.000 0.814 54 L CB -1.087 41.093 42.059 0.202 0.000 1.203 54 L HN 0.475 8.640 8.230 0.082 0.115 0.423 55 S N 1.832 117.576 115.700 0.074 0.000 2.578 55 S HA 0.346 4.841 4.470 0.042 0.000 0.272 55 S C -2.791 171.840 174.600 0.051 0.000 1.145 55 S CA -2.757 55.472 58.200 0.049 0.000 0.835 55 S CB 2.279 65.499 63.200 0.034 0.000 1.104 55 S HN 0.102 8.466 8.310 0.091 0.000 0.458 56 P HA 0.110 4.549 4.420 0.031 0.000 0.272 56 P C -1.762 175.556 177.300 0.030 0.000 1.230 56 P CA -0.030 63.092 63.100 0.036 0.000 0.788 56 P CB 1.188 32.913 31.700 0.041 0.000 0.949 57 c N -2.528 116.084 118.600 0.020 0.000 2.771 57 c HA 0.281 4.843 4.570 -0.013 0.000 0.333 57 c C 0.880 174.977 174.090 0.012 0.000 1.267 57 c CA -1.003 55.325 56.329 -0.002 0.000 1.721 57 c CB 3.990 46.489 42.510 -0.019 0.000 2.222 57 c HN 0.196 8.439 8.230 0.020 0.000 0.485 58 G N -0.511 108.289 108.800 0.001 0.000 2.582 58 G HA2 0.054 4.030 3.960 0.027 0.000 0.232 58 G HA3 0.054 4.072 3.960 0.097 0.000 0.232 58 G C -1.503 173.212 174.900 -0.308 0.000 1.458 58 G CA -0.626 44.439 45.100 -0.058 0.000 1.062 58 G HN 0.372 8.641 8.290 -0.034 0.000 0.566 59 N N -1.213 117.161 118.700 -0.543 0.000 2.159 59 N HA 0.092 4.643 4.740 -0.316 0.000 0.217 59 N C -1.862 173.505 175.510 -0.239 0.000 1.223 59 N CA -0.302 52.478 53.050 -0.450 0.000 0.896 59 N CB 1.311 39.388 38.487 -0.683 0.000 1.064 59 N HN 0.350 8.328 8.380 -0.669 0.000 0.518 60 A N 0.892 123.616 122.820 -0.160 0.000 2.499 60 A HA 0.294 4.571 4.320 -0.072 0.000 0.280 60 A C -2.595 174.959 177.584 -0.049 0.000 1.135 60 A CA -0.703 51.286 52.037 -0.080 0.000 0.744 60 A CB 1.090 20.060 19.000 -0.051 0.000 1.213 60 A HN -0.474 7.583 8.150 -0.155 0.000 0.434 61 V N -1.245 118.651 119.914 -0.030 0.000 3.114 61 V HA 0.246 4.366 4.120 -0.001 0.000 0.308 61 V C -1.770 174.336 176.094 0.020 0.000 1.168 61 V CA -1.472 60.827 62.300 -0.002 0.000 1.015 61 V CB 3.401 35.227 31.823 0.005 0.000 1.050 61 V HN -0.298 7.871 8.190 -0.034 0.000 0.433 62 S N 1.013 116.739 115.700 0.043 0.000 2.628 62 S HA 0.232 4.727 4.470 0.041 0.000 0.246 62 S C -0.392 174.257 174.600 0.082 0.000 1.062 62 S CA 0.297 58.527 58.200 0.051 0.000 1.028 62 S CB 1.102 64.325 63.200 0.039 0.000 0.985 62 S HN 0.318 8.658 8.310 0.050 0.000 0.551 63 A N -1.930 120.958 122.820 0.113 0.000 2.325 63 A HA 0.089 4.660 4.320 0.216 -0.121 0.293 63 A C -2.894 174.780 177.584 0.150 0.000 0.966 63 A CA -0.338 51.800 52.037 0.169 0.000 0.541 63 A CB 0.547 19.652 19.000 0.174 0.000 1.523 63 A HN -0.801 7.411 8.150 0.104 0.000 0.597 64 V N -6.968 113.020 119.914 0.124 0.000 3.105 64 V HA 0.621 4.864 4.120 0.049 -0.093 0.311 64 V C -2.309 173.780 176.094 -0.008 0.000 1.282 64 V CA -3.282 59.004 62.300 -0.024 0.000 1.065 64 V CB 3.428 35.089 31.823 -0.270 0.000 1.136 64 V HN 0.219 8.548 8.190 0.230 0.000 0.469 65 K N -2.157 118.177 120.400 -0.110 0.000 2.385 65 K HA 0.351 4.724 4.320 0.087 0.000 0.248 65 K C -1.697 174.775 176.600 -0.213 0.000 0.955 65 K CA -2.013 54.245 56.287 -0.049 0.000 0.816 65 K CB 3.081 35.577 32.500 -0.008 0.000 1.250 65 K HN -0.528 7.498 8.250 -0.224 0.089 0.434 66 V N 1.711 121.566 119.914 -0.100 0.000 3.264 66 V HA 0.256 4.223 4.120 -0.464 -0.125 0.304 66 V C -0.989 175.030 176.094 -0.125 0.000 1.086 66 V CA -1.332 60.849 62.300 -0.199 0.000 1.090 66 V CB 2.178 34.026 31.823 0.043 0.000 1.112 66 V HN -0.062 8.186 8.190 0.097 0.000 0.472 67 G N 1.742 110.441 108.800 -0.168 0.000 3.317 67 G HA2 0.205 4.156 3.960 -0.013 0.000 0.308 67 G HA3 0.205 4.098 3.960 -0.110 0.000 0.308 67 G C -1.751 173.079 174.900 -0.116 0.000 1.535 67 G CA -0.161 44.883 45.100 -0.094 0.000 0.788 67 G HN -0.021 8.102 8.290 -0.277 0.000 0.478 68 F N 5.655 125.631 119.950 0.043 0.000 2.456 68 F HA 0.617 5.400 4.527 0.102 -0.195 0.358 68 F C -0.506 175.310 175.800 0.027 0.000 1.095 68 F CA -0.202 57.839 58.000 0.068 0.000 1.216 68 F CB 1.568 40.618 39.000 0.084 0.000 1.125 68 F HN 0.272 8.697 8.300 0.208 0.000 0.549 69 T N 2.621 117.304 114.554 0.216 0.000 2.993 69 T HA 0.347 4.780 4.350 0.138 0.000 0.312 69 T C -2.357 172.408 174.700 0.110 0.000 1.115 69 T CA -1.268 60.906 62.100 0.124 0.000 1.027 69 T CB 2.637 71.529 68.868 0.040 0.000 1.116 69 T HN 0.736 9.112 8.240 0.226 0.000 0.464 70 G N 1.523 110.371 108.800 0.081 0.000 2.663 70 G HA2 0.374 4.360 3.960 0.044 0.000 0.299 70 G HA3 0.374 4.371 3.960 0.062 0.000 0.299 70 G C -1.901 173.016 174.900 0.029 0.000 1.372 70 G CA -0.498 44.635 45.100 0.055 0.000 0.781 70 G HN -0.119 8.214 8.290 0.071 0.000 0.491 71 V N 1.364 121.288 119.914 0.016 0.000 2.425 71 V HA -0.024 4.101 4.120 0.008 0.000 0.276 71 V C -1.506 174.593 176.094 0.008 0.000 1.017 71 V CA -0.452 61.853 62.300 0.009 0.000 1.062 71 V CB 0.562 32.387 31.823 0.003 0.000 0.997 71 V HN 0.117 8.316 8.190 0.015 0.000 0.476 72 A N 8.925 131.750 122.820 0.008 0.000 2.331 72 A HA 0.130 4.604 4.320 0.008 -0.149 0.283 72 A C -0.988 176.596 177.584 0.000 0.000 1.142 72 A CA -1.122 50.919 52.037 0.007 0.000 0.812 72 A CB 1.130 20.136 19.000 0.010 0.000 1.074 72 A HN 0.350 8.505 8.150 0.008 0.000 0.497 73 D N 3.008 123.411 120.400 0.006 0.000 2.372 73 D HA -0.048 4.598 4.640 0.009 0.000 0.243 73 D C 1.324 177.611 176.300 -0.021 0.000 1.121 73 D CA 0.137 54.145 54.000 0.014 0.000 0.898 73 D CB 1.973 42.806 40.800 0.056 0.000 1.202 73 D HN -0.122 8.253 8.370 0.009 0.000 0.428 74 S N 3.485 119.129 115.700 -0.093 0.000 2.400 74 S HA -0.251 4.144 4.470 -0.124 0.000 0.232 74 S C 1.423 175.878 174.600 -0.241 0.000 1.025 74 S CA 2.815 60.895 58.200 -0.199 0.000 0.993 74 S CB 0.044 63.052 63.200 -0.320 0.000 0.808 74 S HN 0.402 8.667 8.310 -0.075 0.000 0.478 75 H N 0.605 119.665 119.070 -0.016 0.000 2.268 75 H HA -0.098 4.451 4.556 -0.012 0.000 0.304 75 H C 0.473 175.793 175.328 -0.012 0.000 1.064 75 H CA 2.726 58.765 56.048 -0.016 0.000 1.316 75 H CB 0.508 30.256 29.762 -0.023 0.000 1.386 75 H HN -0.094 8.485 8.280 -0.110 -0.364 0.496 76 N N -0.596 118.172 118.700 0.112 0.000 2.664 76 N HA 0.137 4.902 4.740 0.041 0.000 0.257 76 N C -1.349 174.182 175.510 0.036 0.000 1.108 76 N CA -0.753 52.331 53.050 0.057 0.000 0.822 76 N CB 1.081 39.599 38.487 0.052 0.000 1.199 76 N HN -0.340 8.124 8.380 0.140 0.000 0.529 77 A N 3.509 126.340 122.820 0.019 0.000 2.225 77 A HA -0.217 4.343 4.320 0.010 -0.234 0.215 77 A C 0.285 177.878 177.584 0.016 0.000 1.164 77 A CA 2.103 54.147 52.037 0.012 0.000 0.710 77 A CB 0.048 19.050 19.000 0.004 0.000 0.780 77 A HN 0.488 8.646 8.150 0.014 0.000 0.473 78 N N -3.738 114.973 118.700 0.019 0.000 2.453 78 N HA -0.123 4.631 4.740 0.023 0.000 0.183 78 N C -0.388 175.126 175.510 0.007 0.000 1.041 78 N CA 1.331 54.392 53.050 0.019 0.000 0.900 78 N CB -0.128 38.372 38.487 0.022 0.000 0.961 78 N HN -0.094 8.232 8.380 0.021 0.066 0.443 79 L N -1.320 119.905 121.223 0.003 0.000 2.322 79 L HA 0.310 4.634 4.340 -0.027 0.000 0.279 79 L C -1.291 175.569 176.870 -0.015 0.000 1.036 79 L CA -1.975 52.857 54.840 -0.014 0.000 0.807 79 L CB 0.747 42.797 42.059 -0.016 0.000 1.226 79 L HN 0.111 8.181 8.230 0.012 0.168 0.433 80 L N 3.576 124.778 121.223 -0.035 0.000 2.369 80 L HA 0.143 4.588 4.340 -0.014 -0.113 0.279 80 L C -1.025 175.829 176.870 -0.026 0.000 1.108 80 L CA -0.811 54.010 54.840 -0.032 0.000 0.852 80 L CB 0.971 42.993 42.059 -0.062 0.000 1.169 80 L HN -0.258 7.940 8.230 -0.053 0.000 0.452 81 A N 6.507 129.320 122.820 -0.010 0.000 2.386 81 A HA 0.051 4.368 4.320 -0.004 0.000 0.246 81 A C -1.165 176.414 177.584 -0.009 0.000 1.089 81 A CA 0.293 52.328 52.037 -0.004 0.000 0.790 81 A CB 1.146 20.148 19.000 0.004 0.000 1.042 81 A HN 0.687 8.729 8.150 -0.005 0.106 0.497 82 L N -3.821 117.400 121.223 -0.003 0.000 2.642 82 L HA 0.154 4.584 4.340 -0.004 -0.093 0.229 82 L C 1.947 178.824 176.870 0.012 0.000 1.179 82 L CA -0.468 54.375 54.840 0.004 0.000 0.834 82 L CB 0.592 42.659 42.059 0.014 0.000 1.515 82 L HN 0.118 8.349 8.230 0.001 0.000 0.512 83 E N -1.063 119.150 120.200 0.023 0.000 2.401 83 E HA -0.393 3.962 4.350 0.008 0.000 0.199 83 E C -0.016 176.599 176.600 0.025 0.000 1.023 83 E CA 1.595 58.008 56.400 0.021 0.000 0.859 83 E CB -0.167 29.548 29.700 0.025 0.000 0.780 83 E HN -0.021 8.359 8.360 0.032 0.000 0.523 84 N N -1.860 116.858 118.700 0.029 0.000 2.610 84 N HA -0.273 4.480 4.740 0.022 0.000 0.271 84 N C -1.737 173.790 175.510 0.027 0.000 1.146 84 N CA 0.959 54.022 53.050 0.023 0.000 0.711 84 N CB -0.526 37.969 38.487 0.013 0.000 0.883 84 N HN 0.079 8.412 8.380 0.032 0.066 0.548 85 T N 0.148 114.725 114.554 0.039 0.000 2.896 85 T HA 0.246 4.614 4.350 0.030 0.000 0.297 85 T C 1.363 176.078 174.700 0.026 0.000 1.108 85 T CA -1.933 60.192 62.100 0.042 0.000 1.004 85 T CB 1.683 70.595 68.868 0.074 0.000 1.159 85 T HN -0.728 7.538 8.240 0.042 0.000 0.499 86 V N 1.849 121.772 119.914 0.014 0.000 2.317 86 V HA -0.335 3.779 4.120 -0.011 0.000 0.251 86 V C -0.094 175.974 176.094 -0.044 0.000 1.065 86 V CA 2.872 65.168 62.300 -0.008 0.000 1.049 86 V CB 0.159 31.981 31.823 -0.002 0.000 0.651 86 V HN 0.299 8.501 8.190 0.020 0.000 0.450 87 S N -1.314 114.353 115.700 -0.055 0.000 2.528 87 S HA -0.085 4.252 4.470 -0.222 0.000 0.219 87 S C -0.907 173.408 174.600 -0.474 0.000 0.985 87 S CA 1.169 59.229 58.200 -0.234 0.000 0.914 87 S CB 0.092 63.220 63.200 -0.120 0.000 0.776 87 S HN -0.303 7.993 8.310 0.010 0.020 0.526 88 A N 0.811 123.563 122.820 -0.112 0.000 2.328 88 A HA 0.426 4.946 4.320 0.021 -0.188 0.284 88 A C -0.916 176.635 177.584 -0.056 0.000 1.160 88 A CA -1.621 50.411 52.037 -0.008 0.000 0.818 88 A CB 1.021 20.084 19.000 0.104 0.000 1.087 88 A HN -0.441 7.505 8.150 -0.029 0.186 0.504 89 A N 3.834 126.618 122.820 -0.060 0.000 2.429 89 A HA -0.061 4.208 4.320 -0.085 0.000 0.242 89 A C -0.220 177.329 177.584 -0.059 0.000 1.088 89 A CA 0.275 52.268 52.037 -0.074 0.000 0.784 89 A CB 0.502 19.451 19.000 -0.085 0.000 1.038 89 A HN -0.317 7.814 8.150 -0.032 0.000 0.501 90 S N 1.440 117.101 115.700 -0.064 0.000 2.693 90 S HA -0.003 4.450 4.470 -0.029 0.000 0.276 90 S C 0.892 175.429 174.600 -0.104 0.000 1.192 90 S CA 0.071 58.237 58.200 -0.056 0.000 0.994 90 S CB 0.937 64.112 63.200 -0.042 0.000 1.012 90 S HN 0.265 8.530 8.310 -0.074 0.000 0.550 91 G N -0.216 108.509 108.800 -0.125 0.000 2.380 91 G HA2 -0.234 3.515 3.960 -0.352 0.000 0.298 91 G HA3 -0.234 3.564 3.960 -0.270 0.000 0.298 91 G C -1.187 173.561 174.900 -0.254 0.000 0.989 91 G CA 1.110 46.061 45.100 -0.248 0.000 0.836 91 G HN 0.307 8.555 8.290 -0.071 0.000 0.511 92 L N -0.879 120.209 121.223 -0.224 0.000 2.481 92 L HA 0.408 4.689 4.340 -0.435 -0.202 0.255 92 L C -0.881 175.864 176.870 -0.209 0.000 1.192 92 L CA -1.394 53.255 54.840 -0.318 0.000 0.924 92 L CB 1.293 43.139 42.059 -0.355 0.000 1.179 92 L HN -0.402 7.681 8.230 -0.156 0.052 0.491 93 G N 0.433 109.133 108.800 -0.167 0.000 2.539 93 G HA2 0.288 4.205 3.960 -0.072 0.000 0.258 93 G HA3 0.288 4.207 3.960 -0.069 0.000 0.258 93 G C -1.415 173.419 174.900 -0.110 0.000 1.202 93 G CA -1.144 43.896 45.100 -0.099 0.000 0.851 93 G HN 0.060 8.232 8.290 -0.195 0.000 0.556 94 I N -0.110 120.411 120.570 -0.081 0.000 2.496 94 I HA -0.055 4.173 4.170 -0.078 -0.105 0.285 94 I C -1.337 174.737 176.117 -0.073 0.000 1.080 94 I CA -0.247 61.005 61.300 -0.080 0.000 1.404 94 I CB 0.099 38.048 38.000 -0.084 0.000 1.403 94 I HN 0.550 8.615 8.210 -0.066 0.105 0.539 95 Q N 7.875 127.643 119.800 -0.053 0.000 2.509 95 Q HA 0.255 4.576 4.340 -0.031 0.000 0.236 95 Q C -1.915 174.071 176.000 -0.022 0.000 1.073 95 Q CA -1.703 54.086 55.803 -0.024 0.000 0.867 95 Q CB 0.962 29.708 28.738 0.012 0.000 1.181 95 Q HN 0.621 8.751 8.270 -0.043 0.114 0.526 96 L N 5.817 126.991 121.223 -0.081 0.000 2.265 96 L HA 0.328 4.785 4.340 -0.036 -0.138 0.288 96 L C -1.361 175.495 176.870 -0.022 0.000 1.058 96 L CA -0.425 54.350 54.840 -0.108 0.000 0.809 96 L CB 0.740 42.576 42.059 -0.371 0.000 1.179 96 L HN 0.325 8.496 8.230 -0.098 0.000 0.429 97 L N 0.649 121.935 121.223 0.105 0.000 2.327 97 L HA 0.617 5.103 4.340 0.077 -0.100 0.258 97 L C -0.990 175.977 176.870 0.162 0.000 1.024 97 L CA -1.706 53.217 54.840 0.137 0.000 0.825 97 L CB 3.543 45.726 42.059 0.207 0.000 1.386 97 L HN 0.741 9.089 8.230 0.197 0.000 0.417 98 N N 0.133 118.913 118.700 0.132 0.000 2.364 98 N HA 0.054 5.011 4.740 0.362 0.000 0.264 98 N C 1.005 176.562 175.510 0.078 0.000 1.263 98 N CA -0.295 52.867 53.050 0.187 0.000 0.959 98 N CB 0.938 39.520 38.487 0.157 0.000 1.204 98 N HN -0.329 8.119 8.380 0.114 0.000 0.550 99 E N -1.027 119.114 120.200 -0.099 0.000 2.267 99 E HA -0.365 3.561 4.350 -0.707 0.000 0.197 99 E C 0.790 177.468 176.600 0.130 0.000 0.998 99 E CA 2.796 59.067 56.400 -0.215 0.000 0.830 99 E CB -0.721 28.826 29.700 -0.254 0.000 0.751 99 E HN 0.074 8.408 8.360 -0.043 0.000 0.491 100 Q N -2.383 117.479 119.800 0.104 0.000 2.466 100 Q HA -0.131 4.271 4.340 0.104 0.000 0.210 100 Q C -0.664 175.425 176.000 0.148 0.000 0.961 100 Q CA 0.004 55.874 55.803 0.111 0.000 0.953 100 Q CB -1.113 27.667 28.738 0.070 0.000 1.011 100 Q HN -0.327 7.939 8.270 0.070 0.046 0.516 101 Q N -7.175 112.766 119.800 0.234 0.000 2.461 101 Q HA -0.488 4.102 4.340 0.324 -0.056 0.264 101 Q C -1.446 174.636 176.000 0.136 0.000 1.085 101 Q CA 0.841 56.779 55.803 0.224 0.000 1.006 101 Q CB -2.912 25.920 28.738 0.157 0.000 1.437 101 Q HN -0.207 8.044 8.270 0.305 0.203 0.514 102 N N -0.652 118.121 118.700 0.120 0.000 2.434 102 N HA -0.013 4.772 4.740 0.074 0.000 0.272 102 N C -0.517 175.040 175.510 0.079 0.000 1.040 102 N CA -0.416 52.685 53.050 0.086 0.000 0.956 102 N CB 1.489 40.021 38.487 0.076 0.000 1.108 102 N HN -0.628 7.793 8.380 0.135 0.039 0.481 103 Q N 4.439 124.276 119.800 0.062 0.000 2.247 103 Q HA -0.179 4.189 4.340 0.047 0.000 0.288 103 Q C -0.727 175.301 176.000 0.046 0.000 1.079 103 Q CA 1.230 57.062 55.803 0.048 0.000 0.932 103 Q CB 0.292 29.053 28.738 0.039 0.000 1.133 103 Q HN 0.420 8.725 8.270 0.058 0.000 0.377 104 I N 9.522 130.114 120.570 0.037 0.000 2.330 104 I HA 0.311 4.518 4.170 0.062 0.000 0.289 104 I C -2.099 174.042 176.117 0.039 0.000 1.001 104 I CA -3.117 58.211 61.300 0.047 0.000 1.193 104 I CB 1.914 39.944 38.000 0.050 0.000 1.345 104 I HN -0.175 8.048 8.210 0.022 0.000 0.461 105 P HA 0.065 4.676 4.420 0.036 -0.169 0.275 105 P C -1.061 176.289 177.300 0.083 0.000 1.266 105 P CA -0.764 62.368 63.100 0.053 0.000 0.793 105 P CB 1.006 32.736 31.700 0.049 0.000 1.074 106 L N -3.931 117.336 121.223 0.075 0.000 2.496 106 L HA 0.245 4.824 4.340 0.169 -0.138 0.189 106 L C 1.763 178.684 176.870 0.085 0.000 1.308 106 L CA 0.485 55.388 54.840 0.105 0.000 0.912 106 L CB -0.056 42.053 42.059 0.084 0.000 1.148 106 L HN 0.088 8.350 8.230 0.053 0.000 0.537 107 N N -1.824 116.910 118.700 0.056 0.000 2.696 107 N HA -0.186 4.579 4.740 0.042 0.000 0.196 107 N C -0.483 175.050 175.510 0.037 0.000 1.220 107 N CA 0.949 54.023 53.050 0.041 0.000 0.940 107 N CB -0.870 37.635 38.487 0.029 0.000 0.999 107 N HN 0.005 8.415 8.380 0.050 0.000 0.447 108 A N 1.205 124.050 122.820 0.042 0.000 2.507 108 A HA -0.027 4.309 4.320 0.027 0.000 0.235 108 A C -1.210 176.393 177.584 0.031 0.000 1.070 108 A CA -1.336 50.723 52.037 0.036 0.000 0.768 108 A CB -0.572 18.455 19.000 0.044 0.000 1.011 108 A HN -0.715 7.343 8.150 0.053 0.124 0.502 109 P HA 0.074 4.503 4.420 0.014 0.000 0.279 109 P C 1.027 178.327 177.300 -0.001 0.000 1.282 109 P CA -0.980 62.121 63.100 0.001 0.000 0.788 109 P CB 1.280 32.962 31.700 -0.029 0.000 1.139 110 S N -0.925 114.761 115.700 -0.023 0.000 2.528 110 S HA -0.313 4.311 4.470 -0.008 -0.159 0.244 110 S C 1.896 176.491 174.600 -0.009 0.000 0.982 110 S CA 2.457 60.642 58.200 -0.025 0.000 0.953 110 S CB -0.595 62.569 63.200 -0.061 0.000 0.754 110 S HN 0.616 8.900 8.310 -0.044 0.000 0.529 111 S N 1.376 117.068 115.700 -0.013 0.000 2.461 111 S HA -0.089 4.381 4.470 0.000 0.000 0.228 111 S C 0.256 174.868 174.600 0.020 0.000 1.005 111 S CA 1.778 59.977 58.200 -0.002 0.000 0.942 111 S CB -0.143 63.048 63.200 -0.015 0.000 0.776 111 S HN -0.249 7.977 8.310 -0.024 0.069 0.514 112 A N 0.113 122.950 122.820 0.028 0.000 2.251 112 A HA 0.126 4.466 4.320 0.032 0.000 0.209 112 A C -0.925 176.692 177.584 0.055 0.000 1.187 112 A CA 0.961 53.021 52.037 0.038 0.000 0.823 112 A CB 0.607 19.629 19.000 0.037 0.000 0.846 112 A HN -0.451 7.714 8.150 0.026 0.000 0.486 113 L N -6.651 114.613 121.223 0.067 0.000 2.503 113 L HA 0.464 4.858 4.340 0.089 0.000 0.248 113 L C -2.235 174.702 176.870 0.111 0.000 1.126 113 L CA -1.635 53.262 54.840 0.095 0.000 0.929 113 L CB 1.603 43.732 42.059 0.117 0.000 1.544 113 L HN -0.860 7.335 8.230 0.058 0.070 0.404 114 S N -2.422 113.376 115.700 0.163 0.000 2.880 114 S HA 0.266 4.835 4.470 0.164 0.000 0.308 114 S C -1.756 173.068 174.600 0.373 0.000 1.195 114 S CA -0.729 57.590 58.200 0.198 0.000 0.866 114 S CB 2.109 65.396 63.200 0.145 0.000 1.254 114 S HN -0.185 8.232 8.310 0.179 0.000 0.571 115 W N -1.118 120.216 121.300 0.056 0.000 2.959 115 W HA 0.106 4.827 4.660 0.101 0.000 0.358 115 W C -1.941 174.614 176.519 0.060 0.000 1.228 115 W CA -0.078 57.312 57.345 0.075 0.000 1.183 115 W CB 3.620 33.125 29.460 0.075 0.000 1.467 115 W HN 0.236 8.601 8.180 0.308 0.000 0.578 116 T N 1.570 116.199 114.554 0.125 0.000 2.882 116 T HA 0.107 4.485 4.350 0.047 0.000 0.287 116 T C -0.513 174.311 174.700 0.208 0.000 1.014 116 T CA 0.027 62.163 62.100 0.059 0.000 1.049 116 T CB 0.843 69.620 68.868 -0.153 0.000 1.001 116 T HN -0.076 7.974 8.240 -0.318 0.000 0.525 117 T N 5.360 119.984 114.554 0.116 0.000 2.734 117 T HA -0.274 4.153 4.350 0.128 0.000 0.269 117 T C 0.242 175.003 174.700 0.103 0.000 0.964 117 T CA 0.898 63.061 62.100 0.104 0.000 1.226 117 T CB -0.335 68.566 68.868 0.055 0.000 0.910 117 T HN 0.201 8.481 8.240 0.067 0.000 0.534 118 L N 7.307 128.621 121.223 0.151 0.000 2.540 118 L HA -0.298 4.232 4.340 0.153 -0.098 0.276 118 L C 0.717 177.622 176.870 0.058 0.000 1.212 118 L CA 0.333 55.253 54.840 0.134 0.000 0.893 118 L CB -0.454 41.694 42.059 0.148 0.000 1.138 118 L HN -0.021 8.316 8.230 0.178 0.000 0.491 119 T N 7.939 122.513 114.554 0.034 0.000 2.918 119 T HA 0.117 4.464 4.350 -0.004 0.000 0.302 119 T C -1.603 173.093 174.700 -0.007 0.000 1.045 119 T CA -0.558 61.544 62.100 0.003 0.000 1.114 119 T CB -0.351 68.512 68.868 -0.009 0.000 0.965 119 T HN 0.313 8.928 8.240 0.043 -0.349 0.540 120 P HA -0.204 4.223 4.420 -0.064 -0.046 0.272 120 P C 0.503 177.772 177.300 -0.052 0.000 1.230 120 P CA -0.455 62.607 63.100 -0.064 0.000 0.788 120 P CB 0.837 32.474 31.700 -0.105 0.000 0.949 121 G N 0.097 108.864 108.800 -0.055 0.000 2.379 121 G HA2 -0.492 3.619 3.960 -0.021 0.000 0.297 121 G HA3 -0.492 3.537 3.960 -0.051 -0.099 0.297 121 G C -1.686 173.204 174.900 -0.017 0.000 1.004 121 G CA 1.057 46.135 45.100 -0.036 0.000 0.921 121 G HN 0.372 8.617 8.290 -0.076 0.000 0.511 122 K N -2.289 118.106 120.400 -0.009 0.000 2.495 122 K HA 0.643 4.959 4.320 -0.007 0.000 0.268 122 K C -2.322 174.279 176.600 0.001 0.000 1.008 122 K CA -3.381 52.901 56.287 -0.007 0.000 0.882 122 K CB 1.842 34.333 32.500 -0.016 0.000 1.443 122 K HN -0.626 7.622 8.250 -0.004 0.000 0.447 123 P HA 0.028 4.564 4.420 0.006 -0.112 0.241 123 P C -1.150 176.138 177.300 -0.019 0.000 1.760 123 P CA -0.623 62.472 63.100 -0.008 0.000 1.081 123 P CB -1.787 29.901 31.700 -0.021 0.000 1.975 124 N N 4.410 123.116 118.700 0.010 0.000 2.423 124 N HA -0.168 4.563 4.740 -0.014 0.000 0.275 124 N C -1.139 174.361 175.510 -0.016 0.000 1.283 124 N CA 1.523 54.583 53.050 0.017 0.000 0.932 124 N CB 0.258 38.802 38.487 0.095 0.000 1.185 124 N HN 0.084 8.444 8.380 0.029 0.038 0.483 125 T N 6.466 120.951 114.554 -0.116 0.000 2.892 125 T HA 0.222 4.428 4.350 -0.241 0.000 0.311 125 T C -0.760 173.713 174.700 -0.378 0.000 1.033 125 T CA -0.617 61.341 62.100 -0.237 0.000 0.991 125 T CB 0.987 69.730 68.868 -0.209 0.000 0.981 125 T HN -0.347 7.827 8.240 -0.110 0.000 0.457 126 L N 4.823 125.680 121.223 -0.610 0.000 2.482 126 L HA 0.032 3.971 4.340 -0.668 0.000 0.242 126 L C -1.063 175.112 176.870 -1.158 0.000 1.210 126 L CA -0.409 53.873 54.840 -0.929 0.000 0.819 126 L CB 0.950 42.189 42.059 -1.366 0.000 1.203 126 L HN 0.139 8.018 8.230 -0.584 0.000 0.495 127 N N -1.449 116.548 118.700 -1.172 0.000 2.342 127 N HA 0.206 4.401 4.740 -0.909 0.000 0.293 127 N C -1.820 173.009 175.510 -1.135 0.000 1.026 127 N CA -0.489 51.973 53.050 -0.981 0.000 0.857 127 N CB 3.101 41.249 38.487 -0.566 0.000 1.256 127 N HN -0.134 7.663 8.380 -0.972 0.000 0.484 128 F N -0.196 119.365 119.950 -0.648 0.000 2.706 128 F HA 0.726 4.887 4.527 -0.577 0.019 0.328 128 F C -1.296 174.171 175.800 -0.553 0.000 1.123 128 F CA -1.948 55.702 58.000 -0.583 0.000 0.978 128 F CB 4.000 42.697 39.000 -0.505 0.000 1.404 128 F HN 0.663 8.523 8.300 -0.733 0.000 0.497 129 Y N -3.447 117.096 120.300 0.406 0.000 2.553 129 Y HA 0.723 5.659 4.550 0.342 -0.181 0.347 129 Y C -1.362 174.753 175.900 0.357 0.000 1.019 129 Y CA -2.050 56.251 58.100 0.335 0.000 1.032 129 Y CB 4.533 43.101 38.460 0.180 0.000 1.284 129 Y HN 0.799 9.196 8.280 0.362 0.100 0.466 130 A N -0.688 122.373 122.820 0.401 0.000 2.393 130 A HA 0.970 5.520 4.320 0.099 -0.170 0.306 130 A C -2.043 175.616 177.584 0.124 0.000 1.050 130 A CA -1.493 50.630 52.037 0.143 0.000 0.724 130 A CB 3.273 22.235 19.000 -0.063 0.000 1.248 130 A HN 0.624 9.032 8.150 0.431 0.000 0.424 131 R N 0.244 120.788 120.500 0.073 0.000 3.619 131 R HA 0.323 4.706 4.340 0.071 0.000 0.259 131 R C -2.474 173.851 176.300 0.042 0.000 1.069 131 R CA -0.574 55.569 56.100 0.072 0.000 0.900 131 R CB 4.077 34.432 30.300 0.091 0.000 1.600 131 R HN 0.842 9.029 8.270 0.044 0.110 0.410 132 L N 0.191 121.458 121.223 0.073 0.000 2.441 132 L HA 0.514 4.933 4.340 -0.068 -0.119 0.270 132 L C -2.612 174.216 176.870 -0.070 0.000 0.973 132 L CA -0.596 54.234 54.840 -0.016 0.000 0.842 132 L CB 3.029 45.101 42.059 0.021 0.000 1.239 132 L HN -0.106 8.210 8.230 0.143 0.000 0.406 133 M N 6.416 125.919 119.600 -0.162 0.000 2.188 133 M HA 0.288 4.766 4.480 -0.004 0.000 0.357 133 M C -2.115 173.977 176.300 -0.347 0.000 1.204 133 M CA -1.689 53.528 55.300 -0.137 0.000 1.095 133 M CB 3.190 35.745 32.600 -0.075 0.000 1.604 133 M HN 0.953 9.038 8.290 -0.164 0.107 0.464 134 A N 5.243 127.897 122.820 -0.276 0.000 2.454 134 A HA 0.289 4.504 4.320 -0.421 -0.148 0.260 134 A C 0.465 177.967 177.584 -0.137 0.000 1.106 134 A CA -0.626 51.266 52.037 -0.242 0.000 0.780 134 A CB 0.565 19.578 19.000 0.021 0.000 1.044 134 A HN 0.016 8.159 8.150 -0.011 0.000 0.498 135 T N -0.121 114.320 114.554 -0.188 0.000 3.022 135 T HA 0.099 4.394 4.350 -0.093 0.000 0.250 135 T C 0.327 174.875 174.700 -0.253 0.000 1.060 135 T CA 0.077 62.072 62.100 -0.176 0.000 1.013 135 T CB 0.581 69.356 68.868 -0.155 0.000 0.982 135 T HN 0.699 8.671 8.240 -0.248 0.119 0.508 136 Q N -1.012 118.642 119.800 -0.244 0.000 2.878 136 Q HA 0.259 4.511 4.340 -0.146 0.000 0.341 136 Q C -2.163 173.776 176.000 -0.101 0.000 0.824 136 Q CA -1.393 54.291 55.803 -0.199 0.000 0.811 136 Q CB 4.162 32.714 28.738 -0.310 0.000 1.364 136 Q HN -0.760 7.381 8.270 -0.215 0.000 0.514 137 V N 0.506 120.379 119.914 -0.067 0.000 2.446 137 V HA 0.516 4.806 4.120 0.003 -0.168 0.257 137 V C -0.966 175.109 176.094 -0.031 0.000 1.036 137 V CA -2.127 60.159 62.300 -0.023 0.000 1.196 137 V CB 0.238 32.058 31.823 -0.006 0.000 1.446 137 V HN 0.311 8.456 8.190 -0.075 0.000 0.558 138 P HA -0.031 4.367 4.420 -0.036 0.000 0.222 138 P C 0.028 177.312 177.300 -0.028 0.000 1.157 138 P CA 0.720 63.794 63.100 -0.044 0.000 0.816 138 P CB 0.440 32.102 31.700 -0.064 0.000 0.813 139 V N -6.794 113.111 119.914 -0.015 0.000 3.301 139 V HA -0.449 3.680 4.120 0.015 0.000 0.170 139 V C -1.943 174.136 176.094 -0.025 0.000 0.500 139 V CA 0.223 62.522 62.300 -0.002 0.000 1.096 139 V CB -1.541 30.288 31.823 0.010 0.000 1.244 139 V HN -0.018 8.165 8.190 -0.012 0.000 1.071 140 T N 2.589 117.120 114.554 -0.039 0.000 2.752 140 T HA -0.029 4.294 4.350 -0.045 0.000 0.295 140 T C -0.583 174.073 174.700 -0.072 0.000 0.923 140 T CA 0.097 62.166 62.100 -0.050 0.000 1.112 140 T CB 0.129 68.969 68.868 -0.047 0.000 0.884 140 T HN -0.504 7.666 8.240 -0.042 0.045 0.525 141 A N 7.156 129.924 122.820 -0.087 0.000 2.475 141 A HA -0.254 3.969 4.320 -0.161 0.000 0.239 141 A C -0.600 176.898 177.584 -0.143 0.000 1.087 141 A CA 0.843 52.796 52.037 -0.140 0.000 0.779 141 A CB 0.599 19.506 19.000 -0.155 0.000 1.036 141 A HN 0.373 8.480 8.150 -0.071 0.000 0.506 142 G N -1.539 107.150 108.800 -0.185 0.000 2.333 142 G HA2 0.103 3.949 3.960 -0.220 0.000 0.288 142 G HA3 0.103 3.974 3.960 -0.208 -0.036 0.288 142 G C -2.625 172.241 174.900 -0.057 0.000 1.286 142 G CA 0.042 45.028 45.100 -0.191 0.000 0.865 142 G HN -0.628 7.493 8.290 -0.281 0.000 0.506 143 H N -2.950 116.205 119.070 0.142 0.000 2.737 143 H HA 0.518 5.272 4.556 0.331 0.000 0.358 143 H C -1.489 173.892 175.328 0.088 0.000 1.187 143 H CA -3.335 52.835 56.048 0.204 0.000 1.221 143 H CB 2.489 32.368 29.762 0.195 0.000 1.799 143 H HN 0.316 8.255 8.280 -0.569 0.000 0.568 144 I N -0.079 120.651 120.570 0.267 0.000 2.339 144 I HA 0.175 4.406 4.170 0.102 0.000 0.290 144 I C -1.151 175.003 176.117 0.062 0.000 0.994 144 I CA -0.827 60.547 61.300 0.124 0.000 1.191 144 I CB 0.933 38.983 38.000 0.083 0.000 1.343 144 I HN -0.374 8.004 8.210 0.281 0.000 0.458 145 N N 6.134 124.854 118.700 0.034 0.000 2.648 145 N HA 0.333 5.180 4.740 -0.046 -0.134 0.272 145 N C -2.026 173.476 175.510 -0.014 0.000 1.118 145 N CA 0.013 53.052 53.050 -0.017 0.000 0.973 145 N CB 3.186 41.648 38.487 -0.041 0.000 1.565 145 N HN 0.307 8.715 8.380 0.047 0.000 0.542 146 A N 1.292 124.090 122.820 -0.036 0.000 2.583 146 A HA 0.447 4.755 4.320 -0.020 0.000 0.289 146 A C -2.466 175.095 177.584 -0.039 0.000 1.151 146 A CA -0.740 51.277 52.037 -0.034 0.000 0.695 146 A CB 3.998 22.971 19.000 -0.045 0.000 1.290 146 A HN 0.197 8.316 8.150 -0.052 0.000 0.419 147 T N -0.333 114.207 114.554 -0.023 0.000 3.193 147 T HA 0.864 5.447 4.350 -0.020 -0.245 0.332 147 T C -2.338 172.372 174.700 0.018 0.000 1.208 147 T CA -0.621 61.472 62.100 -0.012 0.000 1.080 147 T CB 1.611 70.469 68.868 -0.017 0.000 1.180 147 T HN 0.327 8.558 8.240 -0.016 0.000 0.469 148 A N 5.307 128.162 122.820 0.058 0.000 2.567 148 A HA 0.557 4.997 4.320 0.077 -0.073 0.289 148 A C -2.747 174.907 177.584 0.117 0.000 1.177 148 A CA -0.828 51.282 52.037 0.121 0.000 0.694 148 A CB 3.514 22.653 19.000 0.231 0.000 1.292 148 A HN 0.055 8.237 8.150 0.053 0.000 0.425 149 T N -0.505 114.101 114.554 0.086 0.000 2.900 149 T HA 0.933 5.389 4.350 -0.095 -0.162 0.295 149 T C -1.256 173.313 174.700 -0.218 0.000 1.044 149 T CA -2.628 59.404 62.100 -0.112 0.000 0.995 149 T CB 2.644 71.355 68.868 -0.262 0.000 1.072 149 T HN 0.122 8.437 8.240 0.124 0.000 0.473 150 F N 2.803 122.433 119.950 -0.534 0.000 2.396 150 F HA 0.392 4.279 4.527 -1.286 -0.131 0.343 150 F C -0.816 174.691 175.800 -0.489 0.000 1.104 150 F CA -2.788 54.611 58.000 -1.001 0.000 1.161 150 F CB 0.172 38.470 39.000 -1.170 0.000 1.146 150 F HN 0.013 7.682 8.300 -1.051 0.000 0.522 151 T N -1.958 112.376 114.554 -0.368 0.000 2.927 151 T HA 0.088 4.232 4.350 -0.343 0.000 0.281 151 T C -0.665 173.820 174.700 -0.359 0.000 0.998 151 T CA -1.881 60.021 62.100 -0.331 0.000 1.019 151 T CB 1.777 70.469 68.868 -0.295 0.000 1.061 151 T HN 0.744 8.636 8.240 -0.353 0.136 0.518 152 L N 0.487 121.394 121.223 -0.528 0.000 2.298 152 L HA 0.518 4.597 4.340 -0.707 -0.163 0.284 152 L C 0.336 176.711 176.870 -0.825 0.000 1.013 152 L CA -1.624 52.730 54.840 -0.811 0.000 0.824 152 L CB 0.821 42.226 42.059 -1.091 0.000 1.221 152 L HN 0.160 8.157 8.230 -0.552 -0.099 0.418 153 E N 6.237 126.156 120.200 -0.468 0.000 1.842 153 E HA -0.041 4.216 4.350 -0.155 0.000 0.278 153 E C -0.910 175.630 176.600 -0.100 0.000 1.171 153 E CA -1.196 55.079 56.400 -0.209 0.000 1.127 153 E CB -0.802 28.835 29.700 -0.106 0.000 1.100 153 E HN 0.731 8.737 8.360 -0.415 0.106 0.456 154 Y N 1.342 121.660 120.300 0.029 0.000 2.810 154 Y HA -0.286 4.237 4.550 -0.044 0.000 0.332 154 Y C 1.234 177.165 175.900 0.051 0.000 1.243 154 Y CA 0.751 58.855 58.100 0.007 0.000 1.537 154 Y CB -0.247 38.210 38.460 -0.005 0.000 1.265 154 Y HN -0.308 7.622 8.280 -0.517 0.040 0.572 155 Q N 5.168 125.073 119.800 0.175 0.000 3.179 155 Q HA -0.097 4.322 4.340 0.132 0.000 0.328 155 Q C -0.627 175.340 176.000 -0.056 0.000 1.336 155 Q CA -0.699 55.152 55.803 0.080 0.000 0.939 155 Q CB -1.099 27.696 28.738 0.095 0.000 1.658 155 Q HN 0.026 8.405 8.270 0.182 0.000 0.486 156 D N 0.147 120.441 120.400 -0.178 0.000 2.377 156 D HA -0.016 4.748 4.640 -0.127 -0.200 0.245 156 D C 0.608 176.597 176.300 -0.519 0.000 1.196 156 D CA -0.854 52.995 54.000 -0.252 0.000 0.962 156 D CB 1.490 42.200 40.800 -0.149 0.000 1.127 156 D HN -0.269 7.891 8.370 -0.183 0.100 0.471 157 N N 0.203 118.748 118.700 -0.259 0.000 2.571 157 N HA -0.201 4.453 4.740 -0.142 0.000 0.189 157 N C -0.782 174.666 175.510 -0.102 0.000 1.154 157 N CA 0.948 53.902 53.050 -0.159 0.000 0.907 157 N CB 0.419 38.887 38.487 -0.031 0.000 0.977 157 N HN 0.359 8.658 8.380 -0.135 0.000 0.449 158 H N -3.553 115.563 119.070 0.077 0.000 2.741 158 H HA -0.334 4.298 4.556 0.127 0.000 0.305 158 H C -0.463 174.909 175.328 0.073 0.000 1.169 158 H CA 0.857 56.953 56.048 0.080 0.000 1.144 158 H CB -2.910 26.873 29.762 0.034 0.000 1.397 158 H HN -0.277 7.932 8.280 -0.422 -0.182 0.409 159 H N -1.824 117.280 119.070 0.056 0.000 2.387 159 H HA -0.245 4.291 4.556 -0.033 0.000 0.299 159 H C 0.496 175.804 175.328 -0.033 0.000 1.099 159 H CA 2.539 58.567 56.048 -0.032 0.000 1.315 159 H CB 0.455 30.153 29.762 -0.108 0.000 1.380 159 H HN 0.159 8.543 8.280 0.206 0.019 0.513 160 H N -2.765 116.463 119.070 0.264 0.000 2.483 160 H HA 0.135 4.867 4.556 0.293 0.000 0.338 160 H C -0.473 175.015 175.328 0.267 0.000 1.152 160 H CA -0.787 55.413 56.048 0.252 0.000 1.264 160 H CB 1.084 30.958 29.762 0.187 0.000 1.510 160 H HN -0.075 8.395 8.280 0.345 0.017 0.530 161 H N 0.447 119.685 119.070 0.280 0.000 2.897 161 H HA -0.073 4.603 4.556 0.198 0.000 0.347 161 H C 0.513 175.991 175.328 0.249 0.000 1.068 161 H CA 0.453 56.632 56.048 0.217 0.000 1.426 161 H CB 0.488 30.348 29.762 0.163 0.000 1.410 161 H HN 0.185 8.907 8.280 0.737 0.000 0.597 162 H N 4.418 123.607 119.070 0.199 0.000 2.836 162 H HA -0.032 4.630 4.556 0.178 0.000 0.368 162 H C -1.609 173.835 175.328 0.193 0.000 1.164 162 H CA 0.551 56.688 56.048 0.148 0.000 1.425 162 H CB 0.682 30.461 29.762 0.028 0.000 1.414 162 H HN 0.104 8.625 8.280 0.402 0.000 0.614 163 H N 1.971 120.871 119.070 -0.284 0.000 3.161 163 H HA 0.085 4.300 4.556 -0.569 0.000 0.285 163 H C -1.245 173.878 175.328 -0.340 0.000 1.588 163 H CA -0.704 55.113 56.048 -0.384 0.000 1.218 163 H CB 1.574 31.239 29.762 -0.162 0.000 1.841 163 H HN -0.117 8.155 8.280 -0.014 0.000 0.623 164 K N 0.059 119.804 120.400 -1.092 0.000 2.436 164 K HA -0.014 4.025 4.320 -0.468 0.000 0.275 164 K C 0.800 177.192 176.600 -0.347 0.000 0.999 164 K CA 0.562 56.445 56.287 -0.674 0.000 0.980 164 K CB 0.221 32.280 32.500 -0.736 0.000 0.919 164 K HN 0.272 6.927 8.250 -2.657 0.000 0.484 165 Q N 2.036 121.699 119.800 -0.228 0.000 2.119 165 Q HA -0.231 4.106 4.340 -0.005 0.000 0.201 165 Q C -0.332 175.626 176.000 -0.070 0.000 0.972 165 Q CA 1.492 57.240 55.803 -0.092 0.000 0.847 165 Q CB 0.153 28.830 28.738 -0.103 0.000 0.903 165 Q HN 0.657 8.763 8.270 -0.274 0.000 0.433 166 A N -0.145 122.583 122.820 -0.153 0.000 2.515 166 A HA 0.197 4.477 4.320 -0.066 0.000 0.299 166 A C -1.876 175.600 177.584 -0.179 0.000 1.179 166 A CA -0.445 51.515 52.037 -0.129 0.000 0.656 166 A CB 2.046 20.965 19.000 -0.134 0.000 1.306 166 A HN -0.565 7.444 8.150 -0.234 0.000 0.459 167 D N -3.386 116.928 120.400 -0.144 0.000 2.772 167 D HA 0.074 4.606 4.640 -0.180 0.000 0.272 167 D C -0.080 176.119 176.300 -0.168 0.000 1.314 167 D CA -1.120 52.792 54.000 -0.146 0.000 0.835 167 D CB -0.733 40.019 40.800 -0.081 0.000 1.080 167 D HN 0.168 8.475 8.370 -0.105 0.000 0.482 168 S N 0.539 116.073 115.700 -0.277 0.000 2.986 168 S HA -0.221 4.316 4.470 -0.143 -0.153 0.334 168 S C 0.426 174.867 174.600 -0.265 0.000 0.946 168 S CA 0.758 58.747 58.200 -0.352 0.000 1.968 168 S CB -1.390 61.281 63.200 -0.882 0.000 1.320 168 S HN -0.126 7.907 8.310 -0.332 0.077 0.662 169 T N 8.241 122.752 114.554 -0.072 0.000 2.737 169 T HA 0.124 4.616 4.350 -0.048 -0.170 0.296 169 T C -0.159 174.565 174.700 0.039 0.000 0.922 169 T CA 1.114 63.198 62.100 -0.028 0.000 1.079 169 T CB 0.564 69.414 68.868 -0.030 0.000 0.892 169 T HN -0.152 8.065 8.240 -0.039 0.000 0.514 170 I N 9.556 130.187 120.570 0.101 0.000 2.452 170 I HA -0.063 4.136 4.170 0.047 0.000 0.287 170 I C -1.682 174.392 176.117 -0.071 0.000 1.079 170 I CA -0.788 60.569 61.300 0.094 0.000 1.387 170 I CB 0.228 38.432 38.000 0.339 0.000 1.404 170 I HN 0.914 9.075 8.210 0.094 0.105 0.522 171 T N 10.266 124.689 114.554 -0.218 0.000 2.841 171 T HA 0.495 4.946 4.350 -0.127 -0.177 0.283 171 T C -1.318 173.232 174.700 -0.251 0.000 1.000 171 T CA -1.026 60.958 62.100 -0.193 0.000 0.977 171 T CB 2.285 71.051 68.868 -0.171 0.000 0.979 171 T HN 0.045 8.049 8.240 -0.393 0.000 0.446 172 I N 5.545 126.014 120.570 -0.167 0.000 2.509 172 I HA 0.684 4.932 4.170 -0.168 -0.178 0.293 172 I C -1.244 174.824 176.117 -0.083 0.000 1.020 172 I CA -1.337 59.879 61.300 -0.141 0.000 1.088 172 I CB 2.732 40.651 38.000 -0.135 0.000 1.267 172 I HN 0.235 8.370 8.210 -0.125 0.000 0.430 173 R N 2.797 123.265 120.500 -0.054 0.000 2.867 173 R HA 0.900 5.408 4.340 -0.023 -0.182 0.227 173 R C 0.259 176.576 176.300 0.028 0.000 1.372 173 R CA -3.920 52.169 56.100 -0.018 0.000 1.083 173 R CB 1.798 32.086 30.300 -0.021 0.000 1.596 173 R HN 0.325 8.564 8.270 -0.052 0.000 0.522 174 G N -3.476 105.368 108.800 0.072 0.000 2.369 174 G HA2 -0.094 4.109 3.960 0.123 0.000 0.307 174 G HA3 -0.094 3.932 3.960 0.109 0.000 0.307 174 G C -2.930 172.117 174.900 0.244 0.000 1.327 174 G CA -0.052 45.125 45.100 0.128 0.000 0.963 174 G HN -0.113 8.217 8.290 0.067 0.000 0.590 175 Y N -0.009 120.329 120.300 0.063 0.000 2.399 175 Y HA 0.237 4.843 4.550 0.094 0.000 0.327 175 Y C -2.235 173.706 175.900 0.069 0.000 1.111 175 Y CA -1.130 57.013 58.100 0.072 0.000 1.047 175 Y CB 3.406 41.904 38.460 0.062 0.000 1.259 175 Y HN -0.383 8.031 8.280 0.224 0.000 0.434 176 V N 8.732 128.490 119.914 -0.261 0.000 2.415 176 V HA -0.006 4.040 4.120 -0.123 0.000 0.267 176 V C -0.642 175.058 176.094 -0.657 0.000 1.042 176 V CA 0.417 62.540 62.300 -0.295 0.000 1.000 176 V CB -0.045 31.675 31.823 -0.172 0.000 1.015 176 V HN 0.734 8.795 8.190 -0.216 0.000 0.478 177 R N 7.920 128.169 120.500 -0.418 0.000 2.615 177 R HA -0.051 3.958 4.340 -0.552 0.000 0.270 177 R C 0.147 176.320 176.300 -0.211 0.000 1.081 177 R CA -0.995 54.895 56.100 -0.350 0.000 1.154 177 R CB 0.762 30.982 30.300 -0.133 0.000 1.063 177 R HN 0.187 8.420 8.270 -0.215 -0.091 0.519 178 D N -3.277 117.032 120.400 -0.152 0.000 2.328 178 D HA -0.140 4.447 4.640 -0.089 0.000 0.226 178 D C -0.650 175.617 176.300 -0.054 0.000 1.066 178 D CA 0.404 54.352 54.000 -0.087 0.000 0.861 178 D CB 0.003 40.765 40.800 -0.063 0.000 0.912 178 D HN 0.338 8.623 8.370 -0.142 0.000 0.521 179 N N 0.000 118.669 118.700 -0.052 0.000 1.763 179 N HA 0.000 4.718 4.740 -0.037 0.000 0.220 179 N CA 0.000 53.027 53.050 -0.039 0.000 0.885 179 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 179 N HN 0.000 8.233 8.380 -0.069 0.105 0.667