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 1gj8_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHT 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 16 I HA 0.000 4.162 4.170 -0.013 0.000 0.288 16 I C 0.000 176.090 176.117 -0.045 0.000 1.063 16 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 16 I CB 0.000 37.942 38.000 -0.097 0.000 1.214 17 I N 4.459 125.014 120.570 -0.025 0.000 2.353 17 I HA 0.401 4.719 4.170 -0.023 -0.162 0.293 17 I C 0.701 176.787 176.117 -0.051 0.000 0.992 17 I CA -2.390 58.897 61.300 -0.021 0.000 1.268 17 I CB -0.744 37.264 38.000 0.013 0.000 1.387 17 I HN 0.212 8.416 8.210 -0.010 0.000 0.478 18 G N 4.726 113.482 108.800 -0.074 0.000 2.645 18 G HA2 -0.381 3.522 3.960 -0.094 0.000 0.239 18 G HA3 -0.381 3.539 3.960 -0.067 0.000 0.239 18 G C -1.045 173.766 174.900 -0.149 0.000 1.331 18 G CA -0.091 44.953 45.100 -0.094 0.000 0.890 18 G HN 0.278 8.526 8.290 -0.070 0.000 0.572 19 G N 0.954 109.672 108.800 -0.136 0.000 2.627 19 G HA2 -0.387 3.485 3.960 -0.123 0.000 0.214 19 G HA3 -0.387 3.554 3.960 -0.184 -0.091 0.214 19 G C -1.467 173.304 174.900 -0.215 0.000 1.331 19 G CA -0.348 44.654 45.100 -0.163 0.000 0.891 19 G HN -0.080 8.148 8.290 -0.104 0.000 0.539 20 E N -2.137 117.926 120.200 -0.228 0.000 2.359 20 E HA 0.394 4.595 4.350 -0.249 0.000 0.266 20 E C -1.116 175.309 176.600 -0.291 0.000 0.920 20 E CA -2.241 54.027 56.400 -0.219 0.000 0.788 20 E CB 2.668 32.316 29.700 -0.086 0.000 1.279 20 E HN -0.168 8.071 8.360 -0.201 0.000 0.438 21 F N 0.161 120.077 119.950 -0.056 0.000 2.375 21 F HA 0.490 5.088 4.527 -0.089 -0.124 0.333 21 F C 0.778 176.529 175.800 -0.081 0.000 1.104 21 F CA 0.965 58.923 58.000 -0.070 0.000 1.149 21 F CB 1.854 40.827 39.000 -0.046 0.000 1.190 21 F HN 0.258 8.585 8.300 0.045 0.000 0.533 22 T N 0.296 114.903 114.554 0.089 0.000 2.618 22 T HA 0.430 4.788 4.350 0.014 0.000 0.286 22 T C -2.364 172.321 174.700 -0.025 0.000 1.027 22 T CA -2.670 59.427 62.100 -0.006 0.000 1.063 22 T CB 1.345 70.164 68.868 -0.082 0.000 1.440 22 T HN 0.595 8.896 8.240 0.102 0.000 0.505 23 T N -4.491 110.029 114.554 -0.056 0.000 2.901 23 T HA 0.283 4.611 4.350 -0.037 0.000 0.293 23 T C 0.307 174.953 174.700 -0.089 0.000 1.084 23 T CA -2.238 59.831 62.100 -0.051 0.000 1.008 23 T CB 2.572 71.423 68.868 -0.029 0.000 1.170 23 T HN -0.388 7.812 8.240 -0.067 0.000 0.509 24 I N 1.623 122.155 120.570 -0.063 0.000 2.567 24 I HA -0.282 3.815 4.170 -0.120 0.000 0.257 24 I C 1.346 177.388 176.117 -0.125 0.000 1.184 24 I CA 0.952 62.205 61.300 -0.077 0.000 1.451 24 I CB 0.182 38.191 38.000 0.014 0.000 1.089 24 I HN 0.727 8.923 8.210 -0.025 0.000 0.441 25 E N -2.912 117.232 120.200 -0.093 0.000 2.265 25 E HA -0.246 4.042 4.350 -0.104 0.000 0.196 25 E C 0.460 176.966 176.600 -0.155 0.000 0.996 25 E CA 2.256 58.595 56.400 -0.102 0.000 0.832 25 E CB -0.709 28.956 29.700 -0.059 0.000 0.756 25 E HN 0.499 8.780 8.360 -0.064 0.040 0.491 26 N N -3.333 115.271 118.700 -0.160 0.000 2.412 26 N HA -0.011 4.648 4.740 -0.135 0.000 0.184 26 N C -0.211 175.125 175.510 -0.290 0.000 1.101 26 N CA 0.889 53.838 53.050 -0.168 0.000 0.881 26 N CB 0.915 39.338 38.487 -0.107 0.000 0.969 26 N HN -0.519 7.630 8.380 -0.137 0.149 0.459 27 Q N -2.748 116.793 119.800 -0.432 0.000 3.007 27 Q HA 0.493 4.164 4.340 -1.114 0.000 0.321 27 Q C -1.885 173.586 176.000 -0.882 0.000 0.784 27 Q CA -2.062 53.298 55.803 -0.739 0.000 0.990 27 Q CB 0.582 29.114 28.738 -0.343 0.000 1.493 27 Q HN -0.241 7.627 8.270 -0.341 0.197 0.382 28 P HA 0.028 4.484 4.420 -0.241 -0.181 0.230 28 P C -0.252 176.908 177.300 -0.233 0.000 1.158 28 P CA 1.766 64.603 63.100 -0.438 0.000 0.769 28 P CB 0.007 31.529 31.700 -0.298 0.000 0.807 29 W N -5.071 116.305 121.300 0.127 0.000 3.197 29 W HA 0.240 5.097 4.660 0.085 -0.145 0.274 29 W C -0.629 175.972 176.519 0.138 0.000 1.297 29 W CA -3.421 53.989 57.345 0.108 0.000 1.662 29 W CB -0.799 28.712 29.460 0.084 0.000 1.106 29 W HN -0.792 6.340 8.180 -1.617 0.078 0.663 30 F N 3.941 123.903 119.950 0.019 0.000 2.495 30 F HA 0.150 4.951 4.527 0.218 -0.143 0.365 30 F C -1.890 173.999 175.800 0.149 0.000 1.090 30 F CA 0.352 58.421 58.000 0.115 0.000 1.235 30 F CB 1.453 40.452 39.000 -0.001 0.000 1.119 30 F HN -0.291 7.812 8.300 -0.041 0.172 0.562 31 A N 6.886 129.313 122.820 -0.656 0.000 2.350 31 A HA 0.812 5.250 4.320 -0.039 -0.141 0.324 31 A C -2.460 174.823 177.584 -0.501 0.000 1.118 31 A CA -2.330 49.519 52.037 -0.314 0.000 0.783 31 A CB 3.459 22.378 19.000 -0.135 0.000 1.236 31 A HN 0.311 7.813 8.150 -0.914 0.100 0.457 32 A N 2.360 125.213 122.820 0.055 0.000 2.287 32 A HA 0.476 5.001 4.320 0.342 0.000 0.317 32 A C -2.015 175.720 177.584 0.251 0.000 1.220 32 A CA -1.829 50.415 52.037 0.345 0.000 0.835 32 A CB 1.684 21.105 19.000 0.701 0.000 1.180 32 A HN 0.606 8.892 8.150 0.226 0.000 0.500 33 I N 3.923 124.457 120.570 -0.060 0.000 2.378 33 I HA 0.640 5.124 4.170 0.248 -0.165 0.291 33 I C -1.107 174.878 176.117 -0.220 0.000 0.992 33 I CA -1.125 60.170 61.300 -0.009 0.000 1.154 33 I CB 1.604 39.586 38.000 -0.029 0.000 1.315 33 I HN 0.458 8.531 8.210 -0.228 0.000 0.448 34 Y N 5.093 125.539 120.300 0.243 0.000 2.598 34 Y HA 0.725 5.499 4.550 0.169 -0.123 0.340 34 Y C -1.251 174.780 175.900 0.218 0.000 1.038 34 Y CA -2.029 56.209 58.100 0.230 0.000 1.100 34 Y CB 4.453 43.082 38.460 0.283 0.000 1.281 34 Y HN 0.935 9.554 8.280 0.565 0.000 0.488 35 R N -0.467 120.196 120.500 0.271 0.000 2.686 35 R HA 0.865 5.327 4.340 -0.119 -0.193 0.286 35 R C -1.307 175.011 176.300 0.030 0.000 0.969 35 R CA -2.089 54.014 56.100 0.005 0.000 0.898 35 R CB 4.502 34.739 30.300 -0.105 0.000 1.183 35 R HN 0.928 9.277 8.270 0.308 0.106 0.456 36 R N 3.943 124.417 120.500 -0.045 0.000 2.474 36 R HA 0.322 4.678 4.340 0.027 0.000 0.295 36 R C -0.339 175.940 176.300 -0.035 0.000 0.980 36 R CA -0.797 55.297 56.100 -0.011 0.000 0.934 36 R CB 1.236 31.528 30.300 -0.013 0.000 1.101 36 R HN 0.643 8.833 8.270 -0.134 0.000 0.469 37 S N 2.199 117.906 115.700 0.011 0.000 3.504 37 S HA -0.413 4.067 4.470 0.016 0.000 0.709 37 S C -1.380 173.242 174.600 0.035 0.000 1.415 37 S CA 1.103 59.316 58.200 0.022 0.000 0.997 37 S CB 0.380 63.596 63.200 0.027 0.000 0.597 37 S HN 0.326 8.642 8.310 0.010 0.000 0.429 38 V N 2.329 122.278 119.914 0.057 0.000 2.577 38 V HA 0.504 4.888 4.120 0.095 -0.207 0.303 38 V C -0.396 175.805 176.094 0.179 0.000 1.042 38 V CA -1.002 61.360 62.300 0.103 0.000 0.872 38 V CB 2.534 34.388 31.823 0.052 0.000 0.998 38 V HN -0.074 8.149 8.190 0.055 0.000 0.423 39 T N 2.290 116.983 114.554 0.232 0.000 2.924 39 T HA 0.411 4.933 4.350 0.286 0.000 0.291 39 T C -1.061 173.877 174.700 0.397 0.000 1.045 39 T CA -2.287 59.980 62.100 0.278 0.000 1.015 39 T CB 2.984 71.951 68.868 0.165 0.000 1.103 39 T HN 0.536 8.893 8.240 0.194 0.000 0.496 40 Y N 3.101 123.540 120.300 0.230 0.000 2.336 40 Y HA -0.133 4.335 4.550 -0.305 -0.101 0.331 40 Y C -1.132 174.803 175.900 0.058 0.000 1.211 40 Y CA 1.798 59.888 58.100 -0.017 0.000 1.346 40 Y CB 0.794 39.233 38.460 -0.036 0.000 1.271 40 Y HN 0.252 8.806 8.280 0.457 0.000 0.538 41 V N 5.274 124.828 119.914 -0.599 0.000 3.050 41 V HA 0.003 4.024 4.120 -0.165 0.000 0.223 41 V C -1.054 174.639 176.094 -0.668 0.000 1.162 41 V CA 1.026 63.077 62.300 -0.416 0.000 1.247 41 V CB 2.707 34.397 31.823 -0.221 0.000 1.125 41 V HN 0.538 8.092 8.190 -1.059 0.000 0.508 42 c N -5.224 112.827 118.600 -0.916 0.000 3.336 42 c HA 0.169 4.461 4.570 -0.463 0.000 0.339 42 c C -1.804 172.008 174.090 -0.465 0.000 1.468 42 c CA -0.643 55.315 56.329 -0.619 0.000 1.287 42 c CB 3.972 46.191 42.510 -0.485 0.000 1.682 42 c HN -0.722 6.952 8.230 -0.927 0.000 0.451 43 G N -1.360 107.390 108.800 -0.084 0.000 2.531 43 G HA2 0.770 4.810 3.960 -0.089 0.000 0.313 43 G HA3 0.770 4.881 3.960 0.252 0.000 0.313 43 G C -2.355 172.451 174.900 -0.157 0.000 1.238 43 G CA -1.329 43.759 45.100 -0.020 0.000 0.994 43 G HN 0.253 8.512 8.290 -0.051 0.000 0.493 44 G N -3.556 105.064 108.800 -0.300 0.000 2.548 44 G HA2 0.656 4.860 3.960 -0.039 0.000 0.301 44 G HA3 0.656 4.553 3.960 -0.104 0.000 0.301 44 G C -2.746 172.081 174.900 -0.123 0.000 1.349 44 G CA 0.191 45.212 45.100 -0.130 0.000 0.792 44 G HN -0.339 7.526 8.290 -0.709 0.000 0.481 45 S N -1.031 114.671 115.700 0.003 0.000 2.540 45 S HA 0.811 5.588 4.470 0.147 -0.219 0.275 45 S C -1.641 173.016 174.600 0.095 0.000 1.123 45 S CA -0.583 57.681 58.200 0.107 0.000 0.907 45 S CB 4.356 67.642 63.200 0.143 0.000 1.081 45 S HN 0.292 8.610 8.310 0.013 0.000 0.476 46 L N 4.455 125.763 121.223 0.141 0.000 2.281 46 L HA 0.269 4.783 4.340 0.063 -0.136 0.285 46 L C -1.007 175.930 176.870 0.113 0.000 1.074 46 L CA -0.159 54.744 54.840 0.104 0.000 0.817 46 L CB 0.963 43.086 42.059 0.106 0.000 1.168 46 L HN 0.451 8.711 8.230 0.226 0.105 0.434 47 M N 5.727 125.384 119.600 0.095 0.000 2.447 47 M HA 0.089 4.595 4.480 0.044 0.000 0.266 47 M C 0.137 176.484 176.300 0.078 0.000 1.120 47 M CA 2.290 57.632 55.300 0.071 0.000 1.166 47 M CB 1.497 34.134 32.600 0.061 0.000 1.349 47 M HN 0.444 8.797 8.290 0.106 0.000 0.463 48 S N -4.236 111.532 115.700 0.115 0.000 2.671 48 S HA 0.460 4.980 4.470 0.084 0.000 0.277 48 S C -1.746 172.906 174.600 0.085 0.000 1.165 48 S CA -1.738 56.530 58.200 0.113 0.000 0.822 48 S CB 0.903 64.201 63.200 0.163 0.000 1.150 48 S HN -0.798 7.596 8.310 0.139 0.000 0.479 49 P HA -0.145 4.268 4.420 -0.012 0.000 0.216 49 P C 0.130 177.366 177.300 -0.106 0.000 1.150 49 P CA 2.468 65.563 63.100 -0.008 0.000 0.843 49 P CB 0.062 31.770 31.700 0.012 0.000 0.787 50 c N -7.697 110.842 118.600 -0.101 0.000 2.906 50 c HA 0.278 4.628 4.570 -0.367 0.000 0.274 50 c C -1.063 172.721 174.090 -0.511 0.000 1.257 50 c CA -1.074 55.051 56.329 -0.340 0.000 1.695 50 c CB -1.158 41.103 42.510 -0.414 0.000 1.958 50 c HN -0.032 8.191 8.230 0.018 0.018 0.619 51 W N -1.621 119.607 121.300 -0.119 0.000 2.785 51 W HA 0.538 5.299 4.660 -0.126 -0.177 0.333 51 W C -1.696 174.762 176.519 -0.102 0.000 1.062 51 W CA -1.126 56.153 57.345 -0.110 0.000 1.233 51 W CB 3.219 32.630 29.460 -0.081 0.000 1.413 51 W HN -0.449 7.681 8.180 0.110 0.115 0.489 52 V N 2.227 122.232 119.914 0.152 0.000 2.680 52 V HA 0.798 5.145 4.120 0.069 -0.186 0.309 52 V C -1.951 174.203 176.094 0.100 0.000 1.052 52 V CA -1.614 60.726 62.300 0.066 0.000 0.908 52 V CB 4.036 35.842 31.823 -0.029 0.000 1.001 52 V HN 0.851 9.136 8.190 0.159 0.000 0.431 53 I N 6.157 126.773 120.570 0.076 0.000 2.530 53 I HA 0.922 5.333 4.170 0.089 -0.187 0.297 53 I C -2.123 174.025 176.117 0.051 0.000 1.011 53 I CA -2.543 58.802 61.300 0.075 0.000 1.107 53 I CB 2.901 40.945 38.000 0.073 0.000 1.285 53 I HN 0.591 8.839 8.210 0.064 0.000 0.436 54 S N 6.443 122.177 115.700 0.057 0.000 3.121 54 S HA 0.531 5.195 4.470 0.017 -0.184 0.324 54 S C -2.161 172.445 174.600 0.009 0.000 1.192 54 S CA -1.819 56.407 58.200 0.044 0.000 0.937 54 S CB 2.428 65.700 63.200 0.121 0.000 1.336 54 S HN 0.571 8.921 8.310 0.068 0.000 0.664 55 A N -0.519 122.268 122.820 -0.055 0.000 2.303 55 A HA 0.524 4.917 4.320 -0.113 -0.141 0.320 55 A C 1.137 178.613 177.584 -0.180 0.000 1.192 55 A CA -1.311 50.632 52.037 -0.158 0.000 0.821 55 A CB 1.297 20.123 19.000 -0.289 0.000 1.188 55 A HN 0.422 8.520 8.150 -0.088 0.000 0.492 56 T N 8.180 122.641 114.554 -0.155 0.000 2.737 56 T HA -0.514 3.851 4.350 0.025 0.000 0.269 56 T C 1.809 176.244 174.700 -0.441 0.000 1.040 56 T CA 5.133 67.107 62.100 -0.211 0.000 1.142 56 T CB -0.270 68.414 68.868 -0.306 0.000 0.861 56 T HN 0.465 8.720 8.240 -0.141 -0.100 0.456 57 H N -1.192 117.519 119.070 -0.599 0.000 2.543 57 H HA -0.216 3.930 4.556 -0.682 0.000 0.286 57 H C 0.995 176.070 175.328 -0.421 0.000 1.037 57 H CA 2.412 58.111 56.048 -0.582 0.000 1.250 57 H CB -0.598 28.765 29.762 -0.665 0.000 1.373 57 H HN -0.118 8.260 8.280 -0.396 -0.335 0.580 58 c N -1.531 116.544 118.600 -0.875 0.000 2.468 58 c HA -0.151 3.964 4.570 -0.758 0.000 0.277 58 c C -0.301 173.179 174.090 -1.016 0.000 1.400 58 c CA 1.925 57.630 56.329 -1.039 0.000 1.770 58 c CB -1.487 40.169 42.510 -1.423 0.000 1.905 58 c HN -0.350 7.210 8.230 -0.821 0.177 0.519 59 F N -1.941 117.847 119.950 -0.270 0.000 2.557 59 F HA 0.423 4.887 4.527 -0.104 0.000 0.336 59 F C -0.994 174.754 175.800 -0.086 0.000 1.058 59 F CA -2.645 55.244 58.000 -0.186 0.000 0.988 59 F CB 0.889 39.711 39.000 -0.297 0.000 1.275 59 F HN -0.650 7.228 8.300 -0.448 0.153 0.488 60 P HA 0.357 4.921 4.420 0.240 0.000 0.449 60 P C -1.435 175.977 177.300 0.187 0.000 1.309 60 P CA -0.255 62.962 63.100 0.195 0.000 1.734 60 P CB 0.521 32.286 31.700 0.108 0.000 2.042 61 K N 0.946 121.489 120.400 0.238 0.000 2.177 61 K HA 0.198 4.581 4.320 0.105 0.000 0.238 61 K C 1.162 177.903 176.600 0.235 0.000 1.015 61 K CA -1.088 55.288 56.287 0.148 0.000 0.922 61 K CB 0.479 33.016 32.500 0.061 0.000 1.127 61 K HN -0.269 8.159 8.250 0.297 0.000 0.469 62 E N -1.796 118.458 120.200 0.089 0.000 3.315 62 E HA -0.340 4.037 4.350 0.045 0.000 0.265 62 E C 1.230 177.840 176.600 0.017 0.000 0.818 62 E CA 2.366 58.792 56.400 0.044 0.000 0.806 62 E CB -0.562 29.148 29.700 0.018 0.000 1.413 62 E HN 0.812 9.219 8.360 0.078 0.000 0.463 63 D N -1.275 119.107 120.400 -0.030 0.000 2.368 63 D HA 0.184 4.774 4.640 -0.083 0.000 0.218 63 D C -1.856 174.301 176.300 -0.237 0.000 1.112 63 D CA -0.577 53.329 54.000 -0.156 0.000 0.834 63 D CB 0.141 40.786 40.800 -0.257 0.000 0.953 63 D HN -0.071 8.194 8.370 0.005 0.109 0.505 64 Y N -1.741 118.601 120.300 0.071 0.000 2.446 64 Y HA 0.594 5.423 4.550 0.141 -0.195 0.338 64 Y C -0.779 175.175 175.900 0.090 0.000 1.055 64 Y CA -0.787 57.378 58.100 0.109 0.000 1.101 64 Y CB 3.356 41.891 38.460 0.124 0.000 1.221 64 Y HN -0.779 7.537 8.280 0.172 0.067 0.460 65 I N -0.140 120.612 120.570 0.302 0.000 2.545 65 I HA 0.393 4.751 4.170 0.092 -0.133 0.292 65 I C -1.568 174.702 176.117 0.255 0.000 1.040 65 I CA -1.265 60.139 61.300 0.173 0.000 1.068 65 I CB 3.790 41.857 38.000 0.110 0.000 1.251 65 I HN 0.584 9.034 8.210 0.400 0.000 0.424 66 V N 5.456 125.451 119.914 0.136 0.000 2.495 66 V HA 0.547 5.025 4.120 0.327 -0.162 0.298 66 V C -1.584 174.612 176.094 0.171 0.000 1.031 66 V CA -1.532 60.901 62.300 0.221 0.000 0.871 66 V CB 2.605 34.518 31.823 0.151 0.000 0.988 66 V HN 0.605 8.826 8.190 0.051 0.000 0.432 67 Y N 4.970 125.491 120.300 0.368 0.000 2.446 67 Y HA 0.800 5.749 4.550 0.311 -0.213 0.345 67 Y C -0.989 175.095 175.900 0.308 0.000 0.984 67 Y CA -1.840 56.459 58.100 0.331 0.000 1.058 67 Y CB 4.046 42.690 38.460 0.307 0.000 1.220 67 Y HN 0.803 9.421 8.280 0.562 0.000 0.455 68 L N -0.754 120.750 121.223 0.468 0.000 2.341 68 L HA 0.543 5.055 4.340 0.286 0.000 0.267 68 L C 0.717 177.770 176.870 0.305 0.000 1.009 68 L CA -1.581 53.463 54.840 0.340 0.000 0.819 68 L CB 3.779 46.038 42.059 0.334 0.000 1.323 68 L HN 0.644 9.167 8.230 0.489 0.000 0.425 69 G N -1.180 107.760 108.800 0.232 0.000 2.221 69 G HA2 -0.455 3.729 3.960 0.128 0.000 0.265 69 G HA3 -0.455 3.598 3.960 0.155 0.000 0.265 69 G C -1.452 173.556 174.900 0.180 0.000 1.041 69 G CA 0.364 45.567 45.100 0.172 0.000 0.807 69 G HN 0.543 8.961 8.290 0.214 0.000 0.502 70 R N -1.827 118.821 120.500 0.247 0.000 2.343 70 R HA 0.050 4.489 4.340 0.164 0.000 0.320 70 R C -1.598 174.864 176.300 0.271 0.000 0.956 70 R CA -0.742 55.506 56.100 0.248 0.000 0.836 70 R CB 1.201 31.694 30.300 0.322 0.000 1.151 70 R HN -0.222 8.229 8.270 0.301 0.000 0.450 71 S N 3.233 119.044 115.700 0.184 0.000 2.492 71 S HA -0.009 4.523 4.470 0.105 0.000 0.218 71 S C -0.478 174.285 174.600 0.272 0.000 1.016 71 S CA 1.681 59.973 58.200 0.152 0.000 0.916 71 S CB 1.372 64.611 63.200 0.063 0.000 0.791 71 S HN 0.635 9.023 8.310 0.131 0.000 0.513 72 R N -0.654 119.994 120.500 0.247 0.000 2.778 72 R HA 0.623 5.334 4.340 0.308 -0.186 0.277 72 R C -0.261 176.007 176.300 -0.053 0.000 0.977 72 R CA -1.272 54.930 56.100 0.171 0.000 0.950 72 R CB 2.826 33.145 30.300 0.032 0.000 1.165 72 R HN -0.987 7.387 8.270 0.174 0.000 0.474 73 L N 1.545 122.539 121.223 -0.381 0.000 2.005 73 L HA -0.137 3.502 4.340 -1.169 0.000 0.207 73 L C 0.913 177.630 176.870 -0.256 0.000 1.072 73 L CA 2.455 56.869 54.840 -0.710 0.000 0.744 73 L CB 0.755 42.359 42.059 -0.759 0.000 0.895 73 L HN 0.738 8.738 8.230 -0.187 0.117 0.433 74 N N -3.466 115.126 118.700 -0.178 0.000 2.170 74 N HA 0.092 4.730 4.740 -0.171 0.000 0.222 74 N C -0.624 174.800 175.510 -0.144 0.000 1.218 74 N CA 0.303 53.268 53.050 -0.141 0.000 0.889 74 N CB 1.528 39.967 38.487 -0.080 0.000 1.083 74 N HN -0.133 8.422 8.380 -0.168 -0.276 0.520 75 S N 1.028 116.648 115.700 -0.134 0.000 2.600 75 S HA 0.334 4.739 4.470 -0.109 0.000 0.300 75 S C -1.458 173.067 174.600 -0.126 0.000 1.087 75 S CA -1.164 56.971 58.200 -0.109 0.000 0.965 75 S CB 2.183 65.339 63.200 -0.073 0.000 1.089 75 S HN -0.363 7.868 8.310 -0.132 0.000 0.496 76 N N 0.861 119.496 118.700 -0.109 0.000 2.513 76 N HA 0.045 4.836 4.740 -0.158 -0.145 0.274 76 N C -0.494 174.986 175.510 -0.051 0.000 1.189 76 N CA 0.350 53.338 53.050 -0.104 0.000 0.975 76 N CB 1.095 39.534 38.487 -0.080 0.000 1.157 76 N HN 0.149 8.475 8.380 -0.090 0.000 0.465 77 T N 2.270 116.807 114.554 -0.028 0.000 2.856 77 T HA 0.156 4.506 4.350 -0.000 0.000 0.283 77 T C -1.309 173.399 174.700 0.014 0.000 1.008 77 T CA -0.765 61.339 62.100 0.006 0.000 0.997 77 T CB 2.182 71.073 68.868 0.039 0.000 0.992 77 T HN 0.126 8.688 8.240 -0.038 -0.345 0.454 78 Q N 5.193 125.000 119.800 0.013 0.000 2.332 78 Q HA -0.117 4.231 4.340 0.013 0.000 0.263 78 Q C 0.989 177.007 176.000 0.030 0.000 0.979 78 Q CA 1.251 57.063 55.803 0.016 0.000 0.885 78 Q CB 0.170 28.913 28.738 0.009 0.000 1.218 78 Q HN 0.368 8.643 8.270 0.009 0.000 0.405 79 G N 4.694 113.515 108.800 0.035 0.000 2.195 79 G HA2 -0.321 3.663 3.960 0.040 0.000 0.246 79 G HA3 -0.321 3.666 3.960 0.045 0.000 0.246 79 G C -0.954 173.991 174.900 0.074 0.000 0.984 79 G CA -0.360 44.768 45.100 0.047 0.000 0.633 79 G HN 0.351 8.658 8.290 0.029 0.000 0.525 80 E N 0.187 120.440 120.200 0.088 0.000 2.404 80 E HA 0.061 4.643 4.350 0.171 -0.130 0.261 80 E C -0.802 175.886 176.600 0.147 0.000 1.074 80 E CA -0.441 56.050 56.400 0.152 0.000 0.917 80 E CB 0.659 30.462 29.700 0.171 0.000 0.965 80 E HN -0.630 7.708 8.360 0.068 0.062 0.433 81 M N 0.334 120.045 119.600 0.186 0.000 2.465 81 M HA 0.330 4.759 4.480 -0.084 0.000 0.316 81 M C -1.354 174.874 176.300 -0.120 0.000 1.121 81 M CA -2.557 52.739 55.300 -0.007 0.000 0.934 81 M CB 4.185 36.828 32.600 0.073 0.000 1.692 81 M HN 0.588 8.932 8.290 0.273 0.110 0.444 82 K N 2.750 122.840 120.400 -0.518 0.000 2.221 82 K HA 0.619 4.580 4.320 -0.857 -0.155 0.258 82 K C -1.268 174.776 176.600 -0.927 0.000 0.944 82 K CA -0.913 54.921 56.287 -0.754 0.000 0.823 82 K CB 2.545 34.664 32.500 -0.635 0.000 1.113 82 K HN 0.191 8.125 8.250 -0.526 0.000 0.431 83 F N 2.110 121.896 119.950 -0.273 0.000 2.629 83 F HA 0.146 4.671 4.527 -0.134 -0.079 0.316 83 F C -2.157 173.560 175.800 -0.139 0.000 1.081 83 F CA -0.623 57.283 58.000 -0.157 0.000 0.954 83 F CB 4.015 42.945 39.000 -0.117 0.000 1.337 83 F HN 0.777 8.942 8.300 -0.225 0.000 0.474 84 E N -1.568 118.694 120.200 0.103 0.000 2.243 84 E HA 0.492 4.867 4.350 0.042 0.000 0.260 84 E C -0.714 175.907 176.600 0.035 0.000 0.985 84 E CA -2.711 53.715 56.400 0.042 0.000 0.858 84 E CB 2.848 32.552 29.700 0.008 0.000 1.210 84 E HN 0.508 8.952 8.360 0.139 0.000 0.411 85 V N 1.433 121.354 119.914 0.012 0.000 2.334 85 V HA 0.095 4.304 4.120 -0.099 -0.148 0.267 85 V C -0.454 175.596 176.094 -0.074 0.000 1.040 85 V CA -0.226 62.040 62.300 -0.056 0.000 0.866 85 V CB -0.666 31.128 31.823 -0.048 0.000 1.019 85 V HN 0.595 8.808 8.190 0.039 0.000 0.468 86 E N 7.930 128.056 120.200 -0.124 0.000 2.112 86 E HA -0.273 4.031 4.350 -0.077 0.000 0.190 86 E C -1.075 175.452 176.600 -0.123 0.000 0.979 86 E CA 2.482 58.809 56.400 -0.120 0.000 0.814 86 E CB 1.216 30.818 29.700 -0.163 0.000 0.762 86 E HN 0.615 8.782 8.360 -0.164 0.094 0.460 87 N N -2.748 115.850 118.700 -0.170 0.000 2.277 87 N HA 0.237 4.934 4.740 -0.071 0.000 0.286 87 N C -2.541 172.894 175.510 -0.126 0.000 1.140 87 N CA -0.562 52.423 53.050 -0.109 0.000 0.799 87 N CB 3.531 41.983 38.487 -0.059 0.000 1.596 87 N HN -0.704 7.537 8.380 -0.232 0.000 0.473 88 L N 3.616 124.775 121.223 -0.107 0.000 2.406 88 L HA 0.587 4.928 4.340 -0.242 -0.147 0.270 88 L C -1.236 175.570 176.870 -0.108 0.000 0.982 88 L CA -0.445 54.279 54.840 -0.193 0.000 0.843 88 L CB 1.972 43.870 42.059 -0.267 0.000 1.225 88 L HN 0.082 8.271 8.230 -0.068 0.000 0.412 89 I N 8.327 128.851 120.570 -0.077 0.000 2.354 89 I HA 0.267 4.425 4.170 -0.019 0.000 0.286 89 I C -1.452 174.700 176.117 0.058 0.000 1.007 89 I CA -0.802 60.476 61.300 -0.036 0.000 1.167 89 I CB 0.903 38.806 38.000 -0.161 0.000 1.320 89 I HN 1.036 9.198 8.210 -0.080 0.000 0.458 90 L N 5.332 126.605 121.223 0.083 0.000 2.358 90 L HA 0.401 4.807 4.340 0.109 0.000 0.268 90 L C -0.512 176.497 176.870 0.231 0.000 1.032 90 L CA -1.856 53.053 54.840 0.115 0.000 0.805 90 L CB 1.979 44.061 42.059 0.038 0.000 1.253 90 L HN 0.346 8.608 8.230 0.053 0.000 0.452 91 H N 2.261 121.352 119.070 0.036 0.000 2.800 91 H HA 0.019 4.634 4.556 0.098 0.000 0.291 91 H C -0.613 174.766 175.328 0.086 0.000 1.076 91 H CA -0.068 55.950 56.048 -0.051 0.000 1.452 91 H CB 0.750 30.272 29.762 -0.399 0.000 1.461 91 H HN 0.255 8.607 8.280 0.119 0.000 0.488 92 K N 7.622 128.001 120.400 -0.036 0.000 2.412 92 K HA -0.093 4.304 4.320 0.128 0.000 0.281 92 K C -1.238 175.456 176.600 0.155 0.000 1.027 92 K CA 1.386 57.720 56.287 0.079 0.000 0.989 92 K CB -0.222 32.316 32.500 0.064 0.000 0.935 92 K HN 0.415 8.584 8.250 -0.135 0.000 0.475 93 D N -4.992 115.529 120.400 0.201 0.000 3.005 93 D HA -0.283 4.434 4.640 0.129 0.000 0.203 93 D C -1.078 175.351 176.300 0.216 0.000 1.003 93 D CA 0.860 54.981 54.000 0.202 0.000 0.990 93 D CB -2.076 38.867 40.800 0.238 0.000 1.056 93 D HN 0.367 8.844 8.370 0.178 0.000 0.445 94 Y N 0.712 121.103 120.300 0.151 0.000 2.397 94 Y HA -0.029 4.761 4.550 0.083 -0.190 0.335 94 Y C -1.356 174.610 175.900 0.109 0.000 1.213 94 Y CA 0.835 59.000 58.100 0.107 0.000 1.391 94 Y CB 1.104 39.615 38.460 0.086 0.000 1.293 94 Y HN -0.542 7.906 8.280 0.352 0.044 0.557 95 S N 5.322 120.490 115.700 -0.886 0.000 2.537 95 S HA 0.232 4.449 4.470 -0.422 0.000 0.270 95 S C -2.384 171.841 174.600 -0.625 0.000 1.142 95 S CA -0.902 56.968 58.200 -0.549 0.000 0.870 95 S CB 2.036 65.117 63.200 -0.200 0.000 1.112 95 S HN 0.115 7.838 8.310 -0.978 0.000 0.466 96 A N 3.455 126.053 122.820 -0.370 0.000 2.387 96 A HA 0.768 5.040 4.320 -0.414 -0.200 0.303 96 A C 0.874 178.321 177.584 -0.228 0.000 1.145 96 A CA -1.155 50.707 52.037 -0.291 0.000 0.801 96 A CB 1.683 20.639 19.000 -0.072 0.000 1.342 96 A HN 0.505 8.511 8.150 -0.239 0.000 0.440 97 L N 0.575 121.515 121.223 -0.472 0.000 2.402 97 L HA -0.473 3.580 4.340 -0.478 0.000 0.240 97 L C 0.944 176.948 176.870 -1.444 0.000 1.135 97 L CA 2.281 56.684 54.840 -0.728 0.000 0.830 97 L CB -0.484 41.150 42.059 -0.709 0.000 0.988 97 L HN 0.459 8.429 8.230 -0.433 0.000 0.428 98 A N -3.580 118.193 122.820 -1.745 0.000 2.407 98 A HA 0.025 2.124 4.320 -3.701 0.000 0.248 98 A C -1.493 175.292 177.584 -1.332 0.000 1.082 98 A CA -0.320 50.444 52.037 -2.121 0.000 0.785 98 A CB 1.289 19.429 19.000 -1.433 0.000 1.020 98 A HN -0.619 6.948 8.150 -1.257 -0.170 0.489 99 H N 0.979 119.475 119.070 -0.955 0.000 2.489 99 H HA 0.694 5.127 4.556 -0.518 -0.188 0.343 99 H C -0.471 174.546 175.328 -0.519 0.000 1.086 99 H CA -1.306 54.451 56.048 -0.485 0.000 1.198 99 H CB 2.421 32.157 29.762 -0.043 0.000 1.490 99 H HN 0.188 7.774 8.280 -1.156 0.000 0.504 100 H N 2.391 121.359 119.070 -0.171 0.000 2.499 100 H HA 0.274 4.843 4.556 0.023 0.000 0.340 100 H C 0.044 175.340 175.328 -0.053 0.000 1.148 100 H CA -0.991 55.010 56.048 -0.079 0.000 1.215 100 H CB 3.317 33.003 29.762 -0.128 0.000 1.529 100 H HN 0.783 8.751 8.280 -0.341 0.108 0.510 101 N N -0.982 117.766 118.700 0.080 0.000 2.705 101 N HA -0.377 4.225 4.740 -0.230 0.000 0.255 101 N C -1.382 173.985 175.510 -0.238 0.000 1.008 101 N CA 1.158 54.080 53.050 -0.213 0.000 0.742 101 N CB -0.682 37.619 38.487 -0.310 0.000 0.906 101 N HN 0.569 9.058 8.380 0.183 0.000 0.541 102 D N -1.168 119.163 120.400 -0.115 0.000 2.631 102 D HA 0.074 4.802 4.640 0.146 0.000 0.227 102 D C -1.936 174.228 176.300 -0.226 0.000 1.146 102 D CA -0.479 53.520 54.000 -0.002 0.000 1.009 102 D CB -0.723 40.192 40.800 0.191 0.000 1.057 102 D HN 0.057 8.381 8.370 -0.077 0.000 0.509 103 I N 1.495 121.834 120.570 -0.384 0.000 2.686 103 I HA 0.788 4.998 4.170 -0.218 -0.171 0.295 103 I C -2.844 173.172 176.117 -0.169 0.000 1.114 103 I CA -2.057 59.024 61.300 -0.366 0.000 1.038 103 I CB 3.984 41.536 38.000 -0.746 0.000 1.238 103 I HN -0.509 7.410 8.210 -0.404 0.049 0.420 104 A N 6.691 129.530 122.820 0.033 0.000 2.556 104 A HA 0.919 5.540 4.320 0.301 -0.121 0.294 104 A C -2.513 175.161 177.584 0.150 0.000 1.091 104 A CA -1.590 50.534 52.037 0.145 0.000 0.704 104 A CB 4.150 23.184 19.000 0.057 0.000 1.300 104 A HN 0.726 8.813 8.150 0.026 0.079 0.406 105 L N -0.400 120.892 121.223 0.115 0.000 2.362 105 L HA 0.868 5.470 4.340 0.131 -0.184 0.275 105 L C -1.601 175.319 176.870 0.083 0.000 0.998 105 L CA -1.388 53.522 54.840 0.116 0.000 0.820 105 L CB 3.907 45.983 42.059 0.030 0.000 1.270 105 L HN 0.622 8.920 8.230 0.112 0.000 0.415 106 L N 2.474 123.740 121.223 0.072 0.000 2.349 106 L HA 0.668 5.084 4.340 -0.175 -0.180 0.278 106 L C -1.584 175.167 176.870 -0.198 0.000 0.996 106 L CA -0.952 53.815 54.840 -0.121 0.000 0.825 106 L CB 2.486 44.418 42.059 -0.212 0.000 1.243 106 L HN 1.011 9.325 8.230 0.139 0.000 0.412 107 K N 4.739 124.864 120.400 -0.457 0.000 2.183 107 K HA 0.807 4.588 4.320 -1.230 -0.199 0.274 107 K C -0.882 175.417 176.600 -0.501 0.000 1.009 107 K CA -1.413 54.309 56.287 -0.941 0.000 0.888 107 K CB 2.386 34.182 32.500 -1.174 0.000 1.078 107 K HN 0.693 8.634 8.250 -0.335 0.109 0.459 108 I N 0.635 120.916 120.570 -0.482 0.000 2.648 108 I HA 1.054 5.302 4.170 -0.191 -0.192 0.304 108 I C -1.244 174.754 176.117 -0.199 0.000 1.009 108 I CA -2.663 58.451 61.300 -0.310 0.000 1.114 108 I CB 3.155 40.853 38.000 -0.503 0.000 1.293 108 I HN 0.328 8.176 8.210 -0.603 0.000 0.449 109 R N 2.915 123.434 120.500 0.032 0.000 2.707 109 R HA 0.448 4.850 4.340 0.103 0.000 0.272 109 R C -0.515 175.929 176.300 0.240 0.000 1.011 109 R CA -1.496 54.669 56.100 0.108 0.000 0.893 109 R CB 4.177 34.473 30.300 -0.008 0.000 1.233 109 R HN -0.017 8.311 8.270 0.096 0.000 0.464 110 R N 0.201 120.727 120.500 0.045 0.000 2.211 110 R HA -0.328 4.033 4.340 0.034 0.000 0.329 110 R C -0.924 175.454 176.300 0.129 0.000 0.985 110 R CA 1.342 57.481 56.100 0.064 0.000 1.039 110 R CB -0.365 29.972 30.300 0.061 0.000 0.784 110 R HN 0.366 8.665 8.270 0.048 0.000 0.425 111 c N -1.206 117.447 118.600 0.088 0.000 2.589 111 c HA 0.115 4.681 4.570 -0.007 0.000 0.409 111 c C 0.389 174.559 174.090 0.133 0.000 1.851 111 c CA -1.420 54.926 56.329 0.027 0.000 1.823 111 c CB 1.478 43.945 42.510 -0.071 0.000 1.985 111 c HN 0.108 8.372 8.230 0.057 0.000 0.472 112 A N 0.094 122.887 122.820 -0.044 0.000 2.386 112 A HA -0.033 4.528 4.320 0.402 0.000 0.248 112 A C -0.946 176.704 177.584 0.109 0.000 1.082 112 A CA 0.431 52.532 52.037 0.108 0.000 0.789 112 A CB 0.969 19.941 19.000 -0.047 0.000 1.025 112 A HN 0.237 8.160 8.150 -0.214 0.099 0.490 113 Q N -0.123 119.762 119.800 0.142 0.000 2.345 113 Q HA 0.418 4.804 4.340 0.077 0.000 0.268 113 Q C -2.522 173.532 176.000 0.090 0.000 1.054 113 Q CA -3.143 52.717 55.803 0.096 0.000 0.835 113 Q CB 1.002 29.792 28.738 0.087 0.000 1.339 113 Q HN 0.001 8.389 8.270 0.196 0.000 0.447 114 P HA 0.123 4.741 4.420 0.080 -0.150 0.279 114 P C -1.288 176.050 177.300 0.063 0.000 1.239 114 P CA -0.600 62.543 63.100 0.071 0.000 0.789 114 P CB 0.973 32.711 31.700 0.064 0.000 0.933 115 S N 2.998 118.734 115.700 0.061 0.000 2.752 115 S HA 0.403 4.899 4.470 0.043 0.000 0.284 115 S C 0.592 175.215 174.600 0.038 0.000 1.189 115 S CA -1.537 56.693 58.200 0.048 0.000 0.835 115 S CB 1.761 64.994 63.200 0.054 0.000 1.192 115 S HN 0.176 8.525 8.310 0.065 0.000 0.506 116 R N -2.005 118.512 120.500 0.027 0.000 2.316 116 R HA -0.049 4.300 4.340 0.014 0.000 0.202 116 R C 0.118 176.418 176.300 -0.000 0.000 1.029 116 R CA 1.963 58.071 56.100 0.013 0.000 1.018 116 R CB -0.502 29.804 30.300 0.009 0.000 0.888 116 R HN 0.525 8.812 8.270 0.028 0.000 0.471 117 T N -5.613 108.949 114.554 0.013 0.000 3.040 117 T HA 0.248 4.578 4.350 -0.032 0.000 0.266 117 T C -0.982 173.730 174.700 0.019 0.000 1.005 117 T CA -0.475 61.628 62.100 0.004 0.000 0.906 117 T CB 1.539 70.424 68.868 0.028 0.000 1.082 117 T HN -0.423 7.784 8.240 0.030 0.051 0.531 118 I N 1.875 122.470 120.570 0.041 0.000 2.468 118 I HA 0.558 4.981 4.170 0.069 -0.211 0.285 118 I C -2.706 173.460 176.117 0.083 0.000 1.039 118 I CA -0.983 60.361 61.300 0.073 0.000 1.074 118 I CB 2.747 40.813 38.000 0.109 0.000 1.228 118 I HN -0.679 7.434 8.210 0.042 0.122 0.436 119 Q N 7.432 127.301 119.800 0.114 0.000 2.462 119 Q HA 0.443 4.875 4.340 0.154 0.000 0.285 119 Q C -2.341 173.843 176.000 0.306 0.000 1.035 119 Q CA -1.852 54.067 55.803 0.194 0.000 0.799 119 Q CB 4.737 33.612 28.738 0.228 0.000 1.452 119 Q HN 0.368 8.592 8.270 0.107 0.111 0.404 120 T N -1.332 113.380 114.554 0.263 0.000 2.847 120 T HA 0.404 5.048 4.350 0.240 -0.150 0.279 120 T C -0.669 174.170 174.700 0.231 0.000 0.984 120 T CA -1.382 60.852 62.100 0.224 0.000 0.988 120 T CB 1.443 70.382 68.868 0.118 0.000 1.040 120 T HN 0.032 8.395 8.240 0.206 0.000 0.528 121 I N 0.477 121.068 120.570 0.034 0.000 2.797 121 I HA 0.231 4.110 4.170 -0.485 0.000 0.307 121 I C -1.720 174.278 176.117 -0.199 0.000 1.033 121 I CA -2.368 58.722 61.300 -0.351 0.000 1.071 121 I CB 3.826 41.385 38.000 -0.736 0.000 1.255 121 I HN -0.164 8.078 8.210 0.054 0.000 0.445 122 C N 5.795 124.954 119.300 -0.234 0.000 2.459 122 C HA 0.233 4.643 4.460 -0.083 0.000 0.374 122 C C -0.873 174.049 174.990 -0.115 0.000 1.241 122 C CA 0.028 58.968 59.018 -0.130 0.000 2.352 122 C CB 0.637 28.309 27.740 -0.113 0.000 2.490 122 C HN -0.114 7.911 8.230 -0.342 0.000 0.583 123 L N 1.229 122.411 121.223 -0.068 0.000 2.375 123 L HA 0.349 4.658 4.340 -0.051 0.000 0.268 123 L C -0.603 176.243 176.870 -0.040 0.000 1.058 123 L CA -2.362 52.450 54.840 -0.046 0.000 0.803 123 L CB 0.120 42.162 42.059 -0.027 0.000 1.212 123 L HN 0.225 8.422 8.230 -0.055 0.000 0.451 124 P HA 0.116 4.521 4.420 -0.024 0.000 0.277 124 P C -1.340 175.949 177.300 -0.018 0.000 1.271 124 P CA -0.921 62.168 63.100 -0.018 0.000 0.795 124 P CB 0.887 32.586 31.700 -0.002 0.000 1.101 125 S N -1.996 113.697 115.700 -0.011 0.000 2.672 125 S HA 0.180 4.640 4.470 -0.017 0.000 0.276 125 S C 0.586 175.173 174.600 -0.021 0.000 1.207 125 S CA -1.479 56.715 58.200 -0.011 0.000 1.002 125 S CB 1.358 64.559 63.200 0.003 0.000 0.998 125 S HN 0.042 8.350 8.310 -0.004 0.000 0.542 126 M N 1.790 121.371 119.600 -0.031 0.000 2.256 126 M HA -0.535 3.786 4.480 -0.265 0.000 0.392 126 M C -0.021 176.282 176.300 0.006 0.000 1.406 126 M CA 2.363 57.611 55.300 -0.088 0.000 0.861 126 M CB -0.786 31.845 32.600 0.052 0.000 1.977 126 M HN 0.424 8.704 8.290 -0.016 0.000 0.492 127 Y N -2.603 117.651 120.300 -0.077 0.000 4.047 127 Y HA -0.491 4.008 4.550 -0.086 0.000 0.213 127 Y C -0.903 175.024 175.900 0.045 0.000 1.112 127 Y CA 1.595 59.641 58.100 -0.090 0.000 1.644 127 Y CB -3.153 35.172 38.460 -0.225 0.000 1.519 127 Y HN 0.453 8.239 8.280 -0.824 0.000 0.624 128 N N -0.335 118.434 118.700 0.115 0.000 2.425 128 N HA 0.059 4.866 4.740 0.112 0.000 0.268 128 N C -1.335 174.227 175.510 0.086 0.000 0.991 128 N CA -0.396 52.711 53.050 0.094 0.000 0.931 128 N CB 1.387 39.905 38.487 0.052 0.000 1.130 128 N HN -0.523 7.829 8.380 0.051 0.059 0.493 129 D N 5.632 126.088 120.400 0.093 0.000 2.477 129 D HA 0.357 5.029 4.640 0.053 0.000 0.234 129 D C -2.199 174.122 176.300 0.034 0.000 1.048 129 D CA -1.860 52.183 54.000 0.071 0.000 0.959 129 D CB 2.035 42.900 40.800 0.108 0.000 1.408 129 D HN -0.131 8.299 8.370 0.101 0.000 0.496 130 P HA 0.035 4.437 4.420 -0.029 0.000 0.273 130 P C -1.867 175.420 177.300 -0.023 0.000 1.250 130 P CA -0.018 63.067 63.100 -0.024 0.000 0.793 130 P CB 1.082 32.755 31.700 -0.044 0.000 1.011 131 Q N 0.088 119.838 119.800 -0.083 0.000 2.260 131 Q HA 0.140 4.453 4.340 -0.044 0.000 0.242 131 Q C 0.458 176.344 176.000 -0.191 0.000 0.932 131 Q CA -0.891 54.817 55.803 -0.158 0.000 0.891 131 Q CB 2.029 30.587 28.738 -0.302 0.000 1.222 131 Q HN 0.280 8.489 8.270 -0.101 0.000 0.453 132 F N 0.116 120.053 119.950 -0.022 0.000 2.589 132 F HA -0.532 3.960 4.527 -0.058 0.000 0.352 132 F C 0.562 176.336 175.800 -0.044 0.000 1.168 132 F CA 0.247 58.222 58.000 -0.043 0.000 1.353 132 F CB -0.103 38.871 39.000 -0.044 0.000 1.116 132 F HN 0.125 8.445 8.300 0.033 0.000 0.608 133 G N 1.818 110.654 108.800 0.061 0.000 2.345 133 G HA2 -0.417 3.564 3.960 0.035 0.000 0.218 133 G HA3 -0.417 3.484 3.960 -0.098 0.000 0.218 133 G C -0.561 174.299 174.900 -0.067 0.000 1.058 133 G CA 0.010 45.097 45.100 -0.022 0.000 0.632 133 G HN 0.851 9.091 8.290 0.117 0.120 0.508 134 T N 5.364 119.863 114.554 -0.092 0.000 2.923 134 T HA -0.337 3.962 4.350 -0.084 0.000 0.304 134 T C -1.163 173.492 174.700 -0.074 0.000 1.044 134 T CA 2.121 64.171 62.100 -0.083 0.000 1.141 134 T CB 0.421 69.239 68.868 -0.083 0.000 1.023 134 T HN -0.361 7.721 8.240 -0.116 0.088 0.533 135 S N 4.685 120.344 115.700 -0.069 0.000 2.480 135 S HA 0.555 5.154 4.470 -0.079 -0.176 0.286 135 S C -0.207 174.350 174.600 -0.071 0.000 1.180 135 S CA 0.059 58.216 58.200 -0.070 0.000 1.075 135 S CB 0.782 63.947 63.200 -0.059 0.000 0.996 135 S HN 0.170 8.441 8.310 -0.065 0.000 0.487 136 c N 4.350 122.899 118.600 -0.085 0.000 2.913 136 c HA 0.566 5.158 4.570 -0.065 -0.061 0.322 136 c C -1.593 172.453 174.090 -0.073 0.000 1.292 136 c CA -1.678 54.600 56.329 -0.085 0.000 1.649 136 c CB 4.539 46.972 42.510 -0.128 0.000 2.139 136 c HN 1.123 9.189 8.230 -0.096 0.107 0.475 137 E N -1.116 119.056 120.200 -0.046 0.000 2.277 137 E HA 1.100 5.583 4.350 -0.041 -0.157 0.266 137 E C -1.099 175.498 176.600 -0.005 0.000 0.901 137 E CA -2.395 53.991 56.400 -0.023 0.000 0.782 137 E CB 3.077 32.783 29.700 0.009 0.000 1.228 137 E HN 0.848 9.083 8.360 -0.037 0.103 0.424 138 I N -5.514 115.055 120.570 -0.002 0.000 2.785 138 I HA 1.127 5.571 4.170 0.075 -0.229 0.302 138 I C -1.387 174.724 176.117 -0.010 0.000 1.069 138 I CA -2.309 59.014 61.300 0.039 0.000 1.045 138 I CB 3.852 41.901 38.000 0.080 0.000 1.236 138 I HN 0.527 8.725 8.210 -0.020 0.000 0.429 139 T N 1.656 116.199 114.554 -0.019 0.000 2.896 139 T HA 0.768 5.146 4.350 -0.230 -0.166 0.297 139 T C -1.285 173.236 174.700 -0.298 0.000 1.108 139 T CA -2.775 59.196 62.100 -0.216 0.000 1.004 139 T CB 1.747 70.461 68.868 -0.257 0.000 1.159 139 T HN -0.273 8.008 8.240 0.068 0.000 0.499 140 G N 1.809 110.279 108.800 -0.550 0.000 2.321 140 G HA2 0.179 3.759 3.960 -0.634 0.000 0.298 140 G HA3 0.179 4.208 3.960 -0.134 -0.149 0.298 140 G C -2.489 172.117 174.900 -0.490 0.000 1.385 140 G CA 0.459 45.286 45.100 -0.455 0.000 0.856 140 G HN 0.059 7.982 8.290 -0.612 0.000 0.584 141 F N 0.004 119.852 119.950 -0.171 0.000 2.647 141 F HA 0.330 4.744 4.527 -0.189 0.000 0.300 141 F C 0.618 176.218 175.800 -0.333 0.000 1.106 141 F CA -1.398 56.442 58.000 -0.267 0.000 1.313 141 F CB 0.599 39.284 39.000 -0.526 0.000 1.007 141 F HN 0.511 8.841 8.300 0.051 0.000 0.536 142 G N 0.100 108.836 108.800 -0.107 0.000 2.651 142 G HA2 0.025 3.707 3.960 -0.508 0.000 0.260 142 G HA3 0.025 4.237 3.960 -0.074 -0.296 0.260 142 G C -1.046 173.868 174.900 0.024 0.000 1.216 142 G CA -0.489 44.514 45.100 -0.163 0.000 0.913 142 G HN -0.443 7.933 8.290 -0.069 -0.127 0.535 143 K N -0.783 119.709 120.400 0.155 0.000 2.494 143 K HA -0.300 4.179 4.320 0.265 0.000 0.273 143 K C -0.285 176.374 176.600 0.099 0.000 0.970 143 K CA 1.598 58.005 56.287 0.200 0.000 0.963 143 K CB 0.356 32.981 32.500 0.209 0.000 0.913 143 K HN 0.036 8.388 8.250 0.169 0.000 0.502 144 E N -1.393 118.859 120.200 0.086 0.000 2.452 144 E HA 0.134 4.779 4.350 0.009 -0.290 0.197 144 E C -0.555 176.068 176.600 0.039 0.000 1.022 144 E CA 0.691 57.114 56.400 0.038 0.000 0.890 144 E CB 1.390 31.113 29.700 0.038 0.000 0.918 144 E HN -0.108 8.457 8.360 0.107 -0.141 0.496 145 A N -2.010 120.845 122.820 0.059 0.000 2.547 145 A HA 0.326 4.675 4.320 0.049 0.000 0.297 145 A C 0.035 177.663 177.584 0.074 0.000 1.056 145 A CA -0.721 51.349 52.037 0.056 0.000 0.688 145 A CB 1.637 20.666 19.000 0.050 0.000 1.282 145 A HN -0.736 7.495 8.150 0.076 -0.035 0.400 146 S N 2.638 118.381 115.700 0.072 0.000 2.419 146 S HA -0.369 4.157 4.470 0.094 0.000 0.235 146 S C 1.463 176.116 174.600 0.089 0.000 1.019 146 S CA 3.387 61.636 58.200 0.082 0.000 0.982 146 S CB 0.176 63.417 63.200 0.068 0.000 0.789 146 S HN 0.642 8.989 8.310 0.062 0.000 0.490 147 T N -4.541 110.063 114.554 0.083 0.000 3.148 147 T HA -0.017 4.392 4.350 0.098 0.000 0.253 147 T C 0.319 175.100 174.700 0.135 0.000 1.134 147 T CA -0.394 61.766 62.100 0.099 0.000 1.051 147 T CB -0.086 68.832 68.868 0.084 0.000 0.959 147 T HN -0.418 7.840 8.240 0.072 0.026 0.525 148 D N 3.483 123.947 120.400 0.107 0.000 2.357 148 D HA 0.007 4.680 4.640 0.054 0.000 0.242 148 D C -0.584 175.784 176.300 0.113 0.000 1.153 148 D CA 0.026 54.064 54.000 0.065 0.000 0.918 148 D CB 1.205 42.013 40.800 0.015 0.000 1.181 148 D HN -0.305 7.941 8.370 0.093 0.181 0.435 149 Y N -3.587 116.718 120.300 0.008 0.000 2.527 149 Y HA 0.197 4.726 4.550 -0.034 0.000 0.247 149 Y C -1.681 174.157 175.900 -0.104 0.000 1.138 149 Y CA -0.781 57.297 58.100 -0.037 0.000 1.228 149 Y CB 0.470 38.914 38.460 -0.027 0.000 1.252 149 Y HN 0.035 8.040 8.280 -0.459 0.000 0.531 150 L N -0.908 120.098 121.223 -0.361 0.000 2.333 150 L HA 0.217 4.367 4.340 -0.318 0.000 0.263 150 L C -0.889 175.918 176.870 -0.106 0.000 1.014 150 L CA -1.343 53.313 54.840 -0.307 0.000 0.820 150 L CB 3.044 44.918 42.059 -0.309 0.000 1.352 150 L HN -0.847 7.100 8.230 -0.366 0.062 0.421 151 Y N -0.291 119.999 120.300 -0.016 0.000 2.419 151 Y HA 0.367 4.944 4.550 0.045 0.000 0.328 151 Y C -1.568 174.345 175.900 0.021 0.000 1.162 151 Y CA -3.783 54.333 58.100 0.026 0.000 1.174 151 Y CB 0.012 38.492 38.460 0.034 0.000 1.228 151 Y HN 0.052 8.279 8.280 -0.089 0.000 0.473 152 P HA 0.014 4.525 4.420 0.152 0.000 0.271 152 P C -1.430 175.977 177.300 0.178 0.000 1.233 152 P CA -0.604 62.623 63.100 0.212 0.000 0.789 152 P CB 1.279 33.163 31.700 0.307 0.000 0.951 153 E N -2.284 117.984 120.200 0.114 0.000 2.340 153 E HA -0.029 4.301 4.350 -0.033 0.000 0.194 153 E C -0.207 176.482 176.600 0.149 0.000 0.996 153 E CA 1.243 57.668 56.400 0.041 0.000 0.869 153 E CB 0.679 30.365 29.700 -0.023 0.000 0.835 153 E HN 0.404 8.821 8.360 0.095 0.000 0.493 154 Q N -0.820 119.096 119.800 0.193 0.000 2.282 154 Q HA 0.233 4.831 4.340 0.225 -0.123 0.260 154 Q C -0.098 176.092 176.000 0.316 0.000 0.964 154 Q CA -1.242 54.691 55.803 0.217 0.000 0.880 154 Q CB 1.488 30.186 28.738 -0.066 0.000 1.286 154 Q HN -0.521 7.822 8.270 0.172 0.031 0.445 155 L N 7.353 128.638 121.223 0.104 0.000 2.485 155 L HA -0.048 3.742 4.340 -0.916 0.000 0.275 155 L C -1.236 175.525 176.870 -0.182 0.000 1.207 155 L CA 1.055 55.632 54.840 -0.438 0.000 0.855 155 L CB 0.911 42.622 42.059 -0.580 0.000 1.114 155 L HN 0.234 8.559 8.230 0.158 0.000 0.485 156 K N 3.318 123.525 120.400 -0.321 0.000 2.395 156 K HA 0.846 5.183 4.320 -0.198 -0.136 0.245 156 K C -1.692 174.740 176.600 -0.280 0.000 1.017 156 K CA -1.734 54.398 56.287 -0.259 0.000 0.852 156 K CB 4.172 36.494 32.500 -0.297 0.000 1.311 156 K HN 0.118 8.066 8.250 -0.502 0.000 0.452 157 M N -0.251 119.218 119.600 -0.219 0.000 2.644 157 M HA 0.868 5.422 4.480 -0.166 -0.174 0.273 157 M C -2.366 173.856 176.300 -0.130 0.000 1.253 157 M CA -0.426 54.775 55.300 -0.165 0.000 0.852 157 M CB 4.783 37.296 32.600 -0.146 0.000 1.708 157 M HN 0.434 8.589 8.290 -0.225 0.000 0.471 158 T N 0.349 114.849 114.554 -0.091 0.000 2.769 158 T HA 0.343 4.643 4.350 -0.083 0.000 0.306 158 T C -2.643 172.023 174.700 -0.057 0.000 1.400 158 T CA -1.433 60.621 62.100 -0.077 0.000 1.007 158 T CB 2.469 71.291 68.868 -0.077 0.000 1.392 158 T HN 0.296 8.492 8.240 -0.074 0.000 0.500 159 V N 2.736 122.615 119.914 -0.058 0.000 2.555 159 V HA 0.809 5.077 4.120 -0.056 -0.181 0.302 159 V C -0.700 175.352 176.094 -0.070 0.000 1.038 159 V CA -1.413 60.852 62.300 -0.059 0.000 0.887 159 V CB 2.116 33.907 31.823 -0.054 0.000 0.991 159 V HN 0.363 8.515 8.190 -0.062 0.000 0.434 160 V N 0.937 120.802 119.914 -0.081 0.000 3.130 160 V HA 0.544 4.601 4.120 -0.105 0.000 0.310 160 V C -2.142 173.886 176.094 -0.111 0.000 1.158 160 V CA -2.680 59.561 62.300 -0.098 0.000 1.029 160 V CB 3.814 35.587 31.823 -0.084 0.000 1.057 160 V HN 0.964 9.104 8.190 -0.083 0.000 0.436 161 K N 0.434 120.763 120.400 -0.118 0.000 2.203 161 K HA 0.762 5.229 4.320 -0.092 -0.203 0.251 161 K C -0.348 176.198 176.600 -0.090 0.000 0.944 161 K CA -2.019 54.209 56.287 -0.099 0.000 0.829 161 K CB 3.211 35.658 32.500 -0.089 0.000 1.125 161 K HN 0.351 8.414 8.250 -0.137 0.106 0.430 162 L N 1.659 122.842 121.223 -0.068 0.000 2.426 162 L HA 0.196 4.629 4.340 -0.083 -0.143 0.271 162 L C 0.355 177.239 176.870 0.022 0.000 1.169 162 L CA 0.185 54.998 54.840 -0.045 0.000 0.836 162 L CB 0.208 42.251 42.059 -0.026 0.000 1.112 162 L HN 0.366 8.556 8.230 -0.066 0.000 0.465 163 I N -3.452 117.117 120.570 -0.002 0.000 2.910 163 I HA 0.466 4.673 4.170 0.061 0.000 0.310 163 I C -1.225 174.845 176.117 -0.078 0.000 1.043 163 I CA -1.936 59.360 61.300 -0.006 0.000 1.053 163 I CB 2.900 40.887 38.000 -0.021 0.000 1.242 163 I HN 0.157 8.343 8.210 -0.040 0.000 0.452 164 S N -0.463 115.113 115.700 -0.206 0.000 2.614 164 S HA 0.024 4.411 4.470 -0.138 0.000 0.265 164 S C 0.942 175.393 174.600 -0.248 0.000 1.303 164 S CA -0.338 57.703 58.200 -0.265 0.000 1.000 164 S CB 1.437 64.321 63.200 -0.527 0.000 0.935 164 S HN 0.426 8.570 8.310 -0.277 0.000 0.551 165 H N 3.226 122.252 119.070 -0.073 0.000 2.357 165 H HA -0.186 4.362 4.556 -0.013 0.000 0.301 165 H C 2.341 177.617 175.328 -0.086 0.000 1.082 165 H CA 4.850 60.874 56.048 -0.040 0.000 1.342 165 H CB -0.129 29.628 29.762 -0.008 0.000 1.389 165 H HN 0.749 9.072 8.280 0.071 0.000 0.511 166 R N -0.711 119.782 120.500 -0.012 0.000 2.096 166 R HA -0.352 3.966 4.340 -0.037 0.000 0.240 166 R C 1.760 177.952 176.300 -0.181 0.000 1.139 166 R CA 3.192 59.242 56.100 -0.083 0.000 0.952 166 R CB -0.733 29.500 30.300 -0.113 0.000 0.854 166 R HN 0.335 8.608 8.270 0.005 0.000 0.436 167 E N -1.798 118.246 120.200 -0.259 0.000 2.047 167 E HA -0.291 3.793 4.350 -0.442 0.000 0.191 167 E C 2.144 178.371 176.600 -0.621 0.000 0.987 167 E CA 2.667 58.810 56.400 -0.428 0.000 0.799 167 E CB 0.006 29.496 29.700 -0.349 0.000 0.752 167 E HN -0.727 7.481 8.360 -0.248 0.002 0.449 168 c N -1.069 117.344 118.600 -0.312 0.000 2.435 168 c HA -0.292 4.250 4.570 -0.046 0.000 0.279 168 c C 0.176 174.246 174.090 -0.034 0.000 1.321 168 c CA 2.011 58.272 56.329 -0.112 0.000 1.752 168 c CB -0.997 41.532 42.510 0.031 0.000 1.959 168 c HN -0.258 7.837 8.230 -0.224 0.000 0.500 169 Q N -0.512 119.264 119.800 -0.040 0.000 2.678 169 Q HA 0.193 4.793 4.340 0.120 -0.187 0.222 169 Q C 0.740 176.720 176.000 -0.032 0.000 1.281 169 Q CA -0.786 55.039 55.803 0.036 0.000 0.994 169 Q CB -1.682 27.097 28.738 0.070 0.000 1.452 169 Q HN 0.085 8.291 8.270 -0.072 0.021 0.570 170 H N -0.213 118.920 119.070 0.104 0.000 2.617 170 H HA -0.446 4.133 4.556 0.038 0.000 0.322 170 H C -0.488 174.888 175.328 0.080 0.000 0.935 170 H CA 1.904 58.002 56.048 0.084 0.000 1.114 170 H CB -1.279 28.521 29.762 0.064 0.000 1.366 170 H HN 0.262 8.789 8.280 0.411 0.000 0.441 171 Y N -1.558 118.517 120.300 -0.374 0.000 2.845 171 Y HA 0.416 4.859 4.550 -0.551 -0.224 0.144 171 Y C 0.564 176.248 175.900 -0.360 0.000 0.890 171 Y CA -0.916 56.885 58.100 -0.499 0.000 1.725 171 Y CB 1.616 39.789 38.460 -0.479 0.000 1.172 171 Y HN -0.508 7.778 8.280 0.010 0.000 0.385 172 Y N -4.821 115.594 120.300 0.191 0.000 2.500 172 Y HA 0.064 4.711 4.550 0.161 0.000 0.246 172 Y C 0.152 176.138 175.900 0.143 0.000 1.146 172 Y CA -0.886 57.319 58.100 0.175 0.000 1.230 172 Y CB 1.523 40.129 38.460 0.244 0.000 1.214 172 Y HN -0.172 8.200 8.280 0.155 0.000 0.526 173 G N 0.064 109.000 108.800 0.226 0.000 2.564 173 G HA2 -0.491 3.672 3.960 0.111 0.000 0.273 173 G HA3 -0.491 3.555 3.960 0.144 0.000 0.273 173 G C 0.337 175.338 174.900 0.168 0.000 1.242 173 G CA 1.087 46.280 45.100 0.156 0.000 0.951 173 G HN -0.724 7.669 8.290 0.171 0.000 0.564 174 S N 1.885 117.664 115.700 0.131 0.000 2.660 174 S HA -0.124 4.420 4.470 0.124 0.000 0.223 174 S C 0.525 175.213 174.600 0.147 0.000 0.963 174 S CA 1.189 59.461 58.200 0.121 0.000 0.932 174 S CB -0.725 62.521 63.200 0.077 0.000 0.775 174 S HN 0.252 8.627 8.310 0.108 0.000 0.531 175 E N -0.408 119.900 120.200 0.179 0.000 2.204 175 E HA -0.216 4.192 4.350 0.096 0.000 0.195 175 E C -0.392 176.359 176.600 0.252 0.000 0.990 175 E CA 1.929 58.421 56.400 0.155 0.000 0.821 175 E CB 0.317 30.092 29.700 0.124 0.000 0.750 175 E HN -0.612 7.779 8.360 0.203 0.091 0.477 176 V N -0.625 119.475 119.914 0.310 0.000 2.465 176 V HA -0.019 4.324 4.120 0.371 0.000 0.279 176 V C -0.477 175.768 176.094 0.252 0.000 1.045 176 V CA 0.221 62.715 62.300 0.322 0.000 0.938 176 V CB 0.352 32.367 31.823 0.320 0.000 0.986 176 V HN -0.898 7.441 8.190 0.300 0.031 0.467 177 T N 2.404 117.101 114.554 0.239 0.000 2.870 177 T HA 0.426 4.851 4.350 0.125 0.000 0.277 177 T C 1.063 175.821 174.700 0.096 0.000 1.000 177 T CA -2.141 60.055 62.100 0.160 0.000 0.982 177 T CB 1.929 70.904 68.868 0.180 0.000 1.249 177 T HN -0.459 7.937 8.240 0.260 0.000 0.589 178 T N -6.291 108.246 114.554 -0.029 0.000 3.072 178 T HA -0.104 3.944 4.350 -0.504 0.000 0.266 178 T C 0.996 175.607 174.700 -0.147 0.000 1.127 178 T CA 1.761 63.739 62.100 -0.203 0.000 1.107 178 T CB -0.174 68.611 68.868 -0.138 0.000 0.910 178 T HN 0.252 8.491 8.240 -0.003 0.000 0.513 179 K N 0.263 120.661 120.400 -0.003 0.000 2.437 179 K HA 0.109 4.341 4.320 -0.147 0.000 0.198 179 K C -1.496 175.193 176.600 0.148 0.000 1.024 179 K CA -0.309 55.993 56.287 0.024 0.000 1.148 179 K CB 0.062 32.627 32.500 0.110 0.000 0.860 179 K HN -0.609 7.619 8.250 0.060 0.058 0.515 180 M N -1.953 117.743 119.600 0.161 0.000 2.690 180 M HA 0.731 5.478 4.480 0.191 -0.152 0.302 180 M C -1.916 174.516 176.300 0.221 0.000 1.234 180 M CA -0.843 54.576 55.300 0.198 0.000 0.853 180 M CB 5.493 38.218 32.600 0.209 0.000 1.748 180 M HN -0.570 7.621 8.290 0.152 0.190 0.469 181 L N -3.134 118.176 121.223 0.144 0.000 2.409 181 L HA 0.486 4.783 4.340 -0.073 0.000 0.262 181 L C -1.993 174.916 176.870 0.065 0.000 0.992 181 L CA -1.268 53.600 54.840 0.047 0.000 0.817 181 L CB 4.819 46.903 42.059 0.042 0.000 1.350 181 L HN 0.388 8.710 8.230 0.153 0.000 0.411 182 c N 0.308 118.893 118.600 -0.024 0.000 2.493 182 c HA 1.001 5.847 4.570 0.147 -0.187 0.326 182 c C -1.237 172.873 174.090 0.033 0.000 1.200 182 c CA -1.269 55.095 56.329 0.059 0.000 1.739 182 c CB 2.470 45.001 42.510 0.035 0.000 2.300 182 c HN 0.848 8.990 8.230 -0.146 0.000 0.500 183 A N 2.030 124.912 122.820 0.103 0.000 2.455 183 A HA 1.087 5.540 4.320 -0.055 -0.166 0.300 183 A C -2.606 174.994 177.584 0.028 0.000 1.040 183 A CA -1.076 50.953 52.037 -0.012 0.000 0.697 183 A CB 3.505 22.384 19.000 -0.202 0.000 1.265 183 A HN 0.432 8.719 8.150 0.228 0.000 0.407 184 A N 0.970 123.740 122.820 -0.084 0.000 4.431 184 A HA 0.485 4.755 4.320 -0.083 0.000 0.247 184 A C -0.546 176.856 177.584 -0.303 0.000 0.974 184 A CA -0.265 51.657 52.037 -0.193 0.000 0.633 184 A CB 2.144 20.915 19.000 -0.382 0.000 1.698 184 A HN 0.613 8.696 8.150 -0.112 0.000 0.843 185 Q N -0.802 118.807 119.800 -0.319 0.000 2.068 185 Q HA -0.464 3.878 4.340 0.004 0.000 0.257 185 Q C -0.722 175.277 176.000 -0.002 0.000 0.955 185 Q CA 0.990 56.729 55.803 -0.107 0.000 0.982 185 Q CB -1.362 27.360 28.738 -0.026 0.000 1.450 185 Q HN 0.540 8.643 8.270 -0.277 0.000 0.605 186 W N -8.139 113.149 121.300 -0.020 0.000 6.170 186 W HA -0.278 4.364 4.660 -0.030 0.000 0.394 186 W C -0.584 175.922 176.519 -0.023 0.000 1.480 186 W CA 0.294 57.621 57.345 -0.030 0.000 1.027 186 W CB -2.928 26.504 29.460 -0.047 0.000 2.638 186 W HN 0.057 7.711 8.180 -0.876 0.000 1.547 187 K N -3.519 116.917 120.400 0.059 0.000 2.335 187 K HA 0.103 4.465 4.320 0.070 0.000 0.195 187 K C -0.092 176.519 176.600 0.018 0.000 1.058 187 K CA 0.706 57.017 56.287 0.041 0.000 0.988 187 K CB 2.111 34.616 32.500 0.008 0.000 0.880 187 K HN -0.047 8.476 8.250 -0.031 -0.292 0.513 188 T N -2.308 112.244 114.554 -0.003 0.000 2.916 188 T HA 0.288 4.769 4.350 -0.006 -0.134 0.292 188 T C -1.768 172.938 174.700 0.010 0.000 1.064 188 T CA -1.994 60.099 62.100 -0.011 0.000 1.011 188 T CB 1.632 70.475 68.868 -0.042 0.000 1.152 188 T HN -0.798 7.537 8.240 -0.023 -0.109 0.510 189 D N 1.320 121.732 120.400 0.019 0.000 2.804 189 D HA 0.252 4.928 4.640 0.060 0.000 0.309 189 D C -2.148 174.183 176.300 0.050 0.000 1.311 189 D CA -0.498 53.534 54.000 0.053 0.000 0.765 189 D CB 2.485 43.333 40.800 0.081 0.000 1.293 189 D HN -0.306 8.065 8.370 0.003 0.000 0.434 190 S N -1.693 114.051 115.700 0.074 0.000 2.693 190 S HA 0.220 4.797 4.470 0.043 -0.081 0.276 190 S C -1.623 173.002 174.600 0.042 0.000 1.192 190 S CA -0.339 57.895 58.200 0.056 0.000 0.994 190 S CB 1.617 64.855 63.200 0.064 0.000 1.012 190 S HN 0.283 8.651 8.310 0.097 0.000 0.550 191 c N -1.593 117.032 118.600 0.042 0.000 3.293 191 c HA 0.234 4.842 4.570 0.063 0.000 0.362 191 c C -1.461 172.677 174.090 0.080 0.000 1.539 191 c CA -0.617 55.750 56.329 0.063 0.000 1.201 191 c CB 3.150 45.703 42.510 0.072 0.000 1.770 191 c HN 0.387 8.911 8.230 0.037 -0.272 0.440 192 Q N 1.859 121.730 119.800 0.118 0.000 2.283 192 Q HA -0.320 4.108 4.340 0.147 0.000 0.301 192 Q C 0.804 176.896 176.000 0.153 0.000 1.063 192 Q CA 2.332 58.234 55.803 0.164 0.000 0.952 192 Q CB 0.603 29.465 28.738 0.207 0.000 1.166 192 Q HN 0.588 8.930 8.270 0.120 0.000 0.381 193 G N 6.079 114.937 108.800 0.096 0.000 2.254 193 G HA2 -0.384 3.521 3.960 -0.092 0.000 0.225 193 G HA3 -0.384 3.195 3.960 -0.636 0.000 0.225 193 G C 0.548 175.426 174.900 -0.037 0.000 1.003 193 G CA 0.769 45.766 45.100 -0.172 0.000 0.622 193 G HN 0.923 9.293 8.290 0.133 0.000 0.507 194 D N 1.232 121.646 120.400 0.024 0.000 2.348 194 D HA 0.060 4.766 4.640 0.110 0.000 0.211 194 D C 0.095 176.444 176.300 0.082 0.000 0.998 194 D CA 0.882 54.925 54.000 0.071 0.000 0.873 194 D CB 0.475 41.304 40.800 0.049 0.000 0.925 194 D HN 0.251 8.446 8.370 0.036 0.197 0.524 195 S N -0.812 114.921 115.700 0.054 0.000 2.571 195 S HA -0.560 4.089 4.470 0.055 -0.146 0.298 195 S C 1.056 175.625 174.600 -0.052 0.000 1.280 195 S CA 2.619 60.833 58.200 0.023 0.000 1.052 195 S CB 0.138 63.347 63.200 0.015 0.000 0.799 195 S HN -0.337 7.967 8.310 0.064 0.044 0.501 196 G N 4.001 112.771 108.800 -0.050 0.000 2.267 196 G HA2 -0.475 3.450 3.960 -0.058 0.000 0.257 196 G HA3 -0.475 3.529 3.960 -0.120 -0.116 0.257 196 G C -0.241 174.687 174.900 0.047 0.000 0.998 196 G CA 0.276 45.346 45.100 -0.051 0.000 0.620 196 G HN 0.951 9.124 8.290 -0.019 0.105 0.529 197 G N 0.605 109.485 108.800 0.134 0.000 2.621 197 G HA2 0.382 4.480 3.960 0.230 0.000 0.271 197 G HA3 0.382 4.575 3.960 0.388 0.000 0.271 197 G C -2.791 172.253 174.900 0.240 0.000 1.236 197 G CA -1.931 43.327 45.100 0.263 0.000 0.958 197 G HN -0.493 7.782 8.290 0.123 0.089 0.512 198 P HA 0.487 5.150 4.420 0.167 -0.143 0.287 198 P C -2.004 175.396 177.300 0.167 0.000 1.270 198 P CA -1.476 61.750 63.100 0.211 0.000 0.844 198 P CB 2.132 33.971 31.700 0.231 0.000 1.068 199 L N 3.323 124.592 121.223 0.077 0.000 2.316 199 L HA 0.531 4.988 4.340 -0.061 -0.153 0.280 199 L C -2.015 174.816 176.870 -0.065 0.000 1.006 199 L CA -1.044 53.754 54.840 -0.069 0.000 0.836 199 L CB 1.945 43.834 42.059 -0.284 0.000 1.221 199 L HN 0.227 8.499 8.230 0.070 0.000 0.418 200 V N 8.176 128.061 119.914 -0.049 0.000 2.459 200 V HA 0.851 5.143 4.120 -0.117 -0.242 0.295 200 V C -1.013 175.036 176.094 -0.074 0.000 1.029 200 V CA -1.506 60.748 62.300 -0.076 0.000 0.874 200 V CB 2.088 33.888 31.823 -0.038 0.000 0.985 200 V HN 0.809 8.985 8.190 -0.024 0.000 0.438 201 c N 5.662 124.208 118.600 -0.090 0.000 2.889 201 c HA 0.431 4.963 4.570 -0.063 0.000 0.307 201 c C -1.210 172.838 174.090 -0.071 0.000 1.251 201 c CA -1.550 54.735 56.329 -0.075 0.000 1.593 201 c CB 4.050 46.514 42.510 -0.078 0.000 2.104 201 c HN 0.828 8.993 8.230 -0.109 0.000 0.476 202 S N 1.451 117.118 115.700 -0.055 0.000 2.513 202 S HA 0.691 5.346 4.470 -0.056 -0.218 0.276 202 S C -0.688 173.884 174.600 -0.048 0.000 1.254 202 S CA -0.141 58.029 58.200 -0.049 0.000 1.053 202 S CB 0.484 63.663 63.200 -0.035 0.000 0.958 202 S HN 0.415 8.695 8.310 -0.051 0.000 0.491 203 L N 4.819 126.014 121.223 -0.047 0.000 2.436 203 L HA 0.365 4.684 4.340 -0.035 0.000 0.268 203 L C -0.945 175.906 176.870 -0.031 0.000 0.974 203 L CA -0.262 54.556 54.840 -0.037 0.000 0.826 203 L CB 3.703 45.742 42.059 -0.035 0.000 1.291 203 L HN 0.662 8.754 8.230 -0.051 0.106 0.406 204 Q N 4.355 124.140 119.800 -0.024 0.000 2.408 204 Q HA -0.338 3.991 4.340 -0.017 0.000 0.290 204 Q C -0.581 175.408 176.000 -0.019 0.000 1.221 204 Q CA 1.115 56.907 55.803 -0.019 0.000 0.895 204 Q CB -1.553 27.176 28.738 -0.015 0.000 1.241 204 Q HN 0.985 9.240 8.270 -0.024 0.000 0.494 205 G N -5.874 102.913 108.800 -0.021 0.000 2.179 205 G HA2 -0.404 3.547 3.960 -0.015 0.000 0.260 205 G HA3 -0.404 3.549 3.960 -0.013 0.000 0.260 205 G C -1.012 173.876 174.900 -0.020 0.000 0.977 205 G CA -0.159 44.931 45.100 -0.017 0.000 0.641 205 G HN 0.072 8.332 8.290 -0.024 0.016 0.533 206 R N -0.384 120.098 120.500 -0.031 0.000 2.832 206 R HA 0.330 4.651 4.340 -0.032 0.000 0.271 206 R C -1.454 174.803 176.300 -0.071 0.000 0.996 206 R CA -1.933 54.141 56.100 -0.045 0.000 0.977 206 R CB 2.308 32.577 30.300 -0.052 0.000 1.168 206 R HN 0.109 8.181 8.270 -0.034 0.177 0.482 207 M N 2.178 121.717 119.600 -0.102 0.000 2.105 207 M HA 0.301 4.865 4.480 -0.111 -0.150 0.350 207 M C -0.413 175.743 176.300 -0.241 0.000 1.308 207 M CA -1.494 53.712 55.300 -0.157 0.000 1.108 207 M CB -0.877 31.610 32.600 -0.189 0.000 1.622 207 M HN 0.738 8.973 8.290 -0.092 0.000 0.468 208 T N 5.241 119.680 114.554 -0.192 0.000 2.888 208 T HA 0.427 4.825 4.350 -0.202 -0.170 0.284 208 T C -1.505 173.084 174.700 -0.184 0.000 1.017 208 T CA -0.757 61.236 62.100 -0.178 0.000 1.022 208 T CB 2.554 71.361 68.868 -0.102 0.000 1.013 208 T HN 0.946 9.099 8.240 -0.146 0.000 0.465 209 L N 5.821 126.942 121.223 -0.171 0.000 2.385 209 L HA 0.118 4.484 4.340 -0.139 -0.110 0.285 209 L C -0.932 175.904 176.870 -0.057 0.000 1.125 209 L CA -0.332 54.434 54.840 -0.122 0.000 0.890 209 L CB -0.289 41.714 42.059 -0.094 0.000 1.251 209 L HN 0.639 8.771 8.230 -0.163 0.000 0.445 210 T N 7.151 121.672 114.554 -0.055 0.000 3.010 210 T HA 0.058 4.404 4.350 -0.008 0.000 0.252 210 T C -0.022 174.681 174.700 0.005 0.000 1.047 210 T CA 2.918 65.001 62.100 -0.028 0.000 1.140 210 T CB 0.915 69.746 68.868 -0.061 0.000 0.885 210 T HN 0.368 8.562 8.240 -0.077 0.000 0.464 211 G N -1.717 107.084 108.800 0.002 0.000 2.694 211 G HA2 0.639 4.876 3.960 0.115 0.000 0.290 211 G HA3 0.639 4.645 3.960 0.077 0.000 0.290 211 G C -3.263 171.734 174.900 0.161 0.000 1.386 211 G CA -0.728 44.426 45.100 0.090 0.000 0.872 211 G HN -0.560 7.714 8.290 -0.026 0.000 0.475 212 I N -0.809 119.895 120.570 0.224 0.000 2.436 212 I HA 0.557 5.032 4.170 0.179 -0.197 0.289 212 I C -0.300 175.942 176.117 0.209 0.000 1.010 212 I CA -1.360 60.046 61.300 0.177 0.000 1.098 212 I CB 3.633 41.671 38.000 0.063 0.000 1.266 212 I HN -0.335 8.091 8.210 0.232 -0.076 0.434 213 V N 7.835 127.859 119.914 0.183 0.000 2.475 213 V HA -0.281 3.519 4.120 -0.533 0.000 0.292 213 V C -1.163 174.879 176.094 -0.087 0.000 1.003 213 V CA 2.260 64.506 62.300 -0.090 0.000 1.120 213 V CB -1.215 30.624 31.823 0.027 0.000 0.937 213 V HN 0.640 8.957 8.190 0.212 0.000 0.476 214 S N 7.667 123.252 115.700 -0.193 0.000 3.142 214 S HA 0.359 4.946 4.470 0.194 0.000 0.223 214 S C -1.334 173.397 174.600 0.218 0.000 0.939 214 S CA 1.189 59.445 58.200 0.093 0.000 0.826 214 S CB 2.165 65.467 63.200 0.170 0.000 0.823 214 S HN 0.139 8.137 8.310 -0.520 0.000 0.612 215 W N -3.442 117.792 121.300 -0.110 0.000 2.962 215 W HA 0.291 4.914 4.660 -0.061 0.000 0.405 215 W C -2.590 173.841 176.519 -0.147 0.000 1.121 215 W CA -1.209 56.074 57.345 -0.104 0.000 1.164 215 W CB 1.201 30.581 29.460 -0.134 0.000 1.489 215 W HN -0.489 7.427 8.180 -0.440 0.000 0.599 216 G N -3.354 105.538 108.800 0.154 0.000 2.361 216 G HA2 0.031 3.841 3.960 -0.249 0.000 0.299 216 G HA3 0.031 3.974 3.960 -0.027 0.000 0.299 216 G C -2.425 172.600 174.900 0.207 0.000 1.544 216 G CA 0.244 45.351 45.100 0.012 0.000 0.860 216 G HN -0.208 8.327 8.290 0.408 0.000 0.610 220 c N 0.638 119.280 118.600 0.069 0.000 2.535 220 c HA 0.113 4.731 4.570 0.079 0.000 0.319 220 c C -0.439 173.696 174.090 0.075 0.000 1.171 220 c CA -0.515 55.858 56.329 0.074 0.000 1.394 220 c CB 1.235 43.787 42.510 0.070 0.000 1.990 220 c HN 0.257 8.523 8.230 0.059 0.000 0.466 221 A N 3.189 126.068 122.820 0.099 0.000 2.687 221 A HA -0.362 4.068 4.320 0.183 0.000 0.299 221 A C -1.558 176.104 177.584 0.130 0.000 1.497 221 A CA 1.004 53.121 52.037 0.134 0.000 0.751 221 A CB -1.382 17.674 19.000 0.094 0.000 1.048 221 A HN 0.623 9.155 8.150 0.103 -0.320 0.464 222 L N -2.487 118.791 121.223 0.091 0.000 2.617 222 L HA -0.010 4.307 4.340 -0.038 0.000 0.193 222 L C 1.232 177.953 176.870 -0.249 0.000 1.655 222 L CA -0.615 54.196 54.840 -0.049 0.000 3.079 222 L CB 0.581 42.588 42.059 -0.086 0.000 2.896 222 L HN -0.603 7.692 8.230 0.107 0.000 0.876 223 D N -4.541 114.467 120.400 -2.320 0.000 3.171 223 D HA -0.355 2.899 4.640 -2.309 0.000 0.198 223 D C -1.054 174.438 176.300 -1.346 0.000 1.181 223 D CA 2.030 54.913 54.000 -1.862 0.000 0.695 223 D CB -1.207 38.871 40.800 -1.205 0.000 1.020 223 D HN 0.200 6.016 8.370 -4.256 0.000 0.396 224 K N -3.088 116.795 120.400 -0.862 0.000 2.624 224 K HA 0.537 4.326 4.320 -0.885 0.000 0.200 224 K C -2.448 174.119 176.600 -0.056 0.000 1.036 224 K CA -3.841 52.155 56.287 -0.485 0.000 1.029 224 K CB 0.162 32.538 32.500 -0.207 0.000 1.317 224 K HN -0.794 6.895 8.250 -0.936 0.000 0.555 225 P HA -0.042 4.588 4.420 0.349 0.000 0.274 225 P C -0.980 176.438 177.300 0.196 0.000 1.260 225 P CA -0.300 62.948 63.100 0.247 0.000 0.793 225 P CB 1.054 32.900 31.700 0.244 0.000 1.048 226 G N -2.493 106.397 108.800 0.149 0.000 2.425 226 G HA2 0.580 4.475 3.960 -0.109 0.000 0.302 226 G HA3 0.580 4.543 3.960 0.004 0.000 0.302 226 G C -2.108 172.704 174.900 -0.147 0.000 1.159 226 G CA -1.086 43.994 45.100 -0.033 0.000 0.865 226 G HN -0.004 8.404 8.290 0.198 0.000 0.515 227 V N 1.917 121.460 119.914 -0.617 0.000 2.555 227 V HA 0.763 4.939 4.120 -0.185 -0.167 0.302 227 V C -1.148 174.539 176.094 -0.679 0.000 1.038 227 V CA -1.261 60.658 62.300 -0.634 0.000 0.887 227 V CB 2.553 33.494 31.823 -1.469 0.000 0.991 227 V HN 0.435 8.175 8.190 -0.751 0.000 0.434 228 Y N 4.069 124.273 120.300 -0.160 0.000 2.524 228 Y HA 0.640 5.324 4.550 -0.029 -0.151 0.344 228 Y C 0.270 176.180 175.900 0.016 0.000 1.012 228 Y CA -2.373 55.700 58.100 -0.046 0.000 1.068 228 Y CB 3.789 42.234 38.460 -0.026 0.000 1.249 228 Y HN 1.082 9.476 8.280 0.189 0.000 0.468 229 T N 4.219 118.874 114.554 0.168 0.000 2.884 229 T HA -0.006 4.452 4.350 0.180 0.000 0.298 229 T C -0.865 173.950 174.700 0.191 0.000 0.998 229 T CA 1.496 63.682 62.100 0.144 0.000 1.124 229 T CB 0.707 69.563 68.868 -0.019 0.000 0.931 229 T HN 0.356 8.685 8.240 0.148 0.000 0.531 230 R N 8.058 128.706 120.500 0.247 0.000 2.429 230 R HA 0.079 4.505 4.340 0.143 0.000 0.302 230 R C 1.118 177.602 176.300 0.307 0.000 1.268 230 R CA -0.545 55.669 56.100 0.190 0.000 1.090 230 R CB -0.233 30.089 30.300 0.036 0.000 1.102 230 R HN 0.138 8.588 8.270 0.299 0.000 0.522 231 V N 7.425 127.479 119.914 0.235 0.000 2.370 231 V HA -0.566 3.756 4.120 0.336 0.000 0.252 231 V C 1.361 177.585 176.094 0.217 0.000 1.068 231 V CA 3.900 66.348 62.300 0.246 0.000 1.061 231 V CB -0.279 31.614 31.823 0.117 0.000 0.656 231 V HN 0.127 8.415 8.190 0.164 0.000 0.455 232 S N 0.131 115.926 115.700 0.159 0.000 2.440 232 S HA -0.348 4.113 4.470 -0.015 0.000 0.238 232 S C 1.260 175.769 174.600 -0.151 0.000 1.010 232 S CA 3.429 61.664 58.200 0.059 0.000 0.972 232 S CB -0.207 63.085 63.200 0.153 0.000 0.774 232 S HN 0.244 8.626 8.310 0.162 0.025 0.501 233 H N 0.655 119.578 119.070 -0.246 0.000 2.539 233 H HA 0.023 4.012 4.556 -0.944 0.000 0.269 233 H C -0.094 174.850 175.328 -0.640 0.000 0.980 233 H CA 1.606 57.339 56.048 -0.526 0.000 1.152 233 H CB -0.009 29.562 29.762 -0.319 0.000 1.407 233 H HN -0.334 7.970 8.280 0.299 0.155 0.564 234 F N -4.230 115.714 119.950 -0.011 0.000 2.688 234 F HA 0.116 4.715 4.527 0.121 0.000 0.310 234 F C 0.047 175.918 175.800 0.119 0.000 1.098 234 F CA -0.035 58.020 58.000 0.090 0.000 1.228 234 F CB 0.853 39.920 39.000 0.112 0.000 1.042 234 F HN -0.333 7.897 8.300 0.182 0.179 0.557 235 L N 1.574 122.853 121.223 0.094 0.000 2.043 235 L HA -0.345 4.055 4.340 0.100 0.000 0.212 235 L C -1.153 175.766 176.870 0.082 0.000 1.075 235 L CA 6.026 60.900 54.840 0.056 0.000 0.752 235 L CB -2.747 39.272 42.059 -0.067 0.000 0.891 235 L HN -0.067 8.071 8.230 -0.060 0.057 0.432 236 P HA -0.184 4.261 4.420 0.042 0.000 0.215 236 P C 0.990 178.394 177.300 0.173 0.000 1.157 236 P CA 3.020 66.178 63.100 0.097 0.000 0.863 236 P CB -0.527 31.233 31.700 0.100 0.000 0.787 237 W N -1.510 119.873 121.300 0.138 0.000 2.315 237 W HA -0.310 4.481 4.660 0.218 0.000 0.323 237 W C 1.941 178.584 176.519 0.207 0.000 1.233 237 W CA 3.389 60.875 57.345 0.235 0.000 1.267 237 W CB -0.260 29.444 29.460 0.407 0.000 1.160 237 W HN -0.448 7.995 8.180 0.439 0.000 0.474 238 I N -1.001 119.751 120.570 0.303 0.000 2.091 238 I HA -0.734 3.328 4.170 -0.181 0.000 0.239 238 I C 2.317 178.328 176.117 -0.176 0.000 1.061 238 I CA 4.578 65.875 61.300 -0.006 0.000 1.317 238 I CB -0.372 37.678 38.000 0.083 0.000 1.031 238 I HN 0.347 8.870 8.210 0.522 0.000 0.401 239 R N -1.650 118.790 120.500 -0.100 0.000 2.091 239 R HA -0.238 4.206 4.340 -0.184 -0.215 0.238 239 R C 2.158 178.325 176.300 -0.221 0.000 1.136 239 R CA 2.544 58.553 56.100 -0.151 0.000 0.959 239 R CB -0.027 30.222 30.300 -0.085 0.000 0.856 239 R HN 0.077 8.339 8.270 -0.014 0.000 0.437 240 S N -1.966 113.592 115.700 -0.237 0.000 2.402 240 S HA -0.184 4.107 4.470 -0.299 0.000 0.233 240 S C 0.778 174.995 174.600 -0.638 0.000 1.030 240 S CA 2.569 60.523 58.200 -0.409 0.000 1.003 240 S CB 0.078 62.983 63.200 -0.491 0.000 0.813 240 S HN 0.277 8.304 8.310 -0.147 0.195 0.477 241 H N -3.586 115.190 119.070 -0.490 0.000 2.885 241 H HA 0.284 4.616 4.556 -0.373 0.000 0.260 241 H C -0.157 174.750 175.328 -0.703 0.000 0.985 241 H CA 0.408 56.124 56.048 -0.554 0.000 1.210 241 H CB 1.449 30.766 29.762 -0.742 0.000 1.466 241 H HN -0.406 7.509 8.280 -0.370 0.143 0.493 242 T N 0.000 114.195 114.554 -0.599 0.000 3.816 242 T HA 0.000 3.834 4.350 -0.860 0.000 0.228 242 T CA 0.000 61.661 62.100 -0.732 0.000 1.349 242 T CB 0.000 68.310 68.868 -0.930 0.000 0.612 242 T HN 0.000 7.858 8.240 -0.460 0.107 0.658