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 1psy_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEFMESKGER EGSSSQQcRQ EVQRKDLSSc ERYLRQSSSR RSTGEEVLRM DATA SEQUENCE PGDENQQQES QQLQQccNQV KQVRDEcQcE AIKYIAEDQI QQGQLHGEES DATA SEQUENCE ERVAQRAGEI VSScGVRcMR QTRTN 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 A HA 0.000 4.343 4.320 0.038 0.000 0.244 1 A C 0.000 177.617 177.584 0.055 0.000 1.274 1 A CA 0.000 52.064 52.037 0.045 0.000 0.836 1 A CB 0.000 19.010 19.000 0.016 0.000 0.831 2 E N -1.852 118.385 120.200 0.061 0.000 2.445 2 E HA 0.672 5.083 4.350 0.101 0.000 0.279 2 E C -2.103 174.561 176.600 0.105 0.000 1.018 2 E CA -0.803 55.639 56.400 0.070 0.000 0.816 2 E CB 2.393 32.097 29.700 0.006 0.000 1.356 2 E HN 0.444 8.830 8.360 0.042 0.000 0.462 3 F N 0.742 120.692 119.950 0.000 0.000 3.348 3 F HA 0.360 4.887 4.527 0.000 0.000 0.367 3 F C -1.656 174.145 175.800 0.000 0.000 1.214 3 F CA -0.140 57.860 58.000 0.000 0.000 1.323 3 F CB 1.764 40.764 39.000 0.000 0.000 1.721 3 F HN 0.334 8.725 8.300 0.153 0.000 0.733 4 M N 3.712 123.406 119.600 0.157 0.000 2.471 4 M HA 0.410 4.981 4.480 0.151 0.000 0.284 4 M C -1.805 174.538 176.300 0.072 0.000 1.203 4 M CA -0.057 55.313 55.300 0.118 0.000 0.915 4 M CB 3.867 36.507 32.600 0.067 0.000 1.734 4 M HN 0.404 8.709 8.290 0.024 0.000 0.485 5 E N 1.360 121.602 120.200 0.070 0.000 2.417 5 E HA 0.516 4.882 4.350 0.026 0.000 0.280 5 E C -2.220 174.403 176.600 0.039 0.000 1.112 5 E CA -0.488 55.939 56.400 0.045 0.000 0.863 5 E CB 3.364 33.095 29.700 0.052 0.000 1.346 5 E HN 0.610 9.016 8.360 0.077 0.000 0.443 6 S N 0.053 115.769 115.700 0.027 0.000 2.709 6 S HA 0.128 4.612 4.470 0.024 0.000 0.305 6 S C -2.292 172.317 174.600 0.015 0.000 0.974 6 S CA -0.389 57.824 58.200 0.021 0.000 0.837 6 S CB 0.531 63.743 63.200 0.019 0.000 1.032 6 S HN 0.221 8.544 8.310 0.022 0.000 0.461 7 K N 1.488 121.897 120.400 0.013 0.000 2.509 7 K HA 0.850 5.176 4.320 0.009 0.000 0.266 7 K C -1.643 174.962 176.600 0.009 0.000 0.987 7 K CA -1.248 55.045 56.287 0.010 0.000 0.868 7 K CB 2.700 35.206 32.500 0.010 0.000 1.421 7 K HN 0.442 8.701 8.250 0.015 0.000 0.444 8 G N 0.861 109.665 108.800 0.007 0.000 2.151 8 G HA2 0.078 4.041 3.960 0.005 0.000 0.183 8 G HA3 0.078 4.042 3.960 0.006 0.000 0.183 8 G C -2.125 172.778 174.900 0.005 0.000 1.472 8 G CA -0.568 44.535 45.100 0.006 0.000 1.060 8 G HN 0.513 8.807 8.290 0.006 0.000 0.641 9 E N 1.191 121.393 120.200 0.004 0.000 2.331 9 E HA 0.765 5.118 4.350 0.004 0.000 0.275 9 E C -0.829 175.772 176.600 0.003 0.000 0.895 9 E CA -0.829 55.573 56.400 0.004 0.000 0.753 9 E CB 2.457 32.160 29.700 0.004 0.000 1.216 9 E HN 0.349 8.712 8.360 0.004 0.000 0.434 10 R N 1.994 122.496 120.500 0.003 0.000 2.733 10 R HA 0.272 4.613 4.340 0.002 0.000 0.272 10 R C -1.654 174.648 176.300 0.002 0.000 1.029 10 R CA -0.651 55.450 56.100 0.002 0.000 0.888 10 R CB 1.833 32.133 30.300 0.001 0.000 1.251 10 R HN 0.204 8.476 8.270 0.003 0.000 0.464 11 E N 0.140 120.341 120.200 0.002 0.000 2.366 11 E HA 0.299 4.651 4.350 0.003 0.000 0.278 11 E C -1.475 175.126 176.600 0.001 0.000 0.923 11 E CA 0.016 56.418 56.400 0.003 0.000 0.761 11 E CB 1.606 31.309 29.700 0.005 0.000 1.231 11 E HN 0.310 8.671 8.360 0.001 0.000 0.443 12 G N -0.579 108.222 108.800 0.001 0.000 2.682 12 G HA2 0.313 4.271 3.960 -0.004 0.000 0.290 12 G HA3 0.313 4.270 3.960 -0.005 0.000 0.290 12 G C -1.360 173.541 174.900 0.002 0.000 1.425 12 G CA 0.511 45.610 45.100 -0.002 0.000 0.807 12 G HN -0.068 8.224 8.290 0.003 0.000 0.482 13 S N -0.473 115.226 115.700 -0.002 0.000 3.214 13 S HA 0.197 4.674 4.470 0.013 0.000 0.182 13 S C 0.166 174.767 174.600 0.001 0.000 0.728 13 S CA -0.250 57.954 58.200 0.007 0.000 0.814 13 S CB 1.274 64.484 63.200 0.016 0.000 0.859 13 S HN 0.192 8.495 8.310 -0.011 0.000 0.647 14 S N 1.433 117.126 115.700 -0.011 0.000 2.592 14 S HA -0.083 4.386 4.470 -0.002 0.000 0.247 14 S C 0.337 174.927 174.600 -0.015 0.000 1.322 14 S CA 0.191 58.382 58.200 -0.015 0.000 0.973 14 S CB 1.127 64.305 63.200 -0.037 0.000 0.971 14 S HN -0.355 7.941 8.310 -0.023 0.000 0.545 15 S N 1.386 117.075 115.700 -0.018 0.000 2.659 15 S HA -0.187 4.277 4.470 -0.010 0.000 0.243 15 S C 1.822 176.410 174.600 -0.020 0.000 1.375 15 S CA 0.894 59.085 58.200 -0.016 0.000 0.991 15 S CB 0.294 63.484 63.200 -0.015 0.000 0.898 15 S HN -0.323 8.165 8.310 -0.019 -0.191 0.520 16 Q N 1.121 120.911 119.800 -0.018 0.000 2.028 16 Q HA -0.285 4.047 4.340 -0.015 0.000 0.213 16 Q C -0.061 175.924 176.000 -0.025 0.000 1.017 16 Q CA 2.595 58.387 55.803 -0.018 0.000 0.875 16 Q CB 0.229 28.958 28.738 -0.016 0.000 0.962 16 Q HN 0.489 8.749 8.270 -0.015 0.000 0.413 17 Q N -8.180 111.600 119.800 -0.033 0.000 2.601 17 Q HA 0.202 4.512 4.340 -0.049 0.000 0.284 17 Q C -1.094 174.869 176.000 -0.062 0.000 0.736 17 Q CA -1.108 54.668 55.803 -0.046 0.000 1.048 17 Q CB -0.436 28.280 28.738 -0.037 0.000 1.438 17 Q HN -0.175 8.076 8.270 -0.032 0.000 0.370 18 c N 2.688 121.248 118.600 -0.067 0.000 2.587 18 c HA -0.146 4.384 4.570 -0.068 0.000 0.282 18 c C 1.511 175.515 174.090 -0.143 0.000 1.277 18 c CA 3.245 59.526 56.329 -0.081 0.000 1.702 18 c CB -0.687 41.787 42.510 -0.060 0.000 2.113 18 c HN 0.248 8.444 8.230 -0.057 0.000 0.490 19 R N -0.105 120.281 120.500 -0.189 0.000 2.178 19 R HA -0.554 3.463 4.340 -0.538 0.000 0.257 19 R C 2.006 178.070 176.300 -0.394 0.000 1.163 19 R CA 3.997 59.872 56.100 -0.374 0.000 0.981 19 R CB -0.474 29.656 30.300 -0.283 0.000 0.878 19 R HN 0.184 8.374 8.270 -0.133 0.000 0.454 20 Q N -1.614 118.060 119.800 -0.210 0.000 1.891 20 Q HA -0.311 3.944 4.340 -0.142 0.000 0.214 20 Q C 2.055 177.974 176.000 -0.134 0.000 0.995 20 Q CA 3.275 58.990 55.803 -0.146 0.000 0.866 20 Q CB -0.576 28.111 28.738 -0.084 0.000 0.931 20 Q HN 0.339 8.499 8.270 -0.158 0.015 0.422 21 E N -1.034 119.107 120.200 -0.098 0.000 2.204 21 E HA -0.244 4.075 4.350 -0.052 0.000 0.195 21 E C 2.520 179.074 176.600 -0.077 0.000 0.990 21 E CA 2.582 58.941 56.400 -0.068 0.000 0.821 21 E CB -0.406 29.265 29.700 -0.047 0.000 0.750 21 E HN -0.221 8.085 8.360 -0.089 0.000 0.477 22 V N 0.131 119.968 119.914 -0.129 0.000 2.287 22 V HA -0.323 3.980 4.120 -0.057 -0.217 0.248 22 V C 2.515 178.546 176.094 -0.105 0.000 1.053 22 V CA 3.912 66.134 62.300 -0.130 0.000 1.027 22 V CB -0.419 31.279 31.823 -0.209 0.000 0.646 22 V HN 0.695 8.659 8.190 -0.154 0.134 0.447 23 Q N -4.509 115.157 119.800 -0.223 0.000 2.283 23 Q HA -0.125 4.390 4.340 0.291 0.000 0.223 23 Q C -0.818 175.222 176.000 0.065 0.000 0.918 23 Q CA 1.442 57.257 55.803 0.020 0.000 0.952 23 Q CB -1.460 27.251 28.738 -0.045 0.000 1.030 23 Q HN -0.182 7.876 8.270 -0.354 0.000 0.452 24 R N -4.239 116.280 120.500 0.032 0.000 3.246 24 R HA 0.175 4.540 4.340 0.041 0.000 0.144 24 R C -0.296 176.020 176.300 0.026 0.000 0.772 24 R CA 0.861 56.978 56.100 0.027 0.000 1.364 24 R CB 2.721 33.024 30.300 0.004 0.000 1.665 24 R HN -0.156 7.996 8.270 0.016 0.128 0.520 25 K N -3.214 117.196 120.400 0.016 0.000 2.401 25 K HA 0.260 4.730 4.320 0.016 -0.140 0.230 25 K C -1.045 175.568 176.600 0.021 0.000 1.183 25 K CA 0.004 56.300 56.287 0.013 0.000 0.798 25 K CB 1.480 33.981 32.500 0.002 0.000 1.455 25 K HN -0.246 8.007 8.250 0.005 0.000 0.430 26 D N 1.136 121.545 120.400 0.015 0.000 2.474 26 D HA -0.270 4.381 4.640 0.019 0.000 0.232 26 D C 0.007 176.340 176.300 0.055 0.000 1.177 26 D CA 1.047 55.061 54.000 0.025 0.000 0.876 26 D CB 0.028 40.837 40.800 0.014 0.000 1.208 26 D HN -0.151 8.221 8.370 0.002 0.000 0.464 27 L N -0.729 120.528 121.223 0.057 0.000 4.983 27 L HA -0.345 4.025 4.340 0.050 0.000 0.389 27 L C -0.020 176.912 176.870 0.103 0.000 1.252 27 L CA 1.022 55.904 54.840 0.070 0.000 0.889 27 L CB -2.793 39.309 42.059 0.072 0.000 1.498 27 L HN 0.246 8.501 8.230 0.041 0.000 0.525 28 S N -0.856 114.893 115.700 0.082 0.000 3.073 28 S HA 0.037 4.581 4.470 0.124 0.000 0.252 28 S C -1.063 173.577 174.600 0.067 0.000 0.953 28 S CA -0.896 57.362 58.200 0.096 0.000 1.105 28 S CB 0.499 63.758 63.200 0.100 0.000 1.070 28 S HN 0.255 8.600 8.310 0.059 0.000 0.574 29 S N -2.069 113.667 115.700 0.059 0.000 1.946 29 S HA -0.154 4.356 4.470 0.067 0.000 0.223 29 S C 0.389 175.036 174.600 0.078 0.000 0.832 29 S CA 1.025 59.263 58.200 0.062 0.000 1.453 29 S CB 0.101 63.329 63.200 0.047 0.000 0.947 29 S HN -0.071 8.214 8.310 0.059 0.060 0.408 30 c N 3.060 121.693 118.600 0.055 0.000 2.398 30 c HA -0.280 4.313 4.570 0.038 0.000 0.276 30 c C 2.137 176.292 174.090 0.108 0.000 1.222 30 c CA 3.968 60.334 56.329 0.060 0.000 1.746 30 c CB -1.284 41.245 42.510 0.032 0.000 2.039 30 c HN 0.491 8.746 8.230 0.042 0.000 0.470 31 E N -1.302 118.941 120.200 0.071 0.000 2.216 31 E HA -0.264 4.123 4.350 0.063 0.000 0.192 31 E C 2.442 179.074 176.600 0.054 0.000 0.988 31 E CA 2.944 59.377 56.400 0.054 0.000 0.834 31 E CB -0.600 29.108 29.700 0.012 0.000 0.772 31 E HN 0.453 8.845 8.360 0.054 0.000 0.479 32 R N -0.373 120.164 120.500 0.062 0.000 2.120 32 R HA -0.343 4.010 4.340 0.021 0.000 0.234 32 R C 1.794 178.147 176.300 0.088 0.000 1.123 32 R CA 3.189 59.323 56.100 0.056 0.000 0.975 32 R CB -0.610 29.725 30.300 0.058 0.000 0.866 32 R HN 0.194 8.425 8.270 0.061 0.076 0.446 33 Y N 0.621 120.918 120.300 -0.005 0.000 2.097 33 Y HA -0.365 4.184 4.550 -0.002 0.000 0.282 33 Y C 1.105 177.002 175.900 -0.005 0.000 1.152 33 Y CA 3.421 61.519 58.100 -0.003 0.000 1.136 33 Y CB 0.012 38.471 38.460 -0.001 0.000 0.975 33 Y HN -0.009 8.298 8.280 0.249 0.122 0.498 34 L N -6.212 114.962 121.223 -0.083 0.000 2.313 34 L HA -0.120 4.009 4.340 -0.353 0.000 0.214 34 L C 1.508 178.308 176.870 -0.116 0.000 1.119 34 L CA 2.163 56.901 54.840 -0.170 0.000 0.809 34 L CB -0.475 41.565 42.059 -0.032 0.000 0.933 34 L HN -0.936 7.380 8.230 0.142 0.000 0.449 35 R N -1.963 118.501 120.500 -0.060 0.000 2.075 35 R HA -0.249 4.062 4.340 -0.049 0.000 0.232 35 R C 1.042 177.307 176.300 -0.059 0.000 1.126 35 R CA 2.187 58.258 56.100 -0.048 0.000 0.963 35 R CB 0.021 30.305 30.300 -0.027 0.000 0.858 35 R HN -0.295 7.845 8.270 -0.021 0.117 0.435 36 Q N -2.497 117.263 119.800 -0.066 0.000 2.225 36 Q HA 0.042 4.357 4.340 -0.043 0.000 0.177 36 Q C -0.134 175.805 176.000 -0.102 0.000 1.073 36 Q CA 0.203 55.970 55.803 -0.061 0.000 1.134 36 Q CB 1.092 29.813 28.738 -0.029 0.000 1.210 36 Q HN -0.131 7.992 8.270 -0.060 0.111 0.599 37 S N -0.921 114.730 115.700 -0.082 0.000 2.404 37 S HA -0.011 4.400 4.470 -0.098 0.000 0.223 37 S C -0.097 174.422 174.600 -0.134 0.000 1.040 37 S CA 1.147 59.292 58.200 -0.092 0.000 0.957 37 S CB 0.446 63.616 63.200 -0.051 0.000 0.826 37 S HN 0.271 8.549 8.310 -0.052 0.000 0.491 38 S N -1.407 114.230 115.700 -0.104 0.000 2.578 38 S HA 0.164 4.482 4.470 -0.253 0.000 0.285 38 S C -2.200 172.433 174.600 0.055 0.000 1.126 38 S CA -0.775 57.374 58.200 -0.086 0.000 0.878 38 S CB 1.448 64.633 63.200 -0.024 0.000 1.091 38 S HN -0.562 7.713 8.310 -0.059 0.000 0.450 39 S N 1.231 117.085 115.700 0.257 0.000 2.550 39 S HA -0.244 4.384 4.470 0.262 0.000 0.285 39 S C -0.781 173.896 174.600 0.128 0.000 1.326 39 S CA 1.752 60.117 58.200 0.275 0.000 1.037 39 S CB 0.369 63.742 63.200 0.289 0.000 0.838 39 S HN 0.254 8.821 8.310 0.429 0.000 0.519 40 R N 1.853 122.406 120.500 0.088 0.000 2.762 40 R HA 0.188 4.559 4.340 0.050 0.000 0.271 40 R C -1.757 174.567 176.300 0.039 0.000 1.038 40 R CA -1.513 54.619 56.100 0.053 0.000 0.906 40 R CB 2.808 33.133 30.300 0.042 0.000 1.259 40 R HN 0.410 8.735 8.270 0.093 0.000 0.457 41 R N -0.054 120.463 120.500 0.028 0.000 2.817 41 R HA -0.002 4.349 4.340 0.018 0.000 0.264 41 R C -0.875 175.438 176.300 0.022 0.000 1.009 41 R CA 0.599 56.711 56.100 0.021 0.000 1.133 41 R CB 0.046 30.356 30.300 0.016 0.000 1.013 41 R HN 0.141 8.427 8.270 0.026 0.000 0.453 42 S N -0.569 115.142 115.700 0.018 0.000 2.930 42 S HA 0.034 4.515 4.470 0.018 0.000 0.306 42 S C -1.407 173.201 174.600 0.014 0.000 1.238 42 S CA -0.905 57.306 58.200 0.018 0.000 1.000 42 S CB 0.991 64.204 63.200 0.022 0.000 1.342 42 S HN 0.153 8.472 8.310 0.015 0.000 0.575 43 T N 1.132 115.694 114.554 0.014 0.000 2.794 43 T HA 0.104 4.460 4.350 0.010 0.000 0.296 43 T C -0.040 174.665 174.700 0.009 0.000 0.949 43 T CA 0.632 62.739 62.100 0.011 0.000 1.101 43 T CB -0.133 68.743 68.868 0.012 0.000 0.905 43 T HN 0.054 8.304 8.240 0.016 0.000 0.516 44 G N 5.392 114.196 108.800 0.007 0.000 2.677 44 G HA2 -0.159 3.803 3.960 0.004 0.000 0.321 44 G HA3 -0.159 3.803 3.960 0.004 0.000 0.321 44 G C -1.041 173.861 174.900 0.003 0.000 1.449 44 G CA -0.350 44.753 45.100 0.004 0.000 1.064 44 G HN -0.170 8.124 8.290 0.007 0.000 0.627 45 E N 0.205 120.406 120.200 0.002 0.000 2.511 45 E HA -0.109 4.242 4.350 0.002 0.000 0.196 45 E C 0.234 176.834 176.600 0.000 0.000 1.066 45 E CA 0.576 56.977 56.400 0.001 0.000 0.871 45 E CB 0.253 29.954 29.700 0.001 0.000 0.863 45 E HN 0.224 8.585 8.360 0.002 0.000 0.520 46 E N 0.790 120.990 120.200 -0.001 0.000 2.280 46 E HA 0.092 4.441 4.350 -0.003 0.000 0.279 46 E C -1.478 175.120 176.600 -0.004 0.000 1.325 46 E CA -0.444 55.954 56.400 -0.003 0.000 1.486 46 E CB -0.579 29.119 29.700 -0.004 0.000 1.466 46 E HN -0.143 8.126 8.360 -0.000 0.090 0.473 47 V N -0.293 119.619 119.914 -0.002 0.000 3.076 47 V HA 0.169 4.286 4.120 -0.005 0.000 0.374 47 V C -0.859 175.234 176.094 -0.001 0.000 1.303 47 V CA -0.324 61.974 62.300 -0.003 0.000 1.602 47 V CB 0.791 32.614 31.823 -0.000 0.000 1.167 47 V HN -0.514 7.617 8.190 -0.001 0.058 0.596 48 L N -1.022 120.200 121.223 -0.002 0.000 3.291 48 L HA 0.471 4.811 4.340 -0.000 0.000 0.307 48 L C -0.963 175.906 176.870 -0.002 0.000 1.303 48 L CA -0.456 54.383 54.840 -0.001 0.000 0.949 48 L CB 0.039 42.098 42.059 -0.001 0.000 1.375 48 L HN -0.210 8.018 8.230 -0.003 0.000 0.596 49 R N -0.101 120.397 120.500 -0.004 0.000 2.564 49 R HA 0.184 4.522 4.340 -0.003 0.000 0.284 49 R C -0.824 175.473 176.300 -0.005 0.000 1.031 49 R CA -0.065 56.033 56.100 -0.005 0.000 0.904 49 R CB 2.273 32.569 30.300 -0.006 0.000 1.199 49 R HN -0.497 7.712 8.270 -0.004 0.058 0.443 50 M N 3.988 123.585 119.600 -0.004 0.000 2.098 50 M HA 0.084 4.562 4.480 -0.003 0.000 0.262 50 M C -0.960 175.336 176.300 -0.006 0.000 1.072 50 M CA 4.377 59.675 55.300 -0.004 0.000 1.133 50 M CB -0.842 31.757 32.600 -0.001 0.000 1.344 50 M HN 0.490 8.778 8.290 -0.003 0.000 0.414 51 P HA 0.031 4.537 4.420 -0.009 -0.091 0.229 51 P C -0.744 176.548 177.300 -0.013 0.000 1.160 51 P CA 0.263 63.358 63.100 -0.009 0.000 0.777 51 P CB 0.128 31.824 31.700 -0.007 0.000 0.814 52 G N -1.425 107.368 108.800 -0.013 0.000 3.429 52 G HA2 -0.318 3.688 3.960 -0.015 0.000 0.605 52 G HA3 -0.318 3.671 3.960 -0.021 -0.041 0.605 52 G C -0.613 174.278 174.900 -0.014 0.000 0.973 52 G CA -0.486 44.604 45.100 -0.016 0.000 0.774 52 G HN -0.412 7.831 8.290 -0.010 0.041 0.422 53 D N 1.446 121.839 120.400 -0.012 0.000 2.088 53 D HA -0.268 4.367 4.640 -0.009 0.000 0.191 53 D C 0.972 177.266 176.300 -0.012 0.000 0.992 53 D CA 1.984 55.978 54.000 -0.010 0.000 0.831 53 D CB 0.301 41.096 40.800 -0.008 0.000 0.973 53 D HN 0.055 8.418 8.370 -0.011 0.000 0.447 54 E N -0.466 119.726 120.200 -0.013 0.000 2.028 54 E HA -0.032 4.311 4.350 -0.012 0.000 0.275 54 E C -1.606 174.983 176.600 -0.019 0.000 1.171 54 E CA 0.145 56.536 56.400 -0.014 0.000 1.186 54 E CB -2.143 27.550 29.700 -0.012 0.000 1.256 54 E HN 0.066 8.418 8.360 -0.013 0.000 0.474 55 N N -0.962 117.726 118.700 -0.020 0.000 3.521 55 N HA -0.001 4.723 4.740 -0.027 0.000 0.228 55 N C -1.723 173.773 175.510 -0.023 0.000 1.328 55 N CA 0.082 53.117 53.050 -0.026 0.000 0.907 55 N CB 1.975 40.441 38.487 -0.035 0.000 1.487 55 N HN -0.621 7.705 8.380 -0.017 0.044 0.503 56 Q N 0.646 120.431 119.800 -0.025 0.000 2.478 56 Q HA -0.178 4.152 4.340 -0.016 0.000 0.323 56 Q C -0.511 175.478 176.000 -0.018 0.000 1.087 56 Q CA 1.368 57.159 55.803 -0.020 0.000 1.056 56 Q CB 0.729 29.454 28.738 -0.022 0.000 1.018 56 Q HN 0.317 8.570 8.270 -0.029 0.000 0.387 57 Q N 4.871 124.663 119.800 -0.013 0.000 2.371 57 Q HA -0.324 4.009 4.340 -0.012 0.000 0.254 57 Q C -1.057 174.937 176.000 -0.010 0.000 1.264 57 Q CA 1.066 56.863 55.803 -0.011 0.000 0.904 57 Q CB -0.894 27.839 28.738 -0.008 0.000 1.507 57 Q HN 0.309 8.572 8.270 -0.012 0.000 0.495 58 Q N 3.523 123.317 119.800 -0.011 0.000 2.766 58 Q HA 0.003 4.339 4.340 -0.006 0.000 0.240 58 Q C -2.064 173.929 176.000 -0.011 0.000 0.993 58 Q CA -0.104 55.693 55.803 -0.009 0.000 1.006 58 Q CB 2.927 31.660 28.738 -0.009 0.000 1.804 58 Q HN -0.417 7.845 8.270 -0.014 0.000 0.464 59 E N 3.235 123.431 120.200 -0.006 0.000 2.672 59 E HA -0.213 4.133 4.350 -0.006 0.000 0.234 59 E C -0.391 176.204 176.600 -0.007 0.000 1.162 59 E CA 0.979 57.376 56.400 -0.005 0.000 0.952 59 E CB -1.411 28.289 29.700 0.001 0.000 0.987 59 E HN 0.270 8.627 8.360 -0.004 0.000 0.507 60 S N 0.728 116.418 115.700 -0.017 0.000 2.640 60 S HA 0.227 4.686 4.470 -0.019 0.000 0.163 60 S C 0.395 174.965 174.600 -0.051 0.000 0.936 60 S CA -0.279 57.902 58.200 -0.032 0.000 1.081 60 S CB 0.758 63.932 63.200 -0.043 0.000 1.720 60 S HN -0.223 8.076 8.310 -0.018 0.000 0.488 61 Q N 1.280 121.061 119.800 -0.033 0.000 2.439 61 Q HA -0.345 4.137 4.340 -0.039 -0.165 0.211 61 Q C 0.928 176.893 176.000 -0.059 0.000 0.978 61 Q CA 2.365 58.147 55.803 -0.035 0.000 0.897 61 Q CB -0.593 28.137 28.738 -0.014 0.000 0.956 61 Q HN 0.502 8.762 8.270 -0.017 0.000 0.483 62 Q N -0.710 119.041 119.800 -0.081 0.000 1.946 62 Q HA -0.228 4.073 4.340 -0.064 0.000 0.199 62 Q C 1.864 177.646 176.000 -0.365 0.000 0.979 62 Q CA 2.310 58.019 55.803 -0.156 0.000 0.834 62 Q CB -0.851 27.833 28.738 -0.091 0.000 0.899 62 Q HN 0.196 8.372 8.270 -0.056 0.061 0.431 63 L N -1.088 119.875 121.223 -0.434 0.000 2.265 63 L HA -0.237 3.779 4.340 -0.541 0.000 0.215 63 L C 1.748 178.496 176.870 -0.203 0.000 1.117 63 L CA 1.861 56.465 54.840 -0.392 0.000 0.782 63 L CB -0.823 41.068 42.059 -0.281 0.000 0.914 63 L HN -0.018 8.003 8.230 -0.348 0.000 0.441 64 Q N -0.097 119.618 119.800 -0.141 0.000 2.197 64 Q HA -0.500 3.955 4.340 -0.073 -0.158 0.207 64 Q C 1.930 177.886 176.000 -0.074 0.000 0.984 64 Q CA 3.453 59.205 55.803 -0.085 0.000 0.869 64 Q CB -0.486 28.216 28.738 -0.059 0.000 0.906 64 Q HN 0.062 8.141 8.270 -0.143 0.105 0.426 65 Q N -1.168 118.580 119.800 -0.087 0.000 2.170 65 Q HA -0.312 4.007 4.340 -0.035 0.000 0.203 65 Q C 2.135 178.104 176.000 -0.051 0.000 0.976 65 Q CA 3.572 59.342 55.803 -0.055 0.000 0.858 65 Q CB -0.166 28.547 28.738 -0.041 0.000 0.907 65 Q HN -0.153 7.930 8.270 -0.116 0.117 0.433 66 c N 0.712 119.262 118.600 -0.083 0.000 2.476 66 c HA -0.201 4.352 4.570 -0.029 0.000 0.278 66 c C 1.784 175.849 174.090 -0.042 0.000 1.274 66 c CA 2.536 58.831 56.329 -0.057 0.000 1.713 66 c CB -2.119 40.341 42.510 -0.083 0.000 2.039 66 c HN -0.231 7.800 8.230 -0.138 0.116 0.484 67 c N 2.333 120.902 118.600 -0.052 0.000 2.413 67 c HA -0.395 4.158 4.570 -0.029 0.000 0.277 67 c C 2.013 176.088 174.090 -0.024 0.000 1.228 67 c CA 4.318 60.626 56.329 -0.035 0.000 1.731 67 c CB -2.065 40.422 42.510 -0.039 0.000 2.042 67 c HN 0.356 8.541 8.230 -0.075 0.000 0.468 68 N N -1.525 117.160 118.700 -0.025 0.000 2.272 68 N HA -0.312 4.419 4.740 -0.014 0.000 0.185 68 N C 1.803 177.307 175.510 -0.010 0.000 1.014 68 N CA 2.710 55.750 53.050 -0.016 0.000 0.870 68 N CB -0.239 38.238 38.487 -0.017 0.000 0.975 68 N HN 0.190 8.443 8.380 -0.034 0.106 0.433 69 Q N -1.985 117.810 119.800 -0.009 0.000 2.062 69 Q HA -0.174 4.168 4.340 0.004 0.000 0.196 69 Q C 2.322 178.324 176.000 0.003 0.000 0.967 69 Q CA 2.699 58.502 55.803 0.001 0.000 0.832 69 Q CB 0.525 29.267 28.738 0.007 0.000 0.899 69 Q HN -0.497 7.623 8.270 -0.017 0.140 0.442 70 V N -0.329 119.585 119.914 -0.000 0.000 3.141 70 V HA -0.269 3.855 4.120 0.007 0.000 0.265 70 V C 2.238 178.331 176.094 -0.002 0.000 1.126 70 V CA 2.515 64.816 62.300 0.002 0.000 1.141 70 V CB -1.274 30.549 31.823 -0.001 0.000 0.743 70 V HN 0.785 8.856 8.190 -0.006 0.115 0.492 71 K N -0.692 119.705 120.400 -0.005 0.000 2.432 71 K HA -0.181 4.135 4.320 -0.005 0.000 0.196 71 K C 0.866 177.464 176.600 -0.004 0.000 1.038 71 K CA 1.291 57.575 56.287 -0.005 0.000 0.986 71 K CB -0.433 32.062 32.500 -0.008 0.000 0.782 71 K HN -0.277 7.804 8.250 -0.006 0.165 0.485 72 Q N -2.542 117.257 119.800 -0.002 0.000 2.280 72 Q HA 0.020 4.358 4.340 -0.004 0.000 0.201 72 Q C -0.353 175.645 176.000 -0.003 0.000 0.890 72 Q CA -0.422 55.380 55.803 -0.002 0.000 0.947 72 Q CB 0.920 29.657 28.738 -0.001 0.000 1.081 72 Q HN -0.544 7.560 8.270 -0.001 0.165 0.502 73 V N -0.235 119.678 119.914 -0.002 0.000 2.843 73 V HA -0.281 3.995 4.120 -0.003 -0.158 0.305 73 V C 0.550 176.641 176.094 -0.005 0.000 1.065 73 V CA 0.832 63.131 62.300 -0.002 0.000 1.116 73 V CB 0.312 32.136 31.823 0.002 0.000 0.968 73 V HN -0.766 7.234 8.190 -0.001 0.190 0.487 74 R N 6.153 126.649 120.500 -0.007 0.000 2.056 74 R HA -0.180 4.156 4.340 -0.008 0.000 0.227 74 R C 0.437 176.733 176.300 -0.006 0.000 1.149 74 R CA 1.704 57.799 56.100 -0.008 0.000 0.937 74 R CB 0.398 30.692 30.300 -0.011 0.000 0.835 74 R HN 0.205 8.628 8.270 -0.008 -0.157 0.430 75 D N -8.348 112.049 120.400 -0.005 0.000 3.320 75 D HA -0.109 4.530 4.640 -0.002 0.000 0.607 75 D C -0.096 176.202 176.300 -0.002 0.000 0.353 75 D CA 2.232 56.231 54.000 -0.003 0.000 1.055 75 D CB -0.519 40.279 40.800 -0.003 0.000 1.333 75 D HN 0.260 8.627 8.370 -0.005 0.000 0.266 76 E N -0.510 119.687 120.200 -0.004 0.000 2.472 76 E HA 0.029 4.378 4.350 -0.001 0.000 0.196 76 E C 0.241 176.839 176.600 -0.005 0.000 1.033 76 E CA 1.664 58.061 56.400 -0.004 0.000 0.886 76 E CB -0.216 29.480 29.700 -0.005 0.000 0.944 76 E HN 0.315 8.671 8.360 -0.006 0.000 0.492 77 c N -1.670 116.926 118.600 -0.007 0.000 3.038 77 c HA 0.252 4.816 4.570 -0.010 0.000 0.279 77 c C 1.072 175.162 174.090 0.001 0.000 1.276 77 c CA -0.716 55.607 56.329 -0.010 0.000 1.697 77 c CB -1.720 40.777 42.510 -0.023 0.000 2.032 77 c HN 0.204 8.374 8.230 -0.007 0.055 0.636 78 Q N 2.138 121.941 119.800 0.005 0.000 2.050 78 Q HA -0.332 4.016 4.340 0.014 0.000 0.202 78 Q C 1.288 177.300 176.000 0.019 0.000 0.980 78 Q CA 3.557 59.367 55.803 0.012 0.000 0.840 78 Q CB -0.972 27.771 28.738 0.007 0.000 0.898 78 Q HN -0.213 8.011 8.270 0.002 0.047 0.424 79 c N -0.142 118.468 118.600 0.017 0.000 2.518 79 c HA -0.248 4.420 4.570 0.022 -0.085 0.279 79 c C 1.856 175.965 174.090 0.031 0.000 1.279 79 c CA 3.926 60.268 56.329 0.021 0.000 1.703 79 c CB -1.650 40.869 42.510 0.015 0.000 2.072 79 c HN 0.274 8.511 8.230 0.011 0.000 0.487 80 E N -0.344 119.872 120.200 0.027 0.000 2.219 80 E HA -0.420 3.957 4.350 0.044 0.000 0.198 80 E C 1.444 178.086 176.600 0.070 0.000 0.998 80 E CA 2.882 59.305 56.400 0.038 0.000 0.818 80 E CB -0.382 29.327 29.700 0.016 0.000 0.741 80 E HN 0.190 8.561 8.360 0.017 0.000 0.477 81 A N -1.076 121.781 122.820 0.060 0.000 1.908 81 A HA -0.298 4.096 4.320 0.122 0.000 0.218 81 A C 1.690 179.360 177.584 0.143 0.000 1.181 81 A CA 3.288 55.387 52.037 0.102 0.000 0.627 81 A CB -0.630 18.408 19.000 0.063 0.000 0.818 81 A HN 0.135 8.103 8.150 0.036 0.203 0.445 82 I N -2.104 118.517 120.570 0.086 0.000 2.353 82 I HA -0.317 3.891 4.170 0.064 0.000 0.248 82 I C 2.146 178.302 176.117 0.066 0.000 1.119 82 I CA 1.624 62.963 61.300 0.065 0.000 1.417 82 I CB -0.899 37.124 38.000 0.039 0.000 1.078 82 I HN -0.328 7.832 8.210 0.063 0.088 0.421 83 K N -2.329 118.117 120.400 0.078 0.000 2.515 83 K HA -0.179 4.167 4.320 0.043 0.000 0.196 83 K C 0.558 177.229 176.600 0.118 0.000 1.038 83 K CA 1.609 57.940 56.287 0.073 0.000 0.967 83 K CB -0.892 31.646 32.500 0.064 0.000 0.780 83 K HN -0.361 7.851 8.250 0.075 0.083 0.483 84 Y N -0.992 119.309 120.300 0.002 0.000 2.333 84 Y HA -0.068 4.484 4.550 0.003 0.000 0.287 84 Y C 0.737 176.640 175.900 0.004 0.000 1.149 84 Y CA 2.085 60.187 58.100 0.003 0.000 1.193 84 Y CB 1.570 40.033 38.460 0.004 0.000 1.175 84 Y HN -0.688 7.522 8.280 0.225 0.205 0.518 85 I N 0.293 120.804 120.570 -0.097 0.000 2.127 85 I HA -0.332 3.598 4.170 -0.400 0.000 0.241 85 I C 1.695 177.728 176.117 -0.141 0.000 1.075 85 I CA 1.335 62.527 61.300 -0.181 0.000 1.334 85 I CB -0.562 37.442 38.000 0.007 0.000 1.040 85 I HN 0.161 8.487 8.210 0.193 0.000 0.405 86 A N -2.568 120.216 122.820 -0.060 0.000 2.810 86 A HA -0.064 4.225 4.320 -0.052 0.000 0.247 86 A C -1.036 176.509 177.584 -0.064 0.000 1.576 86 A CA 1.010 53.018 52.037 -0.047 0.000 1.294 86 A CB -1.948 17.043 19.000 -0.014 0.000 0.976 86 A HN -0.347 7.794 8.150 -0.015 0.000 0.631 87 E N -1.545 118.590 120.200 -0.108 0.000 2.094 87 E HA -0.114 4.184 4.350 -0.087 0.000 0.254 87 E C -0.350 176.164 176.600 -0.142 0.000 1.086 87 E CA 1.380 57.717 56.400 -0.104 0.000 1.741 87 E CB 1.232 30.891 29.700 -0.068 0.000 3.572 87 E HN -0.053 8.107 8.360 -0.147 0.112 0.995 88 D N 1.079 121.331 120.400 -0.246 0.000 2.104 88 D HA -0.323 4.209 4.640 -0.180 0.000 0.194 88 D C 1.915 178.117 176.300 -0.162 0.000 0.994 88 D CA 3.931 57.775 54.000 -0.260 0.000 0.830 88 D CB 0.348 40.831 40.800 -0.529 0.000 0.959 88 D HN 0.342 8.401 8.370 -0.338 0.108 0.452 89 Q N -2.049 117.655 119.800 -0.160 0.000 2.291 89 Q HA -0.220 4.074 4.340 -0.078 0.000 0.206 89 Q C 2.720 178.674 176.000 -0.076 0.000 0.976 89 Q CA 2.562 58.307 55.803 -0.096 0.000 0.875 89 Q CB -0.522 28.165 28.738 -0.084 0.000 0.927 89 Q HN -0.418 7.728 8.270 -0.207 0.000 0.450 90 I N 1.042 121.554 120.570 -0.097 0.000 2.233 90 I HA -0.525 3.569 4.170 -0.127 0.000 0.243 90 I C 1.656 177.705 176.117 -0.113 0.000 1.093 90 I CA 3.243 64.468 61.300 -0.125 0.000 1.380 90 I CB -0.384 37.532 38.000 -0.141 0.000 1.067 90 I HN -0.461 7.517 8.210 -0.110 0.165 0.413 91 Q N -1.915 117.853 119.800 -0.053 0.000 2.123 91 Q HA -0.335 4.078 4.340 0.121 0.000 0.199 91 Q C 3.156 179.211 176.000 0.091 0.000 0.966 91 Q CA 3.264 59.097 55.803 0.050 0.000 0.845 91 Q CB 0.035 28.791 28.738 0.029 0.000 0.907 91 Q HN 0.001 8.228 8.270 -0.071 0.000 0.439 92 Q N -0.903 118.911 119.800 0.024 0.000 2.020 92 Q HA -0.153 4.204 4.340 0.029 0.000 0.198 92 Q C 1.355 177.377 176.000 0.037 0.000 0.974 92 Q CA 1.413 57.229 55.803 0.021 0.000 0.829 92 Q CB 0.338 29.068 28.738 -0.014 0.000 0.894 92 Q HN 0.217 8.369 8.270 -0.019 0.106 0.433 93 G N -2.177 106.634 108.800 0.020 0.000 2.712 93 G HA2 -0.045 3.926 3.960 0.019 0.000 0.258 93 G HA3 -0.045 3.985 3.960 0.000 -0.070 0.258 93 G C -0.482 174.467 174.900 0.081 0.000 1.241 93 G CA -0.801 44.313 45.100 0.025 0.000 0.923 93 G HN -0.331 7.828 8.290 -0.007 0.126 0.548 94 Q N 0.294 120.137 119.800 0.072 0.000 2.639 94 Q HA -0.059 4.411 4.340 0.216 0.000 0.301 94 Q C -0.876 175.208 176.000 0.141 0.000 1.029 94 Q CA -0.122 55.764 55.803 0.137 0.000 0.936 94 Q CB -1.124 27.656 28.738 0.069 0.000 1.354 94 Q HN 0.355 8.646 8.270 0.035 0.000 0.417 95 L N 0.581 121.822 121.223 0.029 0.000 2.352 95 L HA 0.059 4.354 4.340 -0.076 0.000 0.272 95 L C -1.144 175.422 176.870 -0.506 0.000 1.109 95 L CA -0.479 54.255 54.840 -0.176 0.000 0.952 95 L CB -2.079 39.860 42.059 -0.200 0.000 1.314 95 L HN -0.466 7.715 8.230 0.037 0.071 0.427 96 H N 0.549 119.611 119.070 -0.013 0.000 2.984 96 H HA 0.048 4.598 4.556 -0.010 0.000 0.277 96 H C 0.476 175.799 175.328 -0.009 0.000 1.502 96 H CA -0.396 55.646 56.048 -0.011 0.000 1.195 96 H CB 3.768 33.524 29.762 -0.010 0.000 1.866 96 H HN -0.622 7.685 8.280 0.045 0.000 0.594 97 G N 0.347 109.224 108.800 0.129 0.000 5.359 97 G HA2 -0.371 3.624 3.960 0.057 0.000 0.333 97 G HA3 -0.371 3.623 3.960 0.056 0.000 0.333 97 G C -0.370 174.549 174.900 0.031 0.000 1.365 97 G CA 1.695 46.833 45.100 0.063 0.000 1.008 97 G HN 0.292 8.690 8.290 0.180 0.000 0.816 98 E N 2.121 122.331 120.200 0.017 0.000 3.279 98 E HA 0.102 4.449 4.350 -0.004 0.000 0.132 98 E C -1.064 175.531 176.600 -0.008 0.000 0.907 98 E CA 0.150 56.551 56.400 0.001 0.000 1.491 98 E CB 0.644 30.346 29.700 0.003 0.000 1.021 98 E HN -0.054 8.295 8.360 0.022 0.024 0.390 99 E N -1.824 118.368 120.200 -0.014 0.000 2.603 99 E HA 0.270 4.609 4.350 -0.019 0.000 0.211 99 E C 0.495 177.068 176.600 -0.046 0.000 0.995 99 E CA -0.122 56.265 56.400 -0.022 0.000 0.990 99 E CB 0.460 30.154 29.700 -0.011 0.000 1.036 99 E HN -0.062 8.292 8.360 -0.011 0.000 0.475 100 S N -0.262 115.399 115.700 -0.065 0.000 2.458 100 S HA -0.174 4.233 4.470 -0.104 0.000 0.223 100 S C 1.852 176.416 174.600 -0.061 0.000 1.019 100 S CA 1.888 60.032 58.200 -0.092 0.000 0.937 100 S CB -0.194 62.925 63.200 -0.136 0.000 0.788 100 S HN -0.043 8.176 8.310 -0.055 0.058 0.511 101 E N 1.484 121.659 120.200 -0.043 0.000 2.208 101 E HA -0.214 4.117 4.350 -0.031 0.000 0.193 101 E C 1.529 178.115 176.600 -0.024 0.000 0.988 101 E CA 2.932 59.314 56.400 -0.030 0.000 0.828 101 E CB -0.304 29.383 29.700 -0.021 0.000 0.763 101 E HN 0.213 8.550 8.360 -0.039 0.000 0.478 102 R N -3.112 117.373 120.500 -0.025 0.000 2.189 102 R HA -0.197 4.133 4.340 -0.016 0.000 0.223 102 R C 1.779 178.066 176.300 -0.022 0.000 1.092 102 R CA 2.621 58.709 56.100 -0.021 0.000 0.989 102 R CB -0.913 29.375 30.300 -0.020 0.000 0.876 102 R HN 0.111 8.342 8.270 -0.028 0.022 0.457 103 V N 0.069 119.964 119.914 -0.031 0.000 2.719 103 V HA -0.256 3.849 4.120 -0.026 0.000 0.252 103 V C 1.168 177.249 176.094 -0.022 0.000 1.065 103 V CA 2.360 64.641 62.300 -0.031 0.000 1.086 103 V CB -0.506 31.290 31.823 -0.046 0.000 0.700 103 V HN -0.423 7.599 8.190 -0.038 0.145 0.467 104 A N 0.039 122.845 122.820 -0.023 0.000 1.877 104 A HA -0.285 4.026 4.320 -0.015 0.000 0.216 104 A C 1.764 179.344 177.584 -0.006 0.000 1.186 104 A CA 3.224 55.252 52.037 -0.015 0.000 0.620 104 A CB -0.496 18.494 19.000 -0.016 0.000 0.822 104 A HN -0.658 7.344 8.150 -0.028 0.132 0.443 105 Q N -3.283 116.514 119.800 -0.006 0.000 2.172 105 Q HA -0.358 3.983 4.340 0.002 0.000 0.200 105 Q C 2.157 178.161 176.000 0.006 0.000 0.964 105 Q CA 2.274 58.077 55.803 0.000 0.000 0.855 105 Q CB -0.333 28.404 28.738 -0.001 0.000 0.918 105 Q HN -0.432 7.832 8.270 -0.010 0.000 0.444 106 R N 1.279 121.781 120.500 0.003 0.000 2.070 106 R HA -0.284 4.257 4.340 0.014 -0.193 0.232 106 R C 2.786 179.101 176.300 0.026 0.000 1.138 106 R CA 3.098 59.204 56.100 0.010 0.000 0.936 106 R CB -0.205 30.094 30.300 -0.003 0.000 0.839 106 R HN -0.617 7.548 8.270 -0.005 0.102 0.429 107 A N -2.175 120.656 122.820 0.019 0.000 1.948 107 A HA -0.235 4.112 4.320 0.045 0.000 0.220 107 A C 1.650 179.252 177.584 0.030 0.000 1.177 107 A CA 2.970 55.024 52.037 0.029 0.000 0.636 107 A CB -0.747 18.262 19.000 0.015 0.000 0.815 107 A HN 0.163 8.317 8.150 0.007 0.000 0.449 108 G N -2.653 106.160 108.800 0.021 0.000 2.507 108 G HA2 -0.443 3.526 3.960 0.016 0.000 0.221 108 G HA3 -0.443 3.582 3.960 0.014 -0.057 0.221 108 G C 1.078 175.993 174.900 0.024 0.000 1.119 108 G CA 2.028 47.139 45.100 0.018 0.000 0.751 108 G HN -0.304 7.930 8.290 0.014 0.064 0.574 109 E N 1.818 122.039 120.200 0.035 0.000 2.023 109 E HA -0.362 4.009 4.350 0.035 0.000 0.196 109 E C 2.666 179.293 176.600 0.045 0.000 1.003 109 E CA 2.930 59.358 56.400 0.046 0.000 0.809 109 E CB -0.263 29.479 29.700 0.069 0.000 0.755 109 E HN -0.160 8.078 8.360 0.035 0.143 0.449 110 I N -1.476 119.129 120.570 0.058 0.000 2.546 110 I HA -0.241 3.931 4.170 0.002 0.000 0.255 110 I C 1.751 177.873 176.117 0.007 0.000 1.163 110 I CA 0.807 62.123 61.300 0.027 0.000 1.457 110 I CB -1.546 36.482 38.000 0.048 0.000 1.092 110 I HN -0.628 7.629 8.210 0.077 0.000 0.434 111 V N 1.831 121.755 119.914 0.017 0.000 2.233 111 V HA -0.554 3.635 4.120 0.008 -0.065 0.247 111 V C 2.721 178.817 176.094 0.004 0.000 1.050 111 V CA 4.566 66.872 62.300 0.010 0.000 1.010 111 V CB -1.035 30.796 31.823 0.013 0.000 0.637 111 V HN 0.255 8.358 8.190 0.027 0.103 0.444 112 S N -2.192 113.512 115.700 0.007 0.000 2.440 112 S HA -0.313 4.158 4.470 0.002 0.000 0.240 112 S C 1.381 175.979 174.600 -0.003 0.000 1.014 112 S CA 2.606 60.807 58.200 0.003 0.000 0.980 112 S CB -0.347 62.857 63.200 0.007 0.000 0.775 112 S HN 0.258 8.469 8.310 0.011 0.105 0.499 113 S N 0.413 116.108 115.700 -0.009 0.000 2.331 113 S HA -0.095 4.363 4.470 -0.019 0.000 0.208 113 S C 0.393 174.979 174.600 -0.023 0.000 1.032 113 S CA 2.319 60.505 58.200 -0.022 0.000 0.991 113 S CB 1.353 64.527 63.200 -0.042 0.000 0.980 113 S HN -0.733 7.424 8.310 -0.004 0.150 0.433 114 c N -1.835 116.750 118.600 -0.026 0.000 3.607 114 c HA 0.254 4.814 4.570 -0.016 0.000 0.304 114 c C -1.138 172.943 174.090 -0.016 0.000 2.634 114 c CA -0.386 55.929 56.329 -0.023 0.000 1.594 114 c CB 0.340 42.831 42.510 -0.032 0.000 3.304 114 c HN -0.058 8.155 8.230 -0.029 0.000 0.392 115 G N 0.099 108.894 108.800 -0.008 0.000 3.969 115 G HA2 0.340 4.302 3.960 0.002 0.000 0.291 115 G HA3 0.340 4.303 3.960 0.004 0.000 0.291 115 G C -1.323 173.581 174.900 0.006 0.000 1.016 115 G CA -0.549 44.552 45.100 0.001 0.000 0.819 115 G HN 0.185 8.365 8.290 -0.008 0.106 0.493 116 V N 1.427 121.343 119.914 0.003 0.000 2.393 116 V HA -0.263 3.861 4.120 0.006 0.000 0.257 116 V C -0.454 175.644 176.094 0.006 0.000 1.040 116 V CA 1.406 63.708 62.300 0.005 0.000 1.097 116 V CB -1.394 30.430 31.823 0.002 0.000 1.101 116 V HN -0.349 7.779 8.190 -0.001 0.061 0.479 117 R N 3.732 124.238 120.500 0.010 0.000 3.757 117 R HA 0.237 4.582 4.340 0.009 0.000 0.109 117 R C -0.529 175.778 176.300 0.012 0.000 1.342 117 R CA 0.193 56.300 56.100 0.012 0.000 1.027 117 R CB 1.001 31.311 30.300 0.016 0.000 1.038 117 R HN -0.435 7.841 8.270 0.011 0.000 0.403 118 c N -0.646 117.963 118.600 0.016 0.000 2.791 118 c HA 0.262 4.986 4.570 0.012 -0.146 0.270 118 c C 0.006 174.103 174.090 0.012 0.000 1.257 118 c CA 0.521 56.859 56.329 0.015 0.000 1.699 118 c CB -0.945 41.577 42.510 0.019 0.000 1.904 118 c HN 0.383 8.625 8.230 0.020 0.000 0.603 119 M N -2.135 117.472 119.600 0.012 0.000 2.428 119 M HA -0.007 4.478 4.480 0.009 0.000 0.239 119 M C -0.142 176.163 176.300 0.008 0.000 1.121 119 M CA 1.019 56.325 55.300 0.010 0.000 1.019 119 M CB 0.257 32.864 32.600 0.012 0.000 1.485 119 M HN -0.084 8.151 8.290 0.014 0.063 0.484 120 R N -4.132 116.372 120.500 0.007 0.000 3.359 120 R HA 0.035 4.378 4.340 0.005 0.000 0.098 120 R C -0.786 175.517 176.300 0.005 0.000 0.779 120 R CA 0.490 56.593 56.100 0.006 0.000 1.967 120 R CB 0.732 31.035 30.300 0.005 0.000 1.617 120 R HN -0.528 7.681 8.270 0.008 0.065 0.469 121 Q N -1.319 118.485 119.800 0.006 0.000 2.270 121 Q HA 0.149 4.492 4.340 0.004 0.000 0.167 121 Q C -1.268 174.735 176.000 0.006 0.000 1.023 121 Q CA -1.227 54.579 55.803 0.005 0.000 1.070 121 Q CB 2.295 31.035 28.738 0.004 0.000 1.504 121 Q HN -0.376 7.898 8.270 0.006 0.000 0.536 122 T N -3.896 110.661 114.554 0.005 0.000 2.696 122 T HA 0.215 4.569 4.350 0.007 0.000 0.291 122 T C -0.854 173.849 174.700 0.005 0.000 1.095 122 T CA -1.813 60.291 62.100 0.006 0.000 1.026 122 T CB 2.388 71.258 68.868 0.005 0.000 1.390 122 T HN 0.020 8.262 8.240 0.004 0.000 0.513 123 R N 0.683 121.186 120.500 0.005 0.000 2.583 123 R HA -0.126 4.217 4.340 0.005 0.000 0.274 123 R C -0.240 176.062 176.300 0.003 0.000 0.998 123 R CA 1.340 57.442 56.100 0.004 0.000 1.081 123 R CB -0.299 30.004 30.300 0.004 0.000 0.940 123 R HN 0.250 8.523 8.270 0.006 0.000 0.413 124 T N -0.358 114.197 114.554 0.002 0.000 3.340 124 T HA 0.062 4.413 4.350 0.001 0.000 0.272 124 T C 0.438 175.138 174.700 0.000 0.000 0.965 124 T CA -0.885 61.215 62.100 0.001 0.000 1.040 124 T CB 1.527 70.396 68.868 0.001 0.000 1.183 124 T HN 0.118 8.359 8.240 0.002 0.000 0.478 125 N N 0.000 118.700 118.700 -0.000 0.000 1.763 125 N HA 0.000 4.727 4.740 -0.002 0.012 0.220 125 N CA 0.000 53.049 53.050 -0.001 0.000 0.885 125 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 125 N HN 0.000 8.380 8.380 0.000 0.000 0.667