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 2rto_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.403 4.320 0.138 0.000 0.244 13 A C 0.000 177.548 177.584 -0.061 0.000 1.274 13 A CA 0.000 52.084 52.037 0.079 0.000 0.836 13 A CB 0.000 19.032 19.000 0.053 0.000 0.831 14 E N 5.428 125.626 120.200 -0.003 0.000 2.049 14 E HA -0.462 3.552 4.350 -0.561 0.000 0.198 14 E C 1.275 177.739 176.600 -0.226 0.000 1.007 14 E CA 3.411 59.687 56.400 -0.207 0.000 0.809 14 E CB -0.632 29.060 29.700 -0.014 0.000 0.749 14 E HN 0.707 9.144 8.360 0.129 0.000 0.450 15 A N -0.046 122.704 122.820 -0.116 0.000 1.896 15 A HA -0.389 3.873 4.320 -0.097 0.000 0.220 15 A C 2.297 179.811 177.584 -0.116 0.000 1.206 15 A CA 2.902 54.882 52.037 -0.096 0.000 0.647 15 A CB -1.174 17.800 19.000 -0.044 0.000 0.828 15 A HN 0.387 8.501 8.150 -0.061 0.000 0.455 16 G N -3.714 105.011 108.800 -0.124 0.000 2.422 16 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.218 16 G HA3 -0.225 3.723 3.960 -0.020 0.000 0.218 16 G C 1.507 176.297 174.900 -0.183 0.000 1.140 16 G CA 1.365 46.412 45.100 -0.088 0.000 0.775 16 G HN -0.289 7.933 8.290 -0.114 0.000 0.545 17 I N 1.538 121.861 120.570 -0.412 0.000 2.480 17 I HA -0.241 3.866 4.170 -0.105 0.000 0.251 17 I C -0.178 175.887 176.117 -0.088 0.000 1.124 17 I CA 1.919 63.021 61.300 -0.331 0.000 1.444 17 I CB 0.317 37.929 38.000 -0.647 0.000 1.098 17 I HN -0.677 7.142 8.210 -0.450 0.120 0.428 18 T N 2.265 116.705 114.554 -0.189 0.000 2.908 18 T HA -0.332 4.080 4.350 -0.207 -0.187 0.301 18 T C -0.113 174.509 174.700 -0.129 0.000 1.019 18 T CA 3.390 65.390 62.100 -0.166 0.000 1.152 18 T CB -0.102 68.668 68.868 -0.164 0.000 0.966 18 T HN -0.220 7.875 8.240 -0.241 0.000 0.540 19 G N 5.331 114.036 108.800 -0.157 0.000 2.350 19 G HA2 -0.119 3.746 3.960 -0.206 0.000 0.282 19 G HA3 -0.119 3.762 3.960 -0.324 -0.116 0.282 19 G C -2.956 171.796 174.900 -0.247 0.000 1.314 19 G CA 0.289 45.249 45.100 -0.233 0.000 0.915 19 G HN 0.310 8.490 8.290 -0.184 0.000 0.499 20 T N 2.831 117.190 114.554 -0.324 0.000 2.794 20 T HA 0.855 5.285 4.350 -0.148 -0.169 0.280 20 T C -1.166 173.334 174.700 -0.333 0.000 0.987 20 T CA 0.798 62.769 62.100 -0.214 0.000 0.993 20 T CB 1.837 70.628 68.868 -0.129 0.000 0.939 20 T HN 0.262 8.147 8.240 -0.369 0.133 0.449 21 W N 5.157 126.360 121.300 -0.162 0.000 2.950 21 W HA 0.731 5.424 4.660 -0.238 -0.176 0.340 21 W C -1.784 174.798 176.519 0.105 0.000 1.139 21 W CA -1.341 55.946 57.345 -0.097 0.000 1.188 21 W CB 4.015 33.483 29.460 0.014 0.000 1.426 21 W HN 0.826 9.077 8.180 0.117 0.000 0.531 22 Y N -4.663 115.934 120.300 0.494 0.000 2.545 22 Y HA 1.070 6.041 4.550 0.336 -0.220 0.348 22 Y C -1.731 174.367 175.900 0.330 0.000 1.002 22 Y CA -3.164 55.144 58.100 0.347 0.000 1.039 22 Y CB 2.298 40.859 38.460 0.168 0.000 1.271 22 Y HN 0.749 8.797 8.280 -0.387 0.000 0.467 23 N N -0.298 118.608 118.700 0.343 0.000 2.619 23 N HA 0.614 5.509 4.740 -0.010 -0.162 0.294 23 N C 2.037 177.620 175.510 0.122 0.000 1.279 23 N CA -2.892 50.160 53.050 0.004 0.000 0.867 23 N CB 2.332 40.537 38.487 -0.470 0.000 1.329 23 N HN -0.342 8.243 8.380 0.342 0.000 0.557 24 Q N -1.054 118.778 119.800 0.053 0.000 2.364 24 Q HA -0.162 4.237 4.340 0.099 0.000 0.209 24 Q C 0.362 176.398 176.000 0.061 0.000 0.977 24 Q CA 2.398 58.246 55.803 0.075 0.000 0.885 24 Q CB -0.717 28.059 28.738 0.065 0.000 0.941 24 Q HN 0.328 8.585 8.270 -0.022 0.000 0.464 25 L N -4.365 116.894 121.223 0.060 0.000 2.509 25 L HA -0.015 4.353 4.340 0.045 0.000 0.222 25 L C 0.803 177.710 176.870 0.061 0.000 1.123 25 L CA -0.175 54.700 54.840 0.057 0.000 0.856 25 L CB 0.538 42.635 42.059 0.064 0.000 0.985 25 L HN -0.433 8.067 8.230 0.052 -0.239 0.456 26 G N -1.765 107.083 108.800 0.080 0.000 2.148 26 G HA2 -0.188 3.810 3.960 0.064 0.000 0.203 26 G HA3 -0.188 3.799 3.960 0.047 0.000 0.203 26 G C -0.634 174.324 174.900 0.098 0.000 0.993 26 G CA -0.027 45.117 45.100 0.072 0.000 0.661 26 G HN -0.389 7.939 8.290 0.097 0.020 0.518 27 S N 1.550 117.327 115.700 0.128 0.000 2.601 27 S HA 0.367 4.980 4.470 0.089 -0.090 0.271 27 S C -0.880 173.765 174.600 0.074 0.000 1.305 27 S CA 1.001 59.260 58.200 0.099 0.000 1.022 27 S CB 1.592 64.893 63.200 0.168 0.000 0.940 27 S HN -0.593 8.054 8.310 0.138 -0.254 0.525 28 T N 4.159 118.685 114.554 -0.046 0.000 2.823 28 T HA 0.684 5.271 4.350 0.132 -0.158 0.279 28 T C -1.523 173.075 174.700 -0.171 0.000 0.998 28 T CA -0.276 61.822 62.100 -0.003 0.000 0.994 28 T CB 1.657 70.537 68.868 0.020 0.000 0.960 28 T HN 0.686 8.772 8.240 -0.083 0.104 0.448 29 F N 7.868 127.669 119.950 -0.248 0.000 2.518 29 F HA 0.755 5.193 4.527 -0.400 -0.150 0.323 29 F C -3.090 172.620 175.800 -0.151 0.000 1.129 29 F CA -2.617 55.175 58.000 -0.347 0.000 0.920 29 F CB 3.938 42.631 39.000 -0.512 0.000 1.160 29 F HN 0.508 8.897 8.300 0.149 0.000 0.440 30 I N 7.578 127.957 120.570 -0.319 0.000 2.382 30 I HA 0.606 4.743 4.170 -0.286 -0.139 0.286 30 I C -2.350 173.486 176.117 -0.468 0.000 1.002 30 I CA -2.209 58.906 61.300 -0.309 0.000 1.135 30 I CB 0.765 38.675 38.000 -0.150 0.000 1.288 30 I HN 0.924 9.022 8.210 -0.186 0.000 0.448 31 V N 8.160 127.745 119.914 -0.550 0.000 3.007 31 V HA 0.803 4.838 4.120 -0.408 -0.160 0.311 31 V C -2.201 173.694 176.094 -0.332 0.000 1.120 31 V CA -2.878 59.107 62.300 -0.525 0.000 0.980 31 V CB 4.858 36.137 31.823 -0.906 0.000 1.033 31 V HN 0.853 8.768 8.190 -0.459 0.000 0.429 32 T N 8.648 123.046 114.554 -0.260 0.000 2.841 32 T HA 0.259 4.492 4.350 -0.195 0.000 0.285 32 T C -2.226 172.355 174.700 -0.199 0.000 0.991 32 T CA -0.547 61.437 62.100 -0.193 0.000 0.966 32 T CB 1.957 70.745 68.868 -0.133 0.000 0.962 32 T HN 0.395 8.485 8.240 -0.249 0.000 0.438 33 A N 7.815 130.496 122.820 -0.232 0.000 2.260 33 A HA 0.760 5.109 4.320 -0.238 -0.172 0.308 33 A C -0.849 176.693 177.584 -0.070 0.000 1.254 33 A CA -1.838 50.035 52.037 -0.274 0.000 0.874 33 A CB 1.322 19.960 19.000 -0.603 0.000 1.153 33 A HN 0.502 8.515 8.150 -0.228 0.000 0.527 34 G N 1.193 110.031 108.800 0.064 0.000 2.477 34 G HA2 0.230 4.209 3.960 0.031 0.000 0.304 34 G HA3 0.230 4.228 3.960 0.064 0.000 0.304 34 G C -0.150 174.842 174.900 0.154 0.000 1.175 34 G CA -1.469 43.679 45.100 0.079 0.000 0.907 34 G HN 0.609 8.841 8.290 0.106 0.121 0.509 35 A N -0.180 122.692 122.820 0.086 0.000 1.948 35 A HA -0.265 4.112 4.320 0.094 0.000 0.220 35 A C 0.313 177.920 177.584 0.039 0.000 1.177 35 A CA 2.618 54.697 52.037 0.070 0.000 0.636 35 A CB -0.321 18.699 19.000 0.033 0.000 0.815 35 A HN 0.435 8.616 8.150 0.052 0.000 0.449 36 D N -6.865 113.552 120.400 0.029 0.000 2.338 36 D HA -0.114 4.509 4.640 -0.029 0.000 0.239 36 D C 0.321 176.588 176.300 -0.056 0.000 1.095 36 D CA -0.909 53.084 54.000 -0.011 0.000 0.888 36 D CB -1.125 39.676 40.800 0.003 0.000 0.899 36 D HN -0.378 7.997 8.370 0.042 0.020 0.525 37 G N -2.338 106.406 108.800 -0.094 0.000 2.141 37 G HA2 -0.482 2.726 3.960 -1.253 0.000 0.242 37 G HA3 -0.482 3.271 3.960 -0.346 0.000 0.242 37 G C -1.529 173.424 174.900 0.089 0.000 0.982 37 G CA 0.156 45.038 45.100 -0.364 0.000 0.662 37 G HN -0.249 7.968 8.290 0.015 0.082 0.527 38 A N -0.395 122.560 122.820 0.225 0.000 2.295 38 A HA 0.604 5.142 4.320 0.159 -0.124 0.318 38 A C -1.737 175.954 177.584 0.178 0.000 1.134 38 A CA -1.616 50.530 52.037 0.181 0.000 0.827 38 A CB 2.629 21.684 19.000 0.091 0.000 1.136 38 A HN -0.735 7.637 8.150 0.206 -0.099 0.493 39 L N 1.290 122.577 121.223 0.107 0.000 2.385 39 L HA 0.926 5.414 4.340 -0.074 -0.192 0.273 39 L C -0.344 176.518 176.870 -0.014 0.000 0.990 39 L CA -1.398 53.442 54.840 -0.001 0.000 0.821 39 L CB 2.899 44.962 42.059 0.007 0.000 1.279 39 L HN 0.260 8.489 8.230 0.116 0.070 0.412 40 T N -1.353 113.162 114.554 -0.066 0.000 2.900 40 T HA 0.938 5.463 4.350 -0.017 -0.185 0.303 40 T C -0.744 173.897 174.700 -0.099 0.000 1.142 40 T CA -2.058 60.014 62.100 -0.046 0.000 1.007 40 T CB 3.522 72.374 68.868 -0.026 0.000 1.156 40 T HN 0.081 8.253 8.240 -0.112 0.000 0.490 41 G N -0.078 108.680 108.800 -0.070 0.000 2.360 41 G HA2 0.346 4.248 3.960 -0.096 0.000 0.276 41 G HA3 0.346 4.394 3.960 -0.175 -0.193 0.276 41 G C -2.793 172.096 174.900 -0.019 0.000 1.256 41 G CA 1.092 46.135 45.100 -0.096 0.000 0.890 41 G HN -0.325 7.947 8.290 -0.029 0.000 0.486 42 T N -2.316 112.236 114.554 -0.004 0.000 2.903 42 T HA 0.959 5.568 4.350 0.130 -0.181 0.299 42 T C -2.482 172.325 174.700 0.179 0.000 1.093 42 T CA -2.083 60.073 62.100 0.094 0.000 1.002 42 T CB 3.619 72.524 68.868 0.060 0.000 1.127 42 T HN 0.163 8.361 8.240 -0.070 0.000 0.488 43 Y N 2.040 122.434 120.300 0.157 0.000 2.425 43 Y HA 0.678 5.546 4.550 0.227 -0.181 0.344 43 Y C -2.579 173.520 175.900 0.333 0.000 0.969 43 Y CA -1.854 56.384 58.100 0.231 0.000 1.052 43 Y CB 4.766 43.337 38.460 0.186 0.000 1.215 43 Y HN 0.777 9.272 8.280 0.359 0.000 0.451 44 E N 8.119 128.440 120.200 0.202 0.000 2.207 44 E HA 0.544 5.335 4.350 0.423 -0.187 0.250 44 E C -1.769 174.994 176.600 0.271 0.000 0.890 44 E CA -1.608 54.955 56.400 0.272 0.000 0.749 44 E CB 2.995 32.766 29.700 0.119 0.000 1.193 44 E HN 0.872 9.015 8.360 -0.195 0.101 0.423 45 S N 7.446 123.437 115.700 0.485 0.000 2.610 45 S HA 0.104 4.818 4.470 0.407 0.000 0.273 45 S C -0.255 174.455 174.600 0.183 0.000 1.274 45 S CA -1.156 57.270 58.200 0.377 0.000 1.023 45 S CB 1.248 64.582 63.200 0.224 0.000 0.962 45 S HN 0.452 9.135 8.310 0.621 0.000 0.523 46 A N 4.942 127.837 122.820 0.125 0.000 2.115 46 A HA 0.193 4.553 4.320 0.066 0.000 0.211 46 A C -0.193 177.400 177.584 0.016 0.000 1.169 46 A CA 0.480 52.556 52.037 0.066 0.000 0.787 46 A CB 1.051 20.088 19.000 0.063 0.000 0.858 46 A HN 0.060 8.304 8.150 0.156 0.000 0.474 47 V N -3.733 116.168 119.914 -0.022 0.000 3.113 47 V HA 0.393 4.478 4.120 -0.059 0.000 0.316 47 V C -0.182 175.800 176.094 -0.186 0.000 1.125 47 V CA -1.414 60.836 62.300 -0.084 0.000 1.026 47 V CB 2.220 33.995 31.823 -0.079 0.000 1.080 47 V HN -0.686 7.500 8.190 -0.006 0.000 0.444 48 G N 1.238 109.929 108.800 -0.181 0.000 2.698 48 G HA2 -0.382 3.454 3.960 -0.207 0.000 0.225 48 G HA3 -0.382 3.343 3.960 -0.393 0.000 0.225 48 G C -0.825 173.962 174.900 -0.188 0.000 1.345 48 G CA -0.402 44.548 45.100 -0.250 0.000 0.871 48 G HN 0.115 8.330 8.290 -0.126 0.000 0.540 49 N N 2.535 121.112 118.700 -0.205 0.000 3.298 49 N HA -0.008 4.700 4.740 -0.055 0.000 0.292 49 N C -1.803 173.653 175.510 -0.090 0.000 1.271 49 N CA -1.020 51.969 53.050 -0.102 0.000 1.184 49 N CB -1.208 37.233 38.487 -0.077 0.000 1.452 49 N HN 0.072 8.289 8.380 -0.271 0.000 0.534 50 A N 1.979 124.765 122.820 -0.056 0.000 2.414 50 A HA 0.275 4.764 4.320 0.283 0.000 0.286 50 A C -1.823 175.938 177.584 0.294 0.000 1.073 50 A CA -0.691 51.419 52.037 0.122 0.000 0.727 50 A CB 2.191 21.069 19.000 -0.203 0.000 1.215 50 A HN -0.460 7.591 8.150 -0.064 0.061 0.430 51 E N 3.219 123.652 120.200 0.389 0.000 2.165 51 E HA 0.291 4.746 4.350 0.176 0.000 0.266 51 E C -1.031 175.652 176.600 0.138 0.000 0.889 51 E CA -0.862 55.665 56.400 0.212 0.000 0.756 51 E CB 2.055 31.816 29.700 0.103 0.000 1.131 51 E HN 0.113 8.765 8.360 0.486 0.000 0.411 52 S N 1.661 117.428 115.700 0.112 0.000 3.935 52 S HA -0.363 4.116 4.470 0.015 0.000 0.633 52 S C -1.342 173.304 174.600 0.077 0.000 1.915 52 S CA 0.427 58.633 58.200 0.011 0.000 2.493 52 S CB 0.064 63.189 63.200 -0.125 0.000 0.317 52 S HN 0.349 8.748 8.310 0.150 0.000 1.407 53 R N 1.661 122.133 120.500 -0.047 0.000 2.536 53 R HA 0.616 5.319 4.340 0.265 -0.204 0.279 53 R C -0.817 175.361 176.300 -0.203 0.000 1.001 53 R CA -0.677 55.447 56.100 0.041 0.000 1.027 53 R CB 1.671 32.000 30.300 0.048 0.000 1.096 53 R HN 0.022 8.248 8.270 -0.073 0.000 0.502 54 Y N -1.671 118.743 120.300 0.190 0.000 2.512 54 Y HA 0.180 4.794 4.550 0.106 0.000 0.348 54 Y C -0.776 175.167 175.900 0.073 0.000 0.990 54 Y CA -1.320 56.852 58.100 0.119 0.000 1.033 54 Y CB 2.993 41.504 38.460 0.086 0.000 1.259 54 Y HN 0.335 8.873 8.280 0.430 0.000 0.461 55 V N 2.444 122.455 119.914 0.162 0.000 2.614 55 V HA 0.042 4.348 4.120 0.086 -0.134 0.291 55 V C -0.278 175.865 176.094 0.082 0.000 1.049 55 V CA 0.824 63.180 62.300 0.093 0.000 1.038 55 V CB -0.064 31.791 31.823 0.054 0.000 0.980 55 V HN 0.739 9.022 8.190 0.155 0.000 0.481 56 L N 2.284 123.555 121.223 0.080 0.000 2.370 56 L HA 1.008 5.573 4.340 0.097 -0.166 0.266 56 L C -1.571 175.347 176.870 0.079 0.000 1.002 56 L CA -1.595 53.306 54.840 0.100 0.000 0.818 56 L CB 3.889 46.029 42.059 0.136 0.000 1.325 56 L HN 0.382 8.652 8.230 0.065 0.000 0.418 57 T N 1.433 116.058 114.554 0.118 0.000 2.912 57 T HA 0.716 5.292 4.350 0.071 -0.183 0.299 57 T C -1.208 173.595 174.700 0.171 0.000 1.052 57 T CA -1.560 60.601 62.100 0.102 0.000 0.996 57 T CB 2.259 71.168 68.868 0.069 0.000 1.070 57 T HN -0.063 8.272 8.240 0.158 0.000 0.465 58 G N 3.513 112.411 108.800 0.163 0.000 2.619 58 G HA2 0.678 4.760 3.960 0.204 0.000 0.305 58 G HA3 0.678 4.965 3.960 0.310 -0.141 0.305 58 G C -2.834 172.173 174.900 0.178 0.000 1.330 58 G CA 0.420 45.651 45.100 0.218 0.000 0.789 58 G HN 0.411 8.771 8.290 0.117 0.000 0.487 59 R N -3.440 117.184 120.500 0.207 0.000 2.774 59 R HA 1.169 5.840 4.340 0.219 -0.199 0.272 59 R C -1.643 174.827 176.300 0.283 0.000 1.000 59 R CA -2.432 53.789 56.100 0.201 0.000 0.906 59 R CB 4.844 35.208 30.300 0.106 0.000 1.227 59 R HN -0.192 8.218 8.270 0.234 0.000 0.468 60 Y N -3.118 117.212 120.300 0.050 0.000 2.677 60 Y HA 0.591 5.303 4.550 0.074 -0.117 0.334 60 Y C -1.928 173.996 175.900 0.039 0.000 1.154 60 Y CA -2.851 55.280 58.100 0.052 0.000 1.070 60 Y CB 2.161 40.637 38.460 0.027 0.000 1.294 60 Y HN 0.546 8.799 8.280 0.120 0.099 0.475 61 D N -0.128 120.234 120.400 -0.064 0.000 2.422 61 D HA 0.183 4.697 4.640 -0.209 0.000 0.227 61 D C -0.128 175.999 176.300 -0.290 0.000 1.190 61 D CA -1.212 52.692 54.000 -0.159 0.000 0.905 61 D CB 0.112 40.917 40.800 0.009 0.000 1.034 61 D HN 0.044 8.527 8.370 0.189 0.000 0.507 62 S N 4.415 119.754 115.700 -0.602 0.000 2.442 62 S HA -0.366 3.914 4.470 -0.315 0.000 0.236 62 S C -0.200 174.357 174.600 -0.072 0.000 1.007 62 S CA 1.837 59.792 58.200 -0.408 0.000 0.965 62 S CB 0.202 63.168 63.200 -0.389 0.000 0.773 62 S HN -0.136 7.800 8.310 -0.623 0.000 0.504 63 A N 1.523 124.302 122.820 -0.068 0.000 2.923 63 A HA 0.467 4.799 4.320 0.019 0.000 0.343 63 A C -2.779 174.817 177.584 0.020 0.000 1.199 63 A CA -3.259 48.775 52.037 -0.005 0.000 0.878 63 A CB -0.110 18.879 19.000 -0.017 0.000 1.104 63 A HN -0.687 7.446 8.150 -0.118 -0.053 0.483 64 P HA 0.135 4.798 4.420 0.067 -0.203 0.293 64 P C -1.089 176.244 177.300 0.055 0.000 1.285 64 P CA -0.323 62.821 63.100 0.073 0.000 0.775 64 P CB 1.284 33.056 31.700 0.120 0.000 1.351 65 A N -3.726 119.128 122.820 0.057 0.000 2.299 65 A HA 0.401 4.743 4.320 0.036 0.000 0.332 65 A C 0.679 178.290 177.584 0.046 0.000 1.131 65 A CA -1.904 50.158 52.037 0.043 0.000 0.844 65 A CB 2.602 21.624 19.000 0.038 0.000 1.251 65 A HN -0.199 7.991 8.150 0.067 0.000 0.486 66 T N 0.159 114.735 114.554 0.037 0.000 3.766 66 T HA 0.040 4.417 4.350 0.043 0.000 0.327 66 T C -1.550 173.169 174.700 0.033 0.000 1.595 66 T CA -0.513 61.609 62.100 0.037 0.000 1.204 66 T CB -1.453 67.433 68.868 0.030 0.000 1.245 66 T HN 0.331 8.613 8.240 0.032 -0.023 0.875 67 D N 1.113 121.535 120.400 0.036 0.000 2.838 67 D HA 0.020 4.676 4.640 0.027 0.000 0.334 67 D C -0.681 175.639 176.300 0.034 0.000 1.315 67 D CA -1.136 52.883 54.000 0.031 0.000 0.917 67 D CB 1.340 42.156 40.800 0.027 0.000 1.435 67 D HN 0.311 8.471 8.370 0.044 0.236 0.517 68 G N -2.167 106.650 108.800 0.027 0.000 3.717 68 G HA2 0.096 4.073 3.960 0.028 0.000 0.258 68 G HA3 0.096 4.068 3.960 0.019 0.000 0.258 68 G C -0.651 174.263 174.900 0.024 0.000 1.088 68 G CA -0.324 44.791 45.100 0.025 0.000 1.737 68 G HN -0.166 8.138 8.290 0.024 0.000 0.648 69 S N 0.862 116.583 115.700 0.035 0.000 2.722 69 S HA 0.252 4.741 4.470 0.031 0.000 0.292 69 S C -0.301 174.329 174.600 0.049 0.000 1.135 69 S CA -0.447 57.776 58.200 0.039 0.000 1.003 69 S CB 2.143 65.369 63.200 0.044 0.000 1.067 69 S HN -0.595 7.739 8.310 0.041 0.000 0.546 70 G N -0.976 107.858 108.800 0.055 0.000 2.488 70 G HA2 0.326 4.382 3.960 0.056 0.000 0.318 70 G HA3 0.326 4.321 3.960 0.062 0.003 0.318 70 G C -1.364 173.614 174.900 0.130 0.000 1.188 70 G CA -1.103 44.041 45.100 0.074 0.000 0.944 70 G HN -0.122 8.198 8.290 0.050 0.000 0.495 71 T N 3.937 118.617 114.554 0.209 0.000 2.749 71 T HA 0.096 4.558 4.350 0.187 0.000 0.287 71 T C -0.714 174.121 174.700 0.224 0.000 0.970 71 T CA 0.611 62.858 62.100 0.244 0.000 0.980 71 T CB 1.114 70.201 68.868 0.364 0.000 0.924 71 T HN 0.268 8.548 8.240 0.243 0.106 0.456 72 A N 8.485 131.408 122.820 0.172 0.000 2.401 72 A HA 0.568 5.159 4.320 0.157 -0.178 0.259 72 A C -1.476 176.224 177.584 0.194 0.000 1.103 72 A CA -0.518 51.613 52.037 0.157 0.000 0.789 72 A CB 1.047 20.112 19.000 0.108 0.000 1.035 72 A HN 0.629 8.866 8.150 0.145 0.000 0.491 73 L N -3.616 117.731 121.223 0.207 0.000 2.630 73 L HA 1.004 5.603 4.340 0.244 -0.112 0.258 73 L C -0.956 176.059 176.870 0.242 0.000 1.072 73 L CA -1.305 53.687 54.840 0.254 0.000 0.885 73 L CB 3.040 45.276 42.059 0.296 0.000 1.502 73 L HN 0.061 8.405 8.230 0.190 0.000 0.406 74 G N -3.815 105.162 108.800 0.296 0.000 2.632 74 G HA2 0.714 4.916 3.960 0.138 0.000 0.292 74 G HA3 0.714 4.755 3.960 0.135 0.000 0.292 74 G C -3.170 171.965 174.900 0.391 0.000 1.465 74 G CA 0.791 46.028 45.100 0.229 0.000 0.824 74 G HN -0.319 8.169 8.290 0.331 0.000 0.509 75 W N -3.402 117.969 121.300 0.119 0.000 3.066 75 W HA 0.659 5.466 4.660 0.074 -0.103 0.330 75 W C -3.140 173.464 176.519 0.142 0.000 1.253 75 W CA -1.467 55.935 57.345 0.094 0.000 1.187 75 W CB 2.014 31.497 29.460 0.038 0.000 1.434 75 W HN 0.366 8.513 8.180 -0.056 0.000 0.572 76 T N 1.306 116.035 114.554 0.291 0.000 2.893 76 T HA 0.820 5.393 4.350 0.061 -0.186 0.291 76 T C -1.557 173.217 174.700 0.123 0.000 1.028 76 T CA -0.411 61.767 62.100 0.129 0.000 0.995 76 T CB 3.092 71.985 68.868 0.043 0.000 1.051 76 T HN 0.496 8.942 8.240 0.343 0.000 0.470 77 V N 4.310 124.182 119.914 -0.071 0.000 2.623 77 V HA 0.331 4.324 4.120 -0.211 0.000 0.304 77 V C -2.403 173.305 176.094 -0.643 0.000 1.054 77 V CA -1.226 60.852 62.300 -0.369 0.000 0.882 77 V CB 4.036 35.442 31.823 -0.695 0.000 1.002 77 V HN 0.344 8.458 8.190 -0.127 0.000 0.424 78 A N 4.945 127.474 122.820 -0.486 0.000 2.304 78 A HA 0.556 4.759 4.320 -0.362 -0.100 0.323 78 A C -0.298 177.035 177.584 -0.417 0.000 1.195 78 A CA -1.704 50.124 52.037 -0.348 0.000 0.826 78 A CB 1.923 20.855 19.000 -0.113 0.000 1.184 78 A HN 0.657 8.614 8.150 -0.322 0.000 0.496 79 W N 4.776 126.018 121.300 -0.097 0.000 1.564 79 W HA -0.073 4.286 4.660 -0.502 0.000 0.448 79 W C -1.412 175.150 176.519 0.071 0.000 0.601 79 W CA -1.358 55.860 57.345 -0.211 0.000 2.326 79 W CB -0.707 28.569 29.460 -0.305 0.000 1.355 79 W HN 0.623 8.725 8.180 -0.131 0.000 0.382 80 K N 0.925 121.538 120.400 0.355 0.000 2.482 80 K HA 0.598 5.259 4.320 0.270 -0.179 0.251 80 K C -1.790 174.970 176.600 0.265 0.000 0.936 80 K CA -1.190 55.255 56.287 0.264 0.000 0.791 80 K CB 3.129 35.684 32.500 0.092 0.000 1.213 80 K HN -0.357 7.996 8.250 0.295 0.074 0.428 81 N N 4.845 123.630 118.700 0.143 0.000 3.418 81 N HA 0.233 4.960 4.740 -0.022 0.000 0.316 81 N C -0.758 174.684 175.510 -0.113 0.000 1.601 81 N CA -1.284 51.744 53.050 -0.035 0.000 0.805 81 N CB 0.888 39.222 38.487 -0.255 0.000 1.873 81 N HN 0.842 9.313 8.380 0.151 0.000 0.615 82 N N -1.415 117.114 118.700 -0.285 0.000 2.512 82 N HA -0.011 4.539 4.740 -0.318 0.000 0.183 82 N C 0.099 175.173 175.510 -0.726 0.000 1.073 82 N CA 2.355 55.084 53.050 -0.535 0.000 0.911 82 N CB 0.157 38.179 38.487 -0.776 0.000 0.964 82 N HN 0.130 8.355 8.380 -0.259 0.000 0.447 83 Y N -2.426 117.858 120.300 -0.025 0.000 2.559 83 Y HA 0.096 4.646 4.550 0.001 0.000 0.279 83 Y C 0.057 175.973 175.900 0.026 0.000 1.117 83 Y CA 1.510 59.608 58.100 -0.004 0.000 1.263 83 Y CB 1.640 40.091 38.460 -0.015 0.000 1.230 83 Y HN -0.345 8.044 8.280 -0.185 -0.220 0.528 84 R N -3.478 117.132 120.500 0.183 0.000 2.869 84 R HA 0.397 4.807 4.340 0.117 0.000 0.263 84 R C -2.862 173.519 176.300 0.135 0.000 1.066 84 R CA -1.604 54.594 56.100 0.163 0.000 0.960 84 R CB 4.349 34.786 30.300 0.228 0.000 1.221 84 R HN 0.356 9.153 8.270 0.169 -0.425 0.474 85 N N -0.844 117.893 118.700 0.062 0.000 2.699 85 N HA 0.321 5.238 4.740 0.013 -0.169 0.271 85 N C -1.484 173.896 175.510 -0.216 0.000 1.216 85 N CA 0.378 53.374 53.050 -0.089 0.000 0.844 85 N CB 1.231 39.588 38.487 -0.216 0.000 1.462 85 N HN 0.303 8.720 8.380 0.061 0.000 0.555 86 A N 2.081 124.856 122.820 -0.074 0.000 2.251 86 A HA 0.038 4.348 4.320 -0.016 0.000 0.209 86 A C 0.161 177.746 177.584 0.002 0.000 1.187 86 A CA -0.135 51.882 52.037 -0.034 0.000 0.823 86 A CB 0.371 19.367 19.000 -0.007 0.000 0.846 86 A HN 0.834 9.021 8.150 0.063 0.000 0.486 87 H N -2.462 116.666 119.070 0.097 0.000 2.692 87 H HA -0.384 4.213 4.556 0.068 0.000 0.316 87 H C -1.974 173.394 175.328 0.067 0.000 1.176 87 H CA 1.178 57.266 56.048 0.067 0.000 1.142 87 H CB -2.902 26.882 29.762 0.037 0.000 1.475 87 H HN -0.156 8.107 8.280 -0.383 -0.213 0.423 88 S N -5.298 110.504 115.700 0.171 0.000 2.625 88 S HA 0.950 5.612 4.470 0.120 -0.120 0.271 88 S C -2.516 172.217 174.600 0.223 0.000 1.161 88 S CA -1.165 57.142 58.200 0.178 0.000 0.820 88 S CB 4.254 67.547 63.200 0.155 0.000 1.137 88 S HN -0.418 7.991 8.310 0.165 0.000 0.470 89 A N -1.284 121.624 122.820 0.146 0.000 2.549 89 A HA 0.813 5.125 4.320 -0.216 -0.122 0.297 89 A C -2.376 175.189 177.584 -0.032 0.000 1.061 89 A CA -0.355 51.663 52.037 -0.033 0.000 0.690 89 A CB 3.912 22.869 19.000 -0.073 0.000 1.287 89 A HN 0.702 8.920 8.150 0.113 0.000 0.402 90 T N 2.672 117.121 114.554 -0.176 0.000 2.893 90 T HA 1.106 5.535 4.350 -0.233 -0.220 0.291 90 T C -0.791 173.663 174.700 -0.409 0.000 1.028 90 T CA -1.310 60.590 62.100 -0.333 0.000 0.995 90 T CB 2.953 71.454 68.868 -0.611 0.000 1.051 90 T HN 0.684 8.716 8.240 -0.345 0.000 0.470 91 T N 1.128 115.425 114.554 -0.427 0.000 2.848 91 T HA 0.760 5.193 4.350 -0.184 -0.194 0.285 91 T C -1.438 173.018 174.700 -0.407 0.000 0.995 91 T CA -1.644 60.287 62.100 -0.282 0.000 0.970 91 T CB 2.549 71.330 68.868 -0.145 0.000 0.976 91 T HN 0.310 8.308 8.240 -0.403 0.000 0.441 92 W N 5.065 126.011 121.300 -0.590 0.000 2.529 92 W HA 0.406 5.029 4.660 -0.276 -0.128 0.321 92 W C -1.450 174.773 176.519 -0.493 0.000 1.047 92 W CA -1.153 55.800 57.345 -0.653 0.000 1.216 92 W CB 3.435 31.994 29.460 -1.501 0.000 1.357 92 W HN 0.809 8.818 8.180 -0.286 0.000 0.489 93 S N 2.029 117.695 115.700 -0.058 0.000 2.561 93 S HA 0.653 5.254 4.470 0.007 -0.126 0.303 93 S C -1.072 173.560 174.600 0.054 0.000 1.110 93 S CA -1.428 56.770 58.200 -0.004 0.000 1.034 93 S CB 1.488 64.682 63.200 -0.009 0.000 1.010 93 S HN 0.770 9.072 8.310 -0.013 0.000 0.482 94 G N 4.468 113.327 108.800 0.099 0.000 2.578 94 G HA2 0.604 4.627 3.960 0.104 0.000 0.302 94 G HA3 0.604 4.842 3.960 0.166 -0.178 0.302 94 G C -3.230 171.759 174.900 0.149 0.000 1.243 94 G CA 0.658 45.837 45.100 0.132 0.000 0.843 94 G HN 0.358 8.717 8.290 0.114 0.000 0.486 95 Q N -1.820 118.072 119.800 0.154 0.000 2.372 95 Q HA 0.818 5.460 4.340 0.179 -0.195 0.273 95 Q C -1.952 174.153 176.000 0.174 0.000 1.078 95 Q CA -1.607 54.290 55.803 0.156 0.000 0.806 95 Q CB 5.375 34.176 28.738 0.105 0.000 1.332 95 Q HN -0.021 8.341 8.270 0.154 0.000 0.435 96 Y N 4.066 124.419 120.300 0.087 0.000 2.342 96 Y HA 0.579 5.317 4.550 0.050 -0.158 0.334 96 Y C -2.351 173.608 175.900 0.100 0.000 1.067 96 Y CA -1.799 56.343 58.100 0.070 0.000 1.128 96 Y CB 2.712 41.199 38.460 0.046 0.000 1.200 96 Y HN 0.851 9.190 8.280 0.292 0.116 0.464 97 V N 6.835 126.314 119.914 -0.724 0.000 2.525 97 V HA 0.252 4.153 4.120 -0.364 0.000 0.299 97 V C -1.566 174.063 176.094 -0.775 0.000 1.034 97 V CA -1.548 60.445 62.300 -0.512 0.000 0.863 97 V CB 3.031 34.740 31.823 -0.190 0.000 0.999 97 V HN 0.361 8.137 8.190 -0.689 0.000 0.423 98 G N 4.580 113.046 108.800 -0.557 0.000 2.557 98 G HA2 0.535 4.364 3.960 -0.217 0.000 0.302 98 G HA3 0.535 4.504 3.960 0.015 0.000 0.302 98 G C -0.941 173.924 174.900 -0.057 0.000 1.311 98 G CA -1.402 43.569 45.100 -0.214 0.000 1.030 98 G HN 0.439 8.521 8.290 -0.347 0.000 0.509 99 G N -2.035 106.775 108.800 0.017 0.000 2.278 99 G HA2 -0.178 3.796 3.960 0.023 0.000 0.265 99 G HA3 -0.178 3.783 3.960 0.002 0.000 0.265 99 G C -1.086 173.826 174.900 0.020 0.000 1.329 99 G CA -0.429 44.680 45.100 0.015 0.000 1.017 99 G HN -0.132 8.195 8.290 0.062 0.000 0.472 100 A N -0.385 122.443 122.820 0.013 0.000 1.897 100 A HA -0.011 4.314 4.320 0.007 0.000 0.215 100 A C 0.478 178.066 177.584 0.006 0.000 1.181 100 A CA 1.145 53.188 52.037 0.009 0.000 0.620 100 A CB 0.286 19.292 19.000 0.009 0.000 0.821 100 A HN 0.105 8.262 8.150 0.012 0.000 0.443 101 E N -0.195 120.012 120.200 0.013 0.000 2.070 101 E HA 0.088 4.445 4.350 0.013 0.000 0.261 101 E C -2.006 174.612 176.600 0.030 0.000 0.926 101 E CA -1.014 55.399 56.400 0.021 0.000 0.760 101 E CB 0.097 29.816 29.700 0.032 0.000 1.133 101 E HN -0.024 8.344 8.360 0.013 0.000 0.420 102 A N 5.854 128.698 122.820 0.039 0.000 2.328 102 A HA 0.238 4.721 4.320 0.004 -0.161 0.284 102 A C -0.953 176.792 177.584 0.268 0.000 1.160 102 A CA -0.381 51.717 52.037 0.102 0.000 0.818 102 A CB 1.617 20.726 19.000 0.182 0.000 1.087 102 A HN 0.228 8.383 8.150 0.007 0.000 0.504 103 R N -0.234 120.405 120.500 0.231 0.000 2.837 103 R HA 0.978 5.832 4.340 0.533 -0.195 0.271 103 R C -1.656 174.769 176.300 0.208 0.000 0.993 103 R CA -3.143 53.147 56.100 0.316 0.000 0.931 103 R CB 4.591 34.994 30.300 0.172 0.000 1.206 103 R HN 0.234 8.520 8.270 0.026 0.000 0.474 104 I N 0.470 121.176 120.570 0.227 0.000 2.468 104 I HA 0.531 5.002 4.170 0.135 -0.220 0.285 104 I C -1.720 174.575 176.117 0.298 0.000 1.039 104 I CA -1.113 60.285 61.300 0.164 0.000 1.074 104 I CB 3.009 40.985 38.000 -0.039 0.000 1.228 104 I HN 0.015 8.428 8.210 0.338 0.000 0.436 105 N N 9.158 127.994 118.700 0.226 0.000 2.408 105 N HA 0.612 5.492 4.740 0.234 0.000 0.280 105 N C -0.734 174.916 175.510 0.234 0.000 1.002 105 N CA -0.967 52.209 53.050 0.211 0.000 0.907 105 N CB 2.484 41.047 38.487 0.128 0.000 1.161 105 N HN 0.263 8.749 8.380 0.178 0.000 0.488 106 T N -0.829 113.895 114.554 0.284 0.000 2.838 106 T HA 0.699 5.297 4.350 0.187 -0.135 0.292 106 T C -1.116 173.718 174.700 0.224 0.000 1.113 106 T CA -1.907 60.356 62.100 0.271 0.000 1.008 106 T CB 3.230 72.345 68.868 0.412 0.000 1.259 106 T HN 0.783 9.204 8.240 0.302 0.000 0.520 107 Q N -0.421 119.456 119.800 0.128 0.000 2.372 107 Q HA 0.653 5.093 4.340 -0.076 -0.146 0.273 107 Q C -1.693 174.266 176.000 -0.068 0.000 1.078 107 Q CA -0.841 54.941 55.803 -0.035 0.000 0.806 107 Q CB 4.827 33.524 28.738 -0.068 0.000 1.332 107 Q HN 0.279 8.616 8.270 0.113 0.000 0.435 108 W N -0.796 120.389 121.300 -0.192 0.000 2.975 108 W HA 1.030 5.580 4.660 -0.458 -0.164 0.342 108 W C -2.925 173.392 176.519 -0.337 0.000 1.168 108 W CA -2.973 54.103 57.345 -0.448 0.000 1.141 108 W CB 3.505 32.392 29.460 -0.956 0.000 1.445 108 W HN 0.833 8.565 8.180 -0.747 0.000 0.560 109 L N -0.772 120.458 121.223 0.012 0.000 2.409 109 L HA 0.747 5.267 4.340 -0.023 -0.193 0.272 109 L C -1.904 175.011 176.870 0.074 0.000 0.980 109 L CA -1.195 53.651 54.840 0.011 0.000 0.826 109 L CB 3.260 45.280 42.059 -0.065 0.000 1.268 109 L HN 0.262 8.430 8.230 -0.103 0.000 0.407 110 L N 4.973 126.290 121.223 0.157 0.000 2.316 110 L HA 0.693 5.187 4.340 -0.021 -0.166 0.280 110 L C -1.747 175.139 176.870 0.028 0.000 1.006 110 L CA -1.548 53.325 54.840 0.055 0.000 0.836 110 L CB 3.172 45.261 42.059 0.051 0.000 1.221 110 L HN 0.892 9.133 8.230 0.193 0.106 0.418 111 T N 9.376 123.935 114.554 0.008 0.000 2.797 111 T HA 0.694 5.270 4.350 -0.011 -0.232 0.279 111 T C -0.826 173.883 174.700 0.015 0.000 0.991 111 T CA -0.398 61.702 62.100 -0.001 0.000 0.979 111 T CB 2.006 70.870 68.868 -0.008 0.000 0.943 111 T HN 0.824 9.067 8.240 0.004 0.000 0.444 112 S N 6.801 122.500 115.700 -0.001 0.000 2.537 112 S HA 0.499 5.136 4.470 0.049 -0.138 0.301 112 S C -0.089 174.515 174.600 0.007 0.000 1.092 112 S CA -0.556 57.653 58.200 0.014 0.000 1.048 112 S CB 2.878 66.070 63.200 -0.013 0.000 1.053 112 S HN 0.254 8.550 8.310 -0.023 0.000 0.501 113 G N 2.354 111.173 108.800 0.032 0.000 2.406 113 G HA2 0.002 3.963 3.960 0.003 0.000 0.251 113 G HA3 0.002 3.973 3.960 0.018 0.000 0.251 113 G C -0.544 174.342 174.900 -0.023 0.000 1.271 113 G CA 0.363 45.468 45.100 0.008 0.000 0.859 113 G HN 0.096 8.430 8.290 0.073 0.000 0.540 114 T N -1.023 113.511 114.554 -0.034 0.000 2.696 114 T HA 0.137 4.455 4.350 -0.053 0.000 0.291 114 T C -0.889 173.790 174.700 -0.035 0.000 1.095 114 T CA -1.555 60.516 62.100 -0.049 0.000 1.026 114 T CB 2.461 71.283 68.868 -0.076 0.000 1.390 114 T HN -0.391 7.834 8.240 -0.026 0.000 0.513 115 T N -2.862 111.673 114.554 -0.032 0.000 2.847 115 T HA 0.154 4.496 4.350 -0.015 0.000 0.279 115 T C 1.042 175.742 174.700 -0.000 0.000 0.984 115 T CA -1.245 60.847 62.100 -0.014 0.000 0.988 115 T CB 1.095 69.957 68.868 -0.010 0.000 1.040 115 T HN -0.154 8.061 8.240 -0.041 0.000 0.528 116 E N 1.268 121.476 120.200 0.014 0.000 2.058 116 E HA -0.445 3.922 4.350 0.028 0.000 0.194 116 E C 2.201 178.837 176.600 0.061 0.000 0.997 116 E CA 3.170 59.589 56.400 0.031 0.000 0.801 116 E CB -0.332 29.386 29.700 0.030 0.000 0.746 116 E HN 0.455 8.821 8.360 0.010 0.000 0.450 117 A N -1.481 121.376 122.820 0.062 0.000 1.948 117 A HA -0.198 4.197 4.320 0.125 0.000 0.220 117 A C 0.846 178.528 177.584 0.163 0.000 1.177 117 A CA 2.486 54.587 52.037 0.107 0.000 0.636 117 A CB -0.737 18.310 19.000 0.079 0.000 0.815 117 A HN 0.228 8.396 8.150 0.042 0.007 0.449 118 N N -4.023 114.705 118.700 0.047 0.000 2.214 118 N HA 0.127 4.792 4.740 -0.126 0.000 0.214 118 N C 0.763 176.140 175.510 -0.222 0.000 1.132 118 N CA -0.046 52.936 53.050 -0.114 0.000 0.856 118 N CB 0.678 39.078 38.487 -0.145 0.000 1.020 118 N HN -0.621 7.656 8.380 0.018 0.114 0.509 119 A N 1.654 124.444 122.820 -0.050 0.000 2.019 119 A HA -0.081 4.192 4.320 -0.080 0.000 0.219 119 A C 1.688 179.248 177.584 -0.041 0.000 1.164 119 A CA 2.929 54.942 52.037 -0.041 0.000 0.644 119 A CB -0.384 18.633 19.000 0.029 0.000 0.805 119 A HN -0.304 7.677 8.150 0.037 0.191 0.449 120 W N -5.440 115.856 121.300 -0.006 0.000 2.468 120 W HA -0.206 4.448 4.660 -0.009 0.000 0.262 120 W C -0.362 176.152 176.519 -0.009 0.000 1.241 120 W CA 0.483 57.823 57.345 -0.008 0.000 1.232 120 W CB -1.020 28.435 29.460 -0.009 0.000 1.124 120 W HN -0.089 8.200 8.180 0.218 0.022 0.597 121 K N -2.440 117.487 120.400 -0.789 0.000 2.726 121 K HA 0.356 4.381 4.320 -0.491 0.000 0.209 121 K C -0.073 176.300 176.600 -0.378 0.000 1.082 121 K CA -0.726 55.110 56.287 -0.752 0.000 1.081 121 K CB 0.133 31.820 32.500 -1.354 0.000 0.830 121 K HN -0.620 6.937 8.250 -0.872 0.170 0.470 122 S N -0.630 114.933 115.700 -0.230 0.000 2.501 122 S HA -0.027 4.354 4.470 -0.148 0.000 0.220 122 S C -0.674 173.876 174.600 -0.082 0.000 0.997 122 S CA 1.256 59.374 58.200 -0.136 0.000 0.919 122 S CB 0.874 64.019 63.200 -0.091 0.000 0.778 122 S HN -0.335 7.801 8.310 -0.195 0.057 0.523 123 T N 4.764 119.276 114.554 -0.070 0.000 2.792 123 T HA 0.634 5.224 4.350 -0.022 -0.253 0.280 123 T C -0.410 174.272 174.700 -0.030 0.000 0.990 123 T CA 0.328 62.407 62.100 -0.036 0.000 0.960 123 T CB 1.946 70.797 68.868 -0.030 0.000 0.939 123 T HN -0.728 7.464 8.240 -0.081 0.000 0.439 124 L N 6.374 127.604 121.223 0.012 0.000 2.344 124 L HA 0.511 4.833 4.340 -0.029 0.000 0.272 124 L C -1.527 175.304 176.870 -0.066 0.000 1.035 124 L CA -0.784 54.068 54.840 0.020 0.000 0.807 124 L CB 2.770 44.915 42.059 0.143 0.000 1.237 124 L HN 0.777 8.927 8.230 0.043 0.106 0.442 125 V N 0.277 120.020 119.914 -0.285 0.000 2.876 125 V HA 0.976 4.893 4.120 -0.676 -0.203 0.312 125 V C -1.465 174.009 176.094 -1.032 0.000 1.085 125 V CA -2.597 59.344 62.300 -0.599 0.000 0.945 125 V CB 3.679 35.304 31.823 -0.330 0.000 1.017 125 V HN 0.039 8.095 8.190 -0.224 0.000 0.428 126 G N 4.469 112.278 108.800 -1.651 0.000 2.561 126 G HA2 0.246 3.764 3.960 -0.737 0.000 0.310 126 G HA3 0.246 3.204 3.960 -1.671 0.000 0.310 126 G C -3.363 170.814 174.900 -1.204 0.000 1.292 126 G CA 0.453 44.704 45.100 -1.416 0.000 0.811 126 G HN -0.150 7.133 8.290 -1.678 0.000 0.482 127 H N -4.044 114.727 119.070 -0.497 0.000 2.930 127 H HA 0.375 4.893 4.556 -0.181 -0.070 0.371 127 H C -1.839 173.633 175.328 0.240 0.000 1.169 127 H CA -1.510 54.464 56.048 -0.125 0.000 1.157 127 H CB 3.388 33.098 29.762 -0.087 0.000 1.789 127 H HN 0.041 7.711 8.280 -1.016 0.000 0.547 128 D N 0.823 121.481 120.400 0.430 0.000 2.732 128 D HA 0.436 5.175 4.640 0.165 0.000 0.229 128 D C -1.574 174.791 176.300 0.109 0.000 1.152 128 D CA -0.380 53.766 54.000 0.243 0.000 0.854 128 D CB 4.609 45.537 40.800 0.214 0.000 1.590 128 D HN 0.001 8.647 8.370 0.460 0.000 0.468 129 T N 3.592 118.102 114.554 -0.073 0.000 2.848 129 T HA 0.798 5.445 4.350 0.173 -0.193 0.285 129 T C -1.204 173.410 174.700 -0.144 0.000 0.995 129 T CA -0.293 61.825 62.100 0.029 0.000 0.970 129 T CB 2.089 71.016 68.868 0.098 0.000 0.976 129 T HN 0.008 8.433 8.240 -0.127 -0.261 0.441 130 F N 5.692 125.764 119.950 0.204 0.000 2.480 130 F HA 0.704 5.574 4.527 0.219 -0.212 0.329 130 F C -0.103 175.870 175.800 0.288 0.000 1.091 130 F CA -1.727 56.413 58.000 0.235 0.000 0.972 130 F CB 3.608 42.747 39.000 0.232 0.000 1.150 130 F HN 0.948 9.415 8.300 0.456 0.107 0.467 131 T N 3.857 118.543 114.554 0.219 0.000 2.829 131 T HA 0.431 4.887 4.350 0.176 0.000 0.280 131 T C -1.140 173.284 174.700 -0.460 0.000 0.999 131 T CA -0.546 61.497 62.100 -0.095 0.000 0.983 131 T CB 2.319 71.029 68.868 -0.262 0.000 0.968 131 T HN 0.919 9.174 8.240 0.025 0.000 0.446 132 K N 6.639 126.724 120.400 -0.524 0.000 2.174 132 K HA 0.162 3.859 4.320 -1.262 -0.133 0.275 132 K C -1.327 174.951 176.600 -0.537 0.000 1.015 132 K CA 0.399 56.054 56.287 -1.053 0.000 0.933 132 K CB 1.191 32.772 32.500 -1.532 0.000 1.025 132 K HN -0.202 7.872 8.250 -0.292 0.000 0.463 133 V N 4.198 123.857 119.914 -0.424 0.000 3.134 133 V HA 0.263 4.359 4.120 -0.040 0.000 0.222 133 V C -0.600 175.394 176.094 -0.167 0.000 1.247 133 V CA -0.141 62.092 62.300 -0.110 0.000 1.281 133 V CB 2.236 34.148 31.823 0.149 0.000 1.169 133 V HN 0.751 8.597 8.190 -0.572 0.000 0.512 134 K N 0.444 120.717 120.400 -0.211 0.000 2.166 134 K HA 0.546 4.780 4.320 -0.144 0.000 0.245 134 K C -1.981 174.466 176.600 -0.255 0.000 0.967 134 K CA -3.288 52.890 56.287 -0.181 0.000 0.863 134 K CB 0.435 32.859 32.500 -0.127 0.000 1.107 134 K HN -0.565 7.542 8.250 -0.238 0.000 0.436 135 P HA 0.000 4.465 4.420 -0.210 -0.171 0.216 135 P CA 0.000 62.996 63.100 -0.173 0.000 0.800 135 P CB 0.000 31.624 31.700 -0.127 0.000 0.726