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 1u34_6_A DATA FIRST_RESID 15 DATA SEQUENCE GSGMKETAAA KFERQHMDSP DLGTTLLEQY cHRTTIGNFS GPYTYcNTTL DATA SEQUENCE DQIGTcWPQS APGALVERPc PEYFNGIKYN TTRNAYREcL ENGTWASRVN DATA SEQUENCE YSHcEPILDD KQRKYDLHY 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 15 G C 0.000 174.900 174.900 -0.000 0.000 0.946 15 G CA 0.000 45.100 45.100 -0.001 0.000 0.502 16 S N -0.929 114.771 115.700 0.000 0.000 3.465 16 S HA -0.215 4.255 4.470 0.001 0.000 0.849 16 S C 0.052 174.653 174.600 0.001 0.000 1.200 16 S CA -0.393 57.808 58.200 0.001 0.000 0.947 16 S CB 0.767 63.967 63.200 0.001 0.000 0.609 16 S HN 0.181 8.491 8.310 0.000 0.000 0.300 17 G N 0.346 109.147 108.800 0.002 0.000 2.548 17 G HA2 0.105 4.066 3.960 0.002 0.000 0.221 17 G HA3 0.105 4.067 3.960 0.002 0.000 0.221 17 G C -0.421 174.481 174.900 0.003 0.000 1.796 17 G CA -0.182 44.919 45.100 0.002 0.000 0.889 17 G HN 0.059 8.350 8.290 0.002 0.000 0.599 18 M N 1.178 120.780 119.600 0.003 0.000 3.480 18 M HA -0.206 4.277 4.480 0.004 0.000 0.163 18 M C -0.933 175.369 176.300 0.005 0.000 1.420 18 M CA -0.040 55.262 55.300 0.004 0.000 0.919 18 M CB -0.816 31.787 32.600 0.005 0.000 1.294 18 M HN -0.191 8.100 8.290 0.003 0.000 0.559 19 K N -0.544 119.858 120.400 0.004 0.000 2.543 19 K HA -0.231 4.091 4.320 0.004 0.000 0.279 19 K C -0.331 176.272 176.600 0.006 0.000 1.001 19 K CA 0.349 56.639 56.287 0.004 0.000 1.088 19 K CB 0.039 32.541 32.500 0.004 0.000 0.863 19 K HN -0.264 7.988 8.250 0.004 0.000 0.488 20 E N 3.087 123.291 120.200 0.006 0.000 2.366 20 E HA -0.045 4.311 4.350 0.009 0.000 0.266 20 E C 0.241 176.846 176.600 0.007 0.000 1.051 20 E CA 0.492 56.896 56.400 0.008 0.000 0.884 20 E CB 0.895 30.600 29.700 0.008 0.000 1.006 20 E HN 0.001 8.365 8.360 0.005 0.000 0.417 21 T N -0.988 113.571 114.554 0.008 0.000 3.056 21 T HA 0.068 4.421 4.350 0.005 0.000 0.241 21 T C -0.356 174.348 174.700 0.007 0.000 1.006 21 T CA -0.001 62.103 62.100 0.007 0.000 1.115 21 T CB 0.551 69.423 68.868 0.006 0.000 0.939 21 T HN 0.242 8.488 8.240 0.010 0.000 0.462 22 A N 0.713 123.539 122.820 0.010 0.000 1.554 22 A HA 0.099 4.425 4.320 0.010 0.000 0.198 22 A C -1.040 176.554 177.584 0.017 0.000 1.649 22 A CA 0.229 52.273 52.037 0.011 0.000 1.362 22 A CB 0.276 19.281 19.000 0.007 0.000 1.254 22 A HN -0.138 8.019 8.150 0.012 0.000 0.492 23 A N -1.783 121.050 122.820 0.021 0.000 3.938 23 A HA -0.273 4.070 4.320 0.038 0.000 0.617 23 A C -1.544 176.066 177.584 0.042 0.000 0.745 23 A CA 0.749 52.807 52.037 0.034 0.000 0.311 23 A CB -0.902 18.118 19.000 0.032 0.000 3.551 23 A HN 0.049 8.209 8.150 0.018 0.000 0.519 24 A N 0.091 122.955 122.820 0.072 0.000 2.552 24 A HA 0.066 4.426 4.320 0.067 0.000 0.288 24 A C -1.883 175.797 177.584 0.160 0.000 1.193 24 A CA -0.370 51.725 52.037 0.097 0.000 0.713 24 A CB 1.689 20.734 19.000 0.075 0.000 1.305 24 A HN -0.002 8.200 8.150 0.088 0.000 0.424 25 K N -1.532 118.992 120.400 0.207 0.000 2.525 25 K HA 0.812 5.244 4.320 0.187 0.000 0.254 25 K C -1.400 175.407 176.600 0.345 0.000 0.934 25 K CA -0.378 56.035 56.287 0.209 0.000 0.802 25 K CB 1.957 34.510 32.500 0.087 0.000 1.295 25 K HN 0.746 9.102 8.250 0.178 0.000 0.433 26 F N -1.939 118.008 119.950 -0.005 0.000 2.878 26 F HA 0.227 4.752 4.527 -0.004 0.000 0.322 26 F C -1.945 173.852 175.800 -0.004 0.000 1.154 26 F CA -0.417 57.581 58.000 -0.004 0.000 0.896 26 F CB 0.695 39.694 39.000 -0.002 0.000 1.313 26 F HN -0.014 8.253 8.300 -0.055 0.000 0.451 27 E N 0.194 120.363 120.200 -0.052 0.000 8.976 27 E HA -0.285 4.062 4.350 -0.005 0.000 0.525 27 E C -1.486 175.039 176.600 -0.126 0.000 1.411 27 E CA 0.025 56.331 56.400 -0.156 0.000 2.514 27 E CB 0.091 29.518 29.700 -0.455 0.000 1.008 27 E HN 0.364 8.826 8.360 0.170 0.000 0.264 28 R N 0.085 120.527 120.500 -0.097 0.000 2.448 28 R HA -0.263 4.039 4.340 -0.064 0.000 0.336 28 R C -1.324 174.941 176.300 -0.058 0.000 1.038 28 R CA 0.788 56.840 56.100 -0.081 0.000 0.804 28 R CB -0.462 29.773 30.300 -0.108 0.000 2.350 28 R HN 0.270 8.490 8.270 -0.083 0.000 0.484 29 Q N 1.827 121.614 119.800 -0.023 0.000 2.606 29 Q HA 0.063 4.388 4.340 -0.025 0.000 0.215 29 Q C -0.073 175.936 176.000 0.014 0.000 0.908 29 Q CA 0.492 56.296 55.803 0.001 0.000 0.908 29 Q CB 1.750 30.515 28.738 0.045 0.000 1.120 29 Q HN 0.188 8.455 8.270 -0.004 0.000 0.628 30 H N -1.739 117.327 119.070 -0.006 0.000 2.988 30 H HA 0.234 4.785 4.556 -0.008 0.000 0.284 30 H C -1.847 173.478 175.328 -0.006 0.000 1.284 30 H CA -0.337 55.708 56.048 -0.006 0.000 1.431 30 H CB 1.758 31.519 29.762 -0.002 0.000 1.954 30 H HN -0.092 8.245 8.280 0.095 0.000 0.509 31 M N 1.948 121.693 119.600 0.242 0.000 2.307 31 M HA 0.339 4.860 4.480 0.068 0.000 0.279 31 M C -2.733 173.616 176.300 0.082 0.000 1.080 31 M CA -0.125 55.237 55.300 0.103 0.000 0.964 31 M CB 2.775 35.413 32.600 0.063 0.000 1.825 31 M HN 0.067 8.602 8.290 0.408 0.000 0.489 32 D N 1.767 122.182 120.400 0.026 0.000 2.755 32 D HA 0.569 5.222 4.640 0.021 0.000 0.277 32 D C -2.153 174.141 176.300 -0.009 0.000 1.261 32 D CA 0.056 54.061 54.000 0.008 0.000 0.759 32 D CB 2.428 43.223 40.800 -0.009 0.000 1.279 32 D HN 0.789 9.165 8.370 0.009 0.000 0.420 33 S N 0.143 115.838 115.700 -0.009 0.000 2.595 33 S HA 0.579 5.039 4.470 -0.016 0.000 0.281 33 S C -2.298 172.294 174.600 -0.014 0.000 1.117 33 S CA -1.318 56.875 58.200 -0.012 0.000 0.873 33 S CB 1.528 64.725 63.200 -0.006 0.000 1.108 33 S HN 0.234 8.542 8.310 -0.004 0.000 0.477 34 P HA 0.225 4.634 4.420 -0.017 0.000 0.318 34 P C -1.731 175.563 177.300 -0.010 0.000 1.309 34 P CA -0.442 62.648 63.100 -0.015 0.000 0.736 34 P CB 0.538 32.227 31.700 -0.017 0.000 1.440 35 D N -1.733 118.661 120.400 -0.010 0.000 2.646 35 D HA 0.204 4.840 4.640 -0.006 0.000 0.245 35 D C 0.530 176.826 176.300 -0.006 0.000 1.099 35 D CA -0.498 53.498 54.000 -0.007 0.000 0.849 35 D CB 0.979 41.776 40.800 -0.006 0.000 1.448 35 D HN -0.152 8.211 8.370 -0.011 0.000 0.489 36 L N 2.477 123.697 121.223 -0.005 0.000 1.950 36 L HA -0.124 4.213 4.340 -0.005 0.000 0.210 36 L C 1.406 178.274 176.870 -0.002 0.000 1.079 36 L CA 0.366 55.203 54.840 -0.004 0.000 0.754 36 L CB 0.058 42.115 42.059 -0.003 0.000 0.889 36 L HN 0.305 8.533 8.230 -0.004 0.000 0.433 37 G N -2.319 106.480 108.800 -0.001 0.000 2.292 37 G HA2 -0.292 3.669 3.960 0.002 0.000 0.221 37 G HA3 -0.292 3.669 3.960 0.001 0.000 0.221 37 G C -0.857 174.045 174.900 0.003 0.000 0.657 37 G CA -0.212 44.889 45.100 0.001 0.000 1.036 37 G HN -0.043 8.247 8.290 -0.001 0.000 0.309 38 T N -2.686 111.870 114.554 0.003 0.000 0.664 38 T HA -0.516 3.835 4.350 0.001 0.000 0.760 38 T C 0.289 174.989 174.700 0.000 0.000 0.985 38 T CA 0.932 63.033 62.100 0.003 0.000 3.980 38 T CB -0.066 68.806 68.868 0.007 0.000 2.256 38 T HN -0.238 8.004 8.240 0.003 0.000 0.402 39 T N 4.037 118.591 114.554 -0.001 0.000 4.313 39 T HA -0.017 4.330 4.350 -0.006 0.000 0.272 39 T C -0.073 174.628 174.700 0.000 0.000 1.298 39 T CA 1.099 63.196 62.100 -0.005 0.000 1.124 39 T CB -1.461 67.400 68.868 -0.012 0.000 1.352 39 T HN 0.228 8.468 8.240 -0.000 0.000 1.013 40 L N -0.300 120.924 121.223 0.002 0.000 7.382 40 L HA -0.375 3.966 4.340 0.002 0.000 0.055 40 L C -1.026 175.852 176.870 0.013 0.000 1.434 40 L CA 1.712 56.555 54.840 0.005 0.000 1.563 40 L CB -1.672 40.388 42.059 0.003 0.000 2.813 40 L HN -0.013 8.168 8.230 -0.000 0.049 1.135 41 L N -4.077 117.158 121.223 0.020 0.000 2.848 41 L HA 0.294 4.655 4.340 0.035 0.000 0.240 41 L C -0.782 176.120 176.870 0.055 0.000 1.232 41 L CA -0.439 54.422 54.840 0.035 0.000 1.031 41 L CB 0.475 42.553 42.059 0.033 0.000 1.338 41 L HN -0.265 7.976 8.230 0.017 0.000 0.509 42 E N -1.142 119.083 120.200 0.041 0.000 2.222 42 E HA -0.414 3.946 4.350 0.017 0.000 0.189 42 E C -0.813 175.847 176.600 0.101 0.000 1.415 42 E CA 0.958 57.385 56.400 0.045 0.000 0.689 42 E CB -2.219 27.505 29.700 0.040 0.000 1.107 42 E HN -0.648 7.642 8.360 0.025 0.085 0.350 43 Q N -3.101 116.752 119.800 0.089 0.000 2.858 43 Q HA -0.340 4.054 4.340 0.091 0.000 0.326 43 Q C -0.772 175.385 176.000 0.262 0.000 1.176 43 Q CA 0.941 56.813 55.803 0.115 0.000 1.124 43 Q CB -1.342 27.436 28.738 0.067 0.000 1.044 43 Q HN -0.028 8.275 8.270 0.055 0.000 0.423 44 Y N 4.893 125.197 120.300 0.006 0.000 2.554 44 Y HA -0.141 4.403 4.550 -0.011 0.000 0.338 44 Y C -2.144 173.777 175.900 0.035 0.000 1.247 44 Y CA 0.503 58.605 58.100 0.004 0.000 1.255 44 Y CB 1.889 40.346 38.460 -0.006 0.000 1.346 44 Y HN -0.368 8.022 8.280 0.183 0.000 0.481 45 c N 1.672 120.197 118.600 -0.125 0.000 1.906 45 c HA -0.266 4.247 4.570 -0.096 0.000 0.251 45 c C -0.623 173.537 174.090 0.117 0.000 0.770 45 c CA -0.457 55.865 56.329 -0.011 0.000 3.086 45 c CB -1.543 41.012 42.510 0.075 0.000 1.757 45 c HN 0.578 8.529 8.230 -0.466 0.000 0.296 46 H N 2.487 121.546 119.070 -0.018 0.000 2.790 46 H HA -0.092 4.490 4.556 0.043 0.000 0.358 46 H C 0.168 175.544 175.328 0.079 0.000 1.103 46 H CA 0.318 56.385 56.048 0.031 0.000 1.426 46 H CB 1.094 30.865 29.762 0.016 0.000 1.424 46 H HN 0.319 8.672 8.280 0.123 0.000 0.599 47 R N 3.535 124.108 120.500 0.122 0.000 2.195 47 R HA 0.022 4.577 4.340 0.129 -0.138 0.197 47 R C 0.102 176.339 176.300 -0.105 0.000 0.990 47 R CA 0.288 56.431 56.100 0.072 0.000 1.048 47 R CB 0.207 30.622 30.300 0.193 0.000 0.997 47 R HN 0.191 8.615 8.270 0.255 0.000 0.502 48 T N 0.676 114.967 114.554 -0.438 0.000 3.708 48 T HA -0.412 3.654 4.350 -0.473 0.000 0.375 48 T C -0.331 174.278 174.700 -0.152 0.000 0.763 48 T CA 0.830 62.698 62.100 -0.387 0.000 1.915 48 T CB -1.128 67.544 68.868 -0.327 0.000 1.783 48 T HN -0.215 7.519 8.240 -0.844 0.000 0.734 49 T N -0.724 113.783 114.554 -0.078 0.000 3.193 49 T HA -0.191 4.092 4.350 -0.110 0.000 0.407 49 T C 0.170 174.797 174.700 -0.121 0.000 1.146 49 T CA 0.281 62.328 62.100 -0.089 0.000 1.085 49 T CB 1.010 69.859 68.868 -0.032 0.000 1.424 49 T HN -0.189 8.036 8.240 -0.030 -0.003 0.521 50 I N 0.358 120.832 120.570 -0.161 0.000 3.075 50 I HA -0.510 3.583 4.170 -0.128 0.000 0.320 50 I C 0.410 176.443 176.117 -0.140 0.000 1.211 50 I CA 1.401 62.614 61.300 -0.145 0.000 1.463 50 I CB 0.738 38.639 38.000 -0.165 0.000 1.308 50 I HN -0.140 7.931 8.210 -0.231 0.000 0.553 51 G N 7.293 116.013 108.800 -0.133 0.000 2.684 51 G HA2 -0.383 3.499 3.960 -0.130 0.000 0.358 51 G HA3 -0.383 3.469 3.960 -0.180 0.000 0.358 51 G C -0.732 174.042 174.900 -0.211 0.000 1.164 51 G CA 1.494 46.497 45.100 -0.161 0.000 0.935 51 G HN 0.323 8.547 8.290 -0.110 0.000 0.574 52 N N 0.946 119.426 118.700 -0.366 0.000 2.622 52 N HA 0.082 4.661 4.740 -0.269 0.000 0.213 52 N C -1.410 173.898 175.510 -0.336 0.000 1.037 52 N CA 1.191 53.920 53.050 -0.535 0.000 0.999 52 N CB 1.701 39.438 38.487 -1.250 0.000 1.342 52 N HN 0.056 8.184 8.380 -0.420 0.000 0.465 53 F N -6.734 113.224 119.950 0.013 0.000 2.654 53 F HA 0.379 4.920 4.527 0.023 0.000 0.314 53 F C -1.124 174.684 175.800 0.013 0.000 1.116 53 F CA -0.779 57.238 58.000 0.028 0.000 1.017 53 F CB 1.300 40.340 39.000 0.067 0.000 1.285 53 F HN -0.640 7.130 8.300 -0.883 0.000 0.448 54 S N 3.070 118.888 115.700 0.197 0.000 5.361 54 S HA 0.015 4.582 4.470 0.161 0.000 0.140 54 S C -0.019 174.627 174.600 0.077 0.000 1.100 54 S CA 1.040 59.310 58.200 0.117 0.000 1.373 54 S CB 1.761 64.982 63.200 0.035 0.000 1.803 54 S HN 0.569 8.991 8.310 0.187 0.000 0.495 55 G N 4.411 113.236 108.800 0.041 0.000 3.038 55 G HA2 -0.114 3.868 3.960 0.036 0.000 0.241 55 G HA3 -0.114 3.952 3.960 0.176 0.000 0.241 55 G C -1.084 173.790 174.900 -0.045 0.000 0.968 55 G CA -0.135 45.005 45.100 0.066 0.000 0.949 55 G HN 0.112 8.401 8.290 -0.002 0.000 0.394 56 P HA -0.093 4.285 4.420 -0.070 0.000 0.213 56 P C -0.292 176.971 177.300 -0.061 0.000 1.176 56 P CA 0.732 63.729 63.100 -0.171 0.000 0.894 56 P CB 0.559 32.130 31.700 -0.215 0.000 0.771 57 Y N -2.335 118.040 120.300 0.125 0.000 2.496 57 Y HA 0.431 5.034 4.550 0.089 0.000 0.325 57 Y C -1.086 174.961 175.900 0.244 0.000 1.271 57 Y CA -3.393 54.788 58.100 0.136 0.000 1.368 57 Y CB 0.310 38.825 38.460 0.091 0.000 1.415 57 Y HN -0.665 6.904 8.280 -1.186 0.000 0.527 58 T N 3.770 118.585 114.554 0.434 0.000 2.762 58 T HA 0.138 4.554 4.350 0.109 0.000 0.303 58 T C -1.257 173.633 174.700 0.316 0.000 0.977 58 T CA -0.144 62.099 62.100 0.237 0.000 0.961 58 T CB -0.170 68.751 68.868 0.089 0.000 0.944 58 T HN -0.059 8.396 8.240 0.359 0.000 0.481 59 Y N 3.292 123.699 120.300 0.179 0.000 2.659 59 Y HA 0.338 4.909 4.550 0.035 0.000 0.333 59 Y C -1.107 174.782 175.900 -0.019 0.000 1.064 59 Y CA -2.707 55.456 58.100 0.104 0.000 1.141 59 Y CB 0.876 39.496 38.460 0.267 0.000 1.316 59 Y HN -0.458 7.668 8.280 -0.256 0.000 0.509 60 c N -0.091 118.484 118.600 -0.042 0.000 2.568 60 c HA -0.205 4.326 4.570 -0.337 -0.164 0.401 60 c C 0.473 174.449 174.090 -0.190 0.000 1.338 60 c CA 1.012 57.179 56.329 -0.270 0.000 1.721 60 c CB -1.157 41.007 42.510 -0.577 0.000 2.624 60 c HN 0.125 8.366 8.230 0.018 0.000 0.614 61 N N 2.391 121.007 118.700 -0.140 0.000 2.525 61 N HA 0.338 5.298 4.740 -0.112 -0.287 0.288 61 N C -1.296 174.341 175.510 0.212 0.000 1.242 61 N CA -1.182 51.851 53.050 -0.027 0.000 0.905 61 N CB 3.539 41.998 38.487 -0.045 0.000 1.258 61 N HN 0.312 8.594 8.380 -0.164 0.000 0.551 62 T N 1.094 115.774 114.554 0.210 0.000 2.780 62 T HA 0.552 5.407 4.350 0.422 -0.252 0.294 62 T C -0.926 173.926 174.700 0.252 0.000 0.949 62 T CA 0.064 62.339 62.100 0.291 0.000 1.074 62 T CB 0.682 69.690 68.868 0.233 0.000 0.910 62 T HN 0.135 8.454 8.240 0.132 0.000 0.501 63 T N 5.539 120.269 114.554 0.294 0.000 2.831 63 T HA 0.265 4.706 4.350 0.152 0.000 0.333 63 T C -1.972 172.825 174.700 0.163 0.000 1.684 63 T CA -0.761 61.461 62.100 0.203 0.000 1.049 63 T CB 2.149 71.140 68.868 0.205 0.000 1.518 63 T HN -0.365 8.096 8.240 0.369 0.000 0.491 64 L N 0.296 121.574 121.223 0.091 0.000 2.334 64 L HA 0.849 5.382 4.340 0.048 -0.165 0.275 64 L C -1.310 175.587 176.870 0.044 0.000 1.036 64 L CA -1.681 53.186 54.840 0.045 0.000 0.807 64 L CB 1.972 44.028 42.059 -0.005 0.000 1.231 64 L HN 0.306 8.580 8.230 0.074 0.000 0.438 65 D N 0.811 121.232 120.400 0.036 0.000 2.538 65 D HA 0.141 4.805 4.640 0.041 0.000 0.262 65 D C -0.283 176.032 176.300 0.024 0.000 1.186 65 D CA -1.235 52.786 54.000 0.035 0.000 1.090 65 D CB 1.898 42.720 40.800 0.035 0.000 1.187 65 D HN -0.192 8.199 8.370 0.035 0.000 0.614 66 Q N -0.494 119.322 119.800 0.027 0.000 2.425 66 Q HA -0.064 4.282 4.340 0.010 0.000 0.204 66 Q C 0.308 176.321 176.000 0.022 0.000 0.933 66 Q CA 1.940 57.754 55.803 0.018 0.000 0.939 66 Q CB 0.294 29.042 28.738 0.015 0.000 1.044 66 Q HN 0.422 8.710 8.270 0.030 0.000 0.513 67 I N -1.394 119.203 120.570 0.046 0.000 3.801 67 I HA 0.183 4.378 4.170 0.043 0.000 0.338 67 I C -0.388 175.748 176.117 0.032 0.000 1.513 67 I CA -1.117 60.225 61.300 0.070 0.000 1.197 67 I CB -1.560 36.535 38.000 0.159 0.000 1.300 67 I HN -0.574 7.619 8.210 0.059 0.052 0.433 68 G N 1.488 110.281 108.800 -0.011 0.000 2.451 68 G HA2 -0.452 3.475 3.960 -0.054 0.000 0.296 68 G HA3 -0.452 3.471 3.960 -0.062 0.000 0.296 68 G C -1.029 173.804 174.900 -0.111 0.000 0.922 68 G CA 1.044 46.110 45.100 -0.056 0.000 1.074 68 G HN -0.087 8.118 8.290 -0.005 0.082 0.509 69 T N -0.986 113.507 114.554 -0.103 0.000 2.833 69 T HA 0.136 4.270 4.350 -0.361 0.000 0.297 69 T C -1.278 173.316 174.700 -0.178 0.000 1.015 69 T CA -1.340 60.603 62.100 -0.262 0.000 0.963 69 T CB 1.694 70.368 68.868 -0.324 0.000 0.955 69 T HN -0.710 7.514 8.240 -0.028 0.000 0.449 70 c N 9.019 127.500 118.600 -0.198 0.000 2.203 70 c HA 0.578 5.337 4.570 0.052 -0.158 0.325 70 c C -0.680 173.366 174.090 -0.073 0.000 1.156 70 c CA -2.967 53.343 56.329 -0.032 0.000 1.597 70 c CB -1.221 41.334 42.510 0.075 0.000 2.148 70 c HN 0.691 8.780 8.230 -0.237 0.000 0.472 71 W N 9.029 130.285 121.300 -0.072 0.000 2.304 71 W HA 0.255 4.904 4.660 -0.018 0.000 0.313 71 W C -1.639 175.008 176.519 0.214 0.000 1.323 71 W CA -2.783 54.577 57.345 0.026 0.000 1.223 71 W CB 0.810 30.197 29.460 -0.122 0.000 1.237 71 W HN 0.056 8.435 8.180 0.331 0.000 0.535 72 P HA -0.135 4.445 4.420 0.267 0.000 0.237 72 P C -0.944 176.575 177.300 0.364 0.000 1.788 72 P CA -0.720 62.554 63.100 0.291 0.000 1.061 72 P CB -1.124 30.684 31.700 0.180 0.000 1.967 73 Q N -0.871 119.181 119.800 0.421 0.000 2.069 73 Q HA -0.424 4.165 4.340 0.331 -0.051 0.056 73 Q C -1.694 174.547 176.000 0.401 0.000 1.379 73 Q CA 1.835 57.864 55.803 0.378 0.000 0.204 73 Q CB -0.197 28.756 28.738 0.359 0.000 4.410 73 Q HN 0.243 8.745 8.270 0.441 0.033 0.306 74 S N -1.817 114.048 115.700 0.276 0.000 2.636 74 S HA 0.153 4.754 4.470 0.217 0.000 0.266 74 S C -2.261 172.418 174.600 0.133 0.000 1.147 74 S CA -0.436 57.852 58.200 0.147 0.000 0.815 74 S CB 3.002 66.153 63.200 -0.082 0.000 1.119 74 S HN -0.001 8.378 8.310 0.287 0.103 0.470 75 A N 0.637 123.478 122.820 0.035 0.000 2.304 75 A HA 0.322 4.735 4.320 0.154 0.000 0.301 75 A C -2.194 175.339 177.584 -0.084 0.000 1.132 75 A CA -2.817 49.235 52.037 0.024 0.000 0.819 75 A CB -0.606 18.381 19.000 -0.021 0.000 1.094 75 A HN 0.140 8.298 8.150 0.014 0.000 0.492 76 P HA -0.061 4.329 4.420 -0.161 -0.066 0.277 76 P C 0.146 177.382 177.300 -0.108 0.000 1.240 76 P CA -0.351 62.682 63.100 -0.112 0.000 0.798 76 P CB 0.532 32.187 31.700 -0.075 0.000 0.979 77 G N 0.548 109.287 108.800 -0.102 0.000 2.244 77 G HA2 -0.460 3.551 3.960 -0.063 0.000 0.274 77 G HA3 -0.460 3.459 3.960 -0.069 0.000 0.274 77 G C -0.538 174.324 174.900 -0.064 0.000 1.002 77 G CA 0.708 45.764 45.100 -0.074 0.000 0.740 77 G HN -0.061 7.945 8.290 -0.112 0.216 0.516 78 A N -0.259 122.516 122.820 -0.075 0.000 3.033 78 A HA 0.034 4.332 4.320 -0.037 0.000 0.223 78 A C -1.610 175.964 177.584 -0.017 0.000 1.797 78 A CA -0.657 51.352 52.037 -0.046 0.000 0.856 78 A CB 1.622 20.593 19.000 -0.047 0.000 1.798 78 A HN -0.518 7.518 8.150 -0.107 0.049 0.629 79 L N -1.362 119.871 121.223 0.017 0.000 2.666 79 L HA 0.189 4.565 4.340 0.061 0.000 0.258 79 L C -1.155 175.778 176.870 0.104 0.000 0.991 79 L CA 0.612 55.487 54.840 0.059 0.000 0.916 79 L CB 2.155 44.247 42.059 0.054 0.000 1.199 79 L HN 0.100 8.345 8.230 0.024 0.000 0.439 80 V N 5.942 125.934 119.914 0.130 0.000 2.135 80 V HA -0.072 4.184 4.120 0.227 0.000 0.287 80 V C -1.191 175.017 176.094 0.191 0.000 1.607 80 V CA -0.202 62.213 62.300 0.192 0.000 1.585 80 V CB -1.701 30.273 31.823 0.251 0.000 1.470 80 V HN 0.400 8.661 8.190 0.119 0.000 0.513 81 E N 1.644 121.970 120.200 0.210 0.000 2.231 81 E HA 0.168 4.696 4.350 0.258 -0.023 0.277 81 E C -0.694 176.060 176.600 0.256 0.000 0.999 81 E CA -1.084 55.463 56.400 0.245 0.000 0.827 81 E CB 1.632 31.472 29.700 0.232 0.000 1.101 81 E HN -0.595 7.815 8.360 0.179 0.058 0.393 82 R N 0.590 121.256 120.500 0.277 0.000 2.738 82 R HA 0.382 4.840 4.340 0.196 0.000 0.280 82 R C -2.378 174.032 176.300 0.184 0.000 1.456 82 R CA -3.014 53.225 56.100 0.233 0.000 1.612 82 R CB 0.292 30.756 30.300 0.274 0.000 1.286 82 R HN 0.372 8.715 8.270 0.288 0.100 0.660 83 P HA 0.060 4.569 4.420 0.149 0.000 0.276 83 P C -1.093 176.281 177.300 0.123 0.000 1.261 83 P CA -0.653 62.533 63.100 0.143 0.000 0.800 83 P CB 0.860 32.638 31.700 0.130 0.000 1.066 84 c N -2.833 115.850 118.600 0.138 0.000 2.437 84 c HA 0.410 5.087 4.570 0.177 0.000 0.307 84 c C -2.247 172.065 174.090 0.371 0.000 1.093 84 c CA -4.646 51.807 56.329 0.206 0.000 1.463 84 c CB -0.648 41.923 42.510 0.101 0.000 1.926 84 c HN 0.077 8.390 8.230 0.139 0.000 0.420 85 P HA 0.038 4.514 4.420 0.093 0.000 0.293 85 P C -0.681 176.770 177.300 0.252 0.000 1.298 85 P CA -0.817 62.355 63.100 0.121 0.000 0.757 85 P CB 0.695 32.331 31.700 -0.106 0.000 1.262 86 E N -0.476 119.879 120.200 0.257 0.000 2.537 86 E HA -0.359 3.970 4.350 0.002 0.022 0.269 86 E C -0.572 175.991 176.600 -0.061 0.000 1.038 86 E CA 0.695 57.167 56.400 0.120 0.000 0.977 86 E CB -0.471 29.368 29.700 0.231 0.000 0.973 86 E HN 0.008 8.514 8.360 0.243 0.000 0.456 87 Y N 1.616 121.636 120.300 -0.466 0.000 2.905 87 Y HA -0.323 3.970 4.550 -0.429 0.000 0.159 87 Y C -1.689 174.090 175.900 -0.201 0.000 1.680 87 Y CA 1.252 59.139 58.100 -0.354 0.000 0.983 87 Y CB -1.742 36.634 38.460 -0.139 0.000 1.567 87 Y HN 0.294 8.348 8.280 -0.377 0.000 0.337 88 F N -0.144 119.671 119.950 -0.224 0.000 2.746 88 F HA 0.251 4.562 4.527 -0.359 0.000 0.320 88 F C -1.147 174.501 175.800 -0.253 0.000 1.097 88 F CA -1.204 56.645 58.000 -0.253 0.000 1.195 88 F CB 0.506 39.468 39.000 -0.063 0.000 1.056 88 F HN -0.434 7.182 8.300 -1.141 0.000 0.562 89 N N -4.100 114.704 118.700 0.172 0.000 2.461 89 N HA -0.099 4.622 4.740 -0.033 0.000 0.332 89 N C -1.187 174.423 175.510 0.168 0.000 1.574 89 N CA 1.002 54.125 53.050 0.122 0.000 3.096 89 N CB -0.570 38.003 38.487 0.143 0.000 1.662 89 N HN -0.086 8.280 8.380 -0.023 0.000 1.135 90 G N -0.383 108.588 108.800 0.284 0.000 3.385 90 G HA2 0.088 4.122 3.960 0.123 0.000 0.179 90 G HA3 0.088 4.215 3.960 0.278 0.000 0.179 90 G C -1.662 173.269 174.900 0.052 0.000 1.433 90 G CA -0.660 44.561 45.100 0.201 0.000 1.086 90 G HN -0.540 8.027 8.290 0.462 0.000 0.763 91 I N 0.158 120.811 120.570 0.139 0.000 3.418 91 I HA 0.069 4.203 4.170 -0.059 0.000 0.279 91 I C -1.071 174.754 176.117 -0.488 0.000 1.143 91 I CA -2.278 59.000 61.300 -0.036 0.000 0.983 91 I CB 2.485 40.546 38.000 0.102 0.000 1.558 91 I HN -0.096 8.339 8.210 0.375 0.000 0.766 92 K N 0.706 120.939 120.400 -0.278 0.000 2.386 92 K HA -0.116 3.982 4.320 -0.534 -0.099 0.249 92 K C -1.380 175.203 176.600 -0.028 0.000 1.055 92 K CA -0.443 55.662 56.287 -0.303 0.000 0.930 92 K CB 0.459 32.884 32.500 -0.125 0.000 1.230 92 K HN -0.175 8.001 8.250 -0.125 0.000 0.507 93 Y N -2.216 118.122 120.300 0.062 0.000 2.452 93 Y HA 0.061 4.955 4.550 0.573 0.000 0.348 93 Y C -1.362 174.634 175.900 0.160 0.000 0.985 93 Y CA 0.117 58.384 58.100 0.279 0.000 1.214 93 Y CB -0.446 38.140 38.460 0.210 0.000 1.136 93 Y HN -0.011 8.495 8.280 0.376 0.000 0.523 94 N N 5.441 124.189 118.700 0.079 0.000 2.529 94 N HA 0.070 4.680 4.740 -0.217 0.000 0.231 94 N C -0.134 175.406 175.510 0.051 0.000 1.072 94 N CA 0.144 53.168 53.050 -0.044 0.000 0.854 94 N CB 1.538 40.012 38.487 -0.023 0.000 1.465 94 N HN 0.533 9.055 8.380 0.237 0.000 0.452 95 T N 0.922 115.533 114.554 0.095 0.000 4.293 95 T HA 0.086 4.490 4.350 0.089 0.000 0.201 95 T C -1.360 173.361 174.700 0.035 0.000 0.848 95 T CA 0.610 62.748 62.100 0.064 0.000 1.494 95 T CB -0.342 68.539 68.868 0.021 0.000 0.788 95 T HN -0.525 7.791 8.240 0.127 0.000 0.598 96 T N 2.538 117.135 114.554 0.072 0.000 3.324 96 T HA 0.083 4.470 4.350 -0.045 -0.064 0.250 96 T C 0.188 174.897 174.700 0.015 0.000 1.059 96 T CA -1.042 61.060 62.100 0.003 0.000 0.951 96 T CB -0.206 68.633 68.868 -0.048 0.000 1.030 96 T HN 0.124 8.454 8.240 0.149 0.000 0.576 97 R N -0.857 119.647 120.500 0.006 0.000 3.127 97 R HA -0.442 3.929 4.340 0.052 0.000 0.247 97 R C -1.757 174.623 176.300 0.133 0.000 0.896 97 R CA 0.502 56.613 56.100 0.019 0.000 0.624 97 R CB -1.457 28.727 30.300 -0.193 0.000 1.154 97 R HN 0.224 8.400 8.270 0.014 0.102 0.474 98 N N -4.197 114.618 118.700 0.192 0.000 2.121 98 N HA -0.274 4.574 4.740 0.181 0.000 0.260 98 N C -0.483 175.233 175.510 0.344 0.000 1.229 98 N CA 0.996 54.193 53.050 0.245 0.000 0.830 98 N CB 0.049 38.668 38.487 0.219 0.000 1.073 98 N HN -0.313 8.169 8.380 0.170 0.000 0.465 99 A N 1.555 124.530 122.820 0.258 0.000 2.304 99 A HA 0.060 4.300 4.320 -0.133 0.000 0.301 99 A C -1.786 175.991 177.584 0.322 0.000 1.132 99 A CA -0.468 51.644 52.037 0.125 0.000 0.819 99 A CB 1.791 20.869 19.000 0.130 0.000 1.094 99 A HN 0.020 8.379 8.150 0.221 -0.077 0.492 100 Y N -4.739 115.585 120.300 0.039 0.000 2.365 100 Y HA -0.065 4.514 4.550 0.048 0.000 0.324 100 Y C -2.613 173.279 175.900 -0.014 0.000 1.330 100 Y CA -0.947 57.169 58.100 0.027 0.000 1.271 100 Y CB 1.040 39.514 38.460 0.025 0.000 1.306 100 Y HN -0.505 7.523 8.280 -0.421 0.000 0.451 101 R N 3.719 124.247 120.500 0.046 0.000 2.655 101 R HA 0.262 4.609 4.340 0.011 0.000 0.261 101 R C -0.846 175.537 176.300 0.138 0.000 1.624 101 R CA -0.760 55.352 56.100 0.020 0.000 1.655 101 R CB 1.280 31.469 30.300 -0.184 0.000 1.356 101 R HN 0.191 8.512 8.270 0.084 0.000 0.684 102 E N -0.886 119.393 120.200 0.132 0.000 2.966 102 E HA -0.271 4.241 4.350 0.057 -0.128 0.254 102 E C -1.230 175.382 176.600 0.020 0.000 0.923 102 E CA 0.487 56.930 56.400 0.071 0.000 0.960 102 E CB -0.921 28.818 29.700 0.066 0.000 0.901 102 E HN -0.365 8.106 8.360 0.186 0.000 0.525 103 c N 5.454 124.010 118.600 -0.074 0.000 2.394 103 c HA 0.097 4.675 4.570 -0.212 -0.136 0.362 103 c C -0.151 173.860 174.090 -0.131 0.000 1.268 103 c CA 0.523 56.729 56.329 -0.206 0.000 1.828 103 c CB -0.635 41.630 42.510 -0.407 0.000 2.442 103 c HN 0.007 8.193 8.230 -0.072 0.000 0.549 104 L N 6.337 127.495 121.223 -0.108 0.000 2.483 104 L HA -0.162 4.149 4.340 -0.048 0.000 0.277 104 L C 1.507 178.328 176.870 -0.083 0.000 1.248 104 L CA 1.012 55.810 54.840 -0.070 0.000 0.825 104 L CB 0.965 42.996 42.059 -0.047 0.000 1.096 104 L HN 0.065 8.230 8.230 -0.109 0.000 0.512 105 E N 0.957 121.122 120.200 -0.058 0.000 2.511 105 E HA -0.240 4.069 4.350 -0.068 0.000 0.196 105 E C 0.250 176.820 176.600 -0.050 0.000 1.066 105 E CA 1.975 58.341 56.400 -0.056 0.000 0.871 105 E CB -0.165 29.510 29.700 -0.043 0.000 0.863 105 E HN 0.415 8.748 8.360 -0.044 0.000 0.520 106 N N -2.471 116.197 118.700 -0.053 0.000 2.280 106 N HA 0.038 4.758 4.740 -0.032 0.000 0.192 106 N C -0.173 175.299 175.510 -0.063 0.000 1.109 106 N CA 0.244 53.267 53.050 -0.045 0.000 0.855 106 N CB 0.946 39.412 38.487 -0.035 0.000 0.974 106 N HN -0.221 8.038 8.380 -0.059 0.085 0.482 107 G N 1.033 109.775 108.800 -0.096 0.000 2.204 107 G HA2 -0.332 3.533 3.960 -0.158 0.000 0.244 107 G HA3 -0.332 3.567 3.960 -0.101 0.000 0.244 107 G C -1.007 173.768 174.900 -0.209 0.000 1.062 107 G CA 0.352 45.369 45.100 -0.139 0.000 0.798 107 G HN -0.234 7.828 8.290 -0.101 0.167 0.496 108 T N -3.721 110.708 114.554 -0.207 0.000 2.926 108 T HA 0.317 4.545 4.350 -0.204 0.000 0.289 108 T C -1.391 173.157 174.700 -0.254 0.000 1.054 108 T CA -2.636 59.353 62.100 -0.185 0.000 1.015 108 T CB 2.312 71.147 68.868 -0.056 0.000 1.167 108 T HN -0.793 7.344 8.240 -0.170 0.000 0.526 109 W N -0.886 120.384 121.300 -0.050 0.000 1.998 109 W HA 0.048 4.631 4.660 -0.129 0.000 0.441 109 W C 0.698 177.172 176.519 -0.074 0.000 1.859 109 W CA -0.521 56.767 57.345 -0.096 0.000 2.071 109 W CB 1.080 30.470 29.460 -0.117 0.000 1.474 109 W HN 0.006 8.277 8.180 0.151 0.000 0.734 110 A N -1.096 121.878 122.820 0.255 0.000 3.516 110 A HA 0.111 4.486 4.320 0.093 0.000 0.164 110 A C -1.032 176.600 177.584 0.080 0.000 1.887 110 A CA -0.411 51.695 52.037 0.116 0.000 0.978 110 A CB 1.428 20.478 19.000 0.083 0.000 1.863 110 A HN 0.095 8.441 8.150 0.327 0.000 0.697 111 S N -2.168 113.554 115.700 0.037 0.000 2.931 111 S HA 0.019 4.508 4.470 0.033 0.000 0.251 111 S C -0.482 174.110 174.600 -0.014 0.000 1.078 111 S CA 0.651 58.863 58.200 0.020 0.000 0.835 111 S CB 0.899 64.113 63.200 0.023 0.000 0.798 111 S HN 0.158 8.485 8.310 0.028 0.000 0.495 112 R N 1.601 122.074 120.500 -0.044 0.000 2.310 112 R HA 0.199 4.492 4.340 -0.077 0.000 0.324 112 R C -2.211 173.961 176.300 -0.214 0.000 0.955 112 R CA -1.119 54.919 56.100 -0.103 0.000 0.830 112 R CB 0.639 30.884 30.300 -0.093 0.000 1.154 112 R HN -0.198 8.054 8.270 -0.030 0.000 0.458 113 V N 3.079 122.866 119.914 -0.212 0.000 2.994 113 V HA 0.137 4.040 4.120 -0.361 0.000 0.318 113 V C -1.917 173.870 176.094 -0.512 0.000 1.085 113 V CA -2.245 59.883 62.300 -0.286 0.000 0.998 113 V CB 2.715 34.497 31.823 -0.068 0.000 1.063 113 V HN 0.191 8.294 8.190 -0.144 0.000 0.447 114 N N 1.671 119.940 118.700 -0.719 0.000 3.020 114 N HA 0.129 3.975 4.740 -1.491 0.000 0.248 114 N C -1.812 173.103 175.510 -0.992 0.000 1.480 114 N CA -0.864 51.550 53.050 -1.059 0.000 0.874 114 N CB 3.154 41.386 38.487 -0.423 0.000 1.433 114 N HN -0.013 8.115 8.380 -0.419 0.000 0.530 115 Y N -5.222 115.094 120.300 0.026 0.000 3.122 115 Y HA 0.211 4.816 4.550 0.091 0.000 0.141 115 Y C 0.101 175.991 175.900 -0.017 0.000 0.952 115 Y CA 0.233 58.345 58.100 0.020 0.000 1.885 115 Y CB 0.263 38.681 38.460 -0.070 0.000 1.325 115 Y HN 0.212 8.193 8.280 -0.497 0.000 0.247 116 S N 3.099 118.906 115.700 0.179 0.000 2.407 116 S HA -0.233 4.257 4.470 0.033 0.000 0.192 116 S C 0.334 174.953 174.600 0.032 0.000 1.169 116 S CA 0.973 59.199 58.200 0.043 0.000 1.496 116 S CB 0.525 63.725 63.200 -0.001 0.000 0.918 116 S HN -0.161 8.365 8.310 0.359 0.000 0.388 117 H N -1.486 117.561 119.070 -0.039 0.000 2.845 117 H HA -0.076 4.444 4.556 -0.061 0.000 0.296 117 H C 0.221 175.471 175.328 -0.130 0.000 1.116 117 H CA 0.483 56.487 56.048 -0.073 0.000 1.162 117 H CB -0.790 28.927 29.762 -0.075 0.000 1.338 117 H HN 0.269 8.468 8.280 -0.134 0.000 0.370 118 c N -2.523 116.034 118.600 -0.071 0.000 2.735 118 c HA 0.235 4.583 4.570 -0.370 0.000 0.444 118 c C 1.439 175.386 174.090 -0.239 0.000 1.331 118 c CA 0.578 56.728 56.329 -0.298 0.000 2.225 118 c CB 0.329 42.581 42.510 -0.429 0.000 2.917 118 c HN 0.213 8.368 8.230 -0.055 0.043 0.567 119 E N -0.374 119.754 120.200 -0.121 0.000 2.086 119 E HA -0.156 4.149 4.350 -0.074 0.000 0.200 119 E C -0.855 175.718 176.600 -0.045 0.000 1.012 119 E CA 4.092 60.450 56.400 -0.070 0.000 0.812 119 E CB -1.544 28.131 29.700 -0.041 0.000 0.743 119 E HN 0.227 8.532 8.360 -0.091 0.000 0.453 120 P HA 0.011 4.432 4.420 0.001 0.000 0.228 120 P C -0.944 176.348 177.300 -0.013 0.000 1.748 120 P CA -0.554 62.544 63.100 -0.002 0.000 0.909 120 P CB -1.353 30.364 31.700 0.029 0.000 1.882 121 I N -1.407 119.150 120.570 -0.023 0.000 3.466 121 I HA 0.214 4.397 4.170 0.023 0.000 0.311 121 I C -1.486 174.676 176.117 0.074 0.000 1.155 121 I CA -1.925 59.382 61.300 0.011 0.000 0.959 121 I CB 2.987 40.944 38.000 -0.073 0.000 1.332 121 I HN -0.289 7.811 8.210 -0.026 0.094 0.483 122 L N -1.731 119.577 121.223 0.141 0.000 1.641 122 L HA -0.337 4.084 4.340 0.134 0.000 0.351 122 L C -1.493 175.420 176.870 0.072 0.000 1.082 122 L CA 1.346 56.265 54.840 0.132 0.000 1.226 122 L CB -0.361 41.798 42.059 0.167 0.000 0.561 122 L HN 0.219 8.558 8.230 0.181 0.000 0.249 123 D N -0.566 119.869 120.400 0.057 0.000 3.941 123 D HA 0.052 4.713 4.640 0.035 0.000 0.254 123 D C -2.005 174.312 176.300 0.028 0.000 1.536 123 D CA 0.001 54.023 54.000 0.037 0.000 0.788 123 D CB 0.430 41.248 40.800 0.030 0.000 1.432 123 D HN 0.060 8.466 8.370 0.060 0.000 0.733 124 D N -0.940 119.478 120.400 0.030 0.000 2.926 124 D HA -0.036 4.613 4.640 0.015 0.000 0.272 124 D C -2.024 174.287 176.300 0.019 0.000 1.172 124 D CA -0.248 53.762 54.000 0.018 0.000 0.731 124 D CB 1.633 42.438 40.800 0.008 0.000 1.282 124 D HN -0.479 7.916 8.370 0.041 0.000 0.430 125 K N 0.486 120.890 120.400 0.007 0.000 2.276 125 K HA 0.026 4.357 4.320 0.019 0.000 0.283 125 K C -0.469 176.127 176.600 -0.006 0.000 1.044 125 K CA -0.301 55.990 56.287 0.007 0.000 0.944 125 K CB 0.639 33.141 32.500 0.002 0.000 1.012 125 K HN 0.004 8.254 8.250 0.001 0.000 0.472 126 Q N 4.304 124.109 119.800 0.008 0.000 2.293 126 Q HA -0.042 4.287 4.340 -0.019 0.000 0.263 126 Q C -0.495 175.490 176.000 -0.025 0.000 1.002 126 Q CA 0.844 56.646 55.803 -0.002 0.000 0.910 126 Q CB 0.368 29.127 28.738 0.036 0.000 1.185 126 Q HN 0.249 8.534 8.270 0.025 0.000 0.401 127 R N 3.372 123.831 120.500 -0.068 0.000 2.725 127 R HA 0.219 4.520 4.340 -0.065 0.000 0.254 127 R C -2.117 174.078 176.300 -0.176 0.000 1.076 127 R CA -0.566 55.477 56.100 -0.095 0.000 0.940 127 R CB 0.848 31.095 30.300 -0.089 0.000 1.260 127 R HN 0.180 8.399 8.270 -0.085 0.000 0.466 128 K N 2.211 122.516 120.400 -0.158 0.000 2.267 128 K HA 0.304 4.417 4.320 -0.346 0.000 0.246 128 K C 0.013 176.513 176.600 -0.168 0.000 0.954 128 K CA -1.453 54.710 56.287 -0.206 0.000 0.824 128 K CB 1.607 34.050 32.500 -0.094 0.000 1.167 128 K HN 0.104 8.293 8.250 -0.102 0.000 0.431 129 Y N 0.708 120.988 120.300 -0.033 0.000 2.394 129 Y HA -0.038 4.483 4.550 -0.047 0.000 0.351 129 Y C -0.351 175.516 175.900 -0.055 0.000 1.272 129 Y CA 1.033 59.100 58.100 -0.055 0.000 1.508 129 Y CB 0.662 39.069 38.460 -0.087 0.000 1.369 129 Y HN 0.488 8.613 8.280 -0.259 0.000 0.639 130 D N -1.620 118.855 120.400 0.125 0.000 2.615 130 D HA 0.034 4.705 4.640 0.052 0.000 0.267 130 D C -1.699 174.608 176.300 0.012 0.000 1.236 130 D CA -0.362 53.669 54.000 0.051 0.000 0.839 130 D CB 1.239 42.065 40.800 0.043 0.000 1.380 130 D HN -0.034 8.424 8.370 0.147 0.000 0.433 131 L N 0.511 121.752 121.223 0.031 0.000 1.935 131 L HA -0.193 4.188 4.340 0.068 0.000 0.474 131 L C -1.612 175.300 176.870 0.070 0.000 1.002 131 L CA 0.666 55.536 54.840 0.051 0.000 1.232 131 L CB 0.228 42.315 42.059 0.046 0.000 1.316 131 L HN 0.015 8.271 8.230 0.043 0.000 0.686 132 H N 3.088 122.186 119.070 0.048 0.000 3.139 132 H HA 0.138 4.734 4.556 0.066 0.000 0.322 132 H C -1.377 173.991 175.328 0.067 0.000 1.345 132 H CA -0.703 55.378 56.048 0.054 0.000 1.637 132 H CB 0.654 30.433 29.762 0.028 0.000 1.959 132 H HN 0.046 8.425 8.280 0.165 0.000 0.586 133 Y N 0.000 120.380 120.300 0.134 0.000 2.660 133 Y HA 0.000 4.575 4.550 0.041 0.000 0.201 133 Y CA 0.000 58.129 58.100 0.049 0.000 1.940 133 Y CB 0.000 38.485 38.460 0.041 0.000 1.050 133 Y HN 0.000 8.534 8.280 0.423 0.000 0.758