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 2zx1_1_A DATA FIRST_RESID 1 DATA SEQUENCE AISITcEGSD ALLQcDGAKI HIKRANYGRR QHDVcSIGRP DNQLTDTNcL DATA SEQUENCE SQSSTSKMAE RcGGKSEcIV PASNFVFGDP cVGTYKYLDT KYScVQQQET DATA SEQUENCE ISSIIcEGSD SQLLcDRGEI RIQRANYGRR QHDVcSIGRP HQQLKNTNcL DATA SEQUENCE SQSTTSKMAE RcDGKRQcIV KVSNSVFGDP cVGTYKYLDV AYTcD 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 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.380 177.584 -0.339 0.000 1.274 1 A CA 0.000 51.761 52.037 -0.461 0.000 0.836 1 A CB 0.000 18.561 19.000 -0.732 0.000 0.831 2 I N 1.318 121.817 120.570 -0.118 0.000 2.509 2 I HA 0.650 4.822 4.170 0.003 0.000 0.293 2 I C 0.263 176.439 176.117 0.099 0.000 1.020 2 I CA -0.377 60.933 61.300 0.016 0.000 1.088 2 I CB 1.665 39.670 38.000 0.009 0.000 1.267 2 I HN 0.672 8.882 8.210 -0.000 0.000 0.430 3 S N 7.241 123.042 115.700 0.167 0.000 2.552 3 S HA 0.672 5.143 4.470 0.003 0.000 0.314 3 S C -0.928 173.739 174.600 0.111 0.000 1.099 3 S CA -0.586 57.709 58.200 0.158 0.000 1.070 3 S CB 0.659 63.985 63.200 0.210 0.000 0.998 3 S HN 0.345 8.655 8.310 -0.000 0.000 0.474 4 I N 4.748 125.366 120.570 0.080 0.000 2.362 4 I HA 0.384 4.555 4.170 0.003 0.000 0.289 4 I C -0.201 175.958 176.117 0.070 0.000 0.994 4 I CA -0.344 60.995 61.300 0.065 0.000 1.158 4 I CB 1.220 39.221 38.000 0.002 0.000 1.315 4 I HN 0.563 8.773 8.210 -0.000 0.000 0.451 5 T N 4.802 119.419 114.554 0.105 0.000 2.881 5 T HA 0.327 4.679 4.350 0.003 0.000 0.291 5 T C -0.113 174.665 174.700 0.130 0.000 0.990 5 T CA -0.321 61.843 62.100 0.107 0.000 0.976 5 T CB 1.193 70.128 68.868 0.112 0.000 0.970 5 T HN 0.533 8.773 8.240 -0.000 0.000 0.438 6 c N 2.700 121.368 118.600 0.112 0.000 2.652 6 c HA 0.260 4.832 4.570 0.003 0.000 0.412 6 c C 1.306 175.438 174.090 0.070 0.000 1.294 6 c CA -0.742 55.652 56.329 0.108 0.000 2.127 6 c CB -0.486 42.148 42.510 0.208 0.000 2.691 6 c HN 0.910 9.140 8.230 -0.000 0.000 0.615 7 E N 0.683 120.800 120.200 -0.139 0.000 2.558 7 E HA 0.269 4.621 4.350 0.003 0.000 0.255 7 E C 1.222 177.894 176.600 0.120 0.000 0.968 7 E CA 1.121 57.495 56.400 -0.043 0.000 0.939 7 E CB -0.083 29.430 29.700 -0.310 0.000 0.921 7 E HN 1.045 9.405 8.360 -0.000 0.000 0.477 8 G N 2.810 111.694 108.800 0.140 0.000 2.238 8 G HA2 -0.255 3.707 3.960 0.003 0.000 0.217 8 G HA3 -0.255 3.707 3.960 0.003 0.000 0.217 8 G C 0.291 175.255 174.900 0.106 0.000 0.996 8 G CA 0.185 45.365 45.100 0.134 0.000 0.632 8 G HN 0.692 8.982 8.290 -0.000 0.000 0.503 9 S N -0.211 115.555 115.700 0.109 0.000 2.718 9 S HA 0.676 5.148 4.470 0.003 0.000 0.292 9 S C -1.139 173.509 174.600 0.080 0.000 1.125 9 S CA -0.238 58.015 58.200 0.087 0.000 1.013 9 S CB 1.332 64.585 63.200 0.089 0.000 1.192 9 S HN 0.219 8.529 8.310 -0.000 0.000 0.535 10 D N 0.894 121.333 120.400 0.066 0.000 2.350 10 D HA 0.564 5.206 4.640 0.003 0.000 0.245 10 D C -0.797 175.539 176.300 0.061 0.000 1.036 10 D CA -0.232 53.803 54.000 0.059 0.000 0.848 10 D CB 1.858 42.680 40.800 0.038 0.000 1.307 10 D HN 0.622 8.992 8.370 -0.000 0.000 0.469 11 A N 1.590 124.448 122.820 0.064 0.000 2.309 11 A HA 0.494 4.815 4.320 0.003 0.000 0.298 11 A C -0.706 176.893 177.584 0.025 0.000 1.165 11 A CA -0.433 51.638 52.037 0.056 0.000 0.821 11 A CB 0.495 19.537 19.000 0.070 0.000 1.102 11 A HN 0.383 8.533 8.150 -0.000 0.000 0.500 12 L N 3.813 125.050 121.223 0.024 0.000 2.353 12 L HA 0.587 4.929 4.340 0.003 0.000 0.270 12 L C -1.579 175.284 176.870 -0.013 0.000 1.003 12 L CA -0.330 54.513 54.840 0.005 0.000 0.862 12 L CB 0.982 43.057 42.059 0.025 0.000 1.221 12 L HN 0.494 8.724 8.230 -0.000 0.000 0.430 13 L N 4.729 125.882 121.223 -0.117 0.000 2.295 13 L HA 0.621 4.963 4.340 0.003 0.000 0.285 13 L C -0.208 176.579 176.870 -0.137 0.000 1.035 13 L CA 0.080 54.739 54.840 -0.302 0.000 0.806 13 L CB 1.631 43.245 42.059 -0.742 0.000 1.214 13 L HN 0.607 8.837 8.230 -0.000 0.000 0.426 14 Q N 2.306 122.136 119.800 0.050 0.000 2.305 14 Q HA 0.587 4.929 4.340 0.003 0.000 0.271 14 Q C -1.574 174.543 176.000 0.196 0.000 1.046 14 Q CA -0.473 55.390 55.803 0.101 0.000 0.798 14 Q CB 2.651 31.443 28.738 0.089 0.000 1.286 14 Q HN 0.574 8.844 8.270 -0.000 0.000 0.435 15 c N 1.976 120.653 118.600 0.128 0.000 2.455 15 c HA 0.223 4.795 4.570 0.003 0.000 0.321 15 c C -0.527 173.609 174.090 0.076 0.000 1.102 15 c CA -0.942 55.464 56.329 0.127 0.000 1.413 15 c CB 0.477 43.070 42.510 0.139 0.000 1.952 15 c HN 0.771 9.001 8.230 -0.000 0.000 0.428 16 D N 1.810 122.249 120.400 0.064 0.000 2.349 16 D HA 0.368 5.009 4.640 0.003 0.000 0.266 16 D C 1.361 177.685 176.300 0.039 0.000 1.293 16 D CA 1.791 55.818 54.000 0.045 0.000 0.926 16 D CB 0.233 41.056 40.800 0.039 0.000 1.090 16 D HN 1.028 9.398 8.370 -0.000 0.000 0.502 17 G N 2.525 111.345 108.800 0.035 0.000 2.168 17 G HA2 -0.049 3.913 3.960 0.003 0.000 0.257 17 G HA3 -0.049 3.913 3.960 0.003 0.000 0.257 17 G C 0.375 175.295 174.900 0.033 0.000 0.997 17 G CA 0.564 45.682 45.100 0.030 0.000 0.708 17 G HN 0.952 9.242 8.290 -0.000 0.000 0.520 18 A N -1.188 121.657 122.820 0.042 0.000 2.504 18 A HA 0.930 5.252 4.320 0.003 0.000 0.285 18 A C -0.272 177.345 177.584 0.055 0.000 1.261 18 A CA -0.571 51.494 52.037 0.047 0.000 0.741 18 A CB 1.245 20.278 19.000 0.054 0.000 1.327 18 A HN 0.353 8.503 8.150 -0.000 0.000 0.441 19 K N 0.338 120.776 120.400 0.064 0.000 2.324 19 K HA 0.557 4.879 4.320 0.003 0.000 0.253 19 K C -1.214 175.450 176.600 0.107 0.000 0.932 19 K CA -0.457 55.871 56.287 0.069 0.000 0.799 19 K CB 2.169 34.702 32.500 0.054 0.000 1.154 19 K HN 0.572 8.822 8.250 -0.000 0.000 0.425 20 I N 2.454 123.082 120.570 0.098 0.000 2.618 20 I HA -0.058 4.113 4.170 0.003 0.000 0.284 20 I C 0.088 176.302 176.117 0.163 0.000 1.146 20 I CA 0.342 61.719 61.300 0.129 0.000 1.425 20 I CB 0.015 38.008 38.000 -0.011 0.000 1.383 20 I HN 0.542 8.752 8.210 -0.000 0.000 0.562 21 H N 7.083 126.229 119.070 0.127 0.000 2.727 21 H HA 0.427 4.985 4.556 0.003 0.000 0.330 21 H C -0.869 174.538 175.328 0.130 0.000 0.986 21 H CA -0.765 55.340 56.048 0.095 0.000 1.251 21 H CB 0.799 30.605 29.762 0.073 0.000 1.493 21 H HN 0.327 8.607 8.280 -0.000 0.000 0.515 22 I N 5.856 126.154 120.570 -0.453 0.000 2.396 22 I HA 0.056 4.228 4.170 0.003 0.000 0.289 22 I C 1.100 176.946 176.117 -0.452 0.000 1.056 22 I CA 0.166 61.294 61.300 -0.287 0.000 1.365 22 I CB 1.193 39.101 38.000 -0.153 0.000 1.407 22 I HN 0.816 9.026 8.210 -0.000 0.000 0.509 23 K N 5.916 126.223 120.400 -0.154 0.000 2.168 23 K HA 0.107 4.428 4.320 0.003 0.000 0.201 23 K C 0.176 176.767 176.600 -0.015 0.000 1.049 23 K CA 0.637 56.896 56.287 -0.046 0.000 0.974 23 K CB 0.446 32.979 32.500 0.055 0.000 0.792 23 K HN 0.632 8.882 8.250 -0.000 0.000 0.463 24 R N -0.898 119.602 120.500 0.000 0.000 2.663 24 R HA 0.678 5.020 4.340 0.003 0.000 0.267 24 R C -1.918 174.393 176.300 0.018 0.000 1.038 24 R CA -1.011 55.094 56.100 0.009 0.000 0.886 24 R CB 1.633 31.943 30.300 0.017 0.000 1.249 24 R HN -0.028 8.242 8.270 -0.000 0.000 0.463 25 A N 1.531 124.355 122.820 0.007 0.000 2.517 25 A HA 0.654 4.975 4.320 0.003 0.000 0.297 25 A C -1.778 175.776 177.584 -0.050 0.000 1.050 25 A CA -0.780 51.253 52.037 -0.006 0.000 0.694 25 A CB 2.178 21.189 19.000 0.019 0.000 1.277 25 A HN 0.783 8.933 8.150 -0.000 0.000 0.400 26 N N 0.237 118.878 118.700 -0.099 0.000 2.454 26 N HA 0.464 5.205 4.740 0.003 0.000 0.291 26 N C -1.916 173.431 175.510 -0.271 0.000 1.079 26 N CA -0.243 52.710 53.050 -0.163 0.000 0.893 26 N CB 1.219 39.620 38.487 -0.143 0.000 1.512 26 N HN 0.622 9.002 8.380 -0.000 0.000 0.497 27 Y N 3.805 123.794 120.300 -0.519 0.000 2.385 27 Y HA 0.714 5.265 4.550 0.003 0.000 0.341 27 Y C 0.517 176.153 175.900 -0.441 0.000 0.965 27 Y CA 0.451 58.174 58.100 -0.628 0.000 1.180 27 Y CB 0.303 38.141 38.460 -1.036 0.000 1.139 27 Y HN 0.717 8.997 8.280 -0.000 0.000 0.502 28 G N 5.124 113.349 108.800 -0.958 0.000 2.564 28 G HA2 0.214 4.176 3.960 0.003 0.000 0.139 28 G HA3 0.214 4.176 3.960 0.003 0.000 0.139 28 G C -1.708 172.640 174.900 -0.921 0.000 1.147 28 G CA -1.014 43.597 45.100 -0.815 0.000 1.031 28 G HN 0.636 8.926 8.290 -0.000 0.000 0.482 29 R N 0.081 120.211 120.500 -0.616 0.000 2.515 29 R HA 0.654 4.995 4.340 0.003 0.000 0.278 29 R C -0.055 176.137 176.300 -0.180 0.000 1.107 29 R CA -0.573 55.248 56.100 -0.465 0.000 0.945 29 R CB 1.309 31.497 30.300 -0.187 0.000 1.219 29 R HN 0.536 8.806 8.270 -0.000 0.000 0.434 30 R N 1.746 122.242 120.500 -0.007 0.000 2.517 30 R HA 0.225 4.566 4.340 0.003 0.000 0.265 30 R C -0.237 176.129 176.300 0.110 0.000 0.921 30 R CA -0.027 56.100 56.100 0.045 0.000 1.054 30 R CB 1.369 31.691 30.300 0.036 0.000 1.340 30 R HN 0.534 8.804 8.270 -0.000 0.000 0.551 31 Q N -1.186 118.727 119.800 0.189 0.000 2.456 31 Q HA 0.170 4.512 4.340 0.003 0.000 0.283 31 Q C -0.415 175.681 176.000 0.159 0.000 1.084 31 Q CA -0.470 55.420 55.803 0.146 0.000 0.801 31 Q CB 2.385 31.184 28.738 0.102 0.000 1.434 31 Q HN 0.080 8.350 8.270 -0.000 0.000 0.419 32 H N 1.298 120.400 119.070 0.054 0.000 2.363 32 H HA -0.128 4.430 4.556 0.003 0.000 0.301 32 H C 1.238 176.585 175.328 0.032 0.000 1.074 32 H CA 2.648 58.725 56.048 0.048 0.000 1.354 32 H CB 0.505 30.284 29.762 0.028 0.000 1.397 32 H HN 0.752 9.032 8.280 -0.000 0.000 0.516 33 D N 0.585 121.012 120.400 0.046 0.000 2.149 33 D HA -0.088 4.554 4.640 0.003 0.000 0.201 33 D C 0.649 176.874 176.300 -0.126 0.000 0.972 33 D CA 0.440 54.426 54.000 -0.023 0.000 0.835 33 D CB -0.942 39.899 40.800 0.067 0.000 0.966 33 D HN 0.212 8.582 8.370 -0.000 0.000 0.476 34 V N 1.110 120.908 119.914 -0.193 0.000 2.599 34 V HA -0.047 4.075 4.120 0.003 0.000 0.300 34 V C 0.994 176.887 176.094 -0.335 0.000 1.034 34 V CA -0.392 61.681 62.300 -0.379 0.000 1.115 34 V CB 0.258 31.598 31.823 -0.804 0.000 0.934 34 V HN 0.540 8.730 8.190 -0.000 0.000 0.485 35 c N 3.982 122.457 118.600 -0.208 0.000 4.028 35 c HA -0.158 4.414 4.570 0.003 0.000 0.300 35 c C 1.897 176.050 174.090 0.105 0.000 1.399 35 c CA 0.932 57.265 56.329 0.007 0.000 2.051 35 c CB -2.679 39.880 42.510 0.081 0.000 1.318 35 c HN 1.182 9.412 8.230 -0.000 0.000 0.696 36 S N -1.562 114.120 115.700 -0.030 0.000 2.502 36 S HA 0.202 4.674 4.470 0.003 0.000 0.215 36 S C 0.454 175.000 174.600 -0.090 0.000 1.009 36 S CA 0.056 58.205 58.200 -0.085 0.000 0.908 36 S CB 0.064 63.135 63.200 -0.215 0.000 0.801 36 S HN 0.686 8.996 8.310 -0.000 0.000 0.505 37 I N 3.646 124.178 120.570 -0.063 0.000 2.821 37 I HA 0.361 4.532 4.170 0.003 0.000 0.294 37 I C 1.348 177.405 176.117 -0.100 0.000 1.210 37 I CA 1.338 62.601 61.300 -0.061 0.000 1.430 37 I CB -0.364 37.615 38.000 -0.035 0.000 1.356 37 I HN 0.596 8.806 8.210 -0.000 0.000 0.563 38 G N 5.671 114.417 108.800 -0.091 0.000 2.162 38 G HA2 -0.228 3.733 3.960 0.003 0.000 0.260 38 G HA3 -0.228 3.733 3.960 0.003 0.000 0.260 38 G C 0.203 175.011 174.900 -0.153 0.000 0.976 38 G CA -0.038 44.997 45.100 -0.108 0.000 0.655 38 G HN 0.621 8.911 8.290 -0.000 0.000 0.533 39 R N 0.138 120.540 120.500 -0.164 0.000 2.514 39 R HA 0.544 4.885 4.340 0.003 0.000 0.301 39 R C -2.646 173.603 176.300 -0.085 0.000 0.962 39 R CA -2.536 53.458 56.100 -0.176 0.000 0.882 39 R CB 0.462 30.619 30.300 -0.239 0.000 1.143 39 R HN 0.070 8.340 8.270 -0.000 0.000 0.452 40 P HA 0.003 4.423 4.420 -0.000 0.000 0.265 40 P C 0.455 177.758 177.300 0.005 0.000 1.193 40 P CA -0.020 63.069 63.100 -0.018 0.000 0.765 40 P CB 0.606 32.298 31.700 -0.013 0.000 0.823 41 D N 2.622 123.042 120.400 0.032 0.000 2.271 41 D HA -0.198 4.443 4.640 0.003 0.000 0.207 41 D C 1.315 177.658 176.300 0.073 0.000 0.983 41 D CA 1.271 55.317 54.000 0.077 0.000 0.878 41 D CB -0.212 40.647 40.800 0.098 0.000 0.920 41 D HN 0.357 8.727 8.370 -0.000 0.000 0.479 42 N N 0.030 118.758 118.700 0.046 0.000 2.494 42 N HA -0.131 4.610 4.740 0.003 0.000 0.182 42 N C 1.031 176.567 175.510 0.044 0.000 1.076 42 N CA 0.554 53.629 53.050 0.043 0.000 0.908 42 N CB -0.507 37.998 38.487 0.030 0.000 0.967 42 N HN 0.343 8.723 8.380 -0.000 0.000 0.449 43 Q N -0.233 119.594 119.800 0.044 0.000 2.320 43 Q HA 0.306 4.648 4.340 0.003 0.000 0.201 43 Q C 0.761 176.805 176.000 0.072 0.000 0.910 43 Q CA 0.147 55.986 55.803 0.060 0.000 0.946 43 Q CB 0.374 29.153 28.738 0.067 0.000 1.062 43 Q HN 0.406 8.676 8.270 -0.000 0.000 0.503 44 L N -1.088 120.171 121.223 0.060 0.000 3.086 44 L HA 0.128 4.470 4.340 0.003 0.000 0.274 44 L C 1.943 178.881 176.870 0.113 0.000 1.184 44 L CA 0.213 55.084 54.840 0.051 0.000 1.002 44 L CB 0.243 42.255 42.059 -0.077 0.000 1.383 44 L HN 0.155 8.385 8.230 -0.000 0.000 0.582 45 T N -3.653 110.962 114.554 0.101 0.000 2.777 45 T HA -0.143 4.209 4.350 0.003 0.000 0.266 45 T C 0.947 175.685 174.700 0.064 0.000 1.040 45 T CA 0.689 62.845 62.100 0.094 0.000 1.141 45 T CB -0.258 68.647 68.868 0.062 0.000 0.868 45 T HN 0.087 8.327 8.240 -0.000 0.000 0.444 46 D N 2.998 123.421 120.400 0.038 0.000 2.416 46 D HA 0.130 4.771 4.640 0.003 0.000 0.240 46 D C 1.053 177.356 176.300 0.005 0.000 1.250 46 D CA 0.139 54.146 54.000 0.012 0.000 0.967 46 D CB 0.479 41.273 40.800 -0.009 0.000 1.059 46 D HN 0.512 8.882 8.370 -0.000 0.000 0.512 47 T N -0.189 114.377 114.554 0.021 0.000 3.163 47 T HA 0.133 4.485 4.350 0.003 0.000 0.252 47 T C 0.696 175.394 174.700 -0.003 0.000 1.056 47 T CA -0.402 61.713 62.100 0.025 0.000 0.947 47 T CB -0.033 68.871 68.868 0.060 0.000 1.016 47 T HN 0.154 8.394 8.240 -0.000 0.000 0.554 48 N N 0.669 119.358 118.700 -0.019 0.000 2.282 48 N HA 0.150 4.892 4.740 0.003 0.000 0.240 48 N C -0.463 175.016 175.510 -0.052 0.000 1.182 48 N CA -0.227 52.807 53.050 -0.028 0.000 0.874 48 N CB 0.682 39.160 38.487 -0.016 0.000 1.126 48 N HN 0.382 8.762 8.380 -0.000 0.000 0.516 49 c N 2.106 120.656 118.600 -0.083 0.000 2.210 49 c HA 0.410 4.982 4.570 0.003 0.000 0.377 49 c C 0.041 174.038 174.090 -0.155 0.000 1.037 49 c CA -0.607 55.649 56.329 -0.121 0.000 1.405 49 c CB -2.117 40.297 42.510 -0.160 0.000 1.802 49 c HN 0.200 8.430 8.230 -0.000 0.000 0.495 50 L N 5.637 126.796 121.223 -0.107 0.000 2.294 50 L HA 0.474 4.815 4.340 0.003 0.000 0.283 50 L C 0.141 176.966 176.870 -0.075 0.000 1.015 50 L CA 0.482 55.263 54.840 -0.099 0.000 0.831 50 L CB 1.498 43.519 42.059 -0.063 0.000 1.217 50 L HN 0.556 8.786 8.230 -0.000 0.000 0.420 51 S N 3.578 119.228 115.700 -0.084 0.000 2.430 51 S HA 0.271 4.743 4.470 0.003 0.000 0.289 51 S C 0.752 175.341 174.600 -0.019 0.000 1.143 51 S CA -0.526 57.652 58.200 -0.036 0.000 1.067 51 S CB 0.670 63.861 63.200 -0.014 0.000 0.964 51 S HN 0.739 9.049 8.310 -0.000 0.000 0.485 52 Q N 2.889 122.686 119.800 -0.004 0.000 2.378 52 Q HA -0.020 4.321 4.340 0.003 0.000 0.205 52 Q C 1.942 177.953 176.000 0.018 0.000 0.954 52 Q CA 1.074 56.879 55.803 0.002 0.000 0.901 52 Q CB -0.147 28.592 28.738 0.001 0.000 0.981 52 Q HN 0.885 9.155 8.270 -0.000 0.000 0.483 53 S N -0.911 114.810 115.700 0.035 0.000 2.528 53 S HA 0.059 4.531 4.470 0.003 0.000 0.219 53 S C 1.963 176.621 174.600 0.097 0.000 0.985 53 S CA 0.310 58.541 58.200 0.052 0.000 0.914 53 S CB 0.149 63.378 63.200 0.048 0.000 0.776 53 S HN 0.079 8.389 8.310 -0.000 0.000 0.526 54 S N 2.405 118.173 115.700 0.113 0.000 2.374 54 S HA -0.143 4.328 4.470 0.003 0.000 0.227 54 S C 1.975 176.673 174.600 0.162 0.000 1.037 54 S CA 2.051 60.358 58.200 0.178 0.000 1.024 54 S CB -1.074 62.110 63.200 -0.027 0.000 0.861 54 S HN 0.735 9.045 8.310 -0.000 0.000 0.456 55 T N 2.315 116.912 114.554 0.071 0.000 2.746 55 T HA -0.127 4.225 4.350 0.003 0.000 0.267 55 T C 2.383 177.108 174.700 0.042 0.000 1.039 55 T CA 1.632 63.759 62.100 0.045 0.000 1.142 55 T CB -0.554 68.324 68.868 0.016 0.000 0.866 55 T HN 0.687 8.927 8.240 -0.000 0.000 0.444 56 S N 1.897 117.621 115.700 0.040 0.000 2.368 56 S HA -0.100 4.372 4.470 0.003 0.000 0.225 56 S C 1.932 176.542 174.600 0.016 0.000 1.030 56 S CA 0.890 59.102 58.200 0.021 0.000 0.999 56 S CB -0.367 62.841 63.200 0.014 0.000 0.844 56 S HN 0.490 8.800 8.310 -0.000 0.000 0.459 57 K N 0.435 120.859 120.400 0.041 0.000 2.057 57 K HA 0.052 4.373 4.320 0.003 0.000 0.207 57 K C 2.352 178.947 176.600 -0.007 0.000 1.049 57 K CA 1.456 57.736 56.287 -0.012 0.000 0.931 57 K CB -0.293 32.183 32.500 -0.040 0.000 0.714 57 K HN 0.308 8.558 8.250 -0.000 0.000 0.440 58 M N 0.427 120.082 119.600 0.092 0.000 2.132 58 M HA -0.073 4.409 4.480 0.003 0.000 0.263 58 M C 2.460 178.756 176.300 -0.007 0.000 1.065 58 M CA 1.421 56.758 55.300 0.061 0.000 1.122 58 M CB -1.031 31.626 32.600 0.096 0.000 1.365 58 M HN 0.181 8.471 8.290 -0.000 0.000 0.411 59 A N -0.147 122.667 122.820 -0.011 0.000 1.933 59 A HA -0.212 4.109 4.320 0.003 0.000 0.218 59 A C 2.151 179.721 177.584 -0.023 0.000 1.175 59 A CA 2.015 54.036 52.037 -0.027 0.000 0.628 59 A CB -0.783 18.203 19.000 -0.023 0.000 0.814 59 A HN 0.613 8.763 8.150 -0.000 0.000 0.444 60 E N -0.427 119.757 120.200 -0.027 0.000 2.072 60 E HA -0.182 4.170 4.350 0.003 0.000 0.191 60 E C 2.229 178.803 176.600 -0.045 0.000 0.985 60 E CA 0.995 57.374 56.400 -0.035 0.000 0.801 60 E CB -0.064 29.607 29.700 -0.048 0.000 0.750 60 E HN 0.612 8.972 8.360 -0.000 0.000 0.452 61 R N -0.862 119.604 120.500 -0.057 0.000 2.119 61 R HA 0.020 4.362 4.340 0.003 0.000 0.222 61 R C 2.125 178.394 176.300 -0.052 0.000 1.088 61 R CA 1.312 57.374 56.100 -0.063 0.000 0.984 61 R CB 0.122 30.371 30.300 -0.085 0.000 0.884 61 R HN 0.287 8.557 8.270 -0.000 0.000 0.447 62 c N -1.305 117.264 118.600 -0.052 0.000 3.123 62 c HA 0.292 4.864 4.570 0.003 0.000 0.399 62 c C 1.327 175.393 174.090 -0.041 0.000 1.320 62 c CA -0.802 55.489 56.329 -0.063 0.000 1.949 62 c CB -0.141 42.306 42.510 -0.104 0.000 2.692 62 c HN 0.476 8.706 8.230 -0.000 0.000 0.623 63 G N 0.286 109.071 108.800 -0.025 0.000 2.178 63 G HA2 0.359 4.321 3.960 0.003 0.000 0.244 63 G HA3 0.359 4.321 3.960 0.003 0.000 0.244 63 G C 1.132 176.043 174.900 0.019 0.000 1.213 63 G CA 0.963 46.067 45.100 0.008 0.000 0.912 63 G HN 1.332 9.622 8.290 -0.000 0.000 0.474 64 G N 1.420 110.244 108.800 0.040 0.000 2.148 64 G HA2 -0.253 3.708 3.960 0.003 0.000 0.254 64 G HA3 -0.253 3.708 3.960 0.003 0.000 0.254 64 G C 0.442 175.355 174.900 0.021 0.000 0.981 64 G CA 0.851 45.972 45.100 0.035 0.000 0.670 64 G HN 0.854 9.144 8.290 -0.000 0.000 0.528 65 K N -0.355 120.052 120.400 0.011 0.000 2.238 65 K HA 0.662 4.983 4.320 0.003 0.000 0.239 65 K C 0.931 177.536 176.600 0.009 0.000 0.987 65 K CA -0.303 55.986 56.287 0.003 0.000 0.857 65 K CB 1.544 34.035 32.500 -0.014 0.000 1.154 65 K HN 0.008 8.258 8.250 -0.000 0.000 0.439 66 S N 0.175 115.881 115.700 0.010 0.000 2.478 66 S HA -0.037 4.434 4.470 0.003 0.000 0.222 66 S C 0.095 174.701 174.600 0.010 0.000 1.008 66 S CA 0.501 58.713 58.200 0.020 0.000 0.928 66 S CB 0.145 63.359 63.200 0.022 0.000 0.781 66 S HN 0.597 8.907 8.310 -0.000 0.000 0.518 67 E N -0.871 119.323 120.200 -0.010 0.000 2.390 67 E HA 0.530 4.881 4.350 0.003 0.000 0.277 67 E C -2.027 174.547 176.600 -0.044 0.000 0.939 67 E CA -0.726 55.659 56.400 -0.024 0.000 0.769 67 E CB 2.126 31.821 29.700 -0.007 0.000 1.251 67 E HN 0.133 8.493 8.360 -0.000 0.000 0.450 68 c N 4.670 123.231 118.600 -0.065 0.000 2.811 68 c HA 0.568 5.140 4.570 0.003 0.000 0.352 68 c C -1.524 172.532 174.090 -0.057 0.000 1.098 68 c CA -0.447 55.842 56.329 -0.067 0.000 1.295 68 c CB 0.335 42.785 42.510 -0.100 0.000 1.758 68 c HN 0.696 8.926 8.230 -0.000 0.000 0.488 69 I N 6.104 126.653 120.570 -0.036 0.000 2.382 69 I HA 0.533 4.705 4.170 0.003 0.000 0.286 69 I C -0.587 175.520 176.117 -0.017 0.000 1.002 69 I CA -0.461 60.827 61.300 -0.020 0.000 1.135 69 I CB 1.595 39.589 38.000 -0.011 0.000 1.288 69 I HN 0.306 8.516 8.210 -0.000 0.000 0.448 70 V N 7.850 127.764 119.914 -0.000 0.000 2.483 70 V HA 0.374 4.496 4.120 0.003 0.000 0.297 70 V C -2.393 173.732 176.094 0.051 0.000 1.027 70 V CA -1.925 60.380 62.300 0.010 0.000 0.855 70 V CB 1.864 33.706 31.823 0.032 0.000 0.995 70 V HN 0.525 8.715 8.190 -0.000 0.000 0.424 71 P HA 0.254 4.674 4.420 -0.000 0.000 0.271 71 P C -0.438 176.936 177.300 0.123 0.000 1.216 71 P CA -0.104 63.032 63.100 0.059 0.000 0.771 71 P CB 0.756 32.477 31.700 0.035 0.000 0.864 72 A N 2.653 125.553 122.820 0.135 0.000 2.923 72 A HA 0.508 4.830 4.320 0.003 0.000 0.306 72 A C 0.209 177.832 177.584 0.065 0.000 1.542 72 A CA 0.088 52.212 52.037 0.144 0.000 1.225 72 A CB -0.956 18.165 19.000 0.200 0.000 1.147 72 A HN 0.522 8.672 8.150 -0.000 0.000 0.542 73 S N 0.549 116.185 115.700 -0.108 0.000 2.607 73 S HA 0.408 4.880 4.470 0.003 0.000 0.273 73 S C 0.360 174.892 174.600 -0.112 0.000 1.148 73 S CA -0.859 57.325 58.200 -0.027 0.000 0.833 73 S CB 0.938 64.183 63.200 0.074 0.000 1.130 73 S HN 0.295 8.605 8.310 -0.000 0.000 0.470 74 N N 0.478 119.237 118.700 0.098 0.000 2.223 74 N HA -0.026 4.715 4.740 0.003 0.000 0.185 74 N C 1.119 176.671 175.510 0.069 0.000 1.016 74 N CA 1.096 54.225 53.050 0.132 0.000 0.863 74 N CB -0.747 37.844 38.487 0.173 0.000 0.983 74 N HN 0.663 9.043 8.380 -0.000 0.000 0.429 75 F N 1.405 121.324 119.950 -0.051 0.000 2.126 75 F HA -0.168 4.361 4.527 0.003 0.000 0.299 75 F C 1.987 177.696 175.800 -0.152 0.000 1.096 75 F CA 1.060 59.013 58.000 -0.079 0.000 1.255 75 F CB -0.134 38.824 39.000 -0.070 0.000 0.997 75 F HN -0.193 8.107 8.300 -0.000 0.000 0.479 76 V N -0.844 118.928 119.914 -0.236 0.000 2.379 76 V HA -0.193 3.929 4.120 0.003 0.000 0.243 76 V C 1.710 177.399 176.094 -0.676 0.000 1.035 76 V CA 1.817 63.784 62.300 -0.556 0.000 1.035 76 V CB -0.622 30.807 31.823 -0.657 0.000 0.673 76 V HN 0.270 8.460 8.190 -0.000 0.000 0.457 77 F N 0.034 119.803 119.950 -0.301 0.000 2.704 77 F HA 0.590 5.119 4.527 0.003 0.000 0.304 77 F C 1.321 177.068 175.800 -0.088 0.000 1.094 77 F CA 0.491 58.364 58.000 -0.213 0.000 1.275 77 F CB -0.015 38.813 39.000 -0.286 0.000 1.073 77 F HN 0.271 8.571 8.300 -0.000 0.000 0.586 78 G N 0.820 109.656 108.800 0.060 0.000 2.795 78 G HA2 -0.188 3.773 3.960 0.003 0.000 0.664 78 G HA3 -0.188 3.773 3.960 0.003 0.000 0.664 78 G C -1.384 173.633 174.900 0.195 0.000 1.381 78 G CA -0.716 44.433 45.100 0.082 0.000 0.853 78 G HN 0.129 8.419 8.290 -0.000 0.000 0.545 79 D N 0.882 121.369 120.400 0.146 0.000 2.454 79 D HA 0.521 5.163 4.640 0.003 0.000 0.225 79 D C -0.292 176.055 176.300 0.079 0.000 1.081 79 D CA -1.724 52.367 54.000 0.151 0.000 0.864 79 D CB 1.314 42.180 40.800 0.109 0.000 1.040 79 D HN 0.146 8.516 8.370 -0.000 0.000 0.517 80 P HA 0.058 4.478 4.420 -0.000 0.000 0.229 80 P C 0.166 177.448 177.300 -0.031 0.000 1.160 80 P CA 0.130 63.230 63.100 -0.000 0.000 0.777 80 P CB -0.039 31.640 31.700 -0.035 0.000 0.814 81 c N -2.094 116.480 118.600 -0.043 0.000 3.220 81 c HA 0.477 5.049 4.570 0.003 0.000 0.352 81 c C -0.240 173.836 174.090 -0.023 0.000 1.031 81 c CA -1.379 54.925 56.329 -0.041 0.000 1.338 81 c CB -0.481 41.986 42.510 -0.071 0.000 1.763 81 c HN -0.139 8.091 8.230 -0.000 0.000 0.548 82 V N 3.573 123.487 119.914 0.002 0.000 2.599 82 V HA 0.502 4.624 4.120 0.003 0.000 0.300 82 V C 1.582 177.687 176.094 0.018 0.000 1.034 82 V CA 2.450 64.761 62.300 0.018 0.000 1.115 82 V CB 0.551 32.388 31.823 0.024 0.000 0.934 82 V HN 1.809 9.999 8.190 -0.000 0.000 0.485 83 G N 3.822 112.640 108.800 0.030 0.000 2.194 83 G HA2 -0.209 3.752 3.960 0.003 0.000 0.236 83 G HA3 -0.209 3.752 3.960 0.003 0.000 0.236 83 G C 0.282 175.208 174.900 0.043 0.000 0.987 83 G CA 0.063 45.185 45.100 0.037 0.000 0.635 83 G HN 0.748 9.038 8.290 -0.000 0.000 0.520 84 T N 0.523 115.093 114.554 0.026 0.000 2.794 84 T HA 0.487 4.839 4.350 0.003 0.000 0.280 84 T C -0.513 174.210 174.700 0.039 0.000 0.987 84 T CA -0.346 61.768 62.100 0.024 0.000 0.993 84 T CB 1.635 70.486 68.868 -0.028 0.000 0.939 84 T HN 0.324 8.564 8.240 -0.000 0.000 0.449 85 Y N 3.815 124.095 120.300 -0.033 0.000 2.480 85 Y HA 0.309 4.861 4.550 0.003 0.000 0.341 85 Y C 0.568 176.440 175.900 -0.047 0.000 1.031 85 Y CA 0.008 58.096 58.100 -0.020 0.000 1.295 85 Y CB 0.250 38.711 38.460 0.002 0.000 1.162 85 Y HN 0.520 8.800 8.280 -0.000 0.000 0.523 86 K N 5.210 125.267 120.400 -0.571 0.000 2.267 86 K HA 0.485 4.807 4.320 0.003 0.000 0.236 86 K C -1.662 174.618 176.600 -0.534 0.000 1.030 86 K CA -0.824 55.085 56.287 -0.631 0.000 0.930 86 K CB 1.494 33.442 32.500 -0.921 0.000 1.182 86 K HN 0.654 8.904 8.250 -0.000 0.000 0.474 87 Y N -1.872 118.139 120.300 -0.482 0.000 2.592 87 Y HA 0.536 5.088 4.550 0.003 0.000 0.334 87 Y C -1.760 174.039 175.900 -0.168 0.000 1.136 87 Y CA -1.536 56.416 58.100 -0.248 0.000 1.042 87 Y CB 0.684 39.047 38.460 -0.161 0.000 1.325 87 Y HN 0.298 8.578 8.280 -0.000 0.000 0.457 88 L N 3.339 124.649 121.223 0.144 0.000 2.272 88 L HA 0.570 4.912 4.340 0.003 0.000 0.289 88 L C -1.176 175.775 176.870 0.135 0.000 1.032 88 L CA -0.130 54.743 54.840 0.054 0.000 0.810 88 L CB 1.071 43.155 42.059 0.040 0.000 1.205 88 L HN 0.787 9.017 8.230 -0.000 0.000 0.422 89 D N 3.420 123.878 120.400 0.098 0.000 2.440 89 D HA 0.419 5.061 4.640 0.003 0.000 0.239 89 D C -1.292 175.050 176.300 0.069 0.000 1.084 89 D CA -0.078 53.999 54.000 0.130 0.000 0.843 89 D CB 1.364 42.281 40.800 0.196 0.000 1.097 89 D HN 0.585 8.955 8.370 -0.000 0.000 0.531 90 T N 3.278 117.888 114.554 0.093 0.000 2.824 90 T HA 0.387 4.739 4.350 0.003 0.000 0.282 90 T C -0.306 174.489 174.700 0.159 0.000 0.993 90 T CA -0.742 61.423 62.100 0.109 0.000 0.967 90 T CB 1.760 70.697 68.868 0.116 0.000 0.960 90 T HN 0.256 8.496 8.240 -0.000 0.000 0.441 91 K N 2.872 123.352 120.400 0.133 0.000 2.323 91 K HA 0.590 4.912 4.320 0.003 0.000 0.259 91 K C -1.407 175.296 176.600 0.170 0.000 0.947 91 K CA -0.771 55.583 56.287 0.110 0.000 0.819 91 K CB 0.917 33.442 32.500 0.042 0.000 1.109 91 K HN 0.712 8.962 8.250 -0.000 0.000 0.429 92 Y N -0.231 120.076 120.300 0.011 0.000 2.638 92 Y HA 0.669 5.220 4.550 0.002 0.000 0.339 92 Y C -1.020 174.909 175.900 0.048 0.000 1.084 92 Y CA -1.140 56.967 58.100 0.011 0.000 1.068 92 Y CB 1.275 39.737 38.460 0.003 0.000 1.294 92 Y HN 0.488 8.768 8.280 -0.000 0.000 0.480 93 S N -0.246 115.568 115.700 0.190 0.000 2.599 93 S HA 0.750 5.222 4.470 0.003 0.000 0.294 93 S C -1.506 173.212 174.600 0.197 0.000 1.094 93 S CA -0.773 57.489 58.200 0.104 0.000 0.931 93 S CB 1.285 64.567 63.200 0.136 0.000 1.093 93 S HN 0.895 9.205 8.310 -0.000 0.000 0.488 94 c N 2.761 121.428 118.600 0.112 0.000 2.281 94 c HA 0.736 5.308 4.570 0.003 0.000 0.323 94 c C 0.315 174.451 174.090 0.077 0.000 1.270 94 c CA -0.726 55.676 56.329 0.123 0.000 1.559 94 c CB -0.097 42.473 42.510 0.101 0.000 2.239 94 c HN 0.792 9.022 8.230 -0.000 0.000 0.488 95 V N 2.766 122.727 119.914 0.078 0.000 2.427 95 V HA 0.513 4.635 4.120 0.003 0.000 0.286 95 V C -0.345 175.768 176.094 0.031 0.000 1.034 95 V CA -0.378 61.945 62.300 0.039 0.000 0.893 95 V CB 1.233 33.070 31.823 0.024 0.000 0.982 95 V HN 0.762 8.952 8.190 -0.000 0.000 0.452 96 Q N 2.675 122.484 119.800 0.016 0.000 2.340 96 Q HA 0.197 4.539 4.340 0.003 0.000 0.249 96 Q C 0.942 176.947 176.000 0.009 0.000 0.957 96 Q CA 0.092 55.903 55.803 0.013 0.000 0.882 96 Q CB 1.676 30.417 28.738 0.006 0.000 1.235 96 Q HN 1.000 9.270 8.270 -0.000 0.000 0.439 97 Q N 0.820 120.627 119.800 0.012 0.000 2.124 97 Q HA -0.147 4.195 4.340 0.003 0.000 0.202 97 Q C -0.220 175.781 176.000 0.003 0.000 0.977 97 Q CA 1.319 57.128 55.803 0.009 0.000 0.850 97 Q CB 0.573 29.319 28.738 0.013 0.000 0.901 97 Q HN 0.392 8.662 8.270 -0.000 0.000 0.429 98 Q N 0.179 119.979 119.800 -0.000 0.000 2.423 98 Q HA 0.252 4.593 4.340 0.003 0.000 0.278 98 Q C -1.564 174.424 176.000 -0.021 0.000 1.097 98 Q CA -0.367 55.430 55.803 -0.009 0.000 0.809 98 Q CB 2.051 30.787 28.738 -0.003 0.000 1.391 98 Q HN 0.239 8.509 8.270 -0.000 0.000 0.428 99 E N 0.450 120.629 120.200 -0.035 0.000 2.313 99 E HA 0.221 4.573 4.350 0.003 0.000 0.276 99 E C -0.781 175.772 176.600 -0.080 0.000 1.031 99 E CA -0.024 56.346 56.400 -0.050 0.000 0.857 99 E CB 0.839 30.508 29.700 -0.051 0.000 1.040 99 E HN 0.319 8.679 8.360 -0.000 0.000 0.408 100 T N 4.895 119.400 114.554 -0.082 0.000 2.817 100 T HA 0.327 4.678 4.350 0.003 0.000 0.293 100 T C 0.052 174.645 174.700 -0.178 0.000 0.964 100 T CA -0.237 61.792 62.100 -0.118 0.000 1.085 100 T CB 0.192 69.020 68.868 -0.067 0.000 0.921 100 T HN 0.332 8.572 8.240 -0.000 0.000 0.502 101 I N 2.616 122.983 120.570 -0.338 0.000 2.354 101 I HA 0.358 4.529 4.170 0.003 0.000 0.292 101 I C 0.322 176.246 176.117 -0.320 0.000 0.989 101 I CA -0.443 60.607 61.300 -0.417 0.000 1.188 101 I CB 1.547 39.084 38.000 -0.772 0.000 1.342 101 I HN 0.500 8.710 8.210 -0.000 0.000 0.457 102 S N 3.509 119.135 115.700 -0.124 0.000 2.503 102 S HA 0.715 5.187 4.470 0.003 0.000 0.301 102 S C -0.652 173.976 174.600 0.047 0.000 1.087 102 S CA -0.634 57.563 58.200 -0.005 0.000 1.042 102 S CB 1.937 65.136 63.200 -0.001 0.000 1.043 102 S HN 0.611 8.921 8.310 -0.000 0.000 0.489 103 S N 1.840 117.602 115.700 0.104 0.000 2.536 103 S HA 0.535 5.007 4.470 0.003 0.000 0.271 103 S C -1.383 173.268 174.600 0.085 0.000 1.134 103 S CA -0.667 57.591 58.200 0.097 0.000 0.897 103 S CB 0.960 64.248 63.200 0.147 0.000 1.094 103 S HN 0.517 8.827 8.310 -0.000 0.000 0.473 104 I N 3.449 124.049 120.570 0.051 0.000 2.362 104 I HA 0.455 4.626 4.170 0.003 0.000 0.289 104 I C -0.929 175.215 176.117 0.045 0.000 0.994 104 I CA -0.585 60.738 61.300 0.039 0.000 1.158 104 I CB 1.206 39.163 38.000 -0.072 0.000 1.315 104 I HN 0.505 8.715 8.210 -0.000 0.000 0.451 105 I N 5.675 126.298 120.570 0.088 0.000 2.411 105 I HA 0.283 4.455 4.170 0.003 0.000 0.284 105 I C 0.234 176.422 176.117 0.118 0.000 1.012 105 I CA -0.451 60.902 61.300 0.089 0.000 1.119 105 I CB 1.254 39.308 38.000 0.091 0.000 1.261 105 I HN 0.431 8.641 8.210 -0.000 0.000 0.448 106 c N 4.058 122.718 118.600 0.100 0.000 2.689 106 c HA 0.086 4.658 4.570 0.003 0.000 0.409 106 c C 1.309 175.441 174.090 0.070 0.000 1.293 106 c CA -0.478 55.907 56.329 0.093 0.000 2.136 106 c CB -0.196 42.416 42.510 0.170 0.000 2.719 106 c HN 0.774 9.004 8.230 -0.000 0.000 0.644 107 E N 0.428 120.565 120.200 -0.106 0.000 2.502 107 E HA 0.285 4.637 4.350 0.003 0.000 0.261 107 E C 1.265 177.946 176.600 0.135 0.000 0.974 107 E CA 1.100 57.494 56.400 -0.010 0.000 0.936 107 E CB 0.017 29.568 29.700 -0.249 0.000 0.926 107 E HN 1.050 9.410 8.360 -0.000 0.000 0.459 108 G N 2.891 111.780 108.800 0.148 0.000 2.213 108 G HA2 -0.235 3.726 3.960 0.003 0.000 0.236 108 G HA3 -0.235 3.726 3.960 0.003 0.000 0.236 108 G C 0.148 175.116 174.900 0.112 0.000 0.991 108 G CA 0.199 45.386 45.100 0.145 0.000 0.629 108 G HN 0.574 8.864 8.290 -0.000 0.000 0.517 109 S N 0.480 116.246 115.700 0.110 0.000 2.747 109 S HA 0.670 5.142 4.470 0.003 0.000 0.300 109 S C -0.830 173.813 174.600 0.072 0.000 1.121 109 S CA -0.658 57.593 58.200 0.086 0.000 0.995 109 S CB 1.542 64.795 63.200 0.089 0.000 1.113 109 S HN 0.288 8.598 8.310 -0.000 0.000 0.547 110 D N 1.736 122.170 120.400 0.055 0.000 2.192 110 D HA 0.406 5.048 4.640 0.003 0.000 0.246 110 D C -0.247 176.082 176.300 0.048 0.000 1.042 110 D CA -0.222 53.805 54.000 0.044 0.000 0.847 110 D CB 1.662 42.476 40.800 0.024 0.000 1.186 110 D HN 0.497 8.867 8.370 -0.000 0.000 0.461 111 S N 1.438 117.170 115.700 0.053 0.000 2.632 111 S HA 0.395 4.867 4.470 0.003 0.000 0.271 111 S C -0.088 174.523 174.600 0.019 0.000 1.260 111 S CA -0.794 57.435 58.200 0.047 0.000 1.010 111 S CB 2.068 65.305 63.200 0.062 0.000 0.965 111 S HN 0.473 8.783 8.310 -0.000 0.000 0.534 112 Q N 1.479 121.286 119.800 0.012 0.000 2.786 112 Q HA 0.366 4.708 4.340 0.003 0.000 0.240 112 Q C -1.941 174.049 176.000 -0.017 0.000 0.928 112 Q CA -0.518 55.282 55.803 -0.004 0.000 0.721 112 Q CB 0.492 29.238 28.738 0.013 0.000 1.318 112 Q HN 0.686 8.956 8.270 -0.000 0.000 0.474 113 L N 3.044 124.204 121.223 -0.104 0.000 2.371 113 L HA 0.512 4.854 4.340 0.003 0.000 0.272 113 L C -0.444 176.373 176.870 -0.088 0.000 1.124 113 L CA 0.272 54.977 54.840 -0.225 0.000 0.816 113 L CB 0.890 42.515 42.059 -0.724 0.000 1.129 113 L HN 0.532 8.762 8.230 -0.000 0.000 0.448 114 L N 1.883 123.156 121.223 0.084 0.000 2.445 114 L HA 0.534 4.876 4.340 0.003 0.000 0.262 114 L C -1.378 175.611 176.870 0.197 0.000 0.974 114 L CA -0.332 54.575 54.840 0.112 0.000 0.822 114 L CB 2.406 44.519 42.059 0.090 0.000 1.339 114 L HN 0.555 8.785 8.230 -0.000 0.000 0.409 115 c N 0.904 119.580 118.600 0.126 0.000 2.346 115 c HA 0.252 4.823 4.570 0.003 0.000 0.326 115 c C 0.915 175.044 174.090 0.065 0.000 1.224 115 c CA -0.925 55.473 56.329 0.115 0.000 1.408 115 c CB 0.866 43.445 42.510 0.115 0.000 2.089 115 c HN 0.925 9.155 8.230 -0.000 0.000 0.456 116 D N 1.866 122.297 120.400 0.052 0.000 2.269 116 D HA -0.077 4.564 4.640 0.003 0.000 0.208 116 D C 0.549 176.866 176.300 0.027 0.000 0.963 116 D CA 0.767 54.787 54.000 0.034 0.000 0.864 116 D CB 0.208 41.023 40.800 0.027 0.000 0.936 116 D HN 0.781 9.151 8.370 -0.000 0.000 0.505 117 R N -1.975 118.543 120.500 0.030 0.000 2.668 117 R HA 0.586 4.927 4.340 0.003 0.000 0.272 117 R C 0.388 176.707 176.300 0.032 0.000 1.019 117 R CA -0.566 55.549 56.100 0.025 0.000 0.894 117 R CB 1.371 31.682 30.300 0.018 0.000 1.228 117 R HN 0.046 8.316 8.270 -0.000 0.000 0.460 118 G N 1.135 109.952 108.800 0.028 0.000 2.642 118 G HA2 -0.201 3.761 3.960 0.003 0.000 0.231 118 G HA3 -0.201 3.761 3.960 0.003 0.000 0.231 118 G C -1.028 173.896 174.900 0.039 0.000 1.338 118 G CA 0.092 45.211 45.100 0.032 0.000 0.883 118 G HN 1.102 9.392 8.290 -0.000 0.000 0.570 119 E N -1.303 118.924 120.200 0.045 0.000 2.343 119 E HA 0.689 5.041 4.350 0.003 0.000 0.270 119 E C -0.263 176.380 176.600 0.071 0.000 0.895 119 E CA -1.314 55.114 56.400 0.047 0.000 0.767 119 E CB 1.868 31.587 29.700 0.030 0.000 1.248 119 E HN 0.652 9.012 8.360 -0.000 0.000 0.440 120 I N 1.451 122.061 120.570 0.067 0.000 2.648 120 I HA 0.120 4.292 4.170 0.003 0.000 0.284 120 I C 0.456 176.621 176.117 0.080 0.000 1.153 120 I CA 0.286 61.642 61.300 0.093 0.000 1.426 120 I CB 0.317 38.308 38.000 -0.015 0.000 1.381 120 I HN 0.443 8.653 8.210 -0.000 0.000 0.571 121 R N 6.675 127.252 120.500 0.128 0.000 2.500 121 R HA 0.386 4.727 4.340 0.003 0.000 0.299 121 R C -1.046 175.332 176.300 0.130 0.000 1.038 121 R CA -0.783 55.373 56.100 0.093 0.000 0.903 121 R CB 0.875 31.218 30.300 0.072 0.000 1.177 121 R HN 0.453 8.723 8.270 -0.000 0.000 0.455 122 I N 4.549 125.176 120.570 0.095 0.000 2.598 122 I HA -0.048 4.124 4.170 0.003 0.000 0.284 122 I C 1.172 177.345 176.117 0.094 0.000 1.140 122 I CA 0.492 61.857 61.300 0.108 0.000 1.420 122 I CB 1.304 39.342 38.000 0.063 0.000 1.387 122 I HN 0.738 8.948 8.210 -0.000 0.000 0.553 123 Q N 6.236 126.100 119.800 0.106 0.000 2.178 123 Q HA 0.139 4.481 4.340 0.003 0.000 0.195 123 Q C 0.412 176.447 176.000 0.057 0.000 0.960 123 Q CA 0.887 56.731 55.803 0.070 0.000 0.843 123 Q CB 0.479 29.253 28.738 0.060 0.000 0.927 123 Q HN 0.747 9.017 8.270 -0.000 0.000 0.487 124 R N -1.637 118.902 120.500 0.065 0.000 2.690 124 R HA 0.792 5.133 4.340 0.003 0.000 0.269 124 R C -1.717 174.614 176.300 0.051 0.000 1.037 124 R CA -0.570 55.559 56.100 0.048 0.000 0.877 124 R CB 1.095 31.417 30.300 0.035 0.000 1.255 124 R HN -0.002 8.268 8.270 -0.000 0.000 0.467 125 A N 1.161 123.999 122.820 0.030 0.000 2.604 125 A HA 0.668 4.990 4.320 0.003 0.000 0.295 125 A C -1.869 175.698 177.584 -0.027 0.000 1.067 125 A CA -0.754 51.289 52.037 0.009 0.000 0.683 125 A CB 2.351 21.358 19.000 0.011 0.000 1.281 125 A HN 0.798 8.948 8.150 -0.000 0.000 0.407 126 N N -0.552 118.109 118.700 -0.065 0.000 2.287 126 N HA 0.523 5.265 4.740 0.003 0.000 0.289 126 N C -2.038 173.361 175.510 -0.184 0.000 1.066 126 N CA -0.253 52.732 53.050 -0.109 0.000 0.841 126 N CB 1.475 39.901 38.487 -0.103 0.000 1.599 126 N HN 0.684 9.064 8.380 -0.000 0.000 0.476 127 Y N 3.145 123.215 120.300 -0.383 0.000 2.356 127 Y HA 0.737 5.287 4.550 0.001 0.000 0.334 127 Y C 0.382 176.064 175.900 -0.362 0.000 0.958 127 Y CA 0.322 58.131 58.100 -0.484 0.000 1.196 127 Y CB 0.491 38.533 38.460 -0.697 0.000 1.137 127 Y HN 0.740 9.020 8.280 -0.000 0.000 0.485 128 G N 4.924 113.193 108.800 -0.884 0.000 2.591 128 G HA2 0.242 4.203 3.960 0.003 0.000 0.104 128 G HA3 0.242 4.203 3.960 0.003 0.000 0.104 128 G C -1.680 172.667 174.900 -0.922 0.000 1.097 128 G CA -0.957 43.677 45.100 -0.776 0.000 1.076 128 G HN 0.623 8.913 8.290 -0.000 0.000 0.485 129 R N 0.167 120.285 120.500 -0.638 0.000 2.542 129 R HA 0.583 4.924 4.340 0.003 0.000 0.284 129 R C -0.190 175.992 176.300 -0.197 0.000 1.167 129 R CA -0.520 55.261 56.100 -0.532 0.000 1.000 129 R CB 1.106 31.246 30.300 -0.267 0.000 1.229 129 R HN 0.508 8.778 8.270 -0.000 0.000 0.416 130 R N 1.821 122.297 120.500 -0.040 0.000 2.509 130 R HA 0.195 4.537 4.340 0.003 0.000 0.297 130 R C -0.508 175.857 176.300 0.108 0.000 0.951 130 R CA -0.084 56.036 56.100 0.034 0.000 1.103 130 R CB 1.108 31.422 30.300 0.022 0.000 1.283 130 R HN 0.450 8.720 8.270 -0.000 0.000 0.534 131 Q N -1.320 118.597 119.800 0.194 0.000 2.389 131 Q HA 0.214 4.556 4.340 0.003 0.000 0.277 131 Q C -0.091 176.009 176.000 0.166 0.000 1.082 131 Q CA -0.574 55.325 55.803 0.159 0.000 0.810 131 Q CB 1.779 30.589 28.738 0.119 0.000 1.374 131 Q HN -0.000 8.270 8.270 -0.000 0.000 0.422 132 H N 1.384 120.497 119.070 0.072 0.000 2.372 132 H HA -0.016 4.542 4.556 0.003 0.000 0.301 132 H C -0.158 175.206 175.328 0.059 0.000 1.065 132 H CA 1.587 57.676 56.048 0.069 0.000 1.364 132 H CB 0.762 30.553 29.762 0.049 0.000 1.406 132 H HN 0.638 8.918 8.280 -0.000 0.000 0.521 133 D N 0.703 121.181 120.400 0.130 0.000 2.340 133 D HA 0.048 4.689 4.640 0.003 0.000 0.220 133 D C 0.292 176.568 176.300 -0.040 0.000 1.039 133 D CA 0.049 54.087 54.000 0.063 0.000 0.866 133 D CB 0.555 41.415 40.800 0.100 0.000 0.913 133 D HN 0.054 8.424 8.370 -0.000 0.000 0.523 134 V N 0.853 120.701 119.914 -0.109 0.000 2.530 134 V HA 0.029 4.150 4.120 0.003 0.000 0.282 134 V C 0.903 176.828 176.094 -0.281 0.000 1.048 134 V CA -0.703 61.419 62.300 -0.297 0.000 0.997 134 V CB 1.125 32.580 31.823 -0.615 0.000 0.987 134 V HN 0.335 8.525 8.190 -0.000 0.000 0.477 135 c N 4.246 122.727 118.600 -0.198 0.000 3.727 135 c HA -0.130 4.442 4.570 0.003 0.000 0.293 135 c C 1.499 175.673 174.090 0.140 0.000 1.339 135 c CA 0.900 57.239 56.329 0.018 0.000 2.150 135 c CB -2.544 39.998 42.510 0.053 0.000 1.383 135 c HN 1.147 9.377 8.230 -0.000 0.000 0.614 136 S N -2.114 113.603 115.700 0.029 0.000 2.701 136 S HA 0.332 4.804 4.470 0.003 0.000 0.242 136 S C 0.184 174.762 174.600 -0.037 0.000 1.025 136 S CA -0.337 57.857 58.200 -0.010 0.000 1.016 136 S CB 0.221 63.386 63.200 -0.059 0.000 0.977 136 S HN 0.532 8.842 8.310 -0.000 0.000 0.546 137 I N 3.166 123.715 120.570 -0.035 0.000 2.533 137 I HA 0.320 4.492 4.170 0.003 0.000 0.284 137 I C 1.558 177.620 176.117 -0.092 0.000 1.109 137 I CA 1.188 62.461 61.300 -0.045 0.000 1.412 137 I CB -0.592 37.393 38.000 -0.026 0.000 1.396 137 I HN 0.576 8.786 8.210 -0.000 0.000 0.543 138 G N 6.343 115.101 108.800 -0.069 0.000 2.249 138 G HA2 -0.251 3.711 3.960 0.003 0.000 0.273 138 G HA3 -0.251 3.711 3.960 0.003 0.000 0.273 138 G C 0.307 175.134 174.900 -0.121 0.000 1.036 138 G CA -0.163 44.889 45.100 -0.081 0.000 0.824 138 G HN 0.531 8.821 8.290 -0.000 0.000 0.504 139 R N 0.023 120.452 120.500 -0.118 0.000 2.494 139 R HA 0.480 4.822 4.340 0.003 0.000 0.305 139 R C -2.268 174.000 176.300 -0.053 0.000 0.959 139 R CA -1.923 54.096 56.100 -0.135 0.000 0.864 139 R CB 1.446 31.636 30.300 -0.184 0.000 1.159 139 R HN 0.147 8.417 8.270 -0.000 0.000 0.446 140 P HA 0.036 4.456 4.420 -0.000 0.000 0.269 140 P C 0.533 177.818 177.300 -0.024 0.000 1.215 140 P CA -0.096 62.991 63.100 -0.021 0.000 0.780 140 P CB 0.386 32.038 31.700 -0.080 0.000 0.898 141 H N 0.664 119.756 119.070 0.036 0.000 2.426 141 H HA -0.207 4.351 4.556 0.003 0.000 0.298 141 H C 1.356 176.725 175.328 0.068 0.000 1.107 141 H CA 1.652 57.746 56.048 0.077 0.000 1.298 141 H CB -0.671 29.143 29.762 0.086 0.000 1.377 141 H HN 0.299 8.579 8.280 -0.000 0.000 0.519 142 Q N 0.548 120.025 119.800 -0.538 0.000 2.226 142 Q HA -0.105 4.237 4.340 0.003 0.000 0.204 142 Q C 1.901 177.841 176.000 -0.099 0.000 0.975 142 Q CA 1.681 57.308 55.803 -0.293 0.000 0.866 142 Q CB 0.022 28.579 28.738 -0.300 0.000 0.915 142 Q HN 0.723 8.993 8.270 -0.000 0.000 0.440 143 Q N -0.739 119.017 119.800 -0.073 0.000 2.403 143 Q HA 0.124 4.466 4.340 0.003 0.000 0.203 143 Q C 0.800 176.810 176.000 0.017 0.000 0.932 143 Q CA 0.379 56.178 55.803 -0.007 0.000 0.945 143 Q CB 0.525 29.270 28.738 0.011 0.000 1.045 143 Q HN 0.364 8.634 8.270 -0.000 0.000 0.511 144 L N -0.286 120.934 121.223 -0.005 0.000 2.966 144 L HA 0.129 4.471 4.340 0.003 0.000 0.262 144 L C 1.817 178.707 176.870 0.034 0.000 1.165 144 L CA -0.003 54.793 54.840 -0.072 0.000 0.978 144 L CB 0.167 42.045 42.059 -0.302 0.000 1.337 144 L HN 0.090 8.320 8.230 -0.000 0.000 0.563 145 K N -0.265 120.200 120.400 0.108 0.000 2.155 145 K HA -0.091 4.231 4.320 0.003 0.000 0.203 145 K C 0.921 177.583 176.600 0.104 0.000 1.052 145 K CA 0.786 57.169 56.287 0.160 0.000 0.948 145 K CB -0.168 32.416 32.500 0.140 0.000 0.728 145 K HN 0.052 8.302 8.250 -0.000 0.000 0.448 146 N N 2.493 121.221 118.700 0.048 0.000 2.415 146 N HA -0.016 4.726 4.740 0.003 0.000 0.250 146 N C -0.477 175.038 175.510 0.009 0.000 1.127 146 N CA 0.171 53.231 53.050 0.018 0.000 0.945 146 N CB 1.036 39.515 38.487 -0.014 0.000 1.196 146 N HN 0.335 8.715 8.380 -0.000 0.000 0.499 147 T N -0.518 114.055 114.554 0.031 0.000 3.214 147 T HA 0.285 4.637 4.350 0.003 0.000 0.264 147 T C 0.096 174.797 174.700 0.002 0.000 1.012 147 T CA -0.448 61.671 62.100 0.032 0.000 0.901 147 T CB -0.226 68.692 68.868 0.084 0.000 1.070 147 T HN 0.326 8.566 8.240 -0.000 0.000 0.561 148 N N 0.990 119.678 118.700 -0.020 0.000 2.517 148 N HA 0.185 4.927 4.740 0.003 0.000 0.285 148 N C -0.986 174.491 175.510 -0.055 0.000 1.528 148 N CA -0.349 52.683 53.050 -0.029 0.000 0.892 148 N CB 0.871 39.350 38.487 -0.012 0.000 1.356 148 N HN 0.403 8.783 8.380 -0.000 0.000 0.495 149 c N 1.988 120.532 118.600 -0.093 0.000 2.246 149 c HA 0.594 5.165 4.570 0.003 0.000 0.329 149 c C -0.108 173.889 174.090 -0.155 0.000 1.221 149 c CA -0.343 55.910 56.329 -0.126 0.000 1.697 149 c CB -1.540 40.868 42.510 -0.169 0.000 2.312 149 c HN 0.272 8.502 8.230 -0.000 0.000 0.509 150 L N 5.476 126.635 121.223 -0.107 0.000 2.354 150 L HA 0.578 4.920 4.340 0.003 0.000 0.269 150 L C 0.034 176.867 176.870 -0.062 0.000 1.005 150 L CA -0.208 54.577 54.840 -0.091 0.000 0.819 150 L CB 2.207 44.233 42.059 -0.056 0.000 1.311 150 L HN 0.525 8.755 8.230 -0.000 0.000 0.423 151 S N 0.640 116.311 115.700 -0.048 0.000 2.733 151 S HA 0.236 4.707 4.470 0.003 0.000 0.307 151 S C 0.411 175.017 174.600 0.010 0.000 1.127 151 S CA -0.639 57.563 58.200 0.002 0.000 1.097 151 S CB 1.683 64.912 63.200 0.049 0.000 1.003 151 S HN 0.627 8.937 8.310 -0.000 0.000 0.477 152 Q N 1.450 121.258 119.800 0.014 0.000 2.226 152 Q HA -0.112 4.230 4.340 0.003 0.000 0.204 152 Q C 1.866 177.884 176.000 0.030 0.000 0.975 152 Q CA 1.484 57.296 55.803 0.016 0.000 0.866 152 Q CB -0.127 28.619 28.738 0.013 0.000 0.915 152 Q HN 0.817 9.087 8.270 -0.000 0.000 0.440 153 S N -0.807 114.921 115.700 0.047 0.000 2.562 153 S HA -0.010 4.462 4.470 0.003 0.000 0.221 153 S C 1.747 176.404 174.600 0.095 0.000 0.975 153 S CA 0.635 58.873 58.200 0.064 0.000 0.918 153 S CB -0.062 63.179 63.200 0.069 0.000 0.772 153 S HN 0.177 8.487 8.310 -0.000 0.000 0.531 154 T N 2.823 117.432 114.554 0.092 0.000 2.684 154 T HA -0.121 4.231 4.350 0.003 0.000 0.267 154 T C 1.908 176.668 174.700 0.099 0.000 1.036 154 T CA 2.115 64.280 62.100 0.108 0.000 1.148 154 T CB -1.066 67.784 68.868 -0.030 0.000 0.863 154 T HN 0.562 8.802 8.240 -0.000 0.000 0.436 155 T N 2.431 117.019 114.554 0.057 0.000 2.652 155 T HA -0.159 4.193 4.350 0.003 0.000 0.267 155 T C 2.523 177.258 174.700 0.059 0.000 1.039 155 T CA 1.804 63.936 62.100 0.053 0.000 1.153 155 T CB -0.593 68.298 68.868 0.038 0.000 0.863 155 T HN 0.646 8.886 8.240 -0.000 0.000 0.428 156 S N 1.751 117.483 115.700 0.053 0.000 2.382 156 S HA -0.093 4.378 4.470 0.003 0.000 0.228 156 S C 1.941 176.569 174.600 0.046 0.000 1.027 156 S CA 0.940 59.166 58.200 0.042 0.000 0.991 156 S CB -0.370 62.850 63.200 0.033 0.000 0.823 156 S HN 0.472 8.782 8.310 -0.000 0.000 0.469 157 K N 0.256 120.701 120.400 0.074 0.000 2.097 157 K HA 0.086 4.408 4.320 0.003 0.000 0.206 157 K C 2.274 178.914 176.600 0.067 0.000 1.049 157 K CA 1.387 57.713 56.287 0.065 0.000 0.933 157 K CB -0.242 32.323 32.500 0.110 0.000 0.717 157 K HN 0.337 8.587 8.250 -0.000 0.000 0.442 158 M N 0.161 119.831 119.600 0.115 0.000 2.200 158 M HA -0.026 4.456 4.480 0.003 0.000 0.265 158 M C 2.407 178.726 176.300 0.031 0.000 1.066 158 M CA 1.182 56.534 55.300 0.086 0.000 1.127 158 M CB -0.922 31.736 32.600 0.098 0.000 1.379 158 M HN 0.134 8.424 8.290 -0.000 0.000 0.420 159 A N 0.169 123.009 122.820 0.033 0.000 1.877 159 A HA -0.216 4.106 4.320 0.003 0.000 0.216 159 A C 2.152 179.739 177.584 0.006 0.000 1.186 159 A CA 2.059 54.108 52.037 0.020 0.000 0.620 159 A CB -0.841 18.174 19.000 0.025 0.000 0.822 159 A HN 0.581 8.731 8.150 -0.000 0.000 0.443 160 E N -0.454 119.749 120.200 0.004 0.000 2.085 160 E HA -0.220 4.132 4.350 0.003 0.000 0.194 160 E C 2.203 178.791 176.600 -0.020 0.000 0.994 160 E CA 1.308 57.703 56.400 -0.008 0.000 0.801 160 E CB -0.065 29.628 29.700 -0.013 0.000 0.743 160 E HN 0.602 8.962 8.360 -0.000 0.000 0.453 161 R N -1.124 119.361 120.500 -0.026 0.000 2.161 161 R HA 0.056 4.398 4.340 0.003 0.000 0.213 161 R C 1.962 178.238 176.300 -0.039 0.000 1.055 161 R CA 1.041 57.117 56.100 -0.040 0.000 0.996 161 R CB 0.208 30.474 30.300 -0.056 0.000 0.901 161 R HN 0.271 8.541 8.270 -0.000 0.000 0.456 162 c N -0.638 117.941 118.600 -0.035 0.000 2.937 162 c HA 0.197 4.769 4.570 0.003 0.000 0.426 162 c C -0.033 174.035 174.090 -0.037 0.000 1.321 162 c CA -0.755 55.544 56.329 -0.051 0.000 2.082 162 c CB 0.039 42.498 42.510 -0.086 0.000 2.834 162 c HN 0.292 8.522 8.230 -0.000 0.000 0.593 163 D N 1.071 121.462 120.400 -0.016 0.000 2.531 163 D HA 0.381 5.022 4.640 0.003 0.000 0.239 163 D C 1.234 177.533 176.300 -0.001 0.000 1.144 163 D CA 2.129 56.129 54.000 -0.000 0.000 0.869 163 D CB 0.116 40.922 40.800 0.010 0.000 1.160 163 D HN 0.621 8.991 8.370 -0.000 0.000 0.484 164 G N 2.051 110.855 108.800 0.007 0.000 2.213 164 G HA2 -0.278 3.684 3.960 0.003 0.000 0.236 164 G HA3 -0.278 3.684 3.960 0.003 0.000 0.236 164 G C 0.463 175.365 174.900 0.003 0.000 0.991 164 G CA 0.057 45.161 45.100 0.007 0.000 0.629 164 G HN 0.501 8.791 8.290 -0.000 0.000 0.517 165 K N -0.295 120.101 120.400 -0.006 0.000 2.090 165 K HA 0.621 4.943 4.320 0.003 0.000 0.249 165 K C 1.220 177.819 176.600 -0.001 0.000 0.995 165 K CA -0.764 55.517 56.287 -0.010 0.000 0.914 165 K CB 0.874 33.359 32.500 -0.025 0.000 1.057 165 K HN 0.107 8.357 8.250 -0.000 0.000 0.462 166 R N 0.375 120.876 120.500 0.001 0.000 2.237 166 R HA 0.022 4.363 4.340 0.003 0.000 0.195 166 R C 0.298 176.603 176.300 0.007 0.000 0.956 166 R CA 0.382 56.490 56.100 0.014 0.000 1.029 166 R CB 0.590 30.900 30.300 0.017 0.000 0.972 166 R HN 0.515 8.785 8.270 -0.000 0.000 0.493 167 Q N 0.683 120.476 119.800 -0.012 0.000 2.284 167 Q HA 0.301 4.642 4.340 0.003 0.000 0.269 167 Q C -1.801 174.174 176.000 -0.042 0.000 1.026 167 Q CA -0.734 55.055 55.803 -0.023 0.000 0.831 167 Q CB 2.172 30.905 28.738 -0.009 0.000 1.322 167 Q HN 0.274 8.544 8.270 -0.000 0.000 0.419 168 c N 3.402 121.961 118.600 -0.068 0.000 2.481 168 c HA 0.776 5.348 4.570 0.003 0.000 0.324 168 c C -0.696 173.358 174.090 -0.061 0.000 1.170 168 c CA -0.781 55.506 56.329 -0.070 0.000 1.361 168 c CB -0.079 42.376 42.510 -0.092 0.000 1.977 168 c HN 0.857 9.087 8.230 -0.000 0.000 0.459 169 I N 4.174 124.718 120.570 -0.043 0.000 2.330 169 I HA 0.567 4.738 4.170 0.003 0.000 0.289 169 I C -0.485 175.611 176.117 -0.035 0.000 1.001 169 I CA -0.376 60.906 61.300 -0.030 0.000 1.193 169 I CB 1.697 39.683 38.000 -0.023 0.000 1.345 169 I HN 0.575 8.785 8.210 -0.000 0.000 0.461 170 V N 6.316 126.219 119.914 -0.018 0.000 2.483 170 V HA 0.274 4.395 4.120 0.003 0.000 0.297 170 V C 0.041 176.132 176.094 -0.004 0.000 1.027 170 V CA -1.004 61.279 62.300 -0.028 0.000 0.855 170 V CB 1.863 33.694 31.823 0.014 0.000 0.995 170 V HN 0.639 8.829 8.190 -0.000 0.000 0.424 171 K N 3.465 123.830 120.400 -0.058 0.000 2.412 171 K HA 0.301 4.623 4.320 0.003 0.000 0.284 171 K C -0.449 176.151 176.600 0.000 0.000 1.046 171 K CA -0.277 55.990 56.287 -0.033 0.000 0.999 171 K CB 0.925 33.385 32.500 -0.067 0.000 0.941 171 K HN 0.521 8.771 8.250 -0.000 0.000 0.474 172 V N 5.616 125.585 119.914 0.093 0.000 2.223 172 V HA 0.073 4.195 4.120 0.003 0.000 0.249 172 V C -0.184 175.959 176.094 0.082 0.000 1.233 172 V CA 0.008 62.414 62.300 0.177 0.000 1.131 172 V CB -0.582 31.350 31.823 0.181 0.000 1.298 172 V HN 0.884 9.074 8.190 -0.000 0.000 0.498 173 S N 2.218 117.899 115.700 -0.032 0.000 2.671 173 S HA 0.453 4.925 4.470 0.003 0.000 0.277 173 S C 0.500 175.030 174.600 -0.116 0.000 1.165 173 S CA -0.918 57.266 58.200 -0.027 0.000 0.822 173 S CB 1.552 64.746 63.200 -0.011 0.000 1.150 173 S HN 0.268 8.578 8.310 -0.000 0.000 0.479 174 N N 1.704 120.422 118.700 0.030 0.000 2.309 174 N HA -0.079 4.663 4.740 0.003 0.000 0.182 174 N C 1.948 177.442 175.510 -0.028 0.000 1.018 174 N CA 1.587 54.674 53.050 0.062 0.000 0.876 174 N CB -0.733 37.827 38.487 0.122 0.000 0.972 174 N HN 0.807 9.187 8.380 -0.000 0.000 0.434 175 S N -0.190 115.474 115.700 -0.061 0.000 2.419 175 S HA -0.053 4.418 4.470 0.003 0.000 0.233 175 S C 2.020 176.522 174.600 -0.163 0.000 1.016 175 S CA 0.902 59.051 58.200 -0.086 0.000 0.974 175 S CB -0.492 62.664 63.200 -0.074 0.000 0.786 175 S HN 0.058 8.368 8.310 -0.000 0.000 0.492 176 V N -0.348 119.395 119.914 -0.286 0.000 2.492 176 V HA 0.217 4.338 4.120 0.003 0.000 0.241 176 V C 1.658 177.411 176.094 -0.567 0.000 1.041 176 V CA 1.093 63.084 62.300 -0.516 0.000 1.057 176 V CB -0.651 30.653 31.823 -0.865 0.000 0.711 176 V HN 0.491 8.681 8.190 -0.000 0.000 0.468 177 F N 0.424 120.216 119.950 -0.263 0.000 2.721 177 F HA 0.603 5.130 4.527 0.000 0.000 0.301 177 F C 1.340 177.100 175.800 -0.066 0.000 1.096 177 F CA 0.366 58.231 58.000 -0.225 0.000 1.308 177 F CB -0.090 38.609 39.000 -0.503 0.000 1.086 177 F HN 0.266 8.566 8.300 -0.000 0.000 0.587 178 G N 0.721 109.581 108.800 0.099 0.000 2.756 178 G HA2 -0.164 3.798 3.960 0.003 0.000 0.678 178 G HA3 -0.164 3.798 3.960 0.003 0.000 0.678 178 G C -1.369 173.659 174.900 0.214 0.000 1.349 178 G CA -0.661 44.510 45.100 0.119 0.000 0.847 178 G HN 0.131 8.421 8.290 -0.000 0.000 0.548 179 D N 0.784 121.277 120.400 0.156 0.000 2.464 179 D HA 0.516 5.157 4.640 0.003 0.000 0.243 179 D C -0.302 176.045 176.300 0.078 0.000 1.104 179 D CA -1.636 52.457 54.000 0.156 0.000 0.883 179 D CB 1.312 42.175 40.800 0.104 0.000 1.050 179 D HN 0.148 8.518 8.370 -0.000 0.000 0.524 180 P HA 0.024 4.444 4.420 -0.000 0.000 0.226 180 P C 0.226 177.502 177.300 -0.041 0.000 1.153 180 P CA 0.209 63.305 63.100 -0.006 0.000 0.777 180 P CB -0.047 31.626 31.700 -0.045 0.000 0.794 181 c N -1.989 116.577 118.600 -0.058 0.000 3.171 181 c HA 0.471 5.042 4.570 0.003 0.000 0.336 181 c C -0.189 173.879 174.090 -0.038 0.000 1.035 181 c CA -1.401 54.895 56.329 -0.056 0.000 1.361 181 c CB -0.475 41.982 42.510 -0.087 0.000 1.804 181 c HN -0.137 8.093 8.230 -0.000 0.000 0.535 182 V N 3.605 123.512 119.914 -0.012 0.000 2.557 182 V HA 0.463 4.585 4.120 0.003 0.000 0.301 182 V C 1.596 177.690 176.094 -0.001 0.000 1.026 182 V CA 2.515 64.816 62.300 0.003 0.000 1.137 182 V CB 0.330 32.159 31.823 0.010 0.000 0.917 182 V HN 1.784 9.974 8.190 -0.000 0.000 0.484 183 G N 3.843 112.648 108.800 0.008 0.000 2.194 183 G HA2 -0.214 3.747 3.960 0.003 0.000 0.236 183 G HA3 -0.214 3.747 3.960 0.003 0.000 0.236 183 G C 0.277 175.182 174.900 0.009 0.000 0.987 183 G CA 0.054 45.159 45.100 0.008 0.000 0.635 183 G HN 0.743 9.033 8.290 -0.000 0.000 0.520 184 T N 0.611 115.163 114.554 -0.003 0.000 2.795 184 T HA 0.481 4.833 4.350 0.003 0.000 0.282 184 T C -0.399 174.312 174.700 0.018 0.000 0.980 184 T CA -0.314 61.782 62.100 -0.007 0.000 1.012 184 T CB 1.615 70.446 68.868 -0.062 0.000 0.936 184 T HN 0.329 8.569 8.240 -0.000 0.000 0.457 185 Y N 3.672 123.935 120.300 -0.061 0.000 2.436 185 Y HA 0.317 4.870 4.550 0.004 0.000 0.336 185 Y C 0.533 176.392 175.900 -0.067 0.000 1.049 185 Y CA 0.036 58.114 58.100 -0.037 0.000 1.294 185 Y CB 0.278 38.732 38.460 -0.010 0.000 1.179 185 Y HN 0.536 8.816 8.280 -0.000 0.000 0.520 186 K N 5.121 125.176 120.400 -0.575 0.000 2.393 186 K HA 0.520 4.842 4.320 0.003 0.000 0.241 186 K C -1.703 174.576 176.600 -0.535 0.000 1.055 186 K CA -0.854 55.036 56.287 -0.661 0.000 0.951 186 K CB 1.624 33.530 32.500 -0.991 0.000 1.285 186 K HN 0.651 8.901 8.250 -0.000 0.000 0.500 187 Y N -1.912 118.117 120.300 -0.452 0.000 2.624 187 Y HA 0.508 5.061 4.550 0.005 0.000 0.334 187 Y C -1.640 174.196 175.900 -0.107 0.000 1.155 187 Y CA -1.543 56.430 58.100 -0.211 0.000 1.046 187 Y CB 0.578 38.942 38.460 -0.161 0.000 1.316 187 Y HN 0.293 8.573 8.280 -0.000 0.000 0.457 188 L N 2.991 124.312 121.223 0.165 0.000 2.265 188 L HA 0.536 4.877 4.340 0.003 0.000 0.288 188 L C -0.988 175.957 176.870 0.125 0.000 1.058 188 L CA 0.031 54.895 54.840 0.039 0.000 0.809 188 L CB 0.855 42.895 42.059 -0.032 0.000 1.179 188 L HN 0.760 8.990 8.230 -0.000 0.000 0.429 189 D N 4.498 124.949 120.400 0.085 0.000 2.453 189 D HA 0.361 5.003 4.640 0.003 0.000 0.238 189 D C -1.451 174.888 176.300 0.065 0.000 1.088 189 D CA -0.058 54.017 54.000 0.124 0.000 0.854 189 D CB 1.487 42.385 40.800 0.163 0.000 1.076 189 D HN 0.377 8.747 8.370 -0.000 0.000 0.533 190 V N 2.650 122.618 119.914 0.090 0.000 2.656 190 V HA 0.884 5.006 4.120 0.003 0.000 0.307 190 V C -1.204 174.995 176.094 0.176 0.000 1.051 190 V CA -0.493 61.874 62.300 0.112 0.000 0.893 190 V CB 1.589 33.475 31.823 0.104 0.000 0.999 190 V HN 0.698 8.888 8.190 -0.000 0.000 0.426 191 A N 6.130 129.051 122.820 0.169 0.000 2.355 191 A HA 0.990 5.312 4.320 0.003 0.000 0.317 191 A C -1.354 176.370 177.584 0.233 0.000 1.094 191 A CA -0.449 51.676 52.037 0.146 0.000 0.764 191 A CB 1.383 20.417 19.000 0.057 0.000 1.230 191 A HN 1.695 9.845 8.150 -0.000 0.000 0.448 192 Y N -0.821 119.489 120.300 0.017 0.000 2.638 192 Y HA 0.820 5.371 4.550 0.003 0.000 0.335 192 Y C -0.209 175.699 175.900 0.014 0.000 1.155 192 Y CA -0.622 57.488 58.100 0.017 0.000 1.046 192 Y CB 0.837 39.309 38.460 0.020 0.000 1.303 192 Y HN 0.777 9.057 8.280 -0.000 0.000 0.460 193 T N -1.649 112.966 114.554 0.102 0.000 2.942 193 T HA 0.601 4.952 4.350 0.003 0.000 0.289 193 T C -1.194 173.569 174.700 0.105 0.000 1.044 193 T CA -0.777 61.329 62.100 0.010 0.000 1.023 193 T CB 1.334 70.212 68.868 0.017 0.000 1.123 193 T HN 0.876 9.116 8.240 -0.000 0.000 0.512 194 c N 2.909 121.540 118.600 0.051 0.000 2.242 194 c HA 0.510 5.082 4.570 0.003 0.000 0.317 194 c C 0.202 174.320 174.090 0.046 0.000 1.087 194 c CA -0.779 55.597 56.329 0.077 0.000 1.535 194 c CB -1.522 41.027 42.510 0.065 0.000 1.893 194 c HN 0.841 9.071 8.230 -0.000 0.000 0.426 195 D N 0.000 120.430 120.400 0.050 0.000 6.856 195 D HA 0.000 4.642 4.640 0.003 0.000 0.175 195 D CA 0.000 54.021 54.000 0.035 0.000 0.868 195 D CB 0.000 40.821 40.800 0.036 0.000 0.688 195 D HN 0.000 8.370 8.370 -0.000 0.000 0.683