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 1s6f_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcAAN SIPYQVSLNX XSGSHFcGGS LINSQWVVSA AHcYKSRIQV DATA SEQUENCE RLXGEHNIDV LEGNEQFINA AKIITHPNFN GNTLDNDIML IKLSSPATLN DATA SEQUENCE SRVATVSLPR XScAAXAGTE cLISGWGNTK SSGSSYPSLL QcLKAPVLSD DATA SEQUENCE SScKSSYPGQ ITGNMIcVFL EGKDScQGDS GGPVVcNGQX XXXLQGIVSW DATA SEQUENCE GYXGcQKNKP GVYTKVcNYV NWIQQTIAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.173 4.170 0.006 0.000 0.288 16 I C 0.000 176.089 176.117 -0.046 0.000 1.063 16 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 16 I CB 0.000 37.944 38.000 -0.093 0.000 1.214 17 V N 6.042 125.947 119.914 -0.016 0.000 2.439 17 V HA 0.186 4.450 4.120 -0.040 -0.168 0.282 17 V C 0.504 176.592 176.094 -0.011 0.000 1.039 17 V CA -1.192 61.096 62.300 -0.020 0.000 0.913 17 V CB 1.391 33.210 31.823 -0.006 0.000 0.983 17 V HN 0.984 9.182 8.190 0.014 0.000 0.460 18 G N 6.398 115.185 108.800 -0.022 0.000 2.147 18 G HA2 -0.376 3.570 3.960 -0.023 0.000 0.244 18 G HA3 -0.376 3.767 3.960 -0.034 -0.204 0.244 18 G C -0.941 173.957 174.900 -0.003 0.000 1.005 18 G CA 0.248 45.334 45.100 -0.022 0.000 0.713 18 G HN 0.793 9.066 8.290 -0.029 0.000 0.515 19 G N -0.958 107.837 108.800 -0.009 0.000 2.782 19 G HA2 0.522 4.526 3.960 0.074 0.000 0.201 19 G HA3 0.522 4.516 3.960 -0.126 -0.110 0.201 19 G C -1.991 172.944 174.900 0.058 0.000 1.374 19 G CA -1.544 43.548 45.100 -0.013 0.000 1.039 19 G HN -0.472 7.773 8.290 -0.031 0.026 0.576 20 Y N -6.679 113.603 120.300 -0.031 0.000 2.597 20 Y HA 0.341 4.876 4.550 -0.025 0.000 0.340 20 Y C -2.050 173.834 175.900 -0.026 0.000 1.097 20 Y CA -2.308 55.777 58.100 -0.026 0.000 1.037 20 Y CB 1.496 39.944 38.460 -0.020 0.000 1.305 20 Y HN 0.408 8.328 8.280 -0.599 0.000 0.463 21 T N 3.909 118.511 114.554 0.079 0.000 2.799 21 T HA 0.016 4.453 4.350 -0.069 -0.128 0.296 21 T C 0.068 174.843 174.700 0.124 0.000 0.947 21 T CA 0.999 63.124 62.100 0.042 0.000 1.141 21 T CB -0.329 68.598 68.868 0.098 0.000 0.891 21 T HN 0.023 8.364 8.240 0.168 0.000 0.533 22 c N 7.356 125.959 118.600 0.006 0.000 2.703 22 c HA -0.191 4.454 4.570 0.126 0.000 0.411 22 c C 0.631 174.761 174.090 0.067 0.000 1.290 22 c CA -0.358 55.998 56.329 0.045 0.000 2.054 22 c CB -0.192 42.281 42.510 -0.063 0.000 2.732 22 c HN 0.138 8.320 8.230 -0.081 0.000 0.650 23 A N 2.676 125.508 122.820 0.020 0.000 2.540 23 A HA -0.091 4.180 4.320 -0.081 0.000 0.239 23 A C -0.383 177.019 177.584 -0.304 0.000 1.061 23 A CA 0.347 52.327 52.037 -0.094 0.000 0.758 23 A CB 0.754 19.729 19.000 -0.042 0.000 0.991 23 A HN 0.318 8.517 8.150 0.082 0.000 0.502 24 A N 3.424 125.935 122.820 -0.514 0.000 2.548 24 A HA -0.311 3.043 4.320 -1.611 0.000 0.247 24 A C -0.286 177.112 177.584 -0.310 0.000 1.067 24 A CA 0.527 52.104 52.037 -0.766 0.000 0.757 24 A CB -0.174 18.522 19.000 -0.506 0.000 0.996 24 A HN 0.188 8.121 8.150 -0.363 0.000 0.504 25 N N -1.780 116.800 118.700 -0.202 0.000 2.753 25 N HA -0.444 4.277 4.740 -0.032 0.000 0.251 25 N C 0.693 176.148 175.510 -0.091 0.000 1.097 25 N CA 1.789 54.791 53.050 -0.079 0.000 0.786 25 N CB -0.960 37.504 38.487 -0.039 0.000 1.137 25 N HN 0.625 8.885 8.380 -0.199 0.000 0.566 26 S N -1.399 114.233 115.700 -0.114 0.000 2.607 26 S HA -0.039 4.396 4.470 -0.058 0.000 0.224 26 S C 0.121 174.649 174.600 -0.119 0.000 0.969 26 S CA 2.317 60.467 58.200 -0.083 0.000 0.927 26 S CB 0.443 63.610 63.200 -0.055 0.000 0.772 26 S HN -0.285 7.893 8.310 -0.148 0.043 0.533 27 I N 1.070 121.510 120.570 -0.218 0.000 2.954 27 I HA 0.367 4.216 4.170 -0.535 0.000 0.312 27 I C -1.378 174.391 176.117 -0.579 0.000 1.391 27 I CA -3.884 57.120 61.300 -0.493 0.000 0.906 27 I CB -1.016 36.699 38.000 -0.475 0.000 2.079 27 I HN -0.249 7.789 8.210 -0.179 0.064 0.618 28 P HA 0.063 4.536 4.420 -0.086 -0.104 0.230 28 P C 0.661 177.918 177.300 -0.072 0.000 1.158 28 P CA 1.682 64.704 63.100 -0.129 0.000 0.769 28 P CB -0.270 31.422 31.700 -0.013 0.000 0.807 29 Y N -5.209 115.124 120.300 0.054 0.000 2.523 29 Y HA 0.371 5.098 4.550 0.068 -0.136 0.279 29 Y C -0.305 175.641 175.900 0.077 0.000 1.139 29 Y CA -2.737 55.400 58.100 0.062 0.000 1.296 29 Y CB -1.420 37.069 38.460 0.049 0.000 1.045 29 Y HN -0.370 7.411 8.280 -0.754 0.046 0.538 30 Q N 2.695 122.378 119.800 -0.194 0.000 2.289 30 Q HA 0.157 4.717 4.340 0.132 -0.140 0.273 30 Q C -0.044 176.053 176.000 0.162 0.000 1.029 30 Q CA 0.180 55.986 55.803 0.004 0.000 0.896 30 Q CB 0.568 29.210 28.738 -0.160 0.000 1.182 30 Q HN -0.535 7.237 8.270 -0.562 0.160 0.385 31 V N -0.067 119.981 119.914 0.224 0.000 3.019 31 V HA 0.768 5.151 4.120 0.245 -0.116 0.317 31 V C -1.589 174.692 176.094 0.311 0.000 1.094 31 V CA -3.582 58.855 62.300 0.229 0.000 1.000 31 V CB 3.294 35.190 31.823 0.121 0.000 1.060 31 V HN 0.485 8.803 8.190 0.212 0.000 0.443 32 S N 1.270 117.049 115.700 0.131 0.000 2.449 32 S HA 0.415 5.112 4.470 0.181 -0.119 0.310 32 S C -0.641 173.839 174.600 -0.200 0.000 1.096 32 S CA -2.007 56.177 58.200 -0.027 0.000 1.095 32 S CB 1.490 64.438 63.200 -0.420 0.000 1.007 32 S HN 0.082 8.421 8.310 0.048 0.000 0.474 33 L N 6.690 127.679 121.223 -0.391 0.000 2.276 33 L HA 0.462 4.742 4.340 -0.319 -0.131 0.286 33 L C -1.405 175.060 176.870 -0.675 0.000 1.061 33 L CA -0.685 53.816 54.840 -0.565 0.000 0.807 33 L CB 0.484 42.030 42.059 -0.855 0.000 1.177 33 L HN 0.838 8.805 8.230 -0.439 0.000 0.429 38 G N 2.078 110.845 108.800 -0.054 0.000 2.541 38 G HA2 -0.212 3.713 3.960 -0.058 0.000 0.201 38 G HA3 -0.212 3.713 3.960 -0.058 0.000 0.201 38 G C -1.391 173.479 174.900 -0.051 0.000 1.026 38 G CA -0.009 45.057 45.100 -0.056 0.000 0.687 38 G HN -0.158 8.309 8.290 -0.062 -0.214 0.492 39 S N -0.096 115.587 115.700 -0.029 0.000 2.638 39 S HA 0.186 4.620 4.470 -0.059 0.000 0.274 39 S C -1.717 172.886 174.600 0.005 0.000 1.157 39 S CA -1.495 56.689 58.200 -0.027 0.000 0.826 39 S CB 2.369 65.554 63.200 -0.024 0.000 1.139 39 S HN -0.518 7.600 8.310 -0.001 0.191 0.474 40 H N 2.795 121.788 119.070 -0.128 0.000 3.094 40 H HA -0.312 4.257 4.556 -0.267 -0.173 0.320 40 H C -0.285 175.024 175.328 -0.033 0.000 1.000 40 H CA 1.724 57.664 56.048 -0.179 0.000 1.413 40 H CB -0.105 29.502 29.762 -0.258 0.000 1.405 40 H HN 0.529 8.819 8.280 0.017 0.000 0.586 41 F N 0.924 120.405 119.950 -0.782 0.000 2.912 41 F HA 0.347 4.706 4.527 -0.280 0.000 0.357 41 F C -1.860 173.679 175.800 -0.434 0.000 1.003 41 F CA -0.423 57.306 58.000 -0.451 0.000 1.132 41 F CB 1.748 40.601 39.000 -0.246 0.000 1.055 41 F HN -0.077 7.377 8.300 -1.410 0.000 0.572 42 c N -1.506 116.341 118.600 -1.254 0.000 3.312 42 c HA 0.339 4.773 4.570 -0.227 0.000 0.332 42 c C -1.655 172.195 174.090 -0.399 0.000 1.340 42 c CA -0.114 55.844 56.329 -0.618 0.000 1.265 42 c CB 4.126 46.324 42.510 -0.520 0.000 1.563 42 c HN -0.754 6.406 8.230 -1.782 0.000 0.471 43 G N -0.802 107.979 108.800 -0.032 0.000 2.521 43 G HA2 0.759 5.025 3.960 0.240 0.000 0.323 43 G HA3 0.759 4.839 3.960 0.201 0.000 0.323 43 G C -2.219 172.702 174.900 0.036 0.000 1.211 43 G CA -1.487 43.691 45.100 0.130 0.000 0.979 43 G HN 0.698 8.977 8.290 -0.018 0.000 0.490 44 G N -3.651 105.209 108.800 0.100 0.000 2.600 44 G HA2 0.447 4.752 3.960 0.087 0.000 0.293 44 G HA3 0.447 4.449 3.960 0.070 0.000 0.293 44 G C -2.795 172.198 174.900 0.156 0.000 1.408 44 G CA 0.142 45.300 45.100 0.098 0.000 0.782 44 G HN -0.502 7.887 8.290 0.164 0.000 0.482 45 S N -0.473 115.324 115.700 0.162 0.000 2.561 45 S HA 0.753 5.596 4.470 0.296 -0.195 0.303 45 S C -1.250 173.458 174.600 0.181 0.000 1.110 45 S CA -1.059 57.268 58.200 0.212 0.000 1.034 45 S CB 3.050 66.350 63.200 0.167 0.000 1.010 45 S HN 0.466 8.857 8.310 0.134 0.000 0.482 46 L N 7.128 128.475 121.223 0.207 0.000 2.433 46 L HA 0.022 4.587 4.340 0.162 -0.127 0.275 46 L C -0.597 176.364 176.870 0.153 0.000 1.128 46 L CA 0.437 55.382 54.840 0.175 0.000 0.875 46 L CB 0.403 42.563 42.059 0.169 0.000 1.171 46 L HN 0.601 8.878 8.230 0.258 0.108 0.463 47 I N 0.103 120.757 120.570 0.140 0.000 4.139 47 I HA 0.507 4.863 4.170 0.069 -0.145 0.335 47 I C -1.144 175.035 176.117 0.103 0.000 1.327 47 I CA -0.910 60.448 61.300 0.097 0.000 1.112 47 I CB 1.357 39.399 38.000 0.069 0.000 1.058 47 I HN 0.257 8.569 8.210 0.170 0.000 0.396 48 N N -0.283 118.509 118.700 0.154 0.000 2.710 48 N HA 0.127 4.937 4.740 0.116 0.000 0.257 48 N C -0.414 175.192 175.510 0.160 0.000 1.327 48 N CA -0.114 53.034 53.050 0.164 0.000 0.861 48 N CB 3.115 41.755 38.487 0.254 0.000 1.532 48 N HN -0.820 7.669 8.380 0.182 0.000 0.499 49 S N 0.852 116.626 115.700 0.122 0.000 2.440 49 S HA -0.335 4.181 4.470 0.077 0.000 0.238 49 S C 0.798 175.431 174.600 0.055 0.000 1.010 49 S CA 2.643 60.892 58.200 0.082 0.000 0.972 49 S CB 0.074 63.310 63.200 0.061 0.000 0.774 49 S HN 0.588 8.967 8.310 0.114 0.000 0.501 50 Q N -1.762 118.082 119.800 0.073 0.000 2.247 50 Q HA 0.235 4.488 4.340 -0.146 0.000 0.211 50 Q C -1.252 174.571 176.000 -0.295 0.000 0.861 50 Q CA -0.005 55.723 55.803 -0.125 0.000 0.949 50 Q CB 1.831 30.458 28.738 -0.185 0.000 1.115 50 Q HN -0.157 8.540 8.270 0.181 -0.318 0.507 51 W N -1.964 119.342 121.300 0.010 0.000 2.998 51 W HA 0.664 5.548 4.660 0.004 -0.221 0.335 51 W C -1.488 175.045 176.519 0.022 0.000 1.110 51 W CA -0.978 56.370 57.345 0.006 0.000 1.230 51 W CB 3.826 33.276 29.460 -0.016 0.000 1.405 51 W HN -0.286 7.945 8.180 0.297 0.127 0.493 52 V N 1.831 121.906 119.914 0.267 0.000 2.459 52 V HA 0.686 5.107 4.120 0.180 -0.193 0.295 52 V C -1.695 174.523 176.094 0.207 0.000 1.029 52 V CA -1.671 60.744 62.300 0.191 0.000 0.874 52 V CB 3.062 34.955 31.823 0.117 0.000 0.985 52 V HN 0.864 9.195 8.190 0.235 0.000 0.438 53 V N 6.961 126.974 119.914 0.164 0.000 2.472 53 V HA 0.796 5.197 4.120 0.171 -0.178 0.290 53 V C -1.881 174.279 176.094 0.110 0.000 1.037 53 V CA -1.939 60.448 62.300 0.145 0.000 0.908 53 V CB 2.169 34.069 31.823 0.128 0.000 0.985 53 V HN 0.779 9.059 8.190 0.150 0.000 0.454 54 S N 7.192 122.946 115.700 0.089 0.000 2.880 54 S HA 0.480 5.187 4.470 0.046 -0.210 0.308 54 S C -2.008 172.589 174.600 -0.005 0.000 1.195 54 S CA -2.509 55.714 58.200 0.039 0.000 0.866 54 S CB 2.776 65.987 63.200 0.017 0.000 1.254 54 S HN 0.678 9.053 8.310 0.110 0.000 0.571 55 A N -0.074 122.706 122.820 -0.067 0.000 2.301 55 A HA 0.362 4.824 4.320 -0.095 -0.199 0.298 55 A C 0.692 178.137 177.584 -0.232 0.000 1.185 55 A CA -1.077 50.878 52.037 -0.137 0.000 0.830 55 A CB 1.049 19.927 19.000 -0.203 0.000 1.112 55 A HN 0.272 8.374 8.150 -0.080 0.000 0.508 56 A N 6.428 129.012 122.820 -0.393 0.000 1.978 56 A HA -0.265 3.852 4.320 -0.339 0.000 0.220 56 A C 1.660 178.896 177.584 -0.581 0.000 1.170 56 A CA 3.047 54.677 52.037 -0.678 0.000 0.636 56 A CB -0.689 17.371 19.000 -1.567 0.000 0.810 56 A HN 0.671 8.597 8.150 -0.383 -0.006 0.448 57 H N -3.962 114.884 119.070 -0.373 0.000 2.545 57 H HA -0.129 4.541 4.556 0.190 0.000 0.282 57 H C 0.523 175.922 175.328 0.118 0.000 1.020 57 H CA 2.403 58.492 56.048 0.067 0.000 1.243 57 H CB -0.623 29.293 29.762 0.256 0.000 1.377 57 H HN 0.129 8.642 8.280 -0.228 -0.369 0.581 58 c N -1.696 116.761 118.600 -0.240 0.000 2.576 58 c HA -0.038 4.574 4.570 0.070 0.000 0.267 58 c C 0.298 174.473 174.090 0.141 0.000 1.364 58 c CA -0.370 55.958 56.329 -0.002 0.000 1.723 58 c CB -2.104 40.385 42.510 -0.035 0.000 1.778 58 c HN -0.258 7.606 8.230 -0.313 0.179 0.572 59 Y N 3.120 123.416 120.300 -0.007 0.000 2.810 59 Y HA -0.283 4.282 4.550 0.025 0.000 0.332 59 Y C -0.724 175.156 175.900 -0.032 0.000 1.243 59 Y CA 1.933 60.035 58.100 0.004 0.000 1.537 59 Y CB 0.363 38.821 38.460 -0.004 0.000 1.265 59 Y HN -0.373 7.832 8.280 0.164 0.174 0.572 60 K N 7.022 126.877 120.400 -0.909 0.000 2.482 60 K HA 0.223 4.127 4.320 -0.693 0.000 0.257 60 K C -1.252 174.703 176.600 -1.074 0.000 0.969 60 K CA -0.934 54.829 56.287 -0.874 0.000 0.842 60 K CB 2.271 34.416 32.500 -0.593 0.000 1.359 60 K HN -0.022 7.707 8.250 -0.868 0.000 0.441 61 S N -1.031 114.308 115.700 -0.602 0.000 2.453 61 S HA -0.223 4.079 4.470 -0.279 0.000 0.231 61 S C -0.332 174.155 174.600 -0.188 0.000 1.005 61 S CA 1.223 59.250 58.200 -0.288 0.000 0.949 61 S CB 0.503 63.671 63.200 -0.054 0.000 0.774 61 S HN 0.330 8.396 8.310 -0.407 0.000 0.510 62 R N -0.012 120.367 120.500 -0.202 0.000 2.621 62 R HA 0.219 4.499 4.340 -0.101 0.000 0.292 62 R C -2.457 173.765 176.300 -0.129 0.000 0.969 62 R CA -0.748 55.273 56.100 -0.131 0.000 0.887 62 R CB 2.577 32.817 30.300 -0.100 0.000 1.180 62 R HN -0.409 7.681 8.270 -0.256 0.026 0.450 63 I N 0.877 121.404 120.570 -0.072 0.000 2.644 63 I HA 0.143 4.337 4.170 0.040 0.000 0.291 63 I C -2.342 173.756 176.117 -0.032 0.000 1.180 63 I CA -0.779 60.517 61.300 -0.006 0.000 1.040 63 I CB 4.080 42.101 38.000 0.036 0.000 1.255 63 I HN 0.347 8.516 8.210 -0.068 0.000 0.422 64 Q N 6.327 126.100 119.800 -0.045 0.000 2.278 64 Q HA 0.306 4.606 4.340 -0.066 0.000 0.257 64 Q C -1.464 174.462 176.000 -0.122 0.000 0.928 64 Q CA -1.247 54.502 55.803 -0.090 0.000 0.932 64 Q CB 2.579 31.232 28.738 -0.143 0.000 1.221 64 Q HN 0.501 8.758 8.270 -0.022 0.000 0.434 65 V N 7.769 127.630 119.914 -0.089 0.000 2.465 65 V HA 0.139 4.316 4.120 -0.109 -0.122 0.279 65 V C -1.106 174.944 176.094 -0.074 0.000 1.045 65 V CA 0.372 62.625 62.300 -0.078 0.000 0.938 65 V CB 0.765 32.571 31.823 -0.027 0.000 0.986 65 V HN 0.918 8.965 8.190 -0.058 0.108 0.467 66 R N 6.756 127.192 120.500 -0.107 0.000 2.275 66 R HA 0.500 5.078 4.340 0.135 -0.157 0.326 66 R C -0.909 175.442 176.300 0.085 0.000 0.973 66 R CA -1.242 54.834 56.100 -0.039 0.000 0.854 66 R CB 0.662 30.760 30.300 -0.336 0.000 1.156 66 R HN 0.818 9.014 8.270 -0.124 0.000 0.487 70 E N -1.558 118.782 120.200 0.233 0.000 2.343 70 E HA 0.049 4.530 4.350 0.218 0.000 0.269 70 E C -1.484 175.378 176.600 0.437 0.000 1.047 70 E CA -0.162 56.408 56.400 0.285 0.000 0.874 70 E CB 1.188 31.002 29.700 0.190 0.000 1.033 70 E HN -0.419 8.069 8.360 0.254 0.023 0.409 71 H N 3.355 122.582 119.070 0.262 0.000 2.067 71 H HA 0.078 4.844 4.556 0.350 0.000 0.220 71 H C -0.879 174.660 175.328 0.353 0.000 0.883 71 H CA 1.445 57.666 56.048 0.289 0.000 1.042 71 H CB 3.275 33.118 29.762 0.135 0.000 1.305 71 H HN -0.159 8.501 8.280 0.315 -0.191 0.430 72 N N 0.906 119.679 118.700 0.121 0.000 2.437 72 N HA 0.147 5.088 4.740 -0.026 -0.216 0.243 72 N C 1.737 177.243 175.510 -0.008 0.000 1.041 72 N CA -1.168 51.897 53.050 0.024 0.000 0.940 72 N CB 0.110 38.621 38.487 0.041 0.000 1.133 72 N HN -0.560 8.604 8.380 0.227 -0.647 0.506 73 I N 0.748 121.222 120.570 -0.161 0.000 3.176 73 I HA -0.125 4.208 4.170 -0.235 -0.304 0.275 73 I C -0.464 175.567 176.117 -0.142 0.000 1.298 73 I CA 1.620 62.736 61.300 -0.307 0.000 1.445 73 I CB -0.537 37.019 38.000 -0.741 0.000 1.075 73 I HN 0.423 8.541 8.210 -0.153 0.000 0.482 74 D N -2.191 118.167 120.400 -0.070 0.000 2.379 74 D HA 0.138 4.759 4.640 -0.031 0.000 0.208 74 D C -0.667 175.637 176.300 0.007 0.000 1.065 74 D CA 0.542 54.526 54.000 -0.027 0.000 0.848 74 D CB 1.893 42.681 40.800 -0.020 0.000 0.949 74 D HN -0.097 8.464 8.370 -0.061 -0.228 0.509 75 V N -0.709 119.217 119.914 0.020 0.000 2.709 75 V HA 0.078 4.214 4.120 0.026 0.000 0.308 75 V C -1.624 174.494 176.094 0.040 0.000 1.062 75 V CA -1.641 60.677 62.300 0.030 0.000 0.901 75 V CB 3.752 35.594 31.823 0.032 0.000 1.003 75 V HN -0.730 7.553 8.190 0.016 -0.083 0.425 76 L N 5.757 126.993 121.223 0.023 0.000 2.385 76 L HA -0.166 4.348 4.340 -0.007 -0.179 0.281 76 L C 0.128 176.997 176.870 -0.001 0.000 1.106 76 L CA 0.613 55.448 54.840 -0.008 0.000 0.856 76 L CB -0.818 41.211 42.059 -0.051 0.000 1.186 76 L HN 0.378 8.619 8.230 0.018 0.000 0.453 77 E N 4.939 125.146 120.200 0.012 0.000 2.364 77 E HA 0.059 4.424 4.350 0.026 0.000 0.196 77 E C 0.908 177.511 176.600 0.004 0.000 0.990 77 E CA 0.169 56.584 56.400 0.025 0.000 0.886 77 E CB 0.628 30.366 29.700 0.062 0.000 0.866 77 E HN 0.441 9.331 8.360 0.017 -0.520 0.493 78 G N -2.176 106.611 108.800 -0.020 0.000 2.192 78 G HA2 -0.319 3.606 3.960 -0.058 0.000 0.193 78 G HA3 -0.319 3.627 3.960 -0.024 0.000 0.193 78 G C -0.137 174.745 174.900 -0.030 0.000 0.999 78 G CA 0.384 45.464 45.100 -0.034 0.000 0.659 78 G HN -0.006 8.466 8.290 -0.035 -0.202 0.503 79 N N -1.562 117.130 118.700 -0.013 0.000 2.220 79 N HA -0.024 4.711 4.740 -0.008 0.000 0.195 79 N C -0.770 174.738 175.510 -0.003 0.000 1.123 79 N CA -0.287 52.763 53.050 -0.001 0.000 0.874 79 N CB 0.587 39.089 38.487 0.025 0.000 0.995 79 N HN 0.232 8.612 8.380 -0.000 0.000 0.498 80 E N -0.320 119.858 120.200 -0.037 0.000 2.398 80 E HA 0.079 4.687 4.350 0.072 -0.215 0.263 80 E C -0.352 176.195 176.600 -0.088 0.000 1.046 80 E CA 0.726 57.105 56.400 -0.036 0.000 0.908 80 E CB -0.037 29.571 29.700 -0.153 0.000 0.963 80 E HN -0.302 8.022 8.360 -0.060 0.000 0.431 81 Q N 1.761 121.583 119.800 0.038 0.000 2.310 81 Q HA 0.262 4.572 4.340 -0.049 0.000 0.270 81 Q C -1.248 174.916 176.000 0.273 0.000 1.025 81 Q CA -1.307 54.526 55.803 0.051 0.000 0.772 81 Q CB 2.581 31.352 28.738 0.056 0.000 1.253 81 Q HN 0.296 8.554 8.270 0.144 0.098 0.450 82 F N 4.072 124.010 119.950 -0.019 0.000 2.388 82 F HA 0.837 5.522 4.527 -0.030 -0.176 0.358 82 F C 0.088 175.872 175.800 -0.027 0.000 1.122 82 F CA -3.039 54.944 58.000 -0.027 0.000 1.056 82 F CB 1.035 40.016 39.000 -0.031 0.000 1.155 82 F HN 0.337 8.701 8.300 0.106 0.000 0.461 83 I N 4.746 125.395 120.570 0.131 0.000 2.500 83 I HA 0.130 4.330 4.170 0.050 0.000 0.286 83 I C -1.488 174.631 176.117 0.004 0.000 1.063 83 I CA -1.031 60.299 61.300 0.049 0.000 1.062 83 I CB 3.011 41.027 38.000 0.027 0.000 1.223 83 I HN 1.013 9.285 8.210 0.104 0.000 0.435 84 N N 7.137 125.833 118.700 -0.007 0.000 2.492 84 N HA -0.047 4.785 4.740 -0.036 -0.114 0.260 84 N C -0.314 175.165 175.510 -0.051 0.000 1.215 84 N CA -0.052 52.980 53.050 -0.031 0.000 0.923 84 N CB 0.626 39.097 38.487 -0.026 0.000 1.092 84 N HN 0.605 8.988 8.380 0.005 0.000 0.448 85 A N 2.088 124.874 122.820 -0.057 0.000 2.488 85 A HA 0.033 4.417 4.320 -0.099 -0.124 0.249 85 A C -0.758 176.780 177.584 -0.075 0.000 1.083 85 A CA 0.640 52.632 52.037 -0.074 0.000 0.768 85 A CB 0.371 19.339 19.000 -0.053 0.000 1.017 85 A HN 0.357 8.477 8.150 -0.050 0.000 0.496 86 A N 4.381 127.136 122.820 -0.108 0.000 2.014 86 A HA 0.120 4.401 4.320 -0.065 0.000 0.210 86 A C -0.146 177.392 177.584 -0.076 0.000 1.188 86 A CA 1.184 53.164 52.037 -0.094 0.000 0.731 86 A CB 1.239 20.164 19.000 -0.126 0.000 0.858 86 A HN 0.862 8.814 8.150 -0.154 0.106 0.464 87 K N -2.180 118.161 120.400 -0.099 0.000 2.501 87 K HA 0.275 4.607 4.320 0.020 0.000 0.252 87 K C -2.291 174.328 176.600 0.031 0.000 0.934 87 K CA -0.906 55.367 56.287 -0.023 0.000 0.797 87 K CB 3.916 36.401 32.500 -0.025 0.000 1.270 87 K HN -0.646 7.506 8.250 -0.163 0.000 0.431 88 I N 2.690 123.337 120.570 0.128 0.000 2.468 88 I HA 0.542 4.988 4.170 0.193 -0.160 0.284 88 I C -0.874 175.410 176.117 0.278 0.000 1.038 88 I CA -0.817 60.611 61.300 0.214 0.000 1.083 88 I CB 1.691 39.825 38.000 0.224 0.000 1.223 88 I HN 0.274 8.566 8.210 0.137 0.000 0.443 89 I N 9.458 130.196 120.570 0.281 0.000 2.420 89 I HA 0.324 4.621 4.170 0.211 0.000 0.282 89 I C -0.737 175.572 176.117 0.321 0.000 1.019 89 I CA -1.306 60.158 61.300 0.273 0.000 1.130 89 I CB 1.738 39.903 38.000 0.276 0.000 1.262 89 I HN 1.021 9.410 8.210 0.299 0.000 0.454 90 T N 6.259 120.925 114.554 0.188 0.000 2.913 90 T HA -0.037 4.375 4.350 0.103 0.000 0.297 90 T C -0.135 174.639 174.700 0.123 0.000 1.029 90 T CA -0.914 61.246 62.100 0.100 0.000 1.104 90 T CB 0.996 69.827 68.868 -0.062 0.000 0.964 90 T HN 0.369 8.668 8.240 0.099 0.000 0.532 91 H N 5.070 124.015 119.070 -0.210 0.000 3.001 91 H HA -0.091 3.925 4.556 -0.901 0.000 0.334 91 H C 0.693 175.920 175.328 -0.167 0.000 1.034 91 H CA 1.085 56.798 56.048 -0.559 0.000 1.420 91 H CB 1.304 30.587 29.762 -0.798 0.000 1.405 91 H HN -0.066 8.155 8.280 -0.098 0.000 0.593 92 P HA -0.114 4.292 4.420 -0.024 0.000 0.222 92 P C -0.477 176.843 177.300 0.032 0.000 1.147 92 P CA 1.711 64.738 63.100 -0.121 0.000 0.790 92 P CB 0.398 32.013 31.700 -0.143 0.000 0.780 93 N N -3.038 115.805 118.700 0.238 0.000 2.238 93 N HA 0.051 4.856 4.740 0.107 0.000 0.222 93 N C -0.608 175.028 175.510 0.210 0.000 1.133 93 N CA -0.348 52.840 53.050 0.230 0.000 0.854 93 N CB 0.376 38.992 38.487 0.216 0.000 1.041 93 N HN -0.472 8.169 8.380 0.478 0.026 0.510 94 F N 3.380 123.373 119.950 0.072 0.000 2.593 94 F HA -0.282 4.432 4.527 -0.045 -0.214 0.393 94 F C -0.268 175.522 175.800 -0.016 0.000 1.037 94 F CA 1.134 59.129 58.000 -0.009 0.000 1.195 94 F CB 0.131 39.124 39.000 -0.012 0.000 1.034 94 F HN -0.627 7.729 8.300 0.387 0.176 0.552 95 N N 8.251 126.572 118.700 -0.632 0.000 2.501 95 N HA 0.116 4.542 4.740 -0.523 0.000 0.245 95 N C -0.421 174.412 175.510 -1.128 0.000 0.974 95 N CA -1.179 51.472 53.050 -0.666 0.000 0.941 95 N CB 1.822 40.115 38.487 -0.324 0.000 1.122 95 N HN 0.140 8.306 8.380 -0.356 0.000 0.507 96 G N 5.639 113.788 108.800 -1.084 0.000 2.498 96 G HA2 -0.316 3.078 3.960 -0.943 0.000 0.219 96 G HA3 -0.316 3.389 3.960 -0.425 0.000 0.219 96 G C 0.475 175.160 174.900 -0.358 0.000 1.119 96 G CA 1.680 46.343 45.100 -0.729 0.000 0.766 96 G HN 0.622 8.422 8.290 -0.816 0.000 0.552 97 N N 0.940 119.442 118.700 -0.330 0.000 2.319 97 N HA 0.020 4.638 4.740 -0.203 0.000 0.189 97 N C 1.789 177.127 175.510 -0.286 0.000 1.042 97 N CA 1.354 54.258 53.050 -0.244 0.000 0.879 97 N CB 0.569 38.940 38.487 -0.193 0.000 1.052 97 N HN -0.074 8.310 8.380 -0.374 -0.227 0.446 98 T N -0.657 113.723 114.554 -0.291 0.000 3.055 98 T HA -0.179 3.951 4.350 -0.366 0.000 0.265 98 T C 0.735 175.225 174.700 -0.350 0.000 1.111 98 T CA 1.583 63.495 62.100 -0.313 0.000 1.118 98 T CB 0.953 69.692 68.868 -0.214 0.000 0.909 98 T HN -0.368 8.024 8.240 -0.275 -0.316 0.501 99 L N -3.239 117.826 121.223 -0.263 0.000 4.232 99 L HA -0.463 4.025 4.340 0.081 -0.099 0.415 99 L C -1.555 175.371 176.870 0.093 0.000 1.168 99 L CA 0.308 55.129 54.840 -0.032 0.000 0.966 99 L CB -2.714 39.313 42.059 -0.053 0.000 2.052 99 L HN -0.381 7.597 8.230 -0.324 0.058 0.887 100 D N -0.808 119.587 120.400 -0.007 0.000 2.443 100 D HA -0.190 4.513 4.640 0.105 0.000 0.239 100 D C 0.349 176.721 176.300 0.120 0.000 1.136 100 D CA 1.392 55.425 54.000 0.055 0.000 0.879 100 D CB 1.095 41.892 40.800 -0.005 0.000 1.195 100 D HN -0.662 7.594 8.370 -0.116 0.044 0.443 101 N N -0.232 118.524 118.700 0.093 0.000 2.738 101 N HA -0.505 4.205 4.740 -0.051 0.000 0.249 101 N C -1.184 174.328 175.510 0.004 0.000 1.047 101 N CA 1.375 54.395 53.050 -0.051 0.000 0.707 101 N CB -1.220 37.111 38.487 -0.261 0.000 0.937 101 N HN 0.557 9.002 8.380 0.109 0.000 0.545 102 D N -0.981 119.471 120.400 0.087 0.000 2.551 102 D HA 0.028 4.651 4.640 -0.029 0.000 0.223 102 D C -1.655 174.547 176.300 -0.164 0.000 1.144 102 D CA -0.223 53.806 54.000 0.049 0.000 1.025 102 D CB -0.662 40.300 40.800 0.270 0.000 1.085 102 D HN -0.203 8.244 8.370 0.129 0.000 0.506 103 I N 2.927 123.305 120.570 -0.319 0.000 2.692 103 I HA 0.716 4.994 4.170 -0.162 -0.205 0.293 103 I C -3.025 173.007 176.117 -0.142 0.000 1.200 103 I CA -1.493 59.644 61.300 -0.272 0.000 1.036 103 I CB 3.821 41.518 38.000 -0.504 0.000 1.258 103 I HN -0.030 7.930 8.210 -0.357 0.036 0.421 104 M N 5.127 124.761 119.600 0.056 0.000 2.575 104 M HA 0.784 5.630 4.480 0.417 -0.116 0.284 104 M C -2.727 173.751 176.300 0.296 0.000 1.253 104 M CA -1.163 54.276 55.300 0.232 0.000 0.861 104 M CB 4.744 37.418 32.600 0.123 0.000 1.733 104 M HN 0.524 8.760 8.290 0.055 0.087 0.462 105 L N -0.124 121.310 121.223 0.351 0.000 2.346 105 L HA 0.857 5.556 4.340 0.294 -0.183 0.276 105 L C -1.287 175.806 176.870 0.371 0.000 1.006 105 L CA -1.460 53.577 54.840 0.328 0.000 0.817 105 L CB 3.561 45.724 42.059 0.173 0.000 1.272 105 L HN 0.666 9.040 8.230 0.413 0.104 0.421 106 I N 2.204 122.970 120.570 0.326 0.000 2.382 106 I HA 0.563 4.992 4.170 0.107 -0.195 0.286 106 I C -1.522 174.543 176.117 -0.087 0.000 1.002 106 I CA -1.353 60.023 61.300 0.126 0.000 1.135 106 I CB 2.540 40.582 38.000 0.069 0.000 1.288 106 I HN 0.870 9.300 8.210 0.367 0.000 0.448 107 K N 7.776 127.879 120.400 -0.495 0.000 2.227 107 K HA 0.577 4.221 4.320 -1.449 -0.193 0.280 107 K C -0.748 175.552 176.600 -0.500 0.000 1.041 107 K CA -1.551 54.115 56.287 -1.034 0.000 0.905 107 K CB 2.192 33.885 32.500 -1.346 0.000 1.068 107 K HN 0.768 8.725 8.250 -0.300 0.113 0.470 108 L N 6.936 127.910 121.223 -0.415 0.000 2.426 108 L HA -0.057 4.185 4.340 -0.163 0.000 0.271 108 L C 0.773 177.523 176.870 -0.200 0.000 1.169 108 L CA 0.469 55.175 54.840 -0.223 0.000 0.836 108 L CB 0.214 42.181 42.059 -0.153 0.000 1.112 108 L HN 0.518 8.329 8.230 -0.521 0.107 0.465 109 S N 3.230 118.854 115.700 -0.126 0.000 2.447 109 S HA -0.220 4.184 4.470 -0.110 0.000 0.233 109 S C -0.119 174.435 174.600 -0.076 0.000 1.006 109 S CA 2.269 60.412 58.200 -0.095 0.000 0.957 109 S CB 0.482 63.645 63.200 -0.063 0.000 0.773 109 S HN 0.603 8.852 8.310 -0.101 0.000 0.507 110 S N 1.527 117.187 115.700 -0.067 0.000 2.564 110 S HA 0.305 4.744 4.470 -0.052 0.000 0.274 110 S C -2.910 171.660 174.600 -0.049 0.000 1.124 110 S CA -2.271 55.899 58.200 -0.049 0.000 0.869 110 S CB 1.081 64.265 63.200 -0.027 0.000 1.105 110 S HN -0.617 7.623 8.310 -0.069 0.029 0.472 111 P HA -0.033 4.484 4.420 -0.039 -0.120 0.271 111 P C -1.152 176.146 177.300 -0.004 0.000 1.216 111 P CA -0.183 62.904 63.100 -0.022 0.000 0.776 111 P CB 0.352 32.049 31.700 -0.005 0.000 0.881 112 A N 2.524 125.349 122.820 0.008 0.000 2.462 112 A HA 0.079 4.528 4.320 0.023 -0.116 0.243 112 A C -0.079 177.521 177.584 0.027 0.000 1.076 112 A CA -0.535 51.517 52.037 0.025 0.000 0.773 112 A CB 0.887 19.912 19.000 0.042 0.000 1.010 112 A HN 0.442 8.490 8.150 0.008 0.107 0.493 113 T N 1.192 115.761 114.554 0.024 0.000 2.780 113 T HA -0.020 4.343 4.350 0.023 0.000 0.294 113 T C -0.460 174.259 174.700 0.031 0.000 0.949 113 T CA -0.538 61.576 62.100 0.023 0.000 1.074 113 T CB 0.636 69.513 68.868 0.014 0.000 0.910 113 T HN -0.017 8.559 8.240 0.023 -0.322 0.501 114 L N 7.697 128.940 121.223 0.034 0.000 2.276 114 L HA 0.321 4.865 4.340 0.047 -0.177 0.286 114 L C -0.637 176.252 176.870 0.032 0.000 1.061 114 L CA -0.626 54.239 54.840 0.040 0.000 0.807 114 L CB 0.152 42.238 42.059 0.045 0.000 1.177 114 L HN 0.359 8.608 8.230 0.031 0.000 0.429 115 N N 4.956 123.675 118.700 0.033 0.000 3.506 115 N HA 0.215 4.969 4.740 0.024 0.000 0.331 115 N C -0.302 175.225 175.510 0.028 0.000 1.631 115 N CA -0.775 52.290 53.050 0.026 0.000 0.786 115 N CB 0.351 38.850 38.487 0.019 0.000 2.023 115 N HN 0.285 8.688 8.380 0.039 0.000 0.621 116 S N -2.239 113.474 115.700 0.021 0.000 2.423 116 S HA -0.193 4.291 4.470 0.024 0.000 0.231 116 S C 0.684 175.294 174.600 0.017 0.000 1.014 116 S CA 2.623 60.834 58.200 0.019 0.000 0.965 116 S CB -0.191 63.015 63.200 0.011 0.000 0.785 116 S HN 0.258 8.577 8.310 0.016 0.000 0.495 117 R N -2.260 118.251 120.500 0.018 0.000 2.308 117 R HA 0.218 4.560 4.340 0.004 0.000 0.202 117 R C -0.900 175.417 176.300 0.029 0.000 0.898 117 R CA -1.426 54.684 56.100 0.016 0.000 1.046 117 R CB 1.408 31.720 30.300 0.019 0.000 1.026 117 R HN -0.472 8.005 8.270 0.019 -0.195 0.512 118 V N -0.968 118.970 119.914 0.040 0.000 2.419 118 V HA 0.421 4.781 4.120 0.062 -0.204 0.287 118 V C -2.342 173.793 176.094 0.069 0.000 1.017 118 V CA -1.360 60.975 62.300 0.058 0.000 0.844 118 V CB 1.877 33.735 31.823 0.057 0.000 1.011 118 V HN -0.468 7.774 8.190 0.037 -0.029 0.429 119 A N 6.874 129.751 122.820 0.095 0.000 2.556 119 A HA 0.533 4.908 4.320 0.091 0.000 0.294 119 A C -2.493 175.188 177.584 0.162 0.000 1.091 119 A CA -1.379 50.726 52.037 0.114 0.000 0.704 119 A CB 3.126 22.197 19.000 0.117 0.000 1.300 119 A HN 0.139 8.229 8.150 0.103 0.122 0.406 120 T N -1.776 112.857 114.554 0.132 0.000 2.882 120 T HA 0.350 4.985 4.350 0.152 -0.194 0.287 120 T C -0.144 174.622 174.700 0.111 0.000 1.014 120 T CA -0.915 61.261 62.100 0.127 0.000 1.049 120 T CB 1.385 70.304 68.868 0.086 0.000 1.001 120 T HN -0.082 8.220 8.240 0.103 0.000 0.525 121 V N 1.624 121.558 119.914 0.033 0.000 2.628 121 V HA 0.234 4.299 4.120 -0.092 0.000 0.306 121 V C -1.184 174.857 176.094 -0.088 0.000 1.045 121 V CA -2.329 59.894 62.300 -0.128 0.000 0.905 121 V CB 2.547 34.058 31.823 -0.520 0.000 0.997 121 V HN 0.330 8.551 8.190 0.051 0.000 0.436 122 S N 7.095 122.745 115.700 -0.083 0.000 2.572 122 S HA 0.059 4.512 4.470 -0.027 0.000 0.279 122 S C -0.575 173.993 174.600 -0.055 0.000 1.341 122 S CA 0.864 59.034 58.200 -0.050 0.000 1.043 122 S CB 0.730 63.906 63.200 -0.040 0.000 0.887 122 S HN -0.111 8.143 8.310 -0.094 0.000 0.516 123 L N 3.220 124.427 121.223 -0.027 0.000 2.456 123 L HA 0.055 4.387 4.340 -0.013 0.000 0.257 123 L C -1.436 175.427 176.870 -0.012 0.000 1.162 123 L CA -1.587 53.246 54.840 -0.011 0.000 0.808 123 L CB -0.319 41.744 42.059 0.006 0.000 1.136 123 L HN 0.267 8.485 8.230 -0.019 0.000 0.466 124 P HA -0.046 4.506 4.420 -0.016 -0.141 0.268 124 P C -1.052 176.246 177.300 -0.004 0.000 1.204 124 P CA -0.289 62.808 63.100 -0.005 0.000 0.768 124 P CB 0.327 32.031 31.700 0.007 0.000 0.842 128 c N 1.334 119.928 118.600 -0.009 0.000 2.644 128 c HA -0.022 4.675 4.570 -0.004 -0.129 0.417 128 c C 0.359 174.441 174.090 -0.013 0.000 1.304 128 c CA -0.893 55.431 56.329 -0.009 0.000 2.035 128 c CB -0.153 42.351 42.510 -0.010 0.000 2.673 128 c HN 0.037 8.260 8.230 -0.011 0.000 0.602 129 A N 4.561 127.370 122.820 -0.017 0.000 2.450 129 A HA -0.038 4.268 4.320 -0.024 0.000 0.255 129 A C -0.673 176.896 177.584 -0.024 0.000 1.096 129 A CA 0.020 52.042 52.037 -0.025 0.000 0.778 129 A CB 0.503 19.481 19.000 -0.037 0.000 1.031 129 A HN 0.239 8.502 8.150 -0.015 -0.122 0.494 133 G N 1.456 110.225 108.800 -0.051 0.000 2.199 133 G HA2 -0.376 3.547 3.960 -0.063 0.000 0.254 133 G HA3 -0.376 3.563 3.960 -0.035 0.000 0.254 133 G C -0.119 174.754 174.900 -0.046 0.000 0.982 133 G CA -0.047 45.024 45.100 -0.049 0.000 0.632 133 G HN 0.793 8.927 8.290 -0.064 0.118 0.529 134 T N 3.590 118.116 114.554 -0.047 0.000 2.908 134 T HA -0.219 4.113 4.350 -0.031 0.000 0.301 134 T C -0.337 174.332 174.700 -0.052 0.000 1.019 134 T CA 2.184 64.259 62.100 -0.042 0.000 1.152 134 T CB 0.403 69.245 68.868 -0.043 0.000 0.966 134 T HN -0.411 7.721 8.240 -0.048 0.079 0.540 135 E N 5.826 126.006 120.200 -0.034 0.000 2.289 135 E HA 0.078 4.405 4.350 -0.038 0.000 0.278 135 E C -0.686 175.897 176.600 -0.028 0.000 1.032 135 E CA -0.007 56.377 56.400 -0.025 0.000 0.854 135 E CB 0.624 30.325 29.700 0.002 0.000 1.046 135 E HN 0.131 8.477 8.360 -0.023 0.000 0.409 136 c N 2.306 120.883 118.600 -0.038 0.000 2.973 136 c HA 0.672 5.352 4.570 -0.029 -0.127 0.329 136 c C -1.644 172.444 174.090 -0.004 0.000 1.327 136 c CA -1.484 54.820 56.329 -0.041 0.000 1.632 136 c CB 4.309 46.755 42.510 -0.105 0.000 2.098 136 c HN 0.890 8.982 8.230 -0.046 0.109 0.469 137 L N 0.775 122.002 121.223 0.006 0.000 2.349 137 L HA 0.876 5.431 4.340 0.048 -0.186 0.278 137 L C -2.207 174.670 176.870 0.011 0.000 0.996 137 L CA -1.372 53.490 54.840 0.037 0.000 0.825 137 L CB 3.304 45.414 42.059 0.085 0.000 1.243 137 L HN 0.723 8.840 8.230 -0.006 0.108 0.412 138 I N 7.256 127.817 120.570 -0.015 0.000 2.441 138 I HA 0.869 5.268 4.170 -0.006 -0.232 0.295 138 I C -1.192 174.895 176.117 -0.049 0.000 0.994 138 I CA -1.645 59.643 61.300 -0.020 0.000 1.144 138 I CB 1.817 39.805 38.000 -0.019 0.000 1.314 138 I HN 0.932 9.138 8.210 -0.007 0.000 0.445 139 S N 2.791 118.462 115.700 -0.048 0.000 2.588 139 S HA 0.975 5.482 4.470 -0.210 -0.163 0.275 139 S C -1.144 173.357 174.600 -0.165 0.000 1.130 139 S CA -1.635 56.467 58.200 -0.163 0.000 0.855 139 S CB 3.726 66.790 63.200 -0.226 0.000 1.116 139 S HN -0.156 8.160 8.310 0.010 0.000 0.472 140 G N -0.923 107.684 108.800 -0.323 0.000 2.315 140 G HA2 0.178 3.869 3.960 -0.449 0.000 0.294 140 G HA3 0.178 4.236 3.960 -0.051 -0.128 0.294 140 G C -2.216 172.430 174.900 -0.425 0.000 1.300 140 G CA 0.642 45.555 45.100 -0.311 0.000 0.843 140 G HN 0.115 8.148 8.290 -0.428 0.000 0.527 141 W N 0.887 122.103 121.300 -0.140 0.000 3.067 141 W HA 0.345 4.898 4.660 -0.177 0.000 0.417 141 W C -0.178 176.301 176.519 -0.067 0.000 1.029 141 W CA -0.873 56.324 57.345 -0.247 0.000 1.992 141 W CB 0.187 29.267 29.460 -0.633 0.000 1.122 141 W HN 0.542 8.883 8.180 0.269 0.000 0.681 142 G N 0.832 109.750 108.800 0.196 0.000 2.588 142 G HA2 -0.054 4.221 3.960 0.476 0.000 0.278 142 G HA3 -0.054 4.169 3.960 0.222 -0.130 0.278 142 G C -1.025 173.887 174.900 0.020 0.000 1.307 142 G CA -0.792 44.462 45.100 0.257 0.000 1.016 142 G HN -0.276 8.318 8.290 0.109 -0.239 0.503 143 N N -0.445 118.150 118.700 -0.175 0.000 2.356 143 N HA -0.321 3.968 4.740 -1.043 -0.175 0.252 143 N C 0.836 176.198 175.510 -0.247 0.000 1.241 143 N CA 0.883 53.608 53.050 -0.542 0.000 0.861 143 N CB 0.604 38.829 38.487 -0.438 0.000 1.075 143 N HN 0.095 8.506 8.380 0.051 0.000 0.461 144 T N -1.225 113.182 114.554 -0.244 0.000 3.069 144 T HA 0.199 4.620 4.350 -0.104 -0.134 0.252 144 T C 0.143 174.780 174.700 -0.105 0.000 1.053 144 T CA 0.177 62.196 62.100 -0.135 0.000 0.964 144 T CB 0.950 69.753 68.868 -0.108 0.000 1.005 144 T HN 0.425 8.465 8.240 -0.334 0.000 0.532 145 K N 2.495 122.821 120.400 -0.125 0.000 2.182 145 K HA 0.231 4.516 4.320 -0.059 0.000 0.262 145 K C 0.387 176.951 176.600 -0.059 0.000 0.957 145 K CA -1.360 54.880 56.287 -0.080 0.000 0.842 145 K CB 1.535 33.988 32.500 -0.078 0.000 1.099 145 K HN -0.639 7.757 8.250 -0.188 -0.260 0.438 146 S N 3.581 119.261 115.700 -0.035 0.000 2.478 146 S HA -0.084 4.375 4.470 -0.018 0.000 0.222 146 S C 0.402 174.992 174.600 -0.017 0.000 1.008 146 S CA 1.051 59.239 58.200 -0.020 0.000 0.928 146 S CB 0.553 63.747 63.200 -0.009 0.000 0.781 146 S HN 0.341 8.632 8.310 -0.032 0.000 0.518 147 S N 1.513 117.203 115.700 -0.018 0.000 2.594 147 S HA 0.106 4.571 4.470 -0.009 0.000 0.322 147 S C -1.030 173.562 174.600 -0.013 0.000 1.085 147 S CA -1.303 56.890 58.200 -0.012 0.000 1.116 147 S CB 0.006 63.202 63.200 -0.007 0.000 0.979 147 S HN -0.573 7.724 8.310 -0.023 0.000 0.465 148 G N 4.846 113.641 108.800 -0.008 0.000 2.568 148 G HA2 -0.235 3.732 3.960 0.011 0.000 0.222 148 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.222 148 G C -2.318 172.573 174.900 -0.014 0.000 1.321 148 G CA -0.465 44.634 45.100 -0.001 0.000 0.893 148 G HN 0.137 8.424 8.290 -0.005 0.000 0.569 149 S N -1.257 114.437 115.700 -0.011 0.000 2.540 149 S HA 0.109 4.685 4.470 -0.144 -0.192 0.275 149 S C -1.783 172.772 174.600 -0.073 0.000 1.123 149 S CA -1.095 57.068 58.200 -0.062 0.000 0.907 149 S CB 2.865 66.103 63.200 0.064 0.000 1.081 149 S HN -0.202 8.113 8.310 0.008 0.000 0.476 150 S N 1.094 116.660 115.700 -0.224 0.000 2.668 150 S HA 0.248 4.716 4.470 -0.003 0.000 0.277 150 S C -2.188 172.206 174.600 -0.342 0.000 1.170 150 S CA -0.688 57.425 58.200 -0.145 0.000 0.994 150 S CB 1.982 65.135 63.200 -0.079 0.000 1.051 150 S HN 0.714 9.186 8.310 -0.392 -0.397 0.484 151 Y N 5.946 126.267 120.300 0.034 0.000 2.335 151 Y HA 0.195 4.775 4.550 0.050 0.000 0.339 151 Y C -1.273 174.648 175.900 0.035 0.000 0.987 151 Y CA -2.770 55.356 58.100 0.044 0.000 1.140 151 Y CB 0.720 39.213 38.460 0.055 0.000 1.173 151 Y HN 0.118 8.530 8.280 0.220 0.000 0.486 152 P HA 0.161 4.615 4.420 0.057 0.000 0.278 152 P C -1.023 176.363 177.300 0.144 0.000 1.238 152 P CA -0.996 62.159 63.100 0.093 0.000 0.794 152 P CB 1.300 33.023 31.700 0.040 0.000 0.955 153 S N -0.817 114.935 115.700 0.087 0.000 2.414 153 S HA -0.062 4.531 4.470 0.031 -0.104 0.227 153 S C -0.345 174.327 174.600 0.121 0.000 1.022 153 S CA 2.144 60.382 58.200 0.063 0.000 0.958 153 S CB 0.852 64.061 63.200 0.016 0.000 0.797 153 S HN 0.333 8.675 8.310 0.054 0.000 0.493 154 L N -1.181 120.060 121.223 0.030 0.000 2.325 154 L HA 0.393 4.721 4.340 -0.362 -0.206 0.279 154 L C -0.379 176.350 176.870 -0.235 0.000 1.054 154 L CA -1.485 53.226 54.840 -0.216 0.000 0.804 154 L CB 1.567 43.449 42.059 -0.294 0.000 1.200 154 L HN -0.692 7.545 8.230 0.012 0.000 0.436 155 L N 2.616 123.574 121.223 -0.441 0.000 2.513 155 L HA -0.105 3.297 4.340 -1.563 0.000 0.272 155 L C -0.838 175.765 176.870 -0.445 0.000 1.187 155 L CA 0.862 55.214 54.840 -0.813 0.000 0.895 155 L CB 0.695 42.361 42.059 -0.656 0.000 1.147 155 L HN -0.140 7.784 8.230 -0.510 0.000 0.483 156 Q N 5.416 124.922 119.800 -0.489 0.000 2.226 156 Q HA 0.528 4.824 4.340 -0.324 -0.149 0.256 156 Q C -0.950 174.797 176.000 -0.423 0.000 0.962 156 Q CA -1.816 53.764 55.803 -0.372 0.000 0.887 156 Q CB 2.378 30.950 28.738 -0.277 0.000 1.282 156 Q HN -0.056 7.830 8.270 -0.640 0.000 0.449 157 c N -0.240 118.019 118.600 -0.569 0.000 2.802 157 c HA 0.937 5.449 4.570 -0.394 -0.178 0.307 157 c C -1.823 171.862 174.090 -0.676 0.000 1.222 157 c CA -0.724 55.211 56.329 -0.657 0.000 1.580 157 c CB 4.125 46.103 42.510 -0.887 0.000 2.119 157 c HN 0.817 8.655 8.230 -0.654 0.000 0.479 158 L N 0.937 121.989 121.223 -0.285 0.000 2.505 158 L HA 0.426 4.783 4.340 0.028 0.000 0.266 158 L C -2.306 174.630 176.870 0.111 0.000 0.954 158 L CA -0.170 54.653 54.840 -0.029 0.000 0.852 158 L CB 4.576 46.647 42.059 0.021 0.000 1.282 158 L HN 0.499 8.611 8.230 -0.197 0.000 0.403 159 K N 6.438 126.987 120.400 0.247 0.000 2.234 159 K HA 0.647 5.246 4.320 0.153 -0.187 0.282 159 K C -1.000 175.765 176.600 0.275 0.000 1.039 159 K CA -0.999 55.419 56.287 0.219 0.000 0.928 159 K CB 0.171 32.800 32.500 0.215 0.000 1.039 159 K HN 0.315 8.761 8.250 0.325 0.000 0.470 160 A N 3.372 126.270 122.820 0.130 0.000 2.566 160 A HA 0.506 4.844 4.320 0.030 0.000 0.297 160 A C -3.504 173.981 177.584 -0.166 0.000 1.059 160 A CA -1.795 50.229 52.037 -0.021 0.000 0.691 160 A CB 2.751 21.724 19.000 -0.046 0.000 1.282 160 A HN 0.791 8.979 8.150 0.063 0.000 0.401 161 P HA 0.616 5.162 4.420 -0.139 -0.210 0.284 161 P C -0.838 176.324 177.300 -0.230 0.000 1.258 161 P CA -1.524 61.445 63.100 -0.219 0.000 0.824 161 P CB 1.426 33.005 31.700 -0.201 0.000 1.038 162 V N 1.547 121.368 119.914 -0.156 0.000 2.599 162 V HA -0.240 3.795 4.120 -0.142 0.000 0.300 162 V C 0.169 176.198 176.094 -0.109 0.000 1.034 162 V CA 1.373 63.597 62.300 -0.127 0.000 1.115 162 V CB -0.041 31.729 31.823 -0.089 0.000 0.934 162 V HN 0.212 8.327 8.190 -0.125 0.000 0.485 163 L N 7.299 128.467 121.223 -0.091 0.000 2.399 163 L HA 0.247 4.539 4.340 -0.080 0.000 0.266 163 L C -0.220 176.629 176.870 -0.035 0.000 1.114 163 L CA -1.029 53.770 54.840 -0.067 0.000 0.804 163 L CB 0.647 42.672 42.059 -0.056 0.000 1.146 163 L HN 0.284 8.358 8.230 -0.084 0.106 0.451 164 S N -0.339 115.345 115.700 -0.027 0.000 2.563 164 S HA -0.170 4.292 4.470 -0.014 0.000 0.284 164 S C 0.664 175.264 174.600 -0.000 0.000 1.331 164 S CA -0.709 57.483 58.200 -0.013 0.000 1.047 164 S CB 1.250 64.444 63.200 -0.011 0.000 0.859 164 S HN 0.245 8.536 8.310 -0.032 0.000 0.514 165 D N 2.669 123.072 120.400 0.005 0.000 2.218 165 D HA -0.313 4.341 4.640 0.024 0.000 0.204 165 D C 1.915 178.228 176.300 0.022 0.000 0.976 165 D CA 3.076 57.086 54.000 0.017 0.000 0.853 165 D CB -0.481 40.329 40.800 0.016 0.000 0.939 165 D HN 0.470 8.841 8.370 0.001 0.000 0.481 166 S N -0.703 115.005 115.700 0.013 0.000 2.343 166 S HA -0.315 4.165 4.470 0.018 0.000 0.219 166 S C 2.257 176.864 174.600 0.013 0.000 1.033 166 S CA 2.874 61.082 58.200 0.013 0.000 1.014 166 S CB 0.049 63.253 63.200 0.006 0.000 0.915 166 S HN -0.242 8.051 8.310 0.007 0.022 0.435 167 S N 4.677 120.380 115.700 0.006 0.000 2.380 167 S HA -0.357 4.109 4.470 -0.006 0.000 0.229 167 S C 2.267 176.874 174.600 0.013 0.000 1.043 167 S CA 3.991 62.191 58.200 0.000 0.000 1.038 167 S CB -0.621 62.574 63.200 -0.009 0.000 0.872 167 S HN -0.468 7.843 8.310 0.002 0.000 0.456 168 c N 1.973 120.595 118.600 0.037 0.000 2.432 168 c HA -0.284 4.347 4.570 0.101 0.000 0.277 168 c C 2.102 176.271 174.090 0.131 0.000 1.249 168 c CA 2.738 59.120 56.329 0.088 0.000 1.725 168 c CB -1.613 40.942 42.510 0.075 0.000 2.028 168 c HN -0.043 8.204 8.230 0.027 0.000 0.477 169 K N -0.969 119.486 120.400 0.091 0.000 2.155 169 K HA -0.299 4.110 4.320 0.149 0.000 0.203 169 K C 2.223 178.866 176.600 0.071 0.000 1.052 169 K CA 2.744 59.091 56.287 0.100 0.000 0.948 169 K CB -0.098 32.441 32.500 0.066 0.000 0.728 169 K HN -0.063 8.225 8.250 0.063 0.000 0.448 170 S N -1.216 114.501 115.700 0.029 0.000 2.402 170 S HA -0.209 4.263 4.470 0.004 0.000 0.229 170 S C 1.700 176.272 174.600 -0.046 0.000 1.021 170 S CA 2.400 60.598 58.200 -0.003 0.000 0.974 170 S CB -0.096 63.097 63.200 -0.012 0.000 0.800 170 S HN -0.005 8.241 8.310 0.026 0.080 0.484 171 S N 0.241 115.887 115.700 -0.091 0.000 2.428 171 S HA -0.136 4.176 4.470 -0.263 0.000 0.230 171 S C -0.708 173.628 174.600 -0.439 0.000 1.014 171 S CA 3.245 61.262 58.200 -0.304 0.000 0.957 171 S CB 1.139 64.085 63.200 -0.422 0.000 0.784 171 S HN -0.616 7.669 8.310 -0.041 0.000 0.499 172 Y N -1.937 118.386 120.300 0.038 0.000 2.511 172 Y HA 0.345 4.931 4.550 0.059 0.000 0.356 172 Y C -2.781 173.157 175.900 0.064 0.000 1.002 172 Y CA -3.099 55.048 58.100 0.078 0.000 1.127 172 Y CB 0.563 39.128 38.460 0.175 0.000 1.137 172 Y HN -0.768 7.442 8.280 0.109 0.135 0.652 173 P HA -0.126 4.466 4.420 0.079 -0.124 0.261 173 P C 0.677 178.030 177.300 0.088 0.000 1.183 173 P CA 1.247 64.397 63.100 0.084 0.000 0.761 173 P CB 0.030 31.751 31.700 0.035 0.000 0.785 174 G N 4.560 113.406 108.800 0.077 0.000 2.184 174 G HA2 -0.372 3.614 3.960 0.043 0.000 0.264 174 G HA3 -0.372 3.610 3.960 0.037 0.000 0.264 174 G C 0.369 175.308 174.900 0.065 0.000 0.975 174 G CA 0.818 45.950 45.100 0.055 0.000 0.642 174 G HN 0.544 8.877 8.290 0.073 0.000 0.536 175 Q N -1.926 117.946 119.800 0.120 0.000 2.350 175 Q HA 0.190 4.557 4.340 0.045 0.000 0.225 175 Q C -0.042 176.067 176.000 0.182 0.000 0.878 175 Q CA -0.372 55.507 55.803 0.127 0.000 0.935 175 Q CB 1.218 30.077 28.738 0.202 0.000 1.099 175 Q HN -0.174 8.123 8.270 0.164 0.071 0.527 176 I N 0.979 121.655 120.570 0.177 0.000 2.301 176 I HA -0.015 4.279 4.170 0.206 0.000 0.292 176 I C 0.264 176.445 176.117 0.106 0.000 1.046 176 I CA -1.566 59.830 61.300 0.160 0.000 1.282 176 I CB -1.944 36.139 38.000 0.139 0.000 1.409 176 I HN -0.474 7.834 8.210 0.164 0.000 0.484 177 T N 3.679 118.295 114.554 0.103 0.000 2.732 177 T HA 0.098 4.477 4.350 0.049 0.000 0.287 177 T C 1.638 176.372 174.700 0.056 0.000 0.993 177 T CA -1.009 61.130 62.100 0.066 0.000 0.966 177 T CB 2.040 70.942 68.868 0.057 0.000 1.047 177 T HN -0.496 7.828 8.240 0.140 0.000 0.527 178 G N -1.198 107.621 108.800 0.031 0.000 2.625 178 G HA2 -0.146 3.824 3.960 0.017 0.000 0.214 178 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.214 178 G C -0.201 174.708 174.900 0.016 0.000 1.132 178 G CA 1.200 46.309 45.100 0.015 0.000 0.782 178 G HN 0.500 8.804 8.290 0.023 0.000 0.538 179 N N -0.764 117.964 118.700 0.048 0.000 2.251 179 N HA 0.126 4.894 4.740 0.046 0.000 0.217 179 N C -1.532 174.064 175.510 0.143 0.000 1.124 179 N CA -0.570 52.535 53.050 0.090 0.000 0.843 179 N CB 0.984 39.553 38.487 0.136 0.000 1.024 179 N HN -0.430 7.917 8.380 0.060 0.069 0.501 180 M N -0.858 118.807 119.600 0.109 0.000 2.393 180 M HA 0.666 5.413 4.480 0.123 -0.193 0.299 180 M C -1.879 174.465 176.300 0.073 0.000 1.103 180 M CA -0.208 55.155 55.300 0.105 0.000 0.910 180 M CB 4.593 37.264 32.600 0.119 0.000 1.659 180 M HN -0.791 7.468 8.290 0.083 0.081 0.445 181 I N -6.079 114.538 120.570 0.078 0.000 2.828 181 I HA 0.642 4.840 4.170 0.048 0.000 0.302 181 I C -2.180 173.993 176.117 0.093 0.000 1.101 181 I CA -2.675 58.666 61.300 0.069 0.000 1.031 181 I CB 3.793 41.828 38.000 0.058 0.000 1.231 181 I HN 0.658 8.928 8.210 0.100 0.000 0.427 182 c N 2.778 121.419 118.600 0.068 0.000 2.358 182 c HA 0.851 5.718 4.570 0.140 -0.213 0.342 182 c C -0.568 173.559 174.090 0.061 0.000 1.234 182 c CA -0.730 55.655 56.329 0.094 0.000 1.969 182 c CB 0.948 43.495 42.510 0.062 0.000 2.346 182 c HN 0.898 9.154 8.230 0.042 0.000 0.525 183 V N 4.275 124.252 119.914 0.106 0.000 2.439 183 V HA 0.385 4.561 4.120 -0.153 -0.147 0.277 183 V C -1.970 174.089 176.094 -0.058 0.000 1.008 183 V CA -0.359 61.876 62.300 -0.108 0.000 0.846 183 V CB 1.261 32.823 31.823 -0.435 0.000 1.031 183 V HN 0.223 8.596 8.190 0.304 0.000 0.441 184 F N 4.252 124.225 119.950 0.039 0.000 2.385 184 F HA 0.300 4.838 4.527 0.019 0.000 0.360 184 F C 0.870 176.682 175.800 0.021 0.000 1.122 184 F CA -0.351 57.664 58.000 0.025 0.000 1.090 184 F CB 0.996 40.011 39.000 0.024 0.000 1.150 184 F HN 0.276 8.706 8.300 0.216 0.000 0.472 185 L N 3.806 125.106 121.223 0.129 0.000 2.265 185 L HA -0.349 4.023 4.340 0.053 0.000 0.215 185 L C 1.245 178.167 176.870 0.086 0.000 1.117 185 L CA 2.403 57.288 54.840 0.075 0.000 0.782 185 L CB -0.658 41.420 42.059 0.032 0.000 0.914 185 L HN 0.419 8.702 8.230 0.088 0.000 0.441 186 E N -2.008 118.265 120.200 0.122 0.000 2.268 186 E HA -0.231 4.153 4.350 0.056 0.000 0.195 186 E C 0.136 176.777 176.600 0.069 0.000 0.995 186 E CA 0.631 57.079 56.400 0.080 0.000 0.836 186 E CB -0.131 29.611 29.700 0.069 0.000 0.763 186 E HN -0.088 8.349 8.360 0.181 0.031 0.491 187 G N 0.325 109.185 108.800 0.100 0.000 3.383 187 G HA2 -0.365 3.697 3.960 0.096 0.000 0.685 187 G HA3 -0.365 3.638 3.960 0.053 -0.010 0.685 187 G C -0.800 174.128 174.900 0.047 0.000 1.104 187 G CA -0.387 44.759 45.100 0.077 0.000 0.957 187 G HN -0.634 7.618 8.290 0.158 0.133 0.461 188 K N 0.820 121.237 120.400 0.027 0.000 6.490 188 K HA -0.573 4.007 4.320 0.025 -0.246 0.811 188 K C -1.691 175.039 176.600 0.216 0.000 2.112 188 K CA 0.273 56.596 56.287 0.059 0.000 1.664 188 K CB 0.071 32.491 32.500 -0.133 0.000 2.161 188 K HN 0.311 8.610 8.250 0.081 0.000 0.289 189 D N 1.566 122.056 120.400 0.150 0.000 2.671 189 D HA 0.310 5.087 4.640 0.227 0.000 0.273 189 D C -1.681 174.697 176.300 0.130 0.000 1.264 189 D CA -0.840 53.262 54.000 0.170 0.000 0.788 189 D CB 4.034 44.916 40.800 0.137 0.000 1.324 189 D HN 0.061 8.487 8.370 0.092 0.000 0.424 190 S N -0.943 114.854 115.700 0.161 0.000 2.634 190 S HA 0.167 4.774 4.470 0.092 -0.082 0.261 190 S C -1.222 173.426 174.600 0.081 0.000 1.271 190 S CA 0.387 58.662 58.200 0.124 0.000 0.985 190 S CB 1.086 64.397 63.200 0.184 0.000 0.968 190 S HN 0.136 8.574 8.310 0.213 0.000 0.568 191 c N -1.769 116.879 118.600 0.079 0.000 3.293 191 c HA 0.198 4.812 4.570 0.073 0.000 0.362 191 c C -1.404 172.764 174.090 0.129 0.000 1.539 191 c CA -0.543 55.832 56.329 0.077 0.000 1.201 191 c CB 3.258 45.789 42.510 0.034 0.000 1.770 191 c HN 0.370 8.973 8.230 0.091 -0.318 0.440 192 Q N 2.006 121.899 119.800 0.156 0.000 2.320 192 Q HA -0.348 4.128 4.340 0.226 0.000 0.311 192 Q C 0.724 176.930 176.000 0.343 0.000 1.083 192 Q CA 2.222 58.169 55.803 0.240 0.000 1.001 192 Q CB 0.425 29.318 28.738 0.258 0.000 1.074 192 Q HN 0.637 8.980 8.270 0.121 0.000 0.379 193 G N 6.196 115.192 108.800 0.326 0.000 2.218 193 G HA2 -0.388 3.762 3.960 0.316 0.000 0.216 193 G HA3 -0.388 3.887 3.960 0.524 0.000 0.216 193 G C 0.594 175.726 174.900 0.386 0.000 0.994 193 G CA 0.722 46.060 45.100 0.396 0.000 0.637 193 G HN 0.868 9.324 8.290 0.277 0.000 0.505 194 D N 1.435 121.995 120.400 0.266 0.000 2.348 194 D HA 0.040 4.825 4.640 0.241 0.000 0.211 194 D C 0.117 176.523 176.300 0.177 0.000 0.998 194 D CA 1.461 55.588 54.000 0.212 0.000 0.873 194 D CB 0.215 41.107 40.800 0.154 0.000 0.925 194 D HN 0.151 8.593 8.370 0.237 0.070 0.524 195 S N -1.168 114.634 115.700 0.169 0.000 2.558 195 S HA -0.300 4.400 4.470 0.162 -0.133 0.291 195 S C 1.286 175.909 174.600 0.038 0.000 1.306 195 S CA 2.537 60.814 58.200 0.128 0.000 1.056 195 S CB -0.133 63.159 63.200 0.153 0.000 0.836 195 S HN -0.198 8.194 8.310 0.203 0.040 0.504 196 G N 4.464 113.285 108.800 0.035 0.000 2.241 196 G HA2 -0.425 3.615 3.960 0.003 0.000 0.244 196 G HA3 -0.425 3.640 3.960 -0.041 -0.129 0.244 196 G C -0.209 174.738 174.900 0.077 0.000 0.998 196 G CA 0.395 45.502 45.100 0.012 0.000 0.621 196 G HN 0.822 9.048 8.290 0.080 0.112 0.519 197 G N 0.969 109.839 108.800 0.117 0.000 2.588 197 G HA2 0.375 4.485 3.960 0.141 0.000 0.281 197 G HA3 0.375 4.420 3.960 0.142 0.000 0.281 197 G C -2.674 172.320 174.900 0.157 0.000 1.236 197 G CA -2.005 43.180 45.100 0.141 0.000 0.969 197 G HN -0.277 7.993 8.290 0.123 0.093 0.504 198 P HA 0.269 4.761 4.420 0.120 0.000 0.282 198 P C -1.562 175.792 177.300 0.090 0.000 1.249 198 P CA -0.695 62.496 63.100 0.151 0.000 0.806 198 P CB 1.519 33.391 31.700 0.287 0.000 0.984 199 V N 2.803 122.724 119.914 0.012 0.000 2.350 199 V HA 0.346 4.595 4.120 -0.085 -0.180 0.285 199 V C -1.270 174.775 176.094 -0.083 0.000 1.014 199 V CA -1.471 60.772 62.300 -0.096 0.000 0.831 199 V CB 0.780 32.429 31.823 -0.290 0.000 1.000 199 V HN 0.113 8.317 8.190 0.023 0.000 0.433 200 V N 8.365 128.242 119.914 -0.062 0.000 2.448 200 V HA 0.512 4.763 4.120 -0.129 -0.208 0.295 200 V C -1.402 174.657 176.094 -0.059 0.000 1.025 200 V CA -1.221 61.023 62.300 -0.094 0.000 0.859 200 V CB 2.777 34.511 31.823 -0.148 0.000 0.988 200 V HN 0.648 8.825 8.190 -0.022 0.000 0.431 201 c N 7.230 125.789 118.600 -0.067 0.000 2.397 201 c HA 0.612 5.268 4.570 -0.033 -0.106 0.325 201 c C -0.035 174.031 174.090 -0.040 0.000 1.201 201 c CA -1.444 54.856 56.329 -0.048 0.000 1.377 201 c CB 1.749 44.225 42.510 -0.057 0.000 2.038 201 c HN 0.856 9.036 8.230 -0.083 0.000 0.457 202 N N 5.713 124.399 118.700 -0.023 0.000 2.716 202 N HA -0.374 4.362 4.740 -0.007 0.000 0.250 202 N C -0.220 175.275 175.510 -0.026 0.000 1.033 202 N CA 1.170 54.209 53.050 -0.017 0.000 0.727 202 N CB -1.293 37.184 38.487 -0.017 0.000 0.950 202 N HN 0.905 9.277 8.380 -0.013 0.000 0.541 203 G N -7.533 101.246 108.800 -0.035 0.000 2.148 203 G HA2 -0.413 3.514 3.960 -0.055 0.000 0.254 203 G HA3 -0.413 3.530 3.960 -0.029 0.000 0.254 203 G C -1.378 173.466 174.900 -0.093 0.000 0.981 203 G CA 0.202 45.271 45.100 -0.052 0.000 0.670 203 G HN 0.253 8.517 8.290 -0.027 0.010 0.528 210 Q N 1.120 120.897 119.800 -0.039 0.000 2.392 210 Q HA 0.210 4.555 4.340 0.009 0.000 0.219 210 Q C -0.297 175.711 176.000 0.014 0.000 0.895 210 Q CA 0.069 55.863 55.803 -0.014 0.000 0.929 210 Q CB 2.603 31.316 28.738 -0.042 0.000 1.077 210 Q HN 0.510 8.740 8.270 -0.066 0.000 0.532 211 G N -2.706 106.097 108.800 0.005 0.000 2.612 211 G HA2 0.566 4.846 3.960 0.124 0.000 0.298 211 G HA3 0.566 4.519 3.960 -0.012 0.000 0.298 211 G C -3.289 171.689 174.900 0.130 0.000 1.336 211 G CA -0.662 44.478 45.100 0.067 0.000 0.953 211 G HN -0.472 7.803 8.290 -0.024 0.000 0.482 212 I N 0.458 121.161 120.570 0.222 0.000 2.465 212 I HA 0.592 5.096 4.170 0.196 -0.217 0.291 212 I C -0.301 176.006 176.117 0.317 0.000 1.014 212 I CA -1.518 59.913 61.300 0.219 0.000 1.093 212 I CB 4.061 42.134 38.000 0.121 0.000 1.267 212 I HN -0.349 8.091 8.210 0.260 -0.074 0.431 213 V N 8.469 128.574 119.914 0.318 0.000 2.509 213 V HA -0.253 3.849 4.120 -0.030 0.000 0.297 213 V C -0.793 175.342 176.094 0.068 0.000 1.014 213 V CA 2.386 64.784 62.300 0.164 0.000 1.127 213 V CB -0.849 31.088 31.823 0.190 0.000 0.925 213 V HN 0.365 8.719 8.190 0.273 0.000 0.480 214 S N 7.238 122.885 115.700 -0.088 0.000 3.334 214 S HA 0.313 4.999 4.470 0.361 0.000 0.224 214 S C -0.994 173.729 174.600 0.204 0.000 0.959 214 S CA 0.576 58.871 58.200 0.158 0.000 0.815 214 S CB 2.835 66.134 63.200 0.164 0.000 0.861 214 S HN 0.014 8.040 8.310 -0.472 0.000 0.596 215 W N -1.780 119.409 121.300 -0.186 0.000 2.959 215 W HA 0.250 4.841 4.660 -0.114 0.000 0.358 215 W C -2.611 173.801 176.519 -0.179 0.000 1.228 215 W CA -0.712 56.534 57.345 -0.165 0.000 1.183 215 W CB 0.701 30.056 29.460 -0.176 0.000 1.467 215 W HN -0.062 7.837 8.180 -0.468 0.000 0.578 216 G N -2.331 106.547 108.800 0.130 0.000 2.601 216 G HA2 0.175 3.973 3.960 -0.270 0.000 0.291 216 G HA3 0.175 4.152 3.960 0.029 0.000 0.291 216 G C -2.336 172.817 174.900 0.422 0.000 1.456 216 G CA -0.656 44.498 45.100 0.089 0.000 0.804 216 G HN -0.346 8.160 8.290 0.360 0.000 0.499 220 c N 0.635 119.242 118.600 0.011 0.000 3.482 220 c HA 0.352 5.091 4.570 0.069 -0.127 0.208 220 c C -1.238 172.880 174.090 0.046 0.000 1.306 220 c CA -1.463 54.893 56.329 0.044 0.000 1.254 220 c CB -1.592 40.942 42.510 0.039 0.000 1.832 220 c HN 0.243 8.464 8.230 -0.015 0.000 0.554 221 Q N -0.771 119.073 119.800 0.074 0.000 2.920 221 Q HA 0.060 4.431 4.340 0.053 0.000 0.255 221 Q C -1.513 174.528 176.000 0.068 0.000 0.976 221 Q CA -0.311 55.533 55.803 0.070 0.000 0.862 221 Q CB 2.968 31.763 28.738 0.095 0.000 1.952 221 Q HN 0.289 8.611 8.270 0.086 0.000 0.489 222 K N 2.604 123.035 120.400 0.052 0.000 2.484 222 K HA -0.310 4.167 4.320 0.045 -0.130 0.280 222 K C 0.786 177.396 176.600 0.017 0.000 1.013 222 K CA 1.269 57.579 56.287 0.038 0.000 1.029 222 K CB 0.284 32.801 32.500 0.029 0.000 0.902 222 K HN 0.415 8.694 8.250 0.048 0.000 0.481 223 N N 3.360 122.059 118.700 -0.002 0.000 2.708 223 N HA -0.401 4.309 4.740 -0.049 0.000 0.251 223 N C -2.116 173.301 175.510 -0.156 0.000 1.123 223 N CA 1.572 54.585 53.050 -0.062 0.000 0.739 223 N CB -0.282 38.166 38.487 -0.065 0.000 1.113 223 N HN 0.806 9.087 8.380 0.020 0.111 0.561 224 K N -2.209 118.143 120.400 -0.081 0.000 2.842 224 K HA 0.562 4.589 4.320 -0.487 0.000 0.176 224 K C -2.395 174.269 176.600 0.105 0.000 1.080 224 K CA -3.601 52.633 56.287 -0.087 0.000 0.954 224 K CB -0.088 32.483 32.500 0.118 0.000 1.203 224 K HN -0.658 7.549 8.250 0.003 0.045 0.611 225 P HA -0.014 4.481 4.420 0.126 0.000 0.274 225 P C -0.089 177.295 177.300 0.139 0.000 1.246 225 P CA -0.553 62.624 63.100 0.129 0.000 0.795 225 P CB 0.970 32.722 31.700 0.087 0.000 1.006 226 G N -1.661 107.201 108.800 0.103 0.000 2.441 226 G HA2 0.109 3.952 3.960 -0.193 0.000 0.243 226 G HA3 0.109 4.160 3.960 0.038 -0.069 0.243 226 G C -1.265 173.478 174.900 -0.261 0.000 1.281 226 G CA -0.075 44.975 45.100 -0.084 0.000 0.854 226 G HN 0.011 8.429 8.290 0.164 -0.030 0.560 227 V N 3.756 123.195 119.914 -0.791 0.000 2.459 227 V HA 0.626 4.688 4.120 -0.380 -0.170 0.295 227 V C -1.101 174.470 176.094 -0.873 0.000 1.029 227 V CA -2.213 59.590 62.300 -0.828 0.000 0.874 227 V CB 1.820 32.651 31.823 -1.654 0.000 0.985 227 V HN 0.764 8.423 8.190 -0.884 0.000 0.438 228 Y N 4.764 124.952 120.300 -0.187 0.000 2.477 228 Y HA 0.518 5.208 4.550 -0.022 -0.154 0.347 228 Y C 0.058 175.965 175.900 0.012 0.000 0.981 228 Y CA -2.005 56.063 58.100 -0.052 0.000 1.033 228 Y CB 4.158 42.599 38.460 -0.033 0.000 1.245 228 Y HN 1.021 9.306 8.280 0.009 0.000 0.455 229 T N 5.858 120.524 114.554 0.187 0.000 2.902 229 T HA -0.105 4.512 4.350 0.180 -0.159 0.301 229 T C -0.413 174.411 174.700 0.207 0.000 1.012 229 T CA 1.713 63.918 62.100 0.175 0.000 1.151 229 T CB 0.454 69.379 68.868 0.096 0.000 0.946 229 T HN 0.566 8.915 8.240 0.182 0.000 0.542 230 K N 8.240 128.783 120.400 0.239 0.000 2.127 230 K HA -0.007 4.401 4.320 0.147 0.000 0.261 230 K C 0.951 177.718 176.600 0.278 0.000 1.129 230 K CA -0.402 56.003 56.287 0.197 0.000 0.993 230 K CB -0.308 32.263 32.500 0.118 0.000 1.410 230 K HN 0.381 8.673 8.250 0.255 0.111 0.380 231 V N 5.489 125.544 119.914 0.236 0.000 2.490 231 V HA -0.416 3.984 4.120 0.467 0.000 0.250 231 V C 1.429 177.662 176.094 0.230 0.000 1.061 231 V CA 3.670 66.144 62.300 0.290 0.000 1.064 231 V CB -0.650 31.268 31.823 0.158 0.000 0.670 231 V HN 0.253 8.546 8.190 0.171 0.000 0.461 232 c N -3.359 115.305 118.600 0.107 0.000 2.422 232 c HA -0.196 4.406 4.570 0.053 0.000 0.286 232 c C 1.665 175.745 174.090 -0.016 0.000 1.412 232 c CA 1.125 57.480 56.329 0.043 0.000 1.786 232 c CB -2.127 40.391 42.510 0.014 0.000 1.835 232 c HN 0.555 8.808 8.230 0.093 0.033 0.533 233 N N 1.267 119.902 118.700 -0.109 0.000 2.494 233 N HA -0.123 4.477 4.740 -0.233 0.000 0.182 233 N C 0.420 175.635 175.510 -0.491 0.000 1.076 233 N CA 1.277 54.104 53.050 -0.372 0.000 0.908 233 N CB -0.260 37.839 38.487 -0.647 0.000 0.967 233 N HN -0.139 8.065 8.380 -0.032 0.157 0.449 234 Y N -4.162 116.199 120.300 0.103 0.000 2.584 234 Y HA 0.150 4.848 4.550 0.246 0.000 0.254 234 Y C 0.184 176.205 175.900 0.202 0.000 1.177 234 Y CA -0.848 57.374 58.100 0.203 0.000 1.216 234 Y CB -0.023 38.588 38.460 0.250 0.000 1.172 234 Y HN -0.146 8.035 8.280 0.127 0.175 0.529 235 V N 1.139 121.168 119.914 0.191 0.000 2.358 235 V HA -0.527 3.666 4.120 0.121 0.000 0.246 235 V C 1.557 177.708 176.094 0.094 0.000 1.047 235 V CA 4.630 67.001 62.300 0.119 0.000 1.035 235 V CB -0.726 31.131 31.823 0.058 0.000 0.658 235 V HN -0.424 7.834 8.190 0.113 0.000 0.452 236 N N -0.185 118.579 118.700 0.107 0.000 2.069 236 N HA -0.303 4.459 4.740 0.036 0.000 0.191 236 N C 1.754 177.336 175.510 0.121 0.000 1.031 236 N CA 3.267 56.371 53.050 0.089 0.000 0.852 236 N CB -0.732 37.812 38.487 0.095 0.000 1.018 236 N HN 0.108 8.550 8.380 0.103 0.000 0.423 237 W N 1.068 122.412 121.300 0.074 0.000 2.358 237 W HA -0.128 4.749 4.660 0.039 -0.194 0.303 237 W C 1.899 178.425 176.519 0.011 0.000 1.208 237 W CA 3.252 60.648 57.345 0.085 0.000 1.274 237 W CB -0.057 29.554 29.460 0.252 0.000 1.138 237 W HN -0.254 8.184 8.180 0.431 0.000 0.515 238 I N -0.806 119.717 120.570 -0.079 0.000 2.202 238 I HA -0.698 3.009 4.170 -0.772 0.000 0.242 238 I C 2.185 178.040 176.117 -0.437 0.000 1.091 238 I CA 4.307 65.379 61.300 -0.380 0.000 1.368 238 I CB -0.221 37.721 38.000 -0.097 0.000 1.058 238 I HN 0.284 8.637 8.210 0.239 0.000 0.410 239 Q N -1.425 118.229 119.800 -0.244 0.000 2.084 239 Q HA -0.389 3.789 4.340 -0.270 0.000 0.202 239 Q C 2.912 178.751 176.000 -0.269 0.000 0.978 239 Q CA 3.175 58.839 55.803 -0.232 0.000 0.844 239 Q CB -0.723 27.942 28.738 -0.121 0.000 0.898 239 Q HN 0.007 8.201 8.270 -0.127 0.000 0.426 240 Q N -0.053 119.598 119.800 -0.249 0.000 2.030 240 Q HA -0.355 3.895 4.340 -0.149 0.000 0.204 240 Q C 2.579 178.381 176.000 -0.330 0.000 0.986 240 Q CA 3.438 59.108 55.803 -0.221 0.000 0.843 240 Q CB -0.089 28.560 28.738 -0.149 0.000 0.904 240 Q HN 0.283 8.429 8.270 -0.207 0.000 0.420 241 T N 2.288 116.497 114.554 -0.576 0.000 2.746 241 T HA -0.344 3.742 4.350 -0.440 0.000 0.267 241 T C 1.901 176.207 174.700 -0.657 0.000 1.039 241 T CA 4.899 66.602 62.100 -0.662 0.000 1.142 241 T CB -0.343 67.877 68.868 -1.080 0.000 0.866 241 T HN 0.018 7.831 8.240 -0.712 0.000 0.444 242 I N -0.220 119.856 120.570 -0.824 0.000 2.252 242 I HA -0.424 2.976 4.170 -1.283 0.000 0.245 242 I C 2.014 177.970 176.117 -0.269 0.000 1.102 242 I CA 3.653 64.455 61.300 -0.831 0.000 1.385 242 I CB -0.283 37.230 38.000 -0.812 0.000 1.064 242 I HN -0.268 7.479 8.210 -0.771 0.000 0.414 243 A N -0.080 122.608 122.820 -0.219 0.000 1.969 243 A HA -0.193 4.093 4.320 -0.055 0.000 0.218 243 A C 1.140 178.695 177.584 -0.047 0.000 1.169 243 A CA 2.627 54.607 52.037 -0.095 0.000 0.635 243 A CB -0.493 18.453 19.000 -0.091 0.000 0.810 243 A HN 0.005 7.986 8.150 -0.281 0.000 0.445 244 A N -4.412 118.365 122.820 -0.071 0.000 2.169 244 A HA 0.007 4.322 4.320 -0.010 0.000 0.212 244 A C -0.466 177.143 177.584 0.041 0.000 1.153 244 A CA 0.795 52.818 52.037 -0.023 0.000 0.756 244 A CB 0.494 19.464 19.000 -0.050 0.000 0.813 244 A HN -0.205 7.847 8.150 -0.144 0.013 0.471 245 N N 0.000 118.768 118.700 0.113 0.000 1.763 245 N HA 0.000 4.828 4.740 0.147 0.000 0.220 245 N CA 0.000 53.187 53.050 0.229 0.000 0.885 245 N CB 0.000 38.719 38.487 0.386 0.000 1.341 245 N HN 0.000 8.275 8.380 0.087 0.157 0.667