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 1s5s_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 4.167 4.170 -0.005 0.000 0.288 16 I C 0.000 176.084 176.117 -0.055 0.000 1.063 16 I CA 0.000 61.272 61.300 -0.047 0.000 1.566 16 I CB 0.000 37.942 38.000 -0.097 0.000 1.214 17 V N 6.476 126.376 119.914 -0.024 0.000 2.427 17 V HA 0.227 4.487 4.120 -0.044 -0.166 0.286 17 V C 0.667 176.753 176.094 -0.014 0.000 1.034 17 V CA -1.487 60.798 62.300 -0.025 0.000 0.893 17 V CB 1.099 32.916 31.823 -0.010 0.000 0.982 17 V HN 0.879 9.073 8.190 0.006 0.000 0.452 18 G N 6.871 115.656 108.800 -0.025 0.000 2.143 18 G HA2 -0.384 3.559 3.960 -0.029 0.000 0.248 18 G HA3 -0.384 3.925 3.960 -0.042 -0.374 0.248 18 G C -0.716 174.180 174.900 -0.007 0.000 0.991 18 G CA 0.386 45.469 45.100 -0.028 0.000 0.689 18 G HN 0.723 8.994 8.290 -0.031 0.000 0.522 19 G N -0.843 107.949 108.800 -0.013 0.000 2.606 19 G HA2 0.465 4.455 3.960 0.046 0.000 0.262 19 G HA3 0.465 4.419 3.960 -0.131 -0.073 0.262 19 G C -1.828 173.107 174.900 0.058 0.000 1.394 19 G CA -1.481 43.606 45.100 -0.022 0.000 1.044 19 G HN -0.512 7.722 8.290 -0.035 0.034 0.553 20 Y N -5.866 114.413 120.300 -0.034 0.000 2.609 20 Y HA 0.402 4.935 4.550 -0.028 0.000 0.342 20 Y C -1.675 174.207 175.900 -0.031 0.000 1.058 20 Y CA -2.394 55.688 58.100 -0.030 0.000 1.055 20 Y CB 1.614 40.059 38.460 -0.024 0.000 1.292 20 Y HN 0.403 8.324 8.280 -0.599 0.000 0.476 21 T N 3.903 118.510 114.554 0.089 0.000 2.799 21 T HA -0.015 4.412 4.350 -0.076 -0.123 0.296 21 T C 0.020 174.783 174.700 0.105 0.000 0.947 21 T CA 1.106 63.229 62.100 0.037 0.000 1.141 21 T CB -0.039 68.885 68.868 0.093 0.000 0.891 21 T HN -0.006 8.337 8.240 0.172 0.000 0.533 22 c N 7.758 126.339 118.600 -0.031 0.000 2.702 22 c HA -0.214 4.415 4.570 0.099 0.000 0.411 22 c C 0.005 174.111 174.090 0.026 0.000 1.286 22 c CA -0.030 56.304 56.329 0.009 0.000 1.979 22 c CB -0.226 42.219 42.510 -0.108 0.000 2.728 22 c HN 0.104 8.260 8.230 -0.124 0.000 0.652 23 A N 3.424 126.238 122.820 -0.010 0.000 2.531 23 A HA -0.137 4.128 4.320 -0.092 0.000 0.236 23 A C -0.154 177.212 177.584 -0.364 0.000 1.062 23 A CA 0.340 52.304 52.037 -0.120 0.000 0.760 23 A CB 0.643 19.607 19.000 -0.060 0.000 0.995 23 A HN 0.374 8.557 8.150 0.054 0.000 0.501 24 A N 3.443 125.919 122.820 -0.572 0.000 2.548 24 A HA -0.274 2.912 4.320 -1.890 0.000 0.247 24 A C -0.514 176.859 177.584 -0.351 0.000 1.067 24 A CA 0.900 52.427 52.037 -0.850 0.000 0.757 24 A CB -0.180 18.550 19.000 -0.450 0.000 0.996 24 A HN 0.429 8.348 8.150 -0.384 0.000 0.504 25 N N -0.742 117.809 118.700 -0.249 0.000 2.753 25 N HA -0.440 4.267 4.740 -0.054 0.000 0.251 25 N C 0.651 176.095 175.510 -0.109 0.000 1.097 25 N CA 1.788 54.777 53.050 -0.101 0.000 0.786 25 N CB -0.979 37.479 38.487 -0.047 0.000 1.137 25 N HN 0.542 8.753 8.380 -0.281 0.000 0.566 26 S N -1.592 114.024 115.700 -0.139 0.000 2.561 26 S HA -0.128 4.302 4.470 -0.066 0.000 0.225 26 S C -0.335 174.194 174.600 -0.119 0.000 0.977 26 S CA 2.180 60.322 58.200 -0.096 0.000 0.926 26 S CB 0.512 63.670 63.200 -0.070 0.000 0.769 26 S HN -0.058 8.096 8.310 -0.190 0.042 0.533 27 I N 1.612 122.050 120.570 -0.220 0.000 2.859 27 I HA 0.430 4.303 4.170 -0.496 0.000 0.296 27 I C -1.362 174.426 176.117 -0.547 0.000 1.300 27 I CA -3.934 57.079 61.300 -0.479 0.000 1.020 27 I CB -0.413 37.297 38.000 -0.483 0.000 1.823 27 I HN -0.156 7.864 8.210 -0.195 0.072 0.599 28 P HA 0.071 4.536 4.420 -0.086 -0.097 0.230 28 P C 0.624 177.887 177.300 -0.060 0.000 1.158 28 P CA 1.679 64.708 63.100 -0.120 0.000 0.769 28 P CB -0.225 31.473 31.700 -0.003 0.000 0.807 29 Y N -5.456 114.874 120.300 0.050 0.000 2.523 29 Y HA 0.393 5.123 4.550 0.066 -0.141 0.279 29 Y C -0.246 175.699 175.900 0.075 0.000 1.139 29 Y CA -2.699 55.437 58.100 0.059 0.000 1.296 29 Y CB -1.294 37.195 38.460 0.047 0.000 1.045 29 Y HN -0.363 7.406 8.280 -0.771 0.049 0.538 30 Q N 2.783 122.436 119.800 -0.245 0.000 2.297 30 Q HA 0.172 4.704 4.340 0.085 -0.141 0.267 30 Q C -0.441 175.646 176.000 0.146 0.000 1.006 30 Q CA 0.068 55.849 55.803 -0.037 0.000 0.896 30 Q CB 0.786 29.400 28.738 -0.207 0.000 1.186 30 Q HN -0.477 7.294 8.270 -0.558 0.164 0.392 31 V N 0.683 120.724 119.914 0.212 0.000 3.019 31 V HA 0.782 5.156 4.120 0.237 -0.112 0.317 31 V C -1.632 174.639 176.094 0.296 0.000 1.094 31 V CA -3.042 59.390 62.300 0.220 0.000 1.000 31 V CB 3.511 35.404 31.823 0.117 0.000 1.060 31 V HN 0.304 8.614 8.190 0.200 0.000 0.443 32 S N 1.249 117.019 115.700 0.115 0.000 2.437 32 S HA 0.403 5.099 4.470 0.177 -0.120 0.305 32 S C -0.766 173.718 174.600 -0.193 0.000 1.109 32 S CA -1.880 56.305 58.200 -0.025 0.000 1.099 32 S CB 1.218 64.192 63.200 -0.376 0.000 1.004 32 S HN 0.188 8.523 8.310 0.041 0.000 0.475 33 L N 6.677 127.665 121.223 -0.391 0.000 2.276 33 L HA 0.522 4.802 4.340 -0.329 -0.138 0.286 33 L C -1.379 175.086 176.870 -0.674 0.000 1.061 33 L CA -0.830 53.658 54.840 -0.587 0.000 0.807 33 L CB 0.499 42.025 42.059 -0.888 0.000 1.177 33 L HN 0.894 8.859 8.230 -0.442 0.000 0.429 38 G N 6.303 115.066 108.800 -0.062 0.000 2.396 38 G HA2 -0.395 3.527 3.960 -0.064 0.000 0.242 38 G HA3 -0.395 3.526 3.960 -0.065 0.000 0.242 38 G C -1.277 173.588 174.900 -0.058 0.000 1.069 38 G CA 0.676 45.738 45.100 -0.064 0.000 0.633 38 G HN 0.129 8.623 8.290 -0.070 -0.246 0.517 39 S N -1.281 114.395 115.700 -0.039 0.000 2.625 39 S HA 0.142 4.574 4.470 -0.063 0.000 0.271 39 S C -1.826 172.774 174.600 -0.001 0.000 1.161 39 S CA -1.946 56.233 58.200 -0.035 0.000 0.820 39 S CB 2.273 65.454 63.200 -0.033 0.000 1.137 39 S HN -0.673 7.430 8.310 -0.015 0.198 0.470 40 H N 2.500 121.500 119.070 -0.117 0.000 3.034 40 H HA -0.283 4.288 4.556 -0.231 -0.153 0.324 40 H C -0.106 175.219 175.328 -0.004 0.000 1.015 40 H CA 1.580 57.537 56.048 -0.152 0.000 1.429 40 H CB -0.052 29.572 29.762 -0.231 0.000 1.429 40 H HN 0.539 8.833 8.280 0.022 0.000 0.585 41 F N 1.400 120.887 119.950 -0.771 0.000 2.856 41 F HA 0.361 4.702 4.527 -0.310 0.000 0.338 41 F C -1.785 173.749 175.800 -0.442 0.000 1.005 41 F CA -0.362 57.354 58.000 -0.474 0.000 1.155 41 F CB 1.952 40.797 39.000 -0.259 0.000 1.010 41 F HN 0.206 7.780 8.300 -1.209 0.000 0.587 42 c N -1.515 116.358 118.600 -1.212 0.000 3.311 42 c HA 0.324 4.822 4.570 -0.190 -0.042 0.325 42 c C -1.568 172.311 174.090 -0.353 0.000 1.352 42 c CA -0.113 55.870 56.329 -0.577 0.000 1.308 42 c CB 4.144 46.357 42.510 -0.496 0.000 1.619 42 c HN -0.705 6.488 8.230 -1.729 0.000 0.469 43 G N -0.869 107.931 108.800 -0.001 0.000 2.535 43 G HA2 0.728 5.008 3.960 0.252 0.000 0.303 43 G HA3 0.728 4.808 3.960 0.200 0.000 0.303 43 G C -2.199 172.720 174.900 0.031 0.000 1.237 43 G CA -1.358 43.826 45.100 0.139 0.000 0.986 43 G HN 0.685 8.882 8.290 0.022 0.106 0.494 44 G N -3.902 104.956 108.800 0.097 0.000 2.550 44 G HA2 0.361 4.656 3.960 0.084 0.000 0.293 44 G HA3 0.361 4.359 3.960 0.063 0.000 0.293 44 G C -2.771 172.220 174.900 0.152 0.000 1.402 44 G CA 0.313 45.469 45.100 0.093 0.000 0.784 44 G HN -0.598 7.788 8.290 0.161 0.000 0.482 45 S N -0.723 115.074 115.700 0.162 0.000 2.557 45 S HA 0.836 5.699 4.470 0.291 -0.219 0.291 45 S C -1.339 173.373 174.600 0.188 0.000 1.116 45 S CA -1.142 57.190 58.200 0.219 0.000 0.992 45 S CB 3.434 66.752 63.200 0.196 0.000 1.028 45 S HN 0.474 8.866 8.310 0.135 0.000 0.484 46 L N 6.522 127.872 121.223 0.211 0.000 2.369 46 L HA 0.134 4.691 4.340 0.161 -0.120 0.279 46 L C -0.717 176.246 176.870 0.156 0.000 1.108 46 L CA 0.074 55.019 54.840 0.175 0.000 0.852 46 L CB 0.690 42.849 42.059 0.167 0.000 1.169 46 L HN 0.478 8.757 8.230 0.269 0.112 0.452 47 I N 0.343 120.999 120.570 0.143 0.000 4.227 47 I HA 0.534 4.890 4.170 0.072 -0.143 0.334 47 I C -1.172 175.007 176.117 0.103 0.000 1.341 47 I CA -0.912 60.447 61.300 0.100 0.000 1.123 47 I CB 1.582 39.628 38.000 0.076 0.000 1.097 47 I HN 0.288 8.601 8.210 0.171 0.000 0.399 48 N N -0.279 118.512 118.700 0.151 0.000 2.591 48 N HA 0.104 4.912 4.740 0.113 0.000 0.263 48 N C -0.055 175.551 175.510 0.159 0.000 1.308 48 N CA -0.181 52.965 53.050 0.160 0.000 0.837 48 N CB 2.961 41.589 38.487 0.236 0.000 1.548 48 N HN -0.824 7.664 8.380 0.180 0.000 0.493 49 S N 1.910 117.685 115.700 0.124 0.000 2.440 49 S HA -0.332 4.187 4.470 0.081 0.000 0.238 49 S C 0.501 175.143 174.600 0.070 0.000 1.010 49 S CA 3.096 61.350 58.200 0.089 0.000 0.972 49 S CB -0.132 63.108 63.200 0.066 0.000 0.774 49 S HN 0.572 8.949 8.310 0.113 0.000 0.501 50 Q N -2.058 117.804 119.800 0.103 0.000 2.217 50 Q HA 0.261 4.533 4.340 -0.113 0.000 0.217 50 Q C -1.526 174.321 176.000 -0.256 0.000 0.844 50 Q CA -0.226 55.531 55.803 -0.077 0.000 0.957 50 Q CB 1.880 30.550 28.738 -0.113 0.000 1.127 50 Q HN -0.169 8.533 8.270 0.215 -0.303 0.503 51 W N -1.785 119.522 121.300 0.013 0.000 2.998 51 W HA 0.657 5.542 4.660 0.008 -0.220 0.335 51 W C -1.570 174.964 176.519 0.026 0.000 1.110 51 W CA -0.807 56.543 57.345 0.009 0.000 1.230 51 W CB 3.704 33.157 29.460 -0.012 0.000 1.405 51 W HN -0.280 7.958 8.180 0.294 0.119 0.493 52 V N 1.944 122.018 119.914 0.267 0.000 2.581 52 V HA 0.706 5.116 4.120 0.181 -0.181 0.303 52 V C -1.962 174.258 176.094 0.209 0.000 1.041 52 V CA -1.589 60.825 62.300 0.191 0.000 0.907 52 V CB 3.525 35.416 31.823 0.115 0.000 0.994 52 V HN 0.921 9.248 8.190 0.229 0.000 0.442 53 V N 6.332 126.347 119.914 0.168 0.000 2.547 53 V HA 0.858 5.257 4.120 0.183 -0.169 0.299 53 V C -2.037 174.125 176.094 0.114 0.000 1.040 53 V CA -2.076 60.316 62.300 0.154 0.000 0.913 53 V CB 3.301 35.209 31.823 0.143 0.000 0.992 53 V HN 0.663 8.946 8.190 0.154 0.000 0.449 54 S N 6.889 122.645 115.700 0.092 0.000 2.880 54 S HA 0.465 5.182 4.470 0.043 -0.222 0.308 54 S C -2.159 172.436 174.600 -0.007 0.000 1.195 54 S CA -2.746 55.476 58.200 0.036 0.000 0.866 54 S CB 2.268 65.474 63.200 0.010 0.000 1.254 54 S HN 0.782 9.163 8.310 0.117 0.000 0.571 55 A N -0.896 121.873 122.820 -0.084 0.000 2.306 55 A HA 0.391 4.811 4.320 -0.118 -0.170 0.314 55 A C 0.426 177.860 177.584 -0.249 0.000 1.164 55 A CA -1.490 50.450 52.037 -0.162 0.000 0.822 55 A CB 1.565 20.431 19.000 -0.223 0.000 1.130 55 A HN 0.208 8.294 8.150 -0.106 0.000 0.496 56 A N 5.374 127.961 122.820 -0.389 0.000 2.019 56 A HA -0.245 3.905 4.320 -0.284 0.000 0.219 56 A C 1.183 178.462 177.584 -0.509 0.000 1.164 56 A CA 2.686 54.367 52.037 -0.594 0.000 0.644 56 A CB -0.307 17.910 19.000 -1.305 0.000 0.805 56 A HN 0.582 8.542 8.150 -0.400 -0.050 0.449 57 H N -4.980 113.875 119.070 -0.358 0.000 2.546 57 H HA -0.028 4.574 4.556 0.076 0.000 0.277 57 H C 0.471 175.848 175.328 0.080 0.000 1.004 57 H CA 1.958 58.003 56.048 -0.005 0.000 1.231 57 H CB -0.768 29.085 29.762 0.151 0.000 1.382 57 H HN -0.001 8.408 8.280 -0.293 -0.306 0.580 58 c N -1.340 117.073 118.600 -0.312 0.000 2.576 58 c HA -0.032 4.562 4.570 0.040 0.000 0.267 58 c C 0.354 174.508 174.090 0.108 0.000 1.364 58 c CA -0.322 55.977 56.329 -0.050 0.000 1.723 58 c CB -2.147 40.310 42.510 -0.087 0.000 1.778 58 c HN -0.412 7.400 8.230 -0.412 0.171 0.572 59 Y N 3.033 123.318 120.300 -0.026 0.000 2.810 59 Y HA -0.265 4.297 4.550 0.020 0.000 0.332 59 Y C -0.623 175.253 175.900 -0.040 0.000 1.243 59 Y CA 1.831 59.927 58.100 -0.005 0.000 1.537 59 Y CB 0.403 38.856 38.460 -0.012 0.000 1.265 59 Y HN -0.362 7.821 8.280 0.136 0.179 0.572 60 K N 7.812 127.624 120.400 -0.980 0.000 2.477 60 K HA 0.195 4.046 4.320 -0.782 0.000 0.255 60 K C -1.253 174.681 176.600 -1.111 0.000 0.952 60 K CA -1.026 54.698 56.287 -0.940 0.000 0.826 60 K CB 2.055 34.162 32.500 -0.654 0.000 1.331 60 K HN 0.050 7.735 8.250 -0.941 0.000 0.437 61 S N 1.105 116.419 115.700 -0.643 0.000 2.489 61 S HA -0.193 4.124 4.470 -0.255 0.000 0.228 61 S C -0.384 174.109 174.600 -0.179 0.000 0.995 61 S CA 1.733 59.763 58.200 -0.283 0.000 0.934 61 S CB 0.834 64.014 63.200 -0.032 0.000 0.771 61 S HN 0.395 8.434 8.310 -0.451 0.000 0.522 62 R N 0.168 120.545 120.500 -0.204 0.000 2.476 62 R HA 0.178 4.461 4.340 -0.095 0.000 0.305 62 R C -1.792 174.432 176.300 -0.126 0.000 0.965 62 R CA -0.742 55.279 56.100 -0.131 0.000 0.867 62 R CB 1.824 32.057 30.300 -0.111 0.000 1.176 62 R HN -0.530 7.540 8.270 -0.275 0.036 0.447 63 I N 2.218 122.747 120.570 -0.067 0.000 2.656 63 I HA 0.111 4.313 4.170 0.054 0.000 0.292 63 I C -2.283 173.817 176.117 -0.029 0.000 1.144 63 I CA -0.929 60.372 61.300 0.002 0.000 1.038 63 I CB 4.239 42.266 38.000 0.044 0.000 1.244 63 I HN 0.297 8.468 8.210 -0.064 0.000 0.420 64 Q N 5.747 125.521 119.800 -0.042 0.000 2.290 64 Q HA 0.368 4.667 4.340 -0.070 0.000 0.259 64 Q C -1.568 174.357 176.000 -0.125 0.000 0.941 64 Q CA -1.588 54.160 55.803 -0.092 0.000 0.912 64 Q CB 2.760 31.411 28.738 -0.145 0.000 1.244 64 Q HN 0.594 8.858 8.270 -0.010 0.000 0.441 65 V N 8.294 128.153 119.914 -0.093 0.000 2.432 65 V HA 0.168 4.347 4.120 -0.113 -0.126 0.275 65 V C -1.125 174.922 176.094 -0.079 0.000 1.043 65 V CA -0.060 62.191 62.300 -0.083 0.000 0.925 65 V CB 0.850 32.653 31.823 -0.033 0.000 0.985 65 V HN 0.970 9.013 8.190 -0.064 0.108 0.466 66 R N 6.756 127.188 120.500 -0.112 0.000 2.275 66 R HA 0.535 5.103 4.340 0.119 -0.157 0.326 66 R C -0.853 175.495 176.300 0.079 0.000 0.973 66 R CA -1.224 54.848 56.100 -0.047 0.000 0.854 66 R CB 0.953 31.058 30.300 -0.325 0.000 1.156 66 R HN 0.881 9.070 8.270 -0.135 0.000 0.487 70 E N -0.488 119.852 120.200 0.234 0.000 2.343 70 E HA 0.025 4.505 4.350 0.216 0.000 0.269 70 E C -1.383 175.486 176.600 0.449 0.000 1.047 70 E CA 0.005 56.575 56.400 0.283 0.000 0.874 70 E CB 0.983 30.779 29.700 0.160 0.000 1.033 70 E HN -0.483 8.000 8.360 0.252 0.029 0.409 71 H N 3.571 122.800 119.070 0.265 0.000 2.143 71 H HA 0.089 4.863 4.556 0.362 0.000 0.238 71 H C -0.948 174.598 175.328 0.363 0.000 0.914 71 H CA 1.443 57.668 56.048 0.296 0.000 1.154 71 H CB 3.267 33.111 29.762 0.137 0.000 1.359 71 H HN -0.174 8.485 8.280 0.312 -0.192 0.493 72 N N 0.532 119.276 118.700 0.073 0.000 2.415 72 N HA 0.116 5.064 4.740 -0.032 -0.227 0.246 72 N C 1.923 177.420 175.510 -0.022 0.000 1.078 72 N CA -1.007 52.042 53.050 -0.001 0.000 0.942 72 N CB -0.002 38.487 38.487 0.004 0.000 1.140 72 N HN -0.785 8.401 8.380 0.171 -0.703 0.501 73 I N 0.861 121.336 120.570 -0.159 0.000 3.001 73 I HA -0.154 3.998 4.170 -0.265 -0.141 0.268 73 I C -0.337 175.690 176.117 -0.150 0.000 1.267 73 I CA 1.746 62.854 61.300 -0.320 0.000 1.472 73 I CB -0.465 37.083 38.000 -0.753 0.000 1.089 73 I HN 0.420 8.554 8.210 -0.126 0.000 0.468 74 D N -2.356 117.999 120.400 -0.076 0.000 2.379 74 D HA 0.094 4.711 4.640 -0.039 0.000 0.208 74 D C -0.670 175.629 176.300 -0.001 0.000 1.065 74 D CA 0.753 54.733 54.000 -0.034 0.000 0.848 74 D CB 1.840 42.626 40.800 -0.024 0.000 0.949 74 D HN -0.207 8.372 8.370 -0.067 -0.249 0.509 75 V N -0.928 118.993 119.914 0.012 0.000 2.760 75 V HA 0.072 4.205 4.120 0.023 0.000 0.309 75 V C -1.724 174.391 176.094 0.035 0.000 1.077 75 V CA -1.704 60.611 62.300 0.024 0.000 0.910 75 V CB 3.687 35.522 31.823 0.021 0.000 1.008 75 V HN -0.766 7.465 8.190 0.005 -0.038 0.424 76 L N 5.462 126.699 121.223 0.023 0.000 2.385 76 L HA -0.147 4.393 4.340 -0.005 -0.203 0.281 76 L C 0.222 177.088 176.870 -0.006 0.000 1.106 76 L CA 0.597 55.432 54.840 -0.008 0.000 0.856 76 L CB -0.557 41.472 42.059 -0.051 0.000 1.186 76 L HN 0.398 8.639 8.230 0.019 0.000 0.453 77 E N 4.863 125.066 120.200 0.006 0.000 2.460 77 E HA 0.088 4.448 4.350 0.018 0.000 0.200 77 E C 0.843 177.443 176.600 0.001 0.000 1.011 77 E CA 0.007 56.419 56.400 0.019 0.000 0.912 77 E CB 0.647 30.382 29.700 0.058 0.000 0.953 77 E HN 0.406 9.262 8.360 0.012 -0.489 0.494 78 G N -1.459 107.325 108.800 -0.027 0.000 2.284 78 G HA2 -0.327 3.594 3.960 -0.064 0.000 0.201 78 G HA3 -0.327 3.617 3.960 -0.026 0.000 0.201 78 G C 0.069 174.945 174.900 -0.039 0.000 0.998 78 G CA 0.393 45.468 45.100 -0.041 0.000 0.651 78 G HN 0.206 8.768 8.290 -0.044 -0.298 0.489 79 N N 0.258 118.948 118.700 -0.016 0.000 2.280 79 N HA 0.074 4.807 4.740 -0.013 0.000 0.192 79 N C -0.882 174.625 175.510 -0.005 0.000 1.109 79 N CA -0.333 52.715 53.050 -0.004 0.000 0.855 79 N CB 0.577 39.077 38.487 0.022 0.000 0.974 79 N HN 0.392 8.774 8.380 0.003 0.000 0.482 80 E N -0.191 119.982 120.200 -0.045 0.000 2.383 80 E HA 0.138 4.741 4.350 0.070 -0.210 0.264 80 E C -0.068 176.475 176.600 -0.095 0.000 1.050 80 E CA 0.658 57.032 56.400 -0.042 0.000 0.896 80 E CB 0.301 29.901 29.700 -0.167 0.000 0.982 80 E HN -0.356 7.899 8.360 -0.077 0.058 0.424 81 Q N 3.175 123.000 119.800 0.042 0.000 2.310 81 Q HA 0.326 4.637 4.340 -0.049 0.000 0.270 81 Q C -1.458 174.713 176.000 0.285 0.000 1.025 81 Q CA -1.339 54.497 55.803 0.056 0.000 0.772 81 Q CB 3.128 31.900 28.738 0.056 0.000 1.253 81 Q HN 0.455 8.713 8.270 0.150 0.101 0.450 82 F N 3.929 123.868 119.950 -0.019 0.000 2.385 82 F HA 0.731 5.423 4.527 -0.031 -0.183 0.360 82 F C 0.254 176.037 175.800 -0.028 0.000 1.122 82 F CA -3.295 54.688 58.000 -0.027 0.000 1.090 82 F CB 0.728 39.710 39.000 -0.031 0.000 1.150 82 F HN 0.310 8.675 8.300 0.109 0.000 0.472 83 I N 4.348 124.994 120.570 0.127 0.000 2.534 83 I HA 0.125 4.326 4.170 0.051 0.000 0.288 83 I C -1.564 174.553 176.117 -0.000 0.000 1.077 83 I CA -1.100 60.229 61.300 0.048 0.000 1.051 83 I CB 3.349 41.364 38.000 0.025 0.000 1.234 83 I HN 1.053 9.214 8.210 0.096 0.107 0.425 84 N N 6.530 125.223 118.700 -0.012 0.000 2.508 84 N HA 0.009 4.831 4.740 -0.041 -0.107 0.264 84 N C -0.542 174.934 175.510 -0.056 0.000 1.216 84 N CA -0.148 52.880 53.050 -0.035 0.000 0.943 84 N CB 0.829 39.298 38.487 -0.030 0.000 1.113 84 N HN 0.519 8.899 8.380 -0.001 0.000 0.447 85 A N 1.280 124.064 122.820 -0.061 0.000 2.450 85 A HA 0.143 4.533 4.320 -0.106 -0.133 0.255 85 A C -0.782 176.754 177.584 -0.081 0.000 1.096 85 A CA 0.277 52.267 52.037 -0.079 0.000 0.778 85 A CB 0.418 19.384 19.000 -0.057 0.000 1.031 85 A HN 0.285 8.404 8.150 -0.052 0.000 0.494 86 A N 4.374 127.123 122.820 -0.118 0.000 1.956 86 A HA 0.095 4.372 4.320 -0.071 0.000 0.212 86 A C -0.118 177.415 177.584 -0.085 0.000 1.188 86 A CA 1.105 53.080 52.037 -0.103 0.000 0.675 86 A CB 1.519 20.438 19.000 -0.135 0.000 0.845 86 A HN 0.880 8.820 8.150 -0.168 0.109 0.455 87 K N -2.750 117.581 120.400 -0.115 0.000 2.464 87 K HA 0.362 4.687 4.320 0.008 0.000 0.253 87 K C -2.281 174.327 176.600 0.013 0.000 0.933 87 K CA -1.149 55.114 56.287 -0.041 0.000 0.801 87 K CB 4.154 36.626 32.500 -0.046 0.000 1.271 87 K HN -0.692 7.446 8.250 -0.187 0.000 0.430 88 I N 2.598 123.236 120.570 0.113 0.000 2.497 88 I HA 0.495 4.931 4.170 0.176 -0.161 0.284 88 I C -0.897 175.372 176.117 0.254 0.000 1.060 88 I CA -0.622 60.794 61.300 0.192 0.000 1.071 88 I CB 1.943 40.062 38.000 0.198 0.000 1.216 88 I HN 0.265 8.550 8.210 0.124 0.000 0.442 89 I N 9.447 130.182 120.570 0.274 0.000 2.420 89 I HA 0.350 4.648 4.170 0.214 0.000 0.282 89 I C -1.048 175.261 176.117 0.319 0.000 1.019 89 I CA -1.264 60.199 61.300 0.271 0.000 1.130 89 I CB 2.308 40.470 38.000 0.271 0.000 1.262 89 I HN 1.084 9.470 8.210 0.293 0.000 0.454 90 T N 5.815 120.497 114.554 0.212 0.000 2.904 90 T HA -0.034 4.408 4.350 0.153 0.000 0.290 90 T C -0.173 174.636 174.700 0.182 0.000 1.018 90 T CA -1.140 61.047 62.100 0.144 0.000 1.075 90 T CB 1.134 69.995 68.868 -0.012 0.000 0.986 90 T HN 0.374 8.693 8.240 0.131 0.000 0.523 91 H N 4.324 123.335 119.070 -0.098 0.000 3.034 91 H HA -0.066 4.163 4.556 -0.545 0.000 0.324 91 H C 0.777 176.055 175.328 -0.085 0.000 1.015 91 H CA 0.749 56.572 56.048 -0.376 0.000 1.429 91 H CB 1.234 30.603 29.762 -0.655 0.000 1.429 91 H HN -0.039 8.240 8.280 -0.000 0.000 0.585 92 P HA -0.124 4.318 4.420 0.036 0.000 0.222 92 P C -0.648 176.717 177.300 0.107 0.000 1.147 92 P CA 1.518 64.604 63.100 -0.023 0.000 0.790 92 P CB 0.399 32.063 31.700 -0.059 0.000 0.780 93 N N -2.603 116.291 118.700 0.324 0.000 2.238 93 N HA 0.067 4.882 4.740 0.125 0.000 0.222 93 N C -0.618 175.012 175.510 0.200 0.000 1.133 93 N CA -0.545 52.652 53.050 0.245 0.000 0.854 93 N CB 0.279 38.895 38.487 0.215 0.000 1.041 93 N HN -0.359 8.417 8.380 0.717 0.033 0.510 94 F N 3.463 123.454 119.950 0.068 0.000 2.608 94 F HA -0.259 4.524 4.527 -0.069 -0.298 0.380 94 F C -0.304 175.480 175.800 -0.027 0.000 1.083 94 F CA 1.251 59.239 58.000 -0.019 0.000 1.266 94 F CB 0.350 39.345 39.000 -0.008 0.000 1.076 94 F HN -0.541 7.825 8.300 0.396 0.172 0.574 95 N N 7.271 125.565 118.700 -0.677 0.000 2.479 95 N HA 0.135 4.542 4.740 -0.556 0.000 0.261 95 N C -0.741 174.112 175.510 -1.095 0.000 0.979 95 N CA -1.065 51.574 53.050 -0.685 0.000 0.930 95 N CB 2.354 40.641 38.487 -0.334 0.000 1.172 95 N HN 0.049 8.174 8.380 -0.425 0.000 0.499 96 G N 4.990 113.170 108.800 -1.033 0.000 2.598 96 G HA2 -0.225 3.198 3.960 -0.896 0.000 0.215 96 G HA3 -0.225 3.464 3.960 -0.452 0.000 0.215 96 G C 0.368 175.041 174.900 -0.378 0.000 1.131 96 G CA 1.215 45.886 45.100 -0.715 0.000 0.785 96 G HN 0.570 8.387 8.290 -0.788 0.000 0.539 97 N N 1.613 120.103 118.700 -0.351 0.000 2.240 97 N HA -0.022 4.578 4.740 -0.233 0.000 0.187 97 N C 1.759 177.069 175.510 -0.334 0.000 1.042 97 N CA 1.622 54.509 53.050 -0.272 0.000 0.861 97 N CB 0.698 39.061 38.487 -0.206 0.000 1.026 97 N HN -0.059 8.310 8.380 -0.387 -0.221 0.441 98 T N -3.765 110.590 114.554 -0.331 0.000 3.088 98 T HA -0.095 4.020 4.350 -0.391 0.000 0.259 98 T C 0.433 174.866 174.700 -0.444 0.000 1.122 98 T CA 1.103 62.992 62.100 -0.352 0.000 1.095 98 T CB 1.181 69.915 68.868 -0.223 0.000 0.930 98 T HN -0.293 8.083 8.240 -0.307 -0.320 0.508 99 L N -3.858 117.135 121.223 -0.383 0.000 4.429 99 L HA -0.483 3.922 4.340 -0.062 -0.101 0.422 99 L C -1.548 175.334 176.870 0.020 0.000 1.149 99 L CA 0.735 55.466 54.840 -0.182 0.000 0.972 99 L CB -2.499 39.371 42.059 -0.315 0.000 2.059 99 L HN -0.336 7.597 8.230 -0.410 0.052 0.870 100 D N -1.116 119.254 120.400 -0.050 0.000 2.414 100 D HA -0.188 4.507 4.640 0.092 0.000 0.242 100 D C 0.362 176.715 176.300 0.088 0.000 1.129 100 D CA 1.328 55.349 54.000 0.035 0.000 0.885 100 D CB 1.064 41.853 40.800 -0.018 0.000 1.198 100 D HN -0.705 7.510 8.370 -0.156 0.062 0.437 101 N N -0.166 118.570 118.700 0.060 0.000 2.738 101 N HA -0.513 4.096 4.740 -0.219 0.000 0.249 101 N C -1.477 174.007 175.510 -0.043 0.000 1.047 101 N CA 1.278 54.252 53.050 -0.127 0.000 0.707 101 N CB -1.454 36.819 38.487 -0.357 0.000 0.937 101 N HN 0.474 8.916 8.380 0.102 0.000 0.545 102 D N -0.718 119.702 120.400 0.033 0.000 2.551 102 D HA 0.073 4.613 4.640 -0.165 0.000 0.223 102 D C -2.043 174.131 176.300 -0.210 0.000 1.144 102 D CA -0.291 53.700 54.000 -0.015 0.000 1.025 102 D CB -0.567 40.368 40.800 0.226 0.000 1.085 102 D HN -0.249 8.163 8.370 0.069 0.000 0.506 103 I N 2.781 123.158 120.570 -0.321 0.000 2.752 103 I HA 0.674 4.950 4.170 -0.153 -0.198 0.295 103 I C -3.049 173.016 176.117 -0.087 0.000 1.219 103 I CA -1.326 59.829 61.300 -0.241 0.000 1.030 103 I CB 4.186 41.922 38.000 -0.439 0.000 1.259 103 I HN -0.022 7.943 8.210 -0.352 0.034 0.423 104 M N 6.531 126.187 119.600 0.094 0.000 2.421 104 M HA 0.606 5.440 4.480 0.328 -0.157 0.287 104 M C -2.809 173.671 176.300 0.300 0.000 1.183 104 M CA -0.775 54.657 55.300 0.221 0.000 0.916 104 M CB 4.712 37.370 32.600 0.098 0.000 1.701 104 M HN 0.352 8.694 8.290 0.085 0.000 0.470 105 L N 3.434 124.876 121.223 0.364 0.000 2.334 105 L HA 0.825 5.514 4.340 0.303 -0.167 0.276 105 L C -1.465 175.624 176.870 0.364 0.000 1.014 105 L CA -1.422 53.623 54.840 0.341 0.000 0.815 105 L CB 3.680 45.873 42.059 0.225 0.000 1.268 105 L HN 0.849 9.234 8.230 0.429 0.102 0.428 106 I N 1.179 121.944 120.570 0.325 0.000 2.447 106 I HA 0.550 4.971 4.170 0.093 -0.194 0.287 106 I C -1.620 174.433 176.117 -0.106 0.000 1.023 106 I CA -1.377 59.993 61.300 0.116 0.000 1.083 106 I CB 3.189 41.225 38.000 0.061 0.000 1.245 106 I HN 0.824 9.258 8.210 0.373 0.000 0.434 107 K N 7.523 127.593 120.400 -0.551 0.000 2.201 107 K HA 0.562 4.136 4.320 -1.554 -0.186 0.278 107 K C -0.819 175.466 176.600 -0.525 0.000 1.027 107 K CA -1.441 54.188 56.287 -1.098 0.000 0.909 107 K CB 2.161 33.822 32.500 -1.399 0.000 1.062 107 K HN 0.614 8.542 8.250 -0.351 0.111 0.465 108 L N 6.522 127.481 121.223 -0.440 0.000 2.417 108 L HA -0.026 4.210 4.340 -0.173 0.000 0.268 108 L C 0.365 177.111 176.870 -0.207 0.000 1.158 108 L CA 0.564 55.265 54.840 -0.232 0.000 0.819 108 L CB 0.390 42.357 42.059 -0.154 0.000 1.112 108 L HN 0.618 8.405 8.230 -0.554 0.110 0.458 109 S N 2.266 117.888 115.700 -0.130 0.000 2.453 109 S HA -0.204 4.198 4.470 -0.114 0.000 0.231 109 S C -0.495 174.060 174.600 -0.076 0.000 1.005 109 S CA 2.450 60.592 58.200 -0.097 0.000 0.949 109 S CB 0.490 63.653 63.200 -0.063 0.000 0.774 109 S HN 0.582 8.829 8.310 -0.105 0.000 0.510 110 S N -1.173 114.488 115.700 -0.065 0.000 2.595 110 S HA 0.318 4.759 4.470 -0.048 0.000 0.281 110 S C -2.906 171.667 174.600 -0.045 0.000 1.117 110 S CA -2.613 55.559 58.200 -0.046 0.000 0.873 110 S CB 1.590 64.776 63.200 -0.024 0.000 1.108 110 S HN -0.809 7.432 8.310 -0.069 0.028 0.477 111 P HA -0.089 4.433 4.420 -0.028 -0.118 0.271 111 P C -1.046 176.254 177.300 0.001 0.000 1.216 111 P CA -0.318 62.773 63.100 -0.014 0.000 0.771 111 P CB 0.477 32.179 31.700 0.003 0.000 0.864 112 A N 4.282 127.109 122.820 0.012 0.000 2.531 112 A HA -0.126 4.312 4.320 0.026 -0.102 0.236 112 A C 0.239 177.841 177.584 0.029 0.000 1.062 112 A CA 0.278 52.332 52.037 0.028 0.000 0.760 112 A CB 0.784 19.811 19.000 0.045 0.000 0.995 112 A HN 0.559 8.715 8.150 0.010 0.000 0.501 113 T N 4.645 119.215 114.554 0.027 0.000 2.729 113 T HA -0.055 4.309 4.350 0.023 0.000 0.296 113 T C -1.024 173.694 174.700 0.031 0.000 0.928 113 T CA 0.835 62.949 62.100 0.024 0.000 1.045 113 T CB 0.193 69.070 68.868 0.015 0.000 0.902 113 T HN 0.069 8.671 8.240 0.026 -0.347 0.500 114 L N 7.730 128.973 121.223 0.034 0.000 2.326 114 L HA 0.218 4.758 4.340 0.047 -0.173 0.278 114 L C -0.439 176.451 176.870 0.033 0.000 1.092 114 L CA -0.358 54.506 54.840 0.040 0.000 0.810 114 L CB 0.546 42.632 42.059 0.045 0.000 1.153 114 L HN 0.349 8.598 8.230 0.031 0.000 0.439 115 N N 3.960 122.681 118.700 0.034 0.000 3.526 115 N HA 0.141 4.896 4.740 0.024 0.000 0.328 115 N C -0.594 174.933 175.510 0.029 0.000 1.601 115 N CA -0.532 52.534 53.050 0.027 0.000 0.834 115 N CB 0.363 38.862 38.487 0.020 0.000 1.983 115 N HN 0.494 8.790 8.380 0.041 0.109 0.579 116 S N -1.878 113.835 115.700 0.022 0.000 2.423 116 S HA -0.203 4.282 4.470 0.026 0.000 0.231 116 S C 0.627 175.239 174.600 0.019 0.000 1.014 116 S CA 2.540 60.753 58.200 0.020 0.000 0.965 116 S CB -0.062 63.145 63.200 0.012 0.000 0.785 116 S HN 0.254 8.575 8.310 0.017 0.000 0.495 117 R N -1.594 118.917 120.500 0.019 0.000 2.290 117 R HA 0.188 4.531 4.340 0.004 0.000 0.197 117 R C -1.118 175.200 176.300 0.030 0.000 0.913 117 R CA 0.183 56.293 56.100 0.016 0.000 1.040 117 R CB 1.462 31.772 30.300 0.017 0.000 0.992 117 R HN -0.480 7.984 8.270 0.019 -0.183 0.500 118 V N -0.716 119.223 119.914 0.041 0.000 2.488 118 V HA 0.481 4.837 4.120 0.063 -0.198 0.293 118 V C -2.230 173.906 176.094 0.070 0.000 1.027 118 V CA -1.916 60.419 62.300 0.058 0.000 0.862 118 V CB 1.916 33.774 31.823 0.058 0.000 1.008 118 V HN -0.419 7.853 8.190 0.038 -0.060 0.428 119 A N 6.980 129.858 122.820 0.096 0.000 2.572 119 A HA 0.595 4.969 4.320 0.091 0.000 0.295 119 A C -2.729 174.951 177.584 0.160 0.000 1.072 119 A CA -0.949 51.156 52.037 0.113 0.000 0.691 119 A CB 3.171 22.238 19.000 0.111 0.000 1.291 119 A HN 0.323 8.417 8.150 0.104 0.118 0.404 120 T N -1.713 112.918 114.554 0.128 0.000 2.868 120 T HA 0.345 4.980 4.350 0.151 -0.194 0.292 120 T C -0.276 174.487 174.700 0.104 0.000 1.028 120 T CA -1.061 61.113 62.100 0.124 0.000 1.059 120 T CB 1.004 69.922 68.868 0.083 0.000 0.991 120 T HN -0.096 8.204 8.240 0.100 0.000 0.531 121 V N 1.607 121.536 119.914 0.025 0.000 2.513 121 V HA 0.217 4.265 4.120 -0.120 0.000 0.299 121 V C -1.076 174.961 176.094 -0.096 0.000 1.035 121 V CA -1.849 60.361 62.300 -0.149 0.000 0.889 121 V CB 3.597 35.079 31.823 -0.568 0.000 0.988 121 V HN 0.206 8.427 8.190 0.052 0.000 0.440 122 S N 6.875 122.520 115.700 -0.091 0.000 2.560 122 S HA -0.035 4.418 4.470 -0.029 0.000 0.284 122 S C -0.266 174.299 174.600 -0.057 0.000 1.327 122 S CA 0.442 58.610 58.200 -0.053 0.000 1.055 122 S CB 0.693 63.867 63.200 -0.044 0.000 0.868 122 S HN 0.281 8.529 8.310 -0.103 0.000 0.506 123 L N 5.181 126.390 121.223 -0.025 0.000 2.476 123 L HA 0.041 4.375 4.340 -0.009 0.000 0.255 123 L C -1.109 175.756 176.870 -0.008 0.000 1.218 123 L CA -1.395 53.440 54.840 -0.008 0.000 0.819 123 L CB -0.674 41.394 42.059 0.014 0.000 1.119 123 L HN 0.222 8.442 8.230 -0.016 0.000 0.485 124 P HA 0.003 4.551 4.420 -0.010 -0.134 0.271 124 P C -0.955 176.347 177.300 0.004 0.000 1.216 124 P CA -0.292 62.810 63.100 0.003 0.000 0.771 124 P CB 0.402 32.112 31.700 0.017 0.000 0.864 128 c N 1.601 120.202 118.600 0.002 0.000 2.700 128 c HA 0.010 4.584 4.570 0.008 0.000 0.397 128 c C 0.621 174.708 174.090 -0.005 0.000 1.301 128 c CA -0.167 56.164 56.329 0.003 0.000 2.219 128 c CB 0.087 42.599 42.510 0.004 0.000 2.699 128 c HN 0.046 8.276 8.230 -0.000 0.000 0.669 129 A N 1.446 124.261 122.820 -0.009 0.000 2.310 129 A HA 0.088 4.398 4.320 -0.017 0.000 0.299 129 A C -0.914 176.660 177.584 -0.017 0.000 1.147 129 A CA -0.572 51.455 52.037 -0.017 0.000 0.818 129 A CB 1.048 20.032 19.000 -0.028 0.000 1.096 129 A HN 0.218 8.364 8.150 -0.005 0.000 0.495 133 G N 1.791 110.562 108.800 -0.047 0.000 2.199 133 G HA2 -0.405 3.518 3.960 -0.062 0.000 0.254 133 G HA3 -0.405 3.534 3.960 -0.035 0.000 0.254 133 G C -0.134 174.738 174.900 -0.047 0.000 0.982 133 G CA -0.084 44.987 45.100 -0.048 0.000 0.632 133 G HN 0.711 8.856 8.290 -0.059 0.110 0.529 134 T N 4.010 118.536 114.554 -0.047 0.000 2.902 134 T HA -0.205 4.126 4.350 -0.031 0.000 0.301 134 T C -0.702 173.965 174.700 -0.055 0.000 1.012 134 T CA 1.654 63.728 62.100 -0.043 0.000 1.151 134 T CB 0.673 69.516 68.868 -0.041 0.000 0.946 134 T HN -0.433 7.708 8.240 -0.046 0.071 0.542 135 E N 5.585 125.762 120.200 -0.037 0.000 2.338 135 E HA -0.015 4.306 4.350 -0.048 0.000 0.272 135 E C -0.682 175.898 176.600 -0.033 0.000 1.029 135 E CA -0.030 56.352 56.400 -0.031 0.000 0.872 135 E CB 0.653 30.352 29.700 -0.002 0.000 1.015 135 E HN 0.258 8.603 8.360 -0.025 0.000 0.417 136 c N 1.699 120.273 118.600 -0.043 0.000 2.971 136 c HA 0.611 5.295 4.570 -0.035 -0.135 0.310 136 c C -1.545 172.538 174.090 -0.012 0.000 1.285 136 c CA -1.164 55.137 56.329 -0.048 0.000 1.593 136 c CB 4.279 46.721 42.510 -0.112 0.000 2.076 136 c HN 0.804 8.895 8.230 -0.051 0.108 0.472 137 L N 1.254 122.478 121.223 0.002 0.000 2.325 137 L HA 0.827 5.375 4.340 0.045 -0.181 0.281 137 L C -2.180 174.693 176.870 0.005 0.000 1.004 137 L CA -1.327 53.533 54.840 0.032 0.000 0.823 137 L CB 3.199 45.304 42.059 0.077 0.000 1.236 137 L HN 0.768 8.884 8.230 -0.007 0.109 0.415 138 I N 7.193 127.753 120.570 -0.017 0.000 2.441 138 I HA 0.839 5.226 4.170 -0.010 -0.223 0.295 138 I C -1.277 174.810 176.117 -0.051 0.000 0.994 138 I CA -1.527 59.759 61.300 -0.023 0.000 1.144 138 I CB 1.903 39.890 38.000 -0.020 0.000 1.314 138 I HN 0.949 9.154 8.210 -0.008 0.000 0.445 139 S N 2.903 118.571 115.700 -0.052 0.000 2.564 139 S HA 0.982 5.486 4.470 -0.214 -0.162 0.274 139 S C -1.198 173.301 174.600 -0.168 0.000 1.124 139 S CA -1.611 56.490 58.200 -0.165 0.000 0.869 139 S CB 3.599 66.669 63.200 -0.217 0.000 1.105 139 S HN -0.141 8.172 8.310 0.005 0.000 0.472 140 G N -0.519 108.090 108.800 -0.318 0.000 2.316 140 G HA2 0.168 3.923 3.960 -0.342 0.000 0.296 140 G HA3 0.168 4.235 3.960 -0.041 -0.132 0.296 140 G C -2.221 172.457 174.900 -0.371 0.000 1.399 140 G CA 0.546 45.483 45.100 -0.271 0.000 0.833 140 G HN 0.328 8.359 8.290 -0.432 0.000 0.565 141 W N 0.938 122.157 121.300 -0.136 0.000 3.194 141 W HA 0.315 4.872 4.660 -0.171 0.000 0.408 141 W C -0.065 176.421 176.519 -0.054 0.000 1.072 141 W CA -0.836 56.368 57.345 -0.235 0.000 1.953 141 W CB 0.294 29.392 29.460 -0.603 0.000 1.091 141 W HN 0.596 8.955 8.180 0.298 0.000 0.699 142 G N 0.882 109.805 108.800 0.205 0.000 2.653 142 G HA2 -0.122 4.148 3.960 0.446 0.000 0.265 142 G HA3 -0.122 4.210 3.960 0.173 -0.268 0.265 142 G C -0.831 174.014 174.900 -0.092 0.000 1.237 142 G CA -0.653 44.575 45.100 0.213 0.000 0.946 142 G HN -0.176 8.432 8.290 0.122 -0.245 0.522 143 N N -0.300 118.179 118.700 -0.369 0.000 2.412 143 N HA -0.316 3.823 4.740 -1.280 -0.167 0.254 143 N C 0.700 176.025 175.510 -0.308 0.000 1.232 143 N CA 0.946 53.566 53.050 -0.717 0.000 0.880 143 N CB 0.528 38.688 38.487 -0.544 0.000 1.076 143 N HN -0.030 8.284 8.380 -0.109 0.000 0.458 144 T N -1.290 113.100 114.554 -0.273 0.000 3.054 144 T HA 0.195 4.598 4.350 -0.117 -0.123 0.255 144 T C 0.270 174.907 174.700 -0.106 0.000 1.035 144 T CA 0.396 62.409 62.100 -0.145 0.000 0.941 144 T CB 1.329 70.129 68.868 -0.113 0.000 1.026 144 T HN 0.507 8.534 8.240 -0.355 0.000 0.533 145 K N 3.483 123.812 120.400 -0.119 0.000 2.159 145 K HA 0.320 4.609 4.320 -0.051 0.000 0.266 145 K C 0.386 176.957 176.600 -0.050 0.000 0.975 145 K CA -1.923 54.323 56.287 -0.069 0.000 0.865 145 K CB 1.060 33.524 32.500 -0.060 0.000 1.087 145 K HN -0.468 7.978 8.250 -0.180 -0.303 0.446 146 S N 1.398 117.082 115.700 -0.027 0.000 2.522 146 S HA -0.169 4.296 4.470 -0.009 0.000 0.227 146 S C -0.499 174.098 174.600 -0.005 0.000 0.986 146 S CA 1.595 59.788 58.200 -0.010 0.000 0.929 146 S CB 0.704 63.903 63.200 -0.001 0.000 0.769 146 S HN 0.341 8.636 8.310 -0.024 0.000 0.529 147 S N -0.384 115.311 115.700 -0.008 0.000 2.572 147 S HA 0.166 4.637 4.470 0.002 0.000 0.274 147 S C -0.576 174.024 174.600 -0.001 0.000 1.150 147 S CA 0.084 58.283 58.200 -0.001 0.000 0.944 147 S CB 2.793 65.996 63.200 0.004 0.000 1.071 147 S HN -0.819 7.433 8.310 -0.014 0.049 0.479 148 G N 3.301 112.106 108.800 0.007 0.000 2.584 148 G HA2 -0.271 3.705 3.960 0.026 0.000 0.229 148 G HA3 -0.271 3.697 3.960 0.014 0.000 0.229 148 G C -1.964 172.944 174.900 0.013 0.000 1.320 148 G CA -0.456 44.653 45.100 0.016 0.000 0.891 148 G HN -0.025 8.271 8.290 0.010 0.000 0.573 149 S N 0.209 115.925 115.700 0.028 0.000 2.575 149 S HA 0.140 4.778 4.470 -0.065 -0.207 0.278 149 S C -1.730 172.880 174.600 0.015 0.000 1.139 149 S CA -0.389 57.828 58.200 0.029 0.000 0.954 149 S CB 2.371 65.690 63.200 0.199 0.000 1.054 149 S HN 0.052 8.385 8.310 0.037 0.000 0.483 150 S N 4.332 119.966 115.700 -0.111 0.000 2.677 150 S HA 0.252 4.767 4.470 0.074 0.000 0.283 150 S C -2.181 172.294 174.600 -0.209 0.000 1.159 150 S CA -0.297 57.872 58.200 -0.051 0.000 1.001 150 S CB 1.527 64.703 63.200 -0.039 0.000 1.032 150 S HN 0.303 8.777 8.310 -0.286 -0.335 0.487 151 Y N 5.392 125.715 120.300 0.039 0.000 2.342 151 Y HA 0.211 4.796 4.550 0.059 0.000 0.338 151 Y C -1.442 174.484 175.900 0.045 0.000 0.965 151 Y CA -2.827 55.304 58.100 0.052 0.000 1.159 151 Y CB 0.979 39.478 38.460 0.064 0.000 1.157 151 Y HN 0.112 8.570 8.280 0.296 0.000 0.486 152 P HA 0.208 4.667 4.420 0.065 0.000 0.277 152 P C -0.383 177.008 177.300 0.153 0.000 1.240 152 P CA -0.823 62.337 63.100 0.100 0.000 0.798 152 P CB 1.056 32.782 31.700 0.042 0.000 0.979 153 S N -1.176 114.580 115.700 0.093 0.000 2.395 153 S HA -0.179 4.427 4.470 0.044 -0.109 0.225 153 S C -0.322 174.362 174.600 0.140 0.000 1.027 153 S CA 0.707 58.949 58.200 0.071 0.000 0.965 153 S CB 0.710 63.921 63.200 0.018 0.000 0.812 153 S HN 0.231 8.575 8.310 0.058 0.000 0.482 154 L N 0.188 121.436 121.223 0.043 0.000 2.322 154 L HA 0.368 4.704 4.340 -0.315 -0.185 0.279 154 L C -0.116 176.628 176.870 -0.209 0.000 1.036 154 L CA -1.642 53.089 54.840 -0.183 0.000 0.807 154 L CB 1.847 43.751 42.059 -0.258 0.000 1.226 154 L HN -0.838 7.404 8.230 0.020 0.000 0.433 155 L N 3.140 124.122 121.223 -0.401 0.000 2.540 155 L HA -0.146 3.174 4.340 -1.700 0.000 0.276 155 L C -1.073 175.518 176.870 -0.465 0.000 1.212 155 L CA 0.840 55.170 54.840 -0.850 0.000 0.893 155 L CB 0.668 42.302 42.059 -0.708 0.000 1.138 155 L HN -0.215 7.773 8.230 -0.404 0.000 0.491 156 Q N 5.043 124.540 119.800 -0.506 0.000 2.226 156 Q HA 0.522 4.805 4.340 -0.330 -0.141 0.256 156 Q C -0.997 174.743 176.000 -0.433 0.000 0.962 156 Q CA -1.797 53.780 55.803 -0.376 0.000 0.887 156 Q CB 2.683 31.255 28.738 -0.276 0.000 1.282 156 Q HN 0.057 7.933 8.270 -0.656 0.000 0.449 157 c N -0.386 117.864 118.600 -0.583 0.000 2.802 157 c HA 0.922 5.423 4.570 -0.399 -0.170 0.307 157 c C -1.833 171.867 174.090 -0.651 0.000 1.222 157 c CA -0.680 55.250 56.329 -0.665 0.000 1.580 157 c CB 3.992 45.944 42.510 -0.930 0.000 2.119 157 c HN 0.769 8.588 8.230 -0.685 0.000 0.479 158 L N 0.617 121.682 121.223 -0.263 0.000 2.543 158 L HA 0.384 4.755 4.340 0.053 0.000 0.265 158 L C -2.515 174.426 176.870 0.117 0.000 0.945 158 L CA 0.164 54.995 54.840 -0.014 0.000 0.869 158 L CB 4.377 46.453 42.059 0.028 0.000 1.294 158 L HN 0.663 8.783 8.230 -0.184 0.000 0.405 159 K N 6.837 127.382 120.400 0.242 0.000 2.227 159 K HA 0.701 5.316 4.320 0.143 -0.209 0.280 159 K C -0.912 175.850 176.600 0.271 0.000 1.041 159 K CA -1.324 55.089 56.287 0.210 0.000 0.905 159 K CB 0.155 32.780 32.500 0.208 0.000 1.068 159 K HN 0.300 8.738 8.250 0.312 0.000 0.470 160 A N 3.809 126.699 122.820 0.116 0.000 2.574 160 A HA 0.517 4.803 4.320 -0.058 0.000 0.297 160 A C -3.551 173.914 177.584 -0.198 0.000 1.062 160 A CA -1.981 50.022 52.037 -0.058 0.000 0.686 160 A CB 2.759 21.719 19.000 -0.066 0.000 1.285 160 A HN 0.722 8.901 8.150 0.048 0.000 0.403 161 P HA 0.660 5.187 4.420 -0.149 -0.197 0.287 161 P C -0.993 176.171 177.300 -0.226 0.000 1.270 161 P CA -1.621 61.341 63.100 -0.230 0.000 0.844 161 P CB 1.330 32.902 31.700 -0.214 0.000 1.068 162 V N 2.014 121.836 119.914 -0.152 0.000 2.540 162 V HA -0.197 3.961 4.120 -0.134 -0.118 0.297 162 V C 0.355 176.386 176.094 -0.104 0.000 1.024 162 V CA 2.028 64.256 62.300 -0.120 0.000 1.105 162 V CB -0.404 31.369 31.823 -0.083 0.000 0.938 162 V HN 0.285 8.401 8.190 -0.123 0.000 0.482 163 L N 7.596 128.767 121.223 -0.087 0.000 2.421 163 L HA 0.192 4.481 4.340 -0.084 0.000 0.263 163 L C -0.310 176.539 176.870 -0.035 0.000 1.122 163 L CA -0.630 54.169 54.840 -0.068 0.000 0.804 163 L CB 1.134 43.161 42.059 -0.054 0.000 1.150 163 L HN 0.391 8.465 8.230 -0.078 0.110 0.457 164 S N 0.129 115.813 115.700 -0.027 0.000 2.563 164 S HA -0.155 4.307 4.470 -0.013 0.000 0.294 164 S C 0.673 175.273 174.600 -0.000 0.000 1.279 164 S CA 0.139 58.332 58.200 -0.013 0.000 1.069 164 S CB 0.842 64.036 63.200 -0.010 0.000 0.828 164 S HN -0.053 8.238 8.310 -0.033 0.000 0.497 165 D N 3.176 123.579 120.400 0.005 0.000 2.265 165 D HA -0.291 4.362 4.640 0.022 0.000 0.208 165 D C 1.953 178.268 176.300 0.025 0.000 0.977 165 D CA 3.220 57.230 54.000 0.017 0.000 0.871 165 D CB -0.278 40.531 40.800 0.015 0.000 0.925 165 D HN 0.606 8.976 8.370 0.001 0.000 0.485 166 S N -0.507 115.203 115.700 0.017 0.000 2.345 166 S HA -0.177 4.307 4.470 0.022 0.000 0.219 166 S C 1.750 176.359 174.600 0.016 0.000 1.031 166 S CA 2.900 61.110 58.200 0.017 0.000 0.984 166 S CB -0.135 63.070 63.200 0.009 0.000 0.874 166 S HN -0.158 8.115 8.310 0.010 0.042 0.451 167 S N 3.134 118.838 115.700 0.008 0.000 2.419 167 S HA -0.331 4.136 4.470 -0.005 0.000 0.235 167 S C 1.660 176.268 174.600 0.014 0.000 1.019 167 S CA 2.845 61.046 58.200 0.001 0.000 0.982 167 S CB -0.361 62.835 63.200 -0.007 0.000 0.789 167 S HN -0.542 7.690 8.310 0.004 0.080 0.490 168 c N 1.622 120.244 118.600 0.036 0.000 2.462 168 c HA -0.238 4.393 4.570 0.103 0.000 0.278 168 c C 2.161 176.327 174.090 0.126 0.000 1.253 168 c CA 2.446 58.825 56.329 0.083 0.000 1.713 168 c CB -1.761 40.787 42.510 0.063 0.000 2.049 168 c HN 0.147 8.363 8.230 0.028 0.031 0.477 169 K N -0.822 119.632 120.400 0.091 0.000 2.148 169 K HA -0.316 4.095 4.320 0.151 0.000 0.204 169 K C 2.393 179.039 176.600 0.077 0.000 1.050 169 K CA 2.922 59.271 56.287 0.103 0.000 0.942 169 K CB -0.079 32.463 32.500 0.070 0.000 0.724 169 K HN -0.484 7.736 8.250 0.063 0.068 0.446 170 S N -1.305 114.413 115.700 0.031 0.000 2.423 170 S HA -0.162 4.311 4.470 0.005 0.000 0.231 170 S C 1.124 175.692 174.600 -0.052 0.000 1.014 170 S CA 2.947 61.145 58.200 -0.004 0.000 0.965 170 S CB -0.214 62.976 63.200 -0.017 0.000 0.785 170 S HN 0.292 8.519 8.310 0.028 0.100 0.495 171 S N -1.077 114.568 115.700 -0.092 0.000 2.428 171 S HA -0.116 4.176 4.470 -0.297 0.000 0.230 171 S C -1.312 172.979 174.600 -0.515 0.000 1.014 171 S CA 2.875 60.876 58.200 -0.331 0.000 0.957 171 S CB 1.001 63.945 63.200 -0.427 0.000 0.784 171 S HN -0.745 7.432 8.310 -0.028 0.117 0.499 172 Y N -2.334 117.987 120.300 0.035 0.000 2.535 172 Y HA 0.360 4.958 4.550 0.081 0.000 0.351 172 Y C -2.783 173.170 175.900 0.088 0.000 1.050 172 Y CA -3.521 54.635 58.100 0.094 0.000 1.168 172 Y CB 0.420 38.995 38.460 0.193 0.000 1.116 172 Y HN -0.953 7.287 8.280 0.134 0.120 0.654 173 P HA -0.099 4.502 4.420 0.088 -0.129 0.261 173 P C 0.821 178.184 177.300 0.105 0.000 1.183 173 P CA 1.075 64.231 63.100 0.094 0.000 0.761 173 P CB 0.039 31.764 31.700 0.042 0.000 0.785 174 G N 4.417 113.273 108.800 0.093 0.000 2.184 174 G HA2 -0.367 3.628 3.960 0.057 0.000 0.264 174 G HA3 -0.367 3.625 3.960 0.052 0.000 0.264 174 G C 0.209 175.161 174.900 0.088 0.000 0.975 174 G CA 0.566 45.709 45.100 0.072 0.000 0.642 174 G HN 0.542 8.884 8.290 0.087 0.000 0.536 175 Q N -2.057 117.837 119.800 0.156 0.000 2.246 175 Q HA 0.101 4.484 4.340 0.072 0.000 0.222 175 Q C -0.588 175.564 176.000 0.252 0.000 0.851 175 Q CA -0.420 55.488 55.803 0.175 0.000 0.945 175 Q CB 1.537 30.431 28.738 0.260 0.000 1.122 175 Q HN -0.124 8.207 8.270 0.202 0.061 0.508 176 I N 0.916 121.619 120.570 0.223 0.000 2.297 176 I HA 0.187 4.519 4.170 0.270 0.000 0.291 176 I C -0.137 176.059 176.117 0.132 0.000 1.033 176 I CA -2.577 58.844 61.300 0.201 0.000 1.253 176 I CB -1.320 36.773 38.000 0.156 0.000 1.396 176 I HN -0.310 8.013 8.210 0.188 0.000 0.476 177 T N 3.722 118.354 114.554 0.131 0.000 2.810 177 T HA 0.230 4.618 4.350 0.063 0.000 0.277 177 T C 1.401 176.145 174.700 0.074 0.000 0.973 177 T CA -1.556 60.593 62.100 0.083 0.000 0.949 177 T CB 2.054 70.965 68.868 0.071 0.000 1.075 177 T HN -0.489 7.857 8.240 0.177 0.000 0.537 178 G N -0.949 107.879 108.800 0.046 0.000 2.625 178 G HA2 -0.146 3.835 3.960 0.035 0.000 0.214 178 G HA3 -0.146 3.821 3.960 0.013 0.000 0.214 178 G C -0.037 174.888 174.900 0.042 0.000 1.132 178 G CA 1.029 46.149 45.100 0.033 0.000 0.782 178 G HN 0.525 8.835 8.290 0.034 0.000 0.538 179 N N -0.454 118.291 118.700 0.075 0.000 2.251 179 N HA 0.108 4.915 4.740 0.112 0.000 0.217 179 N C -1.516 174.102 175.510 0.180 0.000 1.124 179 N CA -0.524 52.608 53.050 0.136 0.000 0.843 179 N CB 0.737 39.337 38.487 0.190 0.000 1.024 179 N HN -0.492 7.867 8.380 0.079 0.068 0.501 180 M N -1.218 118.463 119.600 0.135 0.000 2.501 180 M HA 0.770 5.535 4.480 0.141 -0.201 0.293 180 M C -1.863 174.488 176.300 0.086 0.000 1.192 180 M CA -0.309 55.066 55.300 0.125 0.000 0.886 180 M CB 5.014 37.698 32.600 0.140 0.000 1.710 180 M HN -0.718 7.554 8.290 0.107 0.082 0.457 181 I N -6.917 113.703 120.570 0.084 0.000 2.828 181 I HA 0.625 4.824 4.170 0.048 0.000 0.302 181 I C -2.436 173.733 176.117 0.088 0.000 1.101 181 I CA -2.486 58.855 61.300 0.069 0.000 1.031 181 I CB 3.954 41.990 38.000 0.059 0.000 1.231 181 I HN 0.741 9.016 8.210 0.108 0.000 0.427 182 c N 2.484 121.121 118.600 0.061 0.000 2.358 182 c HA 0.864 5.733 4.570 0.154 -0.206 0.342 182 c C -0.475 173.648 174.090 0.056 0.000 1.234 182 c CA -1.092 55.291 56.329 0.090 0.000 1.969 182 c CB 0.936 43.478 42.510 0.054 0.000 2.346 182 c HN 0.784 9.036 8.230 0.037 0.000 0.525 183 V N 3.653 123.622 119.914 0.093 0.000 2.443 183 V HA 0.510 4.712 4.120 -0.155 -0.175 0.272 183 V C -2.048 174.005 176.094 -0.069 0.000 1.002 183 V CA -0.918 61.310 62.300 -0.120 0.000 0.840 183 V CB 0.580 32.153 31.823 -0.416 0.000 1.042 183 V HN 0.081 8.462 8.190 0.318 0.000 0.446 184 F N 3.957 123.933 119.950 0.042 0.000 2.402 184 F HA 0.350 4.890 4.527 0.021 0.000 0.355 184 F C 0.520 176.335 175.800 0.025 0.000 1.123 184 F CA -0.881 57.136 58.000 0.028 0.000 1.021 184 F CB 1.743 40.759 39.000 0.026 0.000 1.160 184 F HN 0.168 8.600 8.300 0.220 0.000 0.451 185 L N 3.474 124.786 121.223 0.149 0.000 2.275 185 L HA -0.289 4.090 4.340 0.065 0.000 0.215 185 L C 1.017 177.942 176.870 0.091 0.000 1.119 185 L CA 2.381 57.272 54.840 0.086 0.000 0.790 185 L CB -0.426 41.657 42.059 0.041 0.000 0.919 185 L HN 0.454 8.754 8.230 0.117 0.000 0.443 186 E N -2.788 117.485 120.200 0.121 0.000 2.516 186 E HA -0.166 4.217 4.350 0.054 0.000 0.199 186 E C 0.348 176.988 176.600 0.066 0.000 1.069 186 E CA 0.130 56.577 56.400 0.077 0.000 0.876 186 E CB -0.761 28.976 29.700 0.061 0.000 0.843 186 E HN 0.023 8.464 8.360 0.179 0.027 0.530 187 G N 1.285 110.144 108.800 0.098 0.000 3.413 187 G HA2 -0.405 3.639 3.960 0.104 0.000 0.556 187 G HA3 -0.405 3.669 3.960 0.060 -0.077 0.556 187 G C -0.836 174.089 174.900 0.041 0.000 0.870 187 G CA 0.387 45.534 45.100 0.080 0.000 0.729 187 G HN -0.522 7.783 8.290 0.142 0.070 0.428 188 K N 1.009 121.420 120.400 0.019 0.000 6.074 188 K HA -0.470 4.109 4.320 0.015 -0.251 0.850 188 K C -1.764 174.960 176.600 0.207 0.000 2.043 188 K CA 0.346 56.662 56.287 0.049 0.000 1.609 188 K CB -0.301 32.108 32.500 -0.152 0.000 2.376 188 K HN 0.157 8.452 8.250 0.074 0.000 0.262 189 D N 1.333 121.820 120.400 0.146 0.000 2.710 189 D HA 0.278 5.053 4.640 0.225 0.000 0.276 189 D C -1.792 174.584 176.300 0.125 0.000 1.267 189 D CA -0.740 53.360 54.000 0.167 0.000 0.772 189 D CB 4.053 44.936 40.800 0.138 0.000 1.299 189 D HN 0.269 8.692 8.370 0.089 0.000 0.421 190 S N -0.931 114.865 115.700 0.160 0.000 2.645 190 S HA 0.316 4.945 4.470 0.094 -0.103 0.266 190 S C -0.896 173.753 174.600 0.081 0.000 1.258 190 S CA -0.022 58.255 58.200 0.127 0.000 0.990 190 S CB 1.050 64.373 63.200 0.205 0.000 0.967 190 S HN 0.135 8.572 8.310 0.211 0.000 0.556 191 c N -2.107 116.538 118.600 0.076 0.000 3.335 191 c HA 0.131 4.737 4.570 0.060 0.000 0.356 191 c C -1.056 173.107 174.090 0.122 0.000 1.570 191 c CA -0.176 56.194 56.329 0.069 0.000 1.271 191 c CB 3.940 46.464 42.510 0.024 0.000 1.873 191 c HN 0.457 9.063 8.230 0.089 -0.322 0.439 192 Q N 0.909 120.795 119.800 0.144 0.000 2.310 192 Q HA -0.312 4.160 4.340 0.220 0.000 0.315 192 Q C 1.750 177.946 176.000 0.327 0.000 1.081 192 Q CA 2.325 58.265 55.803 0.228 0.000 0.981 192 Q CB -0.417 28.468 28.738 0.246 0.000 1.184 192 Q HN 0.567 8.902 8.270 0.108 0.000 0.389 193 G N 4.687 113.689 108.800 0.336 0.000 2.253 193 G HA2 -0.503 3.812 3.960 0.317 0.000 0.251 193 G HA3 -0.503 3.791 3.960 0.557 0.000 0.251 193 G C 0.812 175.952 174.900 0.399 0.000 0.998 193 G CA 1.280 46.625 45.100 0.407 0.000 0.621 193 G HN 0.473 8.936 8.290 0.288 0.000 0.524 194 D N 1.985 122.550 120.400 0.275 0.000 2.277 194 D HA -0.027 4.758 4.640 0.242 0.000 0.208 194 D C 0.335 176.752 176.300 0.195 0.000 0.962 194 D CA 1.475 55.605 54.000 0.218 0.000 0.865 194 D CB -0.049 40.843 40.800 0.153 0.000 0.939 194 D HN 0.247 8.672 8.370 0.242 0.089 0.510 195 S N -0.785 115.037 115.700 0.203 0.000 2.715 195 S HA -0.551 4.191 4.470 0.244 -0.126 0.318 195 S C 1.089 175.724 174.600 0.059 0.000 1.242 195 S CA 2.661 60.973 58.200 0.188 0.000 1.044 195 S CB -0.478 62.883 63.200 0.269 0.000 0.760 195 S HN -0.621 7.789 8.310 0.231 0.039 0.501 196 G N 4.745 113.574 108.800 0.048 0.000 2.225 196 G HA2 -0.448 3.567 3.960 -0.005 0.000 0.254 196 G HA3 -0.448 3.573 3.960 -0.061 -0.097 0.254 196 G C -0.319 174.624 174.900 0.072 0.000 0.988 196 G CA 0.343 45.445 45.100 0.004 0.000 0.625 196 G HN 0.975 9.223 8.290 0.119 0.114 0.527 197 G N 0.790 109.661 108.800 0.120 0.000 2.563 197 G HA2 0.382 4.496 3.960 0.138 0.000 0.283 197 G HA3 0.382 4.484 3.960 0.144 -0.056 0.283 197 G C -2.698 172.296 174.900 0.156 0.000 1.309 197 G CA -2.005 43.180 45.100 0.141 0.000 1.022 197 G HN -0.129 8.158 8.290 0.133 0.082 0.501 198 P HA 0.308 4.803 4.420 0.124 0.000 0.284 198 P C -1.451 175.906 177.300 0.094 0.000 1.258 198 P CA -0.716 62.476 63.100 0.153 0.000 0.824 198 P CB 1.861 33.731 31.700 0.283 0.000 1.038 199 V N 1.475 121.401 119.914 0.019 0.000 2.349 199 V HA 0.266 4.497 4.120 -0.085 -0.162 0.284 199 V C -1.469 174.580 176.094 -0.075 0.000 1.014 199 V CA -0.979 61.267 62.300 -0.091 0.000 0.826 199 V CB 1.356 33.014 31.823 -0.274 0.000 1.009 199 V HN -0.108 8.099 8.190 0.028 0.000 0.431 200 V N 7.053 126.935 119.914 -0.053 0.000 2.384 200 V HA 0.527 4.783 4.120 -0.114 -0.205 0.287 200 V C -1.209 174.851 176.094 -0.057 0.000 1.020 200 V CA -1.905 60.346 62.300 -0.083 0.000 0.850 200 V CB 1.698 33.444 31.823 -0.127 0.000 0.987 200 V HN 0.521 8.704 8.190 -0.013 0.000 0.436 201 c N 7.111 125.673 118.600 -0.064 0.000 2.396 201 c HA 0.575 5.239 4.570 -0.036 -0.116 0.321 201 c C 0.244 174.311 174.090 -0.039 0.000 1.233 201 c CA -1.527 54.773 56.329 -0.048 0.000 1.440 201 c CB 2.333 44.809 42.510 -0.057 0.000 2.110 201 c HN 0.979 9.163 8.230 -0.076 0.000 0.473 202 N N 5.402 124.087 118.700 -0.024 0.000 2.714 202 N HA -0.453 4.281 4.740 -0.010 0.000 0.252 202 N C -0.249 175.245 175.510 -0.027 0.000 1.014 202 N CA 0.933 53.971 53.050 -0.019 0.000 0.735 202 N CB -0.696 37.781 38.487 -0.018 0.000 0.924 202 N HN 0.876 9.246 8.380 -0.017 0.000 0.540 203 G N -8.021 100.758 108.800 -0.034 0.000 2.148 203 G HA2 -0.486 3.445 3.960 -0.050 0.000 0.254 203 G HA3 -0.486 3.456 3.960 -0.031 0.000 0.254 203 G C -1.563 173.286 174.900 -0.086 0.000 0.981 203 G CA 0.191 45.262 45.100 -0.049 0.000 0.670 203 G HN 0.210 8.474 8.290 -0.028 0.009 0.528 210 Q N 0.735 120.515 119.800 -0.034 0.000 2.391 210 Q HA 0.169 4.518 4.340 0.016 0.000 0.211 210 Q C -0.161 175.850 176.000 0.018 0.000 0.908 210 Q CA 0.257 56.055 55.803 -0.009 0.000 0.920 210 Q CB 2.262 30.980 28.738 -0.033 0.000 1.056 210 Q HN 0.292 8.525 8.270 -0.061 0.000 0.523 211 G N -2.723 106.081 108.800 0.007 0.000 2.612 211 G HA2 0.564 4.852 3.960 0.119 0.000 0.298 211 G HA3 0.564 4.520 3.960 -0.006 0.000 0.298 211 G C -3.266 171.709 174.900 0.124 0.000 1.336 211 G CA -0.619 44.521 45.100 0.067 0.000 0.953 211 G HN -0.428 7.850 8.290 -0.020 0.000 0.482 212 I N 0.161 120.858 120.570 0.210 0.000 2.465 212 I HA 0.604 5.096 4.170 0.183 -0.212 0.291 212 I C -0.179 176.123 176.117 0.309 0.000 1.014 212 I CA -1.699 59.725 61.300 0.206 0.000 1.093 212 I CB 3.943 42.005 38.000 0.103 0.000 1.267 212 I HN -0.330 8.102 8.210 0.242 -0.077 0.431 213 V N 7.614 127.716 119.914 0.313 0.000 2.475 213 V HA -0.222 3.917 4.120 0.032 0.000 0.292 213 V C -0.860 175.303 176.094 0.114 0.000 1.003 213 V CA 1.974 64.387 62.300 0.188 0.000 1.120 213 V CB -1.796 30.159 31.823 0.219 0.000 0.937 213 V HN 0.467 8.814 8.190 0.262 0.000 0.476 214 S N 8.143 123.811 115.700 -0.055 0.000 3.393 214 S HA 0.431 5.224 4.470 0.381 -0.094 0.209 214 S C -1.263 173.414 174.600 0.128 0.000 0.897 214 S CA 0.421 58.715 58.200 0.158 0.000 0.825 214 S CB 2.698 66.000 63.200 0.170 0.000 0.898 214 S HN -0.041 8.010 8.310 -0.432 0.000 0.615 215 W N -3.839 117.310 121.300 -0.251 0.000 2.923 215 W HA 0.279 4.804 4.660 -0.226 0.000 0.373 215 W C -3.000 173.374 176.519 -0.242 0.000 1.205 215 W CA -0.649 56.551 57.345 -0.241 0.000 1.180 215 W CB 1.083 30.408 29.460 -0.225 0.000 1.477 215 W HN 0.040 7.969 8.180 -0.418 0.000 0.581 216 G N -2.581 106.320 108.800 0.169 0.000 2.348 216 G HA2 0.164 3.897 3.960 -0.379 0.000 0.296 216 G HA3 0.164 4.123 3.960 -0.001 0.000 0.296 216 G C -2.575 172.566 174.900 0.402 0.000 1.258 216 G CA 0.217 45.343 45.100 0.043 0.000 0.868 216 G HN 0.035 8.584 8.290 0.433 0.000 0.488 220 c N 0.455 119.068 118.600 0.021 0.000 3.392 220 c HA 0.316 5.050 4.570 0.074 -0.120 0.217 220 c C -1.330 172.796 174.090 0.059 0.000 1.222 220 c CA -1.413 54.947 56.329 0.052 0.000 1.200 220 c CB -1.362 41.172 42.510 0.039 0.000 1.818 220 c HN 0.263 8.495 8.230 0.004 0.000 0.586 221 Q N -0.534 119.322 119.800 0.093 0.000 3.038 221 Q HA 0.019 4.405 4.340 0.076 0.000 0.204 221 Q C -1.699 174.351 176.000 0.085 0.000 1.015 221 Q CA -0.061 55.800 55.803 0.096 0.000 0.975 221 Q CB 2.804 31.631 28.738 0.149 0.000 2.240 221 Q HN 0.343 8.679 8.270 0.109 0.000 0.559 222 K N 4.050 124.488 120.400 0.062 0.000 2.524 222 K HA -0.328 4.315 4.320 0.052 -0.291 0.279 222 K C -0.012 176.599 176.600 0.018 0.000 0.993 222 K CA 1.006 57.319 56.287 0.043 0.000 1.030 222 K CB -0.151 32.367 32.500 0.031 0.000 0.891 222 K HN 0.303 8.588 8.250 0.059 0.000 0.488 223 N N 0.278 118.978 118.700 -0.001 0.000 2.708 223 N HA -0.479 4.234 4.740 -0.046 0.000 0.251 223 N C -1.992 173.433 175.510 -0.141 0.000 1.123 223 N CA 1.938 54.952 53.050 -0.060 0.000 0.739 223 N CB -0.896 37.545 38.487 -0.076 0.000 1.113 223 N HN 0.836 9.115 8.380 0.023 0.115 0.561 224 K N -3.262 117.103 120.400 -0.058 0.000 2.954 224 K HA 0.530 4.640 4.320 -0.349 0.000 0.171 224 K C -2.514 174.169 176.600 0.138 0.000 1.079 224 K CA -3.374 52.891 56.287 -0.037 0.000 0.908 224 K CB -0.218 32.359 32.500 0.128 0.000 1.142 224 K HN -0.728 7.484 8.250 0.017 0.048 0.613 225 P HA -0.055 4.451 4.420 0.143 0.000 0.272 225 P C 0.029 177.412 177.300 0.139 0.000 1.230 225 P CA -0.455 62.734 63.100 0.148 0.000 0.788 225 P CB 0.847 32.611 31.700 0.106 0.000 0.949 226 G N -0.941 107.917 108.800 0.096 0.000 2.414 226 G HA2 -0.000 3.821 3.960 -0.230 0.000 0.236 226 G HA3 -0.000 3.993 3.960 -0.058 -0.069 0.236 226 G C -1.441 173.266 174.900 -0.322 0.000 1.293 226 G CA 0.074 45.097 45.100 -0.129 0.000 0.869 226 G HN -0.153 8.307 8.290 0.170 -0.068 0.556 227 V N 3.591 122.996 119.914 -0.847 0.000 2.513 227 V HA 0.564 4.577 4.120 -0.443 -0.158 0.299 227 V C -0.971 174.570 176.094 -0.921 0.000 1.035 227 V CA -1.067 60.689 62.300 -0.906 0.000 0.889 227 V CB 1.808 32.569 31.823 -1.771 0.000 0.988 227 V HN 0.523 8.164 8.190 -0.914 0.000 0.440 228 Y N 5.250 125.426 120.300 -0.206 0.000 2.477 228 Y HA 0.576 5.257 4.550 -0.029 -0.149 0.347 228 Y C 0.170 176.072 175.900 0.004 0.000 0.981 228 Y CA -2.099 55.964 58.100 -0.062 0.000 1.033 228 Y CB 4.151 42.586 38.460 -0.041 0.000 1.245 228 Y HN 1.116 9.293 8.280 0.003 0.104 0.455 229 T N 5.674 120.330 114.554 0.169 0.000 2.888 229 T HA -0.091 4.478 4.350 0.149 -0.130 0.301 229 T C -0.493 174.307 174.700 0.166 0.000 1.001 229 T CA 1.869 64.047 62.100 0.131 0.000 1.147 229 T CB 0.280 69.157 68.868 0.016 0.000 0.931 229 T HN 0.440 8.780 8.240 0.166 0.000 0.541 230 K N 8.412 128.943 120.400 0.219 0.000 2.127 230 K HA 0.126 4.656 4.320 0.152 -0.118 0.261 230 K C 0.838 177.616 176.600 0.296 0.000 1.129 230 K CA -0.638 55.773 56.287 0.207 0.000 0.993 230 K CB -0.388 32.209 32.500 0.162 0.000 1.410 230 K HN 0.357 8.641 8.250 0.244 0.113 0.380 231 V N 5.969 126.021 119.914 0.229 0.000 2.568 231 V HA -0.458 3.896 4.120 0.390 0.000 0.253 231 V C 1.170 177.411 176.094 0.245 0.000 1.072 231 V CA 3.555 66.014 62.300 0.265 0.000 1.084 231 V CB -0.292 31.618 31.823 0.144 0.000 0.676 231 V HN 0.276 8.560 8.190 0.158 0.000 0.469 232 c N -4.974 113.710 118.600 0.140 0.000 2.466 232 c HA -0.072 4.543 4.570 0.076 0.000 0.283 232 c C 0.765 174.877 174.090 0.037 0.000 1.472 232 c CA 0.395 56.770 56.329 0.076 0.000 1.765 232 c CB -2.251 40.282 42.510 0.039 0.000 1.724 232 c HN 0.475 8.745 8.230 0.121 0.033 0.560 233 N N 0.528 119.230 118.700 0.003 0.000 2.353 233 N HA 0.022 4.664 4.740 -0.163 0.000 0.185 233 N C 0.008 175.282 175.510 -0.394 0.000 1.098 233 N CA 0.725 53.628 53.050 -0.246 0.000 0.872 233 N CB 0.178 38.403 38.487 -0.437 0.000 0.970 233 N HN -0.256 8.134 8.380 0.119 0.062 0.467 234 Y N -3.763 116.597 120.300 0.101 0.000 2.500 234 Y HA 0.102 4.786 4.550 0.224 0.000 0.246 234 Y C 0.507 176.534 175.900 0.212 0.000 1.146 234 Y CA -0.497 57.719 58.100 0.194 0.000 1.230 234 Y CB 0.868 39.459 38.460 0.219 0.000 1.214 234 Y HN -0.166 8.089 8.280 0.242 0.170 0.526 235 V N 0.921 120.960 119.914 0.209 0.000 2.407 235 V HA -0.503 3.702 4.120 0.142 0.000 0.248 235 V C 1.691 177.848 176.094 0.104 0.000 1.055 235 V CA 4.648 67.028 62.300 0.135 0.000 1.049 235 V CB -0.665 31.200 31.823 0.070 0.000 0.662 235 V HN -0.114 8.159 8.190 0.138 0.000 0.455 236 N N -0.393 118.373 118.700 0.110 0.000 2.120 236 N HA -0.270 4.489 4.740 0.031 0.000 0.188 236 N C 1.747 177.330 175.510 0.122 0.000 1.024 236 N CA 3.191 56.290 53.050 0.083 0.000 0.852 236 N CB -0.632 37.900 38.487 0.076 0.000 1.003 236 N HN 0.066 8.510 8.380 0.107 0.000 0.424 237 W N 1.236 122.572 121.300 0.060 0.000 2.358 237 W HA -0.185 4.492 4.660 0.027 0.000 0.303 237 W C 1.749 178.276 176.519 0.012 0.000 1.208 237 W CA 3.426 60.816 57.345 0.075 0.000 1.274 237 W CB -0.027 29.571 29.460 0.230 0.000 1.138 237 W HN -0.260 8.166 8.180 0.410 0.000 0.515 238 I N -0.985 119.586 120.570 0.000 0.000 2.142 238 I HA -0.710 3.079 4.170 -0.635 0.000 0.240 238 I C 1.890 177.764 176.117 -0.405 0.000 1.078 238 I CA 4.082 65.210 61.300 -0.287 0.000 1.343 238 I CB -0.335 37.648 38.000 -0.028 0.000 1.046 238 I HN 0.323 8.714 8.210 0.301 0.000 0.405 239 Q N -0.806 118.859 119.800 -0.226 0.000 2.124 239 Q HA -0.371 3.808 4.340 -0.268 0.000 0.202 239 Q C 2.466 178.302 176.000 -0.273 0.000 0.977 239 Q CA 2.925 58.591 55.803 -0.228 0.000 0.850 239 Q CB -0.609 28.058 28.738 -0.118 0.000 0.901 239 Q HN 0.068 8.274 8.270 -0.107 0.000 0.429 240 Q N -1.081 118.568 119.800 -0.252 0.000 2.119 240 Q HA -0.313 3.925 4.340 -0.169 0.000 0.201 240 Q C 2.689 178.485 176.000 -0.341 0.000 0.972 240 Q CA 3.312 58.976 55.803 -0.231 0.000 0.847 240 Q CB 0.003 28.646 28.738 -0.159 0.000 0.903 240 Q HN 0.294 8.442 8.270 -0.203 0.000 0.433 241 T N 2.821 117.031 114.554 -0.574 0.000 2.777 241 T HA -0.333 3.746 4.350 -0.452 0.000 0.266 241 T C 1.791 176.089 174.700 -0.670 0.000 1.040 241 T CA 4.908 66.613 62.100 -0.657 0.000 1.141 241 T CB -0.372 67.857 68.868 -1.065 0.000 0.868 241 T HN -0.161 7.668 8.240 -0.686 0.000 0.444 242 I N 0.245 120.287 120.570 -0.880 0.000 2.163 242 I HA -0.506 2.689 4.170 -1.624 0.000 0.243 242 I C 2.159 178.064 176.117 -0.353 0.000 1.085 242 I CA 3.956 64.669 61.300 -0.979 0.000 1.347 242 I CB -0.331 37.105 38.000 -0.940 0.000 1.044 242 I HN -0.156 7.564 8.210 -0.818 0.000 0.408 243 A N -0.783 121.880 122.820 -0.262 0.000 2.015 243 A HA -0.189 4.086 4.320 -0.075 0.000 0.219 243 A C 1.019 178.564 177.584 -0.065 0.000 1.163 243 A CA 2.567 54.533 52.037 -0.119 0.000 0.646 243 A CB -0.500 18.434 19.000 -0.109 0.000 0.806 243 A HN -0.026 7.935 8.150 -0.316 0.000 0.448 244 A N -4.341 118.425 122.820 -0.090 0.000 2.178 244 A HA 0.045 4.352 4.320 -0.021 0.000 0.211 244 A C -0.191 177.410 177.584 0.029 0.000 1.157 244 A CA 0.703 52.719 52.037 -0.036 0.000 0.780 244 A CB 0.554 19.517 19.000 -0.061 0.000 0.828 244 A HN -0.347 7.590 8.150 -0.167 0.112 0.476 245 N N 0.000 118.757 118.700 0.094 0.000 1.763 245 N HA 0.000 4.826 4.740 0.144 0.000 0.220 245 N CA 0.000 53.183 53.050 0.221 0.000 0.885 245 N CB 0.000 38.699 38.487 0.353 0.000 1.341 245 N HN 0.000 8.258 8.380 0.055 0.155 0.667