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 1s85_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 4.168 4.170 -0.003 0.000 0.288 16 I C 0.000 176.088 176.117 -0.049 0.000 1.063 16 I CA 0.000 61.274 61.300 -0.044 0.000 1.566 16 I CB 0.000 37.941 38.000 -0.099 0.000 1.214 17 V N 6.429 126.331 119.914 -0.019 0.000 2.509 17 V HA 0.156 4.444 4.120 -0.040 -0.192 0.284 17 V C 0.790 176.876 176.094 -0.013 0.000 1.047 17 V CA -0.875 61.413 62.300 -0.021 0.000 0.952 17 V CB 0.995 32.814 31.823 -0.006 0.000 0.988 17 V HN 0.970 9.165 8.190 0.008 0.000 0.469 18 G N 6.566 115.352 108.800 -0.023 0.000 2.160 18 G HA2 -0.401 3.543 3.960 -0.026 0.000 0.251 18 G HA3 -0.401 3.738 3.960 -0.041 -0.204 0.251 18 G C -0.815 174.081 174.900 -0.006 0.000 1.008 18 G CA 0.313 45.398 45.100 -0.026 0.000 0.724 18 G HN 0.768 9.041 8.290 -0.028 0.000 0.514 19 G N -0.920 107.874 108.800 -0.011 0.000 2.641 19 G HA2 0.495 4.488 3.960 0.056 0.000 0.239 19 G HA3 0.495 4.467 3.960 -0.132 -0.091 0.239 19 G C -1.866 173.081 174.900 0.079 0.000 1.402 19 G CA -1.444 43.646 45.100 -0.016 0.000 1.046 19 G HN -0.480 7.767 8.290 -0.032 0.024 0.565 20 Y N -6.639 113.643 120.300 -0.030 0.000 2.588 20 Y HA 0.334 4.870 4.550 -0.023 0.000 0.343 20 Y C -1.880 174.008 175.900 -0.021 0.000 1.065 20 Y CA -2.439 55.647 58.100 -0.023 0.000 1.038 20 Y CB 1.409 39.858 38.460 -0.019 0.000 1.297 20 Y HN 0.099 8.027 8.280 -0.586 0.000 0.467 21 T N 3.951 118.554 114.554 0.081 0.000 2.817 21 T HA -0.044 4.386 4.350 -0.069 -0.121 0.295 21 T C 0.186 174.964 174.700 0.130 0.000 0.958 21 T CA 1.079 63.206 62.100 0.045 0.000 1.157 21 T CB -0.433 68.494 68.868 0.099 0.000 0.898 21 T HN 0.032 8.368 8.240 0.161 0.000 0.536 22 c N 8.042 126.645 118.600 0.005 0.000 2.665 22 c HA -0.253 4.380 4.570 0.105 0.000 0.416 22 c C -0.050 174.079 174.090 0.065 0.000 1.305 22 c CA 0.259 56.609 56.329 0.036 0.000 1.903 22 c CB -0.216 42.248 42.510 -0.076 0.000 2.704 22 c HN 0.309 8.490 8.230 -0.081 0.000 0.629 23 A N 3.786 126.618 122.820 0.021 0.000 2.531 23 A HA -0.147 4.131 4.320 -0.070 0.000 0.236 23 A C -0.102 177.279 177.584 -0.337 0.000 1.062 23 A CA 0.407 52.385 52.037 -0.098 0.000 0.760 23 A CB 0.653 19.624 19.000 -0.049 0.000 0.995 23 A HN 0.364 8.562 8.150 0.081 0.000 0.501 24 A N 3.252 125.743 122.820 -0.549 0.000 2.545 24 A HA -0.272 3.021 4.320 -1.712 0.000 0.253 24 A C -0.498 176.885 177.584 -0.335 0.000 1.074 24 A CA 0.777 52.331 52.037 -0.806 0.000 0.760 24 A CB -0.270 18.458 19.000 -0.453 0.000 1.005 24 A HN 0.467 8.399 8.150 -0.363 0.000 0.506 25 N N -1.202 117.351 118.700 -0.244 0.000 2.828 25 N HA -0.442 4.255 4.740 -0.070 0.000 0.248 25 N C 0.901 176.341 175.510 -0.116 0.000 1.044 25 N CA 1.685 54.669 53.050 -0.110 0.000 0.851 25 N CB -1.336 37.118 38.487 -0.055 0.000 1.136 25 N HN 0.634 8.846 8.380 -0.280 0.000 0.572 26 S N -1.472 114.146 115.700 -0.136 0.000 2.547 26 S HA -0.174 4.253 4.470 -0.072 0.000 0.235 26 S C -0.018 174.497 174.600 -0.143 0.000 0.980 26 S CA 2.112 60.252 58.200 -0.100 0.000 0.941 26 S CB 0.499 63.660 63.200 -0.065 0.000 0.763 26 S HN -0.197 7.955 8.310 -0.176 0.052 0.532 27 I N 0.604 121.029 120.570 -0.243 0.000 2.886 27 I HA 0.416 4.219 4.170 -0.612 0.000 0.311 27 I C -1.233 174.540 176.117 -0.573 0.000 1.287 27 I CA -4.071 56.921 61.300 -0.513 0.000 0.995 27 I CB -0.970 36.752 38.000 -0.463 0.000 1.962 27 I HN -0.072 7.951 8.210 -0.204 0.064 0.586 28 P HA 0.077 4.532 4.420 -0.100 -0.095 0.230 28 P C 0.625 177.874 177.300 -0.085 0.000 1.158 28 P CA 1.635 64.644 63.100 -0.151 0.000 0.769 28 P CB -0.229 31.449 31.700 -0.037 0.000 0.807 29 Y N -5.071 115.259 120.300 0.050 0.000 2.523 29 Y HA 0.371 5.087 4.550 0.064 -0.127 0.279 29 Y C -0.225 175.717 175.900 0.071 0.000 1.139 29 Y CA -2.820 55.314 58.100 0.058 0.000 1.296 29 Y CB -1.324 37.163 38.460 0.045 0.000 1.045 29 Y HN -0.403 7.309 8.280 -0.858 0.053 0.538 30 Q N 2.842 122.565 119.800 -0.130 0.000 2.289 30 Q HA 0.127 4.707 4.340 0.166 -0.140 0.273 30 Q C 0.012 176.120 176.000 0.179 0.000 1.029 30 Q CA 0.294 56.121 55.803 0.039 0.000 0.896 30 Q CB 0.732 29.383 28.738 -0.144 0.000 1.182 30 Q HN -0.563 7.254 8.270 -0.493 0.157 0.385 31 V N 1.325 121.382 119.914 0.239 0.000 2.919 31 V HA 0.733 5.113 4.120 0.248 -0.112 0.316 31 V C -1.629 174.667 176.094 0.337 0.000 1.077 31 V CA -2.625 59.817 62.300 0.237 0.000 0.977 31 V CB 3.641 35.540 31.823 0.126 0.000 1.039 31 V HN 0.485 8.810 8.190 0.224 0.000 0.441 32 S N 1.267 117.065 115.700 0.163 0.000 2.508 32 S HA 0.389 5.212 4.470 0.215 -0.224 0.284 32 S C -0.858 173.625 174.600 -0.196 0.000 1.192 32 S CA -2.125 56.071 58.200 -0.007 0.000 1.070 32 S CB 1.258 64.244 63.200 -0.357 0.000 1.004 32 S HN 0.107 8.451 8.310 0.057 0.000 0.493 33 L N 6.313 127.290 121.223 -0.409 0.000 2.264 33 L HA 0.425 4.696 4.340 -0.320 -0.124 0.289 33 L C -1.499 174.956 176.870 -0.691 0.000 1.044 33 L CA -0.772 53.729 54.840 -0.565 0.000 0.807 33 L CB 0.504 42.066 42.059 -0.829 0.000 1.192 33 L HN 0.624 8.549 8.230 -0.510 0.000 0.425 38 G N 1.173 109.947 108.800 -0.042 0.000 2.345 38 G HA2 -0.257 3.673 3.960 -0.051 0.000 0.218 38 G HA3 -0.257 3.675 3.960 -0.047 0.000 0.218 38 G C -1.835 173.037 174.900 -0.046 0.000 1.058 38 G CA 0.124 45.195 45.100 -0.048 0.000 0.632 38 G HN -0.002 8.468 8.290 -0.050 -0.210 0.508 39 S N -1.628 114.057 115.700 -0.025 0.000 2.618 39 S HA 0.155 4.590 4.470 -0.059 0.000 0.277 39 S C -1.559 173.041 174.600 0.001 0.000 1.138 39 S CA -1.782 56.402 58.200 -0.027 0.000 0.844 39 S CB 2.325 65.511 63.200 -0.023 0.000 1.127 39 S HN -0.721 7.502 8.310 0.004 0.090 0.474 40 H N 3.090 122.082 119.070 -0.130 0.000 3.167 40 H HA -0.314 4.260 4.556 -0.279 -0.185 0.306 40 H C -0.229 175.067 175.328 -0.054 0.000 0.965 40 H CA 1.340 57.277 56.048 -0.185 0.000 1.408 40 H CB -0.040 29.575 29.762 -0.245 0.000 1.406 40 H HN 0.560 8.842 8.280 0.002 0.000 0.576 41 F N 1.670 121.208 119.950 -0.686 0.000 2.856 41 F HA 0.290 4.675 4.527 -0.237 0.000 0.338 41 F C -1.615 173.957 175.800 -0.381 0.000 1.005 41 F CA -0.617 57.143 58.000 -0.399 0.000 1.155 41 F CB 1.628 40.491 39.000 -0.228 0.000 1.010 41 F HN 0.145 7.590 8.300 -1.425 0.000 0.587 42 c N -1.471 116.350 118.600 -1.299 0.000 3.318 42 c HA 0.509 5.000 4.570 -0.218 -0.052 0.322 42 c C -1.504 172.340 174.090 -0.409 0.000 1.398 42 c CA -0.412 55.548 56.329 -0.615 0.000 1.339 42 c CB 4.143 46.362 42.510 -0.485 0.000 1.668 42 c HN -0.779 6.314 8.230 -1.895 0.000 0.462 43 G N -1.121 107.658 108.800 -0.035 0.000 2.705 43 G HA2 0.795 5.037 3.960 0.201 0.000 0.299 43 G HA3 0.795 4.874 3.960 0.198 0.000 0.299 43 G C -2.495 172.424 174.900 0.032 0.000 1.315 43 G CA -1.699 43.471 45.100 0.116 0.000 1.045 43 G HN 0.662 8.834 8.290 -0.015 0.109 0.517 44 G N -4.532 104.327 108.800 0.098 0.000 2.523 44 G HA2 0.341 4.635 3.960 0.079 0.000 0.291 44 G HA3 0.341 4.339 3.960 0.064 0.000 0.291 44 G C -2.805 172.184 174.900 0.150 0.000 1.450 44 G CA 0.391 45.546 45.100 0.091 0.000 0.790 44 G HN -0.565 7.820 8.290 0.159 0.000 0.496 45 S N -0.891 114.900 115.700 0.151 0.000 2.557 45 S HA 0.760 5.605 4.470 0.283 -0.206 0.291 45 S C -1.502 173.200 174.600 0.170 0.000 1.116 45 S CA -1.269 57.051 58.200 0.199 0.000 0.992 45 S CB 3.779 67.067 63.200 0.146 0.000 1.028 45 S HN 0.570 8.954 8.310 0.123 0.000 0.484 46 L N 6.311 127.653 121.223 0.199 0.000 2.369 46 L HA 0.114 4.675 4.340 0.156 -0.127 0.279 46 L C -0.519 176.436 176.870 0.143 0.000 1.108 46 L CA 0.155 55.096 54.840 0.168 0.000 0.852 46 L CB 0.630 42.788 42.059 0.165 0.000 1.169 46 L HN 0.517 8.795 8.230 0.264 0.111 0.452 47 I N 0.218 120.867 120.570 0.132 0.000 4.181 47 I HA 0.506 4.856 4.170 0.060 -0.144 0.331 47 I C -1.113 175.065 176.117 0.102 0.000 1.312 47 I CA -0.780 60.573 61.300 0.090 0.000 1.146 47 I CB 1.626 39.662 38.000 0.060 0.000 1.074 47 I HN 0.542 8.851 8.210 0.164 0.000 0.402 48 N N -0.368 118.428 118.700 0.159 0.000 2.708 48 N HA 0.114 4.924 4.740 0.116 0.000 0.257 48 N C 0.069 175.672 175.510 0.155 0.000 1.373 48 N CA -0.265 52.884 53.050 0.165 0.000 0.843 48 N CB 2.984 41.617 38.487 0.244 0.000 1.503 48 N HN -0.692 7.801 8.380 0.189 0.000 0.504 49 S N 1.713 117.482 115.700 0.116 0.000 2.440 49 S HA -0.334 4.179 4.470 0.072 0.000 0.240 49 S C 0.614 175.243 174.600 0.048 0.000 1.014 49 S CA 3.170 61.416 58.200 0.076 0.000 0.980 49 S CB -0.230 63.004 63.200 0.056 0.000 0.775 49 S HN 0.583 8.958 8.310 0.108 0.000 0.499 50 Q N -1.976 117.862 119.800 0.062 0.000 2.281 50 Q HA 0.241 4.493 4.340 -0.148 0.000 0.215 50 Q C -1.352 174.475 176.000 -0.288 0.000 0.867 50 Q CA 0.102 55.827 55.803 -0.130 0.000 0.940 50 Q CB 1.892 30.521 28.738 -0.182 0.000 1.111 50 Q HN -0.325 8.323 8.270 0.166 -0.279 0.513 51 W N -1.565 119.740 121.300 0.009 0.000 2.839 51 W HA 0.559 5.430 4.660 0.004 -0.208 0.334 51 W C -1.678 174.852 176.519 0.019 0.000 1.064 51 W CA -1.016 56.331 57.345 0.004 0.000 1.236 51 W CB 3.415 32.864 29.460 -0.018 0.000 1.405 51 W HN -0.203 8.018 8.180 0.292 0.134 0.478 52 V N 2.616 122.692 119.914 0.271 0.000 2.513 52 V HA 0.758 5.175 4.120 0.176 -0.191 0.299 52 V C -1.815 174.401 176.094 0.204 0.000 1.035 52 V CA -1.655 60.758 62.300 0.189 0.000 0.889 52 V CB 3.057 34.950 31.823 0.117 0.000 0.988 52 V HN 0.909 9.259 8.190 0.268 0.000 0.440 53 V N 7.553 127.560 119.914 0.155 0.000 2.547 53 V HA 0.822 5.219 4.120 0.162 -0.180 0.299 53 V C -1.962 174.192 176.094 0.100 0.000 1.040 53 V CA -2.246 60.134 62.300 0.134 0.000 0.913 53 V CB 3.188 35.079 31.823 0.113 0.000 0.992 53 V HN 0.735 9.009 8.190 0.139 0.000 0.449 54 S N 6.695 122.443 115.700 0.080 0.000 2.843 54 S HA 0.551 5.278 4.470 0.035 -0.236 0.301 54 S C -2.104 172.487 174.600 -0.014 0.000 1.206 54 S CA -2.503 55.715 58.200 0.030 0.000 0.875 54 S CB 2.584 65.792 63.200 0.012 0.000 1.248 54 S HN 0.624 8.995 8.310 0.101 0.000 0.555 55 A N -0.238 122.532 122.820 -0.084 0.000 2.309 55 A HA 0.436 4.875 4.320 -0.121 -0.191 0.298 55 A C 0.450 177.881 177.584 -0.255 0.000 1.165 55 A CA -1.685 50.258 52.037 -0.158 0.000 0.821 55 A CB 1.263 20.140 19.000 -0.205 0.000 1.102 55 A HN 0.351 8.441 8.150 -0.100 0.000 0.500 56 A N 5.289 127.849 122.820 -0.434 0.000 1.972 56 A HA -0.251 3.865 4.320 -0.341 0.000 0.219 56 A C 1.582 178.807 177.584 -0.599 0.000 1.169 56 A CA 3.045 54.657 52.037 -0.708 0.000 0.635 56 A CB -0.521 17.551 19.000 -1.547 0.000 0.810 56 A HN 0.683 8.609 8.150 -0.435 -0.037 0.446 57 H N -4.171 114.618 119.070 -0.468 0.000 2.543 57 H HA -0.144 4.477 4.556 0.108 0.000 0.286 57 H C 0.495 175.870 175.328 0.077 0.000 1.037 57 H CA 2.408 58.450 56.048 -0.009 0.000 1.250 57 H CB -0.686 29.172 29.762 0.159 0.000 1.373 57 H HN -0.133 8.283 8.280 -0.318 -0.326 0.580 58 c N -1.558 116.891 118.600 -0.251 0.000 2.576 58 c HA -0.080 4.529 4.570 0.065 0.000 0.267 58 c C -0.391 173.764 174.090 0.108 0.000 1.364 58 c CA 0.038 56.355 56.329 -0.020 0.000 1.723 58 c CB -2.020 40.453 42.510 -0.061 0.000 1.778 58 c HN -0.528 7.318 8.230 -0.360 0.169 0.572 59 Y N 2.265 122.553 120.300 -0.021 0.000 2.810 59 Y HA -0.290 4.271 4.550 0.019 0.000 0.332 59 Y C -0.857 175.016 175.900 -0.045 0.000 1.243 59 Y CA 1.896 59.992 58.100 -0.007 0.000 1.537 59 Y CB 0.434 38.888 38.460 -0.010 0.000 1.265 59 Y HN -0.503 7.689 8.280 0.139 0.172 0.572 60 K N 6.822 126.639 120.400 -0.971 0.000 2.508 60 K HA 0.194 4.100 4.320 -0.691 0.000 0.260 60 K C -1.319 174.679 176.600 -1.003 0.000 0.949 60 K CA -0.891 54.872 56.287 -0.873 0.000 0.834 60 K CB 2.378 34.522 32.500 -0.593 0.000 1.365 60 K HN -0.051 7.608 8.250 -0.986 0.000 0.437 61 S N -0.797 114.566 115.700 -0.562 0.000 2.423 61 S HA -0.238 4.114 4.470 -0.196 0.000 0.231 61 S C -0.404 174.095 174.600 -0.168 0.000 1.014 61 S CA 1.473 59.527 58.200 -0.244 0.000 0.965 61 S CB 0.326 63.500 63.200 -0.043 0.000 0.785 61 S HN 0.324 8.403 8.310 -0.384 0.000 0.495 62 R N -0.036 120.353 120.500 -0.185 0.000 2.480 62 R HA 0.230 4.516 4.340 -0.091 0.000 0.306 62 R C -2.232 173.995 176.300 -0.121 0.000 0.958 62 R CA -0.637 55.390 56.100 -0.121 0.000 0.861 62 R CB 2.100 32.344 30.300 -0.093 0.000 1.171 62 R HN -0.419 7.685 8.270 -0.237 0.024 0.445 63 I N 1.773 122.301 120.570 -0.071 0.000 2.569 63 I HA 0.176 4.368 4.170 0.037 0.000 0.290 63 I C -2.110 173.986 176.117 -0.036 0.000 1.088 63 I CA -0.987 60.307 61.300 -0.009 0.000 1.047 63 I CB 3.697 41.716 38.000 0.031 0.000 1.237 63 I HN 0.424 8.594 8.210 -0.068 0.000 0.421 64 Q N 6.706 126.474 119.800 -0.053 0.000 2.278 64 Q HA 0.289 4.660 4.340 -0.071 -0.074 0.257 64 Q C -1.599 174.319 176.000 -0.136 0.000 0.928 64 Q CA -1.213 54.532 55.803 -0.098 0.000 0.932 64 Q CB 2.292 30.946 28.738 -0.140 0.000 1.221 64 Q HN 0.419 8.671 8.270 -0.031 0.000 0.434 65 V N 8.102 127.953 119.914 -0.104 0.000 2.432 65 V HA 0.277 4.468 4.120 -0.126 -0.147 0.275 65 V C -0.838 175.193 176.094 -0.104 0.000 1.043 65 V CA -0.597 61.646 62.300 -0.095 0.000 0.925 65 V CB 0.205 32.006 31.823 -0.037 0.000 0.985 65 V HN 0.309 8.458 8.190 -0.069 0.000 0.466 66 R N 6.772 127.180 120.500 -0.153 0.000 2.288 66 R HA 0.587 5.124 4.340 0.053 -0.166 0.326 66 R C -1.069 175.258 176.300 0.045 0.000 0.959 66 R CA -1.202 54.830 56.100 -0.113 0.000 0.834 66 R CB 1.385 31.421 30.300 -0.440 0.000 1.157 66 R HN 0.715 8.886 8.270 -0.165 0.000 0.470 70 E N -1.113 119.223 120.200 0.226 0.000 2.366 70 E HA -0.023 4.451 4.350 0.207 0.000 0.266 70 E C -1.350 175.508 176.600 0.430 0.000 1.051 70 E CA 0.252 56.813 56.400 0.270 0.000 0.884 70 E CB 0.860 30.645 29.700 0.142 0.000 1.006 70 E HN -0.484 7.971 8.360 0.236 0.047 0.417 71 H N 3.297 122.523 119.070 0.259 0.000 2.074 71 H HA 0.092 4.862 4.556 0.357 0.000 0.198 71 H C -0.821 174.708 175.328 0.336 0.000 0.938 71 H CA 1.300 57.519 56.048 0.285 0.000 1.125 71 H CB 3.131 32.975 29.762 0.138 0.000 1.195 71 H HN -0.220 8.409 8.280 0.311 -0.163 0.430 72 N N 1.193 119.948 118.700 0.091 0.000 2.415 72 N HA 0.036 4.964 4.740 -0.032 -0.207 0.250 72 N C 1.863 177.362 175.510 -0.019 0.000 1.127 72 N CA -0.513 52.539 53.050 0.003 0.000 0.945 72 N CB -0.067 38.423 38.487 0.006 0.000 1.196 72 N HN -0.700 8.358 8.380 0.198 -0.559 0.499 73 I N 0.537 121.002 120.570 -0.175 0.000 3.334 73 I HA -0.123 4.224 4.170 -0.239 -0.320 0.282 73 I C -0.500 175.520 176.117 -0.161 0.000 1.313 73 I CA 1.462 62.571 61.300 -0.319 0.000 1.396 73 I CB -0.542 36.994 38.000 -0.774 0.000 1.054 73 I HN -0.089 8.012 8.210 -0.181 0.000 0.495 74 D N -2.263 118.085 120.400 -0.087 0.000 2.369 74 D HA 0.156 4.770 4.640 -0.043 0.000 0.211 74 D C -0.767 175.530 176.300 -0.006 0.000 1.077 74 D CA 0.334 54.309 54.000 -0.041 0.000 0.842 74 D CB 1.983 42.764 40.800 -0.033 0.000 0.947 74 D HN -0.425 8.068 8.370 -0.075 -0.167 0.509 75 V N -0.445 119.473 119.914 0.006 0.000 2.733 75 V HA 0.057 4.187 4.120 0.017 0.000 0.306 75 V C -1.603 174.509 176.094 0.030 0.000 1.084 75 V CA -1.282 61.029 62.300 0.019 0.000 0.905 75 V CB 3.641 35.475 31.823 0.018 0.000 1.010 75 V HN -0.775 7.360 8.190 -0.001 0.054 0.424 76 L N 6.135 127.369 121.223 0.018 0.000 2.418 76 L HA -0.187 4.341 4.340 -0.006 -0.191 0.274 76 L C 0.230 177.097 176.870 -0.005 0.000 1.135 76 L CA 0.897 55.731 54.840 -0.011 0.000 0.870 76 L CB -0.302 41.725 42.059 -0.054 0.000 1.154 76 L HN 0.334 8.571 8.230 0.012 0.000 0.462 77 E N 4.658 124.860 120.200 0.004 0.000 2.490 77 E HA 0.100 4.462 4.350 0.019 0.000 0.209 77 E C 0.734 177.335 176.600 0.000 0.000 0.971 77 E CA -0.203 56.208 56.400 0.019 0.000 0.988 77 E CB 0.800 30.534 29.700 0.056 0.000 1.029 77 E HN 0.244 9.128 8.360 0.005 -0.521 0.496 78 G N -0.957 107.828 108.800 -0.026 0.000 2.176 78 G HA2 -0.388 3.531 3.960 -0.068 0.000 0.232 78 G HA3 -0.388 3.555 3.960 -0.029 0.000 0.232 78 G C 0.139 175.020 174.900 -0.031 0.000 0.986 78 G CA 0.760 45.836 45.100 -0.040 0.000 0.643 78 G HN 0.156 8.663 8.290 -0.042 -0.243 0.522 79 N N -0.395 118.301 118.700 -0.007 0.000 2.336 79 N HA -0.018 4.721 4.740 -0.002 0.000 0.189 79 N C -0.668 174.847 175.510 0.008 0.000 1.113 79 N CA 0.062 53.116 53.050 0.006 0.000 0.858 79 N CB 0.465 38.969 38.487 0.029 0.000 0.970 79 N HN 0.381 8.712 8.380 0.007 0.053 0.471 80 E N -0.122 120.062 120.200 -0.026 0.000 2.338 80 E HA 0.164 4.780 4.350 0.088 -0.214 0.272 80 E C -0.253 176.309 176.600 -0.063 0.000 1.029 80 E CA 0.251 56.643 56.400 -0.013 0.000 0.872 80 E CB 0.193 29.836 29.700 -0.095 0.000 1.015 80 E HN -0.333 7.938 8.360 -0.055 0.056 0.417 81 Q N 4.217 124.062 119.800 0.074 0.000 2.325 81 Q HA 0.330 4.665 4.340 -0.008 0.000 0.270 81 Q C -1.424 174.765 176.000 0.315 0.000 1.020 81 Q CA -1.401 54.456 55.803 0.089 0.000 0.785 81 Q CB 2.894 31.673 28.738 0.069 0.000 1.259 81 Q HN 0.062 8.428 8.270 0.160 0.000 0.452 82 F N 4.139 124.077 119.950 -0.020 0.000 2.361 82 F HA 0.703 5.401 4.527 -0.031 -0.190 0.364 82 F C 0.164 175.947 175.800 -0.028 0.000 1.117 82 F CA -3.345 54.638 58.000 -0.028 0.000 1.071 82 F CB 0.701 39.682 39.000 -0.032 0.000 1.188 82 F HN 0.384 8.768 8.300 0.140 0.000 0.464 83 I N 4.791 125.437 120.570 0.127 0.000 2.497 83 I HA 0.133 4.332 4.170 0.049 0.000 0.284 83 I C -1.430 174.688 176.117 0.002 0.000 1.060 83 I CA -1.078 60.250 61.300 0.048 0.000 1.071 83 I CB 2.349 40.365 38.000 0.027 0.000 1.216 83 I HN 0.939 9.208 8.210 0.097 0.000 0.442 84 N N 6.940 125.635 118.700 -0.008 0.000 2.416 84 N HA -0.110 4.718 4.740 -0.039 -0.112 0.246 84 N C -0.220 175.259 175.510 -0.051 0.000 1.260 84 N CA 0.285 53.315 53.050 -0.032 0.000 0.897 84 N CB 0.695 39.165 38.487 -0.027 0.000 1.110 84 N HN 0.561 8.945 8.380 0.006 0.000 0.439 85 A N 0.841 123.627 122.820 -0.057 0.000 2.451 85 A HA 0.067 4.459 4.320 -0.097 -0.130 0.266 85 A C -0.544 176.995 177.584 -0.074 0.000 1.119 85 A CA 0.410 52.404 52.037 -0.072 0.000 0.786 85 A CB 0.069 19.039 19.000 -0.050 0.000 1.061 85 A HN 0.041 8.161 8.150 -0.050 0.000 0.503 86 A N 5.003 127.757 122.820 -0.110 0.000 1.930 86 A HA -0.024 4.256 4.320 -0.066 0.000 0.215 86 A C -0.045 177.494 177.584 -0.075 0.000 1.176 86 A CA 1.759 53.737 52.037 -0.097 0.000 0.632 86 A CB 0.822 19.743 19.000 -0.131 0.000 0.819 86 A HN 0.668 8.724 8.150 -0.156 0.000 0.445 87 K N -2.871 117.471 120.400 -0.097 0.000 2.501 87 K HA 0.280 4.615 4.320 0.024 0.000 0.252 87 K C -2.291 174.335 176.600 0.044 0.000 0.934 87 K CA -0.906 55.368 56.287 -0.021 0.000 0.797 87 K CB 3.257 35.736 32.500 -0.036 0.000 1.270 87 K HN -0.652 7.502 8.250 -0.160 0.000 0.431 88 I N 2.393 123.051 120.570 0.146 0.000 2.497 88 I HA 0.547 5.026 4.170 0.222 -0.176 0.284 88 I C -0.916 175.378 176.117 0.295 0.000 1.060 88 I CA -0.772 60.670 61.300 0.237 0.000 1.071 88 I CB 1.977 40.123 38.000 0.242 0.000 1.216 88 I HN 0.249 8.549 8.210 0.151 0.000 0.442 89 I N 9.546 130.297 120.570 0.302 0.000 2.437 89 I HA 0.324 4.623 4.170 0.215 0.000 0.279 89 I C -0.599 175.712 176.117 0.324 0.000 1.028 89 I CA -1.315 60.156 61.300 0.286 0.000 1.142 89 I CB 1.561 39.742 38.000 0.303 0.000 1.266 89 I HN 0.952 9.358 8.210 0.327 0.000 0.461 90 T N 6.037 120.704 114.554 0.187 0.000 2.856 90 T HA -0.154 4.267 4.350 0.120 0.000 0.306 90 T C -0.205 174.576 174.700 0.135 0.000 1.062 90 T CA -0.483 61.686 62.100 0.115 0.000 1.083 90 T CB 0.903 69.757 68.868 -0.023 0.000 0.984 90 T HN 0.349 8.644 8.240 0.092 0.000 0.542 91 H N 4.262 123.222 119.070 -0.184 0.000 3.034 91 H HA -0.092 3.857 4.556 -1.011 0.000 0.324 91 H C 0.694 175.911 175.328 -0.184 0.000 1.015 91 H CA 0.609 56.326 56.048 -0.550 0.000 1.429 91 H CB 1.274 30.619 29.762 -0.694 0.000 1.429 91 H HN -0.195 8.060 8.280 -0.040 0.000 0.585 92 P HA -0.123 4.236 4.420 -0.102 0.000 0.219 92 P C -0.474 176.744 177.300 -0.138 0.000 1.146 92 P CA 1.867 64.813 63.100 -0.257 0.000 0.808 92 P CB 0.161 31.732 31.700 -0.216 0.000 0.779 93 N N -2.757 115.903 118.700 -0.067 0.000 2.238 93 N HA 0.037 4.805 4.740 0.048 0.000 0.222 93 N C -1.551 174.106 175.510 0.246 0.000 1.133 93 N CA -0.504 52.639 53.050 0.156 0.000 0.854 93 N CB 0.400 39.001 38.487 0.189 0.000 1.041 93 N HN -0.570 7.544 8.380 -0.397 0.027 0.510 94 F N 3.529 123.541 119.950 0.104 0.000 2.602 94 F HA -0.237 4.577 4.527 -0.002 -0.288 0.385 94 F C -0.442 175.357 175.800 -0.001 0.000 1.063 94 F CA 0.942 58.955 58.000 0.021 0.000 1.233 94 F CB 0.196 39.195 39.000 -0.000 0.000 1.067 94 F HN -0.534 7.798 8.300 0.320 0.160 0.564 95 N N 8.226 126.516 118.700 -0.683 0.000 2.457 95 N HA 0.125 4.518 4.740 -0.578 0.000 0.250 95 N C 0.635 175.436 175.510 -1.181 0.000 0.982 95 N CA -1.599 51.022 53.050 -0.715 0.000 0.941 95 N CB 0.995 39.285 38.487 -0.328 0.000 1.120 95 N HN 0.005 8.169 8.380 -0.361 0.000 0.505 96 G N 5.580 113.706 108.800 -1.123 0.000 2.501 96 G HA2 -0.324 3.186 3.960 -0.750 0.000 0.220 96 G HA3 -0.324 3.410 3.960 -0.377 0.000 0.220 96 G C 0.259 174.971 174.900 -0.314 0.000 1.114 96 G CA 1.739 46.438 45.100 -0.669 0.000 0.757 96 G HN 0.615 8.402 8.290 -0.838 0.000 0.559 97 N N 1.209 119.723 118.700 -0.310 0.000 2.319 97 N HA -0.009 4.622 4.740 -0.183 0.000 0.189 97 N C 1.303 176.662 175.510 -0.252 0.000 1.042 97 N CA 1.775 54.692 53.050 -0.222 0.000 0.879 97 N CB 0.367 38.744 38.487 -0.183 0.000 1.052 97 N HN -0.261 8.126 8.380 -0.369 -0.228 0.446 98 T N -3.763 110.639 114.554 -0.253 0.000 3.118 98 T HA -0.176 3.979 4.350 -0.325 0.000 0.260 98 T C -0.261 174.270 174.700 -0.282 0.000 1.139 98 T CA 1.125 63.064 62.100 -0.268 0.000 1.085 98 T CB 0.335 69.096 68.868 -0.178 0.000 0.934 98 T HN -0.366 7.729 8.240 -0.242 0.000 0.518 99 L N -3.514 117.591 121.223 -0.196 0.000 3.843 99 L HA -0.504 4.074 4.340 0.213 -0.110 0.411 99 L C -1.490 175.457 176.870 0.127 0.000 1.205 99 L CA 0.568 55.433 54.840 0.041 0.000 0.945 99 L CB -2.808 39.262 42.059 0.019 0.000 1.929 99 L HN -0.580 7.443 8.230 -0.250 0.057 0.934 100 D N -1.324 119.093 120.400 0.028 0.000 2.382 100 D HA -0.124 4.585 4.640 0.116 0.000 0.245 100 D C 0.197 176.573 176.300 0.127 0.000 1.120 100 D CA 0.436 54.479 54.000 0.072 0.000 0.890 100 D CB 1.436 42.244 40.800 0.013 0.000 1.201 100 D HN -0.804 7.488 8.370 -0.081 0.029 0.433 101 N N 0.328 119.083 118.700 0.093 0.000 2.688 101 N HA -0.501 4.162 4.740 -0.127 0.000 0.258 101 N C -1.368 174.142 175.510 -0.000 0.000 1.016 101 N CA 1.351 54.352 53.050 -0.082 0.000 0.747 101 N CB -1.342 36.958 38.487 -0.312 0.000 0.895 101 N HN 0.525 8.976 8.380 0.118 0.000 0.543 102 D N -0.607 119.820 120.400 0.044 0.000 2.558 102 D HA 0.103 4.718 4.640 -0.041 0.000 0.221 102 D C -1.876 174.317 176.300 -0.179 0.000 1.143 102 D CA -0.673 53.341 54.000 0.023 0.000 1.010 102 D CB -0.541 40.402 40.800 0.238 0.000 1.068 102 D HN 0.040 8.450 8.370 0.066 0.000 0.511 103 I N 2.579 122.960 120.570 -0.315 0.000 2.752 103 I HA 0.808 5.096 4.170 -0.155 -0.212 0.295 103 I C -3.058 172.983 176.117 -0.127 0.000 1.219 103 I CA -1.398 59.748 61.300 -0.256 0.000 1.030 103 I CB 3.748 41.465 38.000 -0.472 0.000 1.259 103 I HN -0.435 7.533 8.210 -0.343 0.036 0.423 104 M N 4.763 124.403 119.600 0.066 0.000 2.569 104 M HA 0.709 5.539 4.480 0.415 -0.101 0.279 104 M C -2.764 173.717 176.300 0.302 0.000 1.253 104 M CA -1.046 54.399 55.300 0.242 0.000 0.867 104 M CB 4.588 37.272 32.600 0.140 0.000 1.727 104 M HN 0.548 8.785 8.290 0.060 0.088 0.467 105 L N -0.774 120.665 121.223 0.361 0.000 2.330 105 L HA 0.904 5.590 4.340 0.282 -0.177 0.271 105 L C -1.126 175.973 176.870 0.383 0.000 1.013 105 L CA -1.564 53.472 54.840 0.327 0.000 0.816 105 L CB 3.745 45.906 42.059 0.169 0.000 1.287 105 L HN 0.497 8.992 8.230 0.442 0.000 0.435 106 I N 0.203 120.996 120.570 0.371 0.000 2.468 106 I HA 0.528 4.982 4.170 0.140 -0.200 0.284 106 I C -1.579 174.519 176.117 -0.032 0.000 1.038 106 I CA -1.232 60.166 61.300 0.163 0.000 1.083 106 I CB 2.834 40.888 38.000 0.091 0.000 1.223 106 I HN 0.779 9.242 8.210 0.423 0.000 0.443 107 K N 7.626 127.720 120.400 -0.511 0.000 2.276 107 K HA 0.513 4.137 4.320 -1.492 -0.198 0.283 107 K C -0.617 175.681 176.600 -0.504 0.000 1.044 107 K CA -1.078 54.547 56.287 -1.104 0.000 0.944 107 K CB 1.839 33.450 32.500 -1.483 0.000 1.012 107 K HN 0.517 8.469 8.250 -0.318 0.107 0.472 108 L N 6.276 127.252 121.223 -0.411 0.000 2.417 108 L HA -0.014 4.346 4.340 -0.161 -0.116 0.268 108 L C 0.800 177.550 176.870 -0.201 0.000 1.158 108 L CA 0.263 54.971 54.840 -0.219 0.000 0.819 108 L CB 0.344 42.315 42.059 -0.146 0.000 1.112 108 L HN 0.586 8.401 8.230 -0.509 0.110 0.458 109 S N 2.006 117.631 115.700 -0.125 0.000 2.481 109 S HA -0.140 4.261 4.470 -0.115 0.000 0.231 109 S C 0.079 174.635 174.600 -0.073 0.000 0.996 109 S CA 1.612 59.754 58.200 -0.096 0.000 0.942 109 S CB 0.468 63.629 63.200 -0.065 0.000 0.768 109 S HN 0.573 8.824 8.310 -0.099 0.000 0.520 110 S N 1.386 117.047 115.700 -0.064 0.000 2.595 110 S HA 0.342 4.781 4.470 -0.051 0.000 0.281 110 S C -2.741 171.829 174.600 -0.048 0.000 1.117 110 S CA -2.650 55.521 58.200 -0.048 0.000 0.873 110 S CB 1.095 64.279 63.200 -0.026 0.000 1.108 110 S HN -0.794 7.445 8.310 -0.067 0.030 0.477 111 P HA -0.124 4.428 4.420 -0.032 -0.151 0.268 111 P C -0.885 176.413 177.300 -0.003 0.000 1.204 111 P CA -0.326 62.762 63.100 -0.019 0.000 0.768 111 P CB 0.264 31.962 31.700 -0.003 0.000 0.842 112 A N 4.511 127.337 122.820 0.009 0.000 2.425 112 A HA 0.034 4.368 4.320 0.023 0.000 0.249 112 A C 0.009 177.609 177.584 0.027 0.000 1.084 112 A CA -0.443 51.609 52.037 0.025 0.000 0.781 112 A CB 0.965 19.990 19.000 0.041 0.000 1.019 112 A HN 0.344 8.499 8.150 0.009 0.000 0.490 113 T N 4.705 119.274 114.554 0.024 0.000 2.834 113 T HA -0.195 4.168 4.350 0.021 0.000 0.298 113 T C -0.884 173.835 174.700 0.031 0.000 0.966 113 T CA 1.108 63.222 62.100 0.023 0.000 1.141 113 T CB 0.508 69.385 68.868 0.015 0.000 0.905 113 T HN 0.024 8.604 8.240 0.024 -0.326 0.535 114 L N 7.301 128.543 121.223 0.032 0.000 2.275 114 L HA 0.281 4.828 4.340 0.044 -0.180 0.288 114 L C -0.753 176.135 176.870 0.030 0.000 1.046 114 L CA -0.831 54.032 54.840 0.038 0.000 0.805 114 L CB 0.324 42.409 42.059 0.043 0.000 1.193 114 L HN 0.344 8.591 8.230 0.029 0.000 0.426 115 N N 4.784 123.503 118.700 0.030 0.000 3.387 115 N HA 0.278 5.031 4.740 0.021 0.000 0.322 115 N C -0.448 175.077 175.510 0.025 0.000 1.588 115 N CA -0.890 52.174 53.050 0.023 0.000 0.778 115 N CB 0.763 39.260 38.487 0.018 0.000 1.883 115 N HN 0.199 8.600 8.380 0.036 0.000 0.628 116 S N -2.350 113.361 115.700 0.017 0.000 2.399 116 S HA -0.234 4.247 4.470 0.018 0.000 0.231 116 S C 0.589 175.195 174.600 0.010 0.000 1.022 116 S CA 2.394 60.602 58.200 0.014 0.000 0.983 116 S CB -0.097 63.107 63.200 0.007 0.000 0.803 116 S HN 0.280 8.598 8.310 0.014 0.000 0.480 117 R N -1.816 118.690 120.500 0.011 0.000 2.254 117 R HA 0.120 4.457 4.340 -0.006 0.000 0.195 117 R C -1.083 175.231 176.300 0.022 0.000 0.957 117 R CA -0.965 55.141 56.100 0.010 0.000 1.024 117 R CB 1.016 31.325 30.300 0.016 0.000 0.952 117 R HN -0.555 7.861 8.270 0.014 -0.138 0.484 118 V N -0.770 119.165 119.914 0.035 0.000 2.419 118 V HA 0.348 4.710 4.120 0.056 -0.208 0.287 118 V C -2.149 173.983 176.094 0.063 0.000 1.017 118 V CA -1.580 60.752 62.300 0.053 0.000 0.844 118 V CB 1.084 32.941 31.823 0.056 0.000 1.011 118 V HN -0.473 7.774 8.190 0.032 -0.037 0.429 119 A N 7.292 130.164 122.820 0.086 0.000 2.566 119 A HA 0.600 4.973 4.320 0.088 0.000 0.292 119 A C -2.437 175.244 177.584 0.162 0.000 1.112 119 A CA -1.297 50.805 52.037 0.108 0.000 0.707 119 A CB 3.225 22.287 19.000 0.104 0.000 1.302 119 A HN 0.017 8.090 8.150 0.088 0.129 0.409 120 T N -2.543 112.092 114.554 0.136 0.000 2.849 120 T HA 0.412 5.042 4.350 0.155 -0.187 0.284 120 T C -0.372 174.401 174.700 0.121 0.000 1.004 120 T CA -1.345 60.833 62.100 0.130 0.000 1.021 120 T CB 1.483 70.403 68.868 0.085 0.000 1.013 120 T HN -0.079 8.224 8.240 0.106 0.000 0.527 121 V N 1.693 121.624 119.914 0.029 0.000 2.540 121 V HA 0.210 4.276 4.120 -0.090 0.000 0.302 121 V C -0.942 175.096 176.094 -0.092 0.000 1.035 121 V CA -2.825 59.394 62.300 -0.136 0.000 0.873 121 V CB 2.881 34.365 31.823 -0.565 0.000 0.992 121 V HN 0.152 8.368 8.190 0.043 0.000 0.428 122 S N 8.000 123.652 115.700 -0.080 0.000 2.573 122 S HA -0.018 4.435 4.470 -0.029 0.000 0.277 122 S C -0.541 174.023 174.600 -0.060 0.000 1.346 122 S CA 1.181 59.351 58.200 -0.050 0.000 1.034 122 S CB 0.736 63.913 63.200 -0.038 0.000 0.879 122 S HN 0.279 8.539 8.310 -0.084 0.000 0.528 123 L N 2.419 123.622 121.223 -0.033 0.000 2.439 123 L HA 0.211 4.538 4.340 -0.023 0.000 0.261 123 L C -1.479 175.381 176.870 -0.017 0.000 1.153 123 L CA -2.092 52.736 54.840 -0.020 0.000 0.808 123 L CB 0.745 42.800 42.059 -0.006 0.000 1.126 123 L HN 0.263 8.478 8.230 -0.025 0.000 0.460 124 P HA 0.003 4.568 4.420 -0.019 -0.156 0.275 124 P C -0.768 176.529 177.300 -0.006 0.000 1.227 124 P CA -0.493 62.602 63.100 -0.009 0.000 0.781 124 P CB 0.546 32.245 31.700 -0.001 0.000 0.906 128 c N 2.064 120.657 118.600 -0.011 0.000 2.676 128 c HA -0.027 4.686 4.570 -0.008 -0.147 0.416 128 c C 1.030 175.110 174.090 -0.015 0.000 1.299 128 c CA -0.178 56.144 56.329 -0.011 0.000 2.048 128 c CB -0.546 41.958 42.510 -0.012 0.000 2.713 128 c HN 0.147 8.369 8.230 -0.013 0.000 0.624 129 A N 3.785 126.593 122.820 -0.020 0.000 2.388 129 A HA -0.038 4.268 4.320 -0.024 0.000 0.257 129 A C -0.690 176.879 177.584 -0.025 0.000 1.095 129 A CA -0.127 51.894 52.037 -0.026 0.000 0.791 129 A CB 0.659 19.636 19.000 -0.038 0.000 1.029 129 A HN 0.265 8.403 8.150 -0.019 0.000 0.489 133 G N 2.510 111.278 108.800 -0.054 0.000 2.195 133 G HA2 -0.319 3.601 3.960 -0.067 0.000 0.246 133 G HA3 -0.319 3.618 3.960 -0.038 0.000 0.246 133 G C -0.025 174.845 174.900 -0.051 0.000 0.984 133 G CA -0.163 44.905 45.100 -0.053 0.000 0.633 133 G HN 0.710 8.845 8.290 -0.068 0.114 0.525 134 T N 3.682 118.205 114.554 -0.051 0.000 2.871 134 T HA -0.166 4.165 4.350 -0.033 0.000 0.296 134 T C -0.950 173.716 174.700 -0.055 0.000 0.998 134 T CA 2.173 64.246 62.100 -0.045 0.000 1.162 134 T CB 0.553 69.394 68.868 -0.045 0.000 0.947 134 T HN -0.608 7.535 8.240 -0.051 0.067 0.536 135 E N 6.790 126.969 120.200 -0.035 0.000 2.338 135 E HA -0.082 4.359 4.350 -0.042 -0.116 0.272 135 E C -1.013 175.569 176.600 -0.030 0.000 1.029 135 E CA 0.710 57.094 56.400 -0.026 0.000 0.872 135 E CB 1.140 30.843 29.700 0.005 0.000 1.015 135 E HN 0.164 8.510 8.360 -0.024 0.000 0.417 136 c N 3.229 121.806 118.600 -0.037 0.000 3.044 136 c HA 0.629 5.316 4.570 -0.034 -0.138 0.315 136 c C -1.686 172.400 174.090 -0.006 0.000 1.320 136 c CA -1.375 54.928 56.329 -0.045 0.000 1.582 136 c CB 3.959 46.402 42.510 -0.111 0.000 2.039 136 c HN 0.442 8.649 8.230 -0.038 0.000 0.466 137 L N 0.876 122.101 121.223 0.003 0.000 2.349 137 L HA 0.852 5.410 4.340 0.045 -0.191 0.278 137 L C -2.253 174.624 176.870 0.011 0.000 0.996 137 L CA -1.337 53.524 54.840 0.035 0.000 0.825 137 L CB 3.592 45.700 42.059 0.082 0.000 1.243 137 L HN 0.662 8.778 8.230 -0.009 0.108 0.412 138 I N 7.014 127.576 120.570 -0.013 0.000 2.474 138 I HA 0.827 5.210 4.170 -0.003 -0.215 0.294 138 I C -1.309 174.777 176.117 -0.051 0.000 1.005 138 I CA -1.710 59.579 61.300 -0.018 0.000 1.113 138 I CB 2.224 40.216 38.000 -0.013 0.000 1.289 138 I HN 0.834 9.040 8.210 -0.007 0.000 0.436 139 S N 3.027 118.695 115.700 -0.053 0.000 2.588 139 S HA 0.801 5.270 4.470 -0.216 -0.128 0.275 139 S C -1.248 173.243 174.600 -0.181 0.000 1.130 139 S CA -1.729 56.367 58.200 -0.173 0.000 0.855 139 S CB 3.587 66.643 63.200 -0.239 0.000 1.116 139 S HN -0.201 8.112 8.310 0.005 0.000 0.472 140 G N -1.307 107.283 108.800 -0.349 0.000 2.313 140 G HA2 0.207 3.878 3.960 -0.481 0.000 0.296 140 G HA3 0.207 4.248 3.960 -0.089 -0.135 0.296 140 G C -2.102 172.506 174.900 -0.486 0.000 1.356 140 G CA 0.649 45.537 45.100 -0.353 0.000 0.833 140 G HN -0.107 7.915 8.290 -0.447 0.000 0.552 141 W N 0.756 121.958 121.300 -0.165 0.000 3.223 141 W HA 0.349 4.902 4.660 -0.179 0.000 0.389 141 W C -0.368 176.096 176.519 -0.093 0.000 1.118 141 W CA -0.871 56.313 57.345 -0.269 0.000 1.902 141 W CB 0.151 29.224 29.460 -0.645 0.000 1.094 141 W HN 0.549 8.809 8.180 0.134 0.000 0.666 142 G N -0.118 108.789 108.800 0.178 0.000 2.712 142 G HA2 -0.193 4.090 3.960 0.469 0.000 0.258 142 G HA3 -0.193 4.127 3.960 0.196 -0.242 0.258 142 G C -0.754 174.167 174.900 0.035 0.000 1.241 142 G CA -0.465 44.783 45.100 0.246 0.000 0.923 142 G HN -0.248 8.391 8.290 0.102 -0.288 0.548 143 N N -1.130 117.444 118.700 -0.211 0.000 2.345 143 N HA -0.321 4.020 4.740 -0.954 -0.173 0.243 143 N C 0.576 175.938 175.510 -0.247 0.000 1.246 143 N CA 0.972 53.676 53.050 -0.576 0.000 0.863 143 N CB 1.102 39.234 38.487 -0.590 0.000 1.096 143 N HN -0.106 8.277 8.380 0.006 0.000 0.446 144 T N -1.958 112.459 114.554 -0.228 0.000 3.010 144 T HA 0.246 4.650 4.350 -0.100 -0.114 0.257 144 T C 0.354 174.995 174.700 -0.098 0.000 1.020 144 T CA 0.077 62.101 62.100 -0.126 0.000 0.938 144 T CB 1.278 70.087 68.868 -0.099 0.000 1.049 144 T HN 0.106 8.165 8.240 -0.302 0.000 0.522 145 K N 2.652 122.982 120.400 -0.117 0.000 2.159 145 K HA 0.197 4.483 4.320 -0.056 0.000 0.266 145 K C 0.535 177.100 176.600 -0.058 0.000 0.975 145 K CA -1.375 54.866 56.287 -0.076 0.000 0.865 145 K CB 1.276 33.732 32.500 -0.074 0.000 1.087 145 K HN -0.665 7.783 8.250 -0.175 -0.303 0.446 146 S N 1.655 117.335 115.700 -0.034 0.000 2.562 146 S HA -0.084 4.376 4.470 -0.016 0.000 0.221 146 S C -0.129 174.462 174.600 -0.015 0.000 0.975 146 S CA 0.880 59.069 58.200 -0.018 0.000 0.918 146 S CB 0.688 63.884 63.200 -0.006 0.000 0.772 146 S HN 0.166 8.457 8.310 -0.030 0.000 0.531 147 S N 0.027 115.715 115.700 -0.020 0.000 2.721 147 S HA 0.090 4.555 4.470 -0.009 0.000 0.264 147 S C -0.685 173.905 174.600 -0.016 0.000 1.161 147 S CA -0.527 57.665 58.200 -0.013 0.000 1.113 147 S CB 0.252 63.448 63.200 -0.007 0.000 1.079 147 S HN -0.830 7.400 8.310 -0.028 0.063 0.479 148 G N 6.449 115.241 108.800 -0.013 0.000 2.508 148 G HA2 -0.211 3.752 3.960 0.006 0.000 0.220 148 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.220 148 G C -2.171 172.711 174.900 -0.029 0.000 1.287 148 G CA -0.273 44.823 45.100 -0.008 0.000 0.916 148 G HN 0.184 8.468 8.290 -0.010 0.000 0.574 149 S N -1.117 114.566 115.700 -0.029 0.000 2.548 149 S HA 0.127 4.700 4.470 -0.191 -0.217 0.276 149 S C -1.699 172.849 174.600 -0.086 0.000 1.129 149 S CA -0.765 57.382 58.200 -0.089 0.000 0.931 149 S CB 3.093 66.319 63.200 0.042 0.000 1.068 149 S HN -0.172 8.135 8.310 -0.005 0.000 0.480 150 S N 1.633 117.203 115.700 -0.216 0.000 2.750 150 S HA 0.187 4.653 4.470 -0.006 0.000 0.276 150 S C -1.843 172.601 174.600 -0.260 0.000 1.165 150 S CA -0.396 57.728 58.200 -0.127 0.000 1.047 150 S CB 1.268 64.426 63.200 -0.070 0.000 1.056 150 S HN 0.544 8.988 8.310 -0.391 -0.369 0.481 151 Y N 6.529 126.846 120.300 0.028 0.000 2.383 151 Y HA 0.221 4.795 4.550 0.040 0.000 0.344 151 Y C -0.921 174.996 175.900 0.028 0.000 0.986 151 Y CA -2.548 55.574 58.100 0.036 0.000 1.175 151 Y CB 0.286 38.775 38.460 0.047 0.000 1.152 151 Y HN 0.213 8.630 8.280 0.229 0.000 0.511 152 P HA 0.330 4.786 4.420 0.059 0.000 0.279 152 P C -1.464 175.916 177.300 0.134 0.000 1.252 152 P CA -1.240 61.913 63.100 0.089 0.000 0.811 152 P CB 1.939 33.662 31.700 0.037 0.000 1.035 153 S N -1.768 113.978 115.700 0.076 0.000 2.377 153 S HA -0.093 4.517 4.470 0.017 -0.130 0.223 153 S C 0.009 174.680 174.600 0.118 0.000 1.030 153 S CA 1.878 60.108 58.200 0.050 0.000 0.970 153 S CB 0.856 64.056 63.200 0.001 0.000 0.830 153 S HN 0.161 8.497 8.310 0.044 0.000 0.473 154 L N -1.357 119.879 121.223 0.023 0.000 2.357 154 L HA 0.162 4.499 4.340 -0.318 -0.188 0.273 154 L C -0.617 176.176 176.870 -0.129 0.000 1.080 154 L CA -1.422 53.304 54.840 -0.190 0.000 0.803 154 L CB 1.207 43.075 42.059 -0.319 0.000 1.174 154 L HN -0.605 7.624 8.230 -0.001 0.000 0.443 155 L N 2.427 123.507 121.223 -0.238 0.000 2.477 155 L HA -0.069 3.469 4.340 -1.337 0.000 0.272 155 L C -0.666 175.974 176.870 -0.383 0.000 1.157 155 L CA 0.432 54.900 54.840 -0.620 0.000 0.889 155 L CB 0.678 42.431 42.059 -0.511 0.000 1.158 155 L HN -0.022 8.021 8.230 -0.311 0.000 0.473 156 Q N 5.535 125.059 119.800 -0.460 0.000 2.227 156 Q HA 0.380 4.666 4.340 -0.320 -0.137 0.245 156 Q C -0.743 175.002 176.000 -0.424 0.000 0.926 156 Q CA -1.466 54.119 55.803 -0.363 0.000 0.895 156 Q CB 1.895 30.470 28.738 -0.273 0.000 1.230 156 Q HN -0.111 7.797 8.270 -0.605 0.000 0.450 157 c N -0.769 117.490 118.600 -0.568 0.000 2.802 157 c HA 0.909 5.431 4.570 -0.379 -0.179 0.307 157 c C -1.819 171.891 174.090 -0.634 0.000 1.222 157 c CA -0.697 55.254 56.329 -0.631 0.000 1.580 157 c CB 4.148 46.150 42.510 -0.846 0.000 2.119 157 c HN 0.548 8.369 8.230 -0.681 0.000 0.479 158 L N 0.427 121.496 121.223 -0.257 0.000 2.543 158 L HA 0.371 4.744 4.340 0.054 0.000 0.265 158 L C -2.417 174.525 176.870 0.120 0.000 0.945 158 L CA 0.196 55.031 54.840 -0.009 0.000 0.869 158 L CB 4.291 46.366 42.059 0.026 0.000 1.294 158 L HN 0.531 8.656 8.230 -0.174 0.000 0.405 159 K N 7.127 127.676 120.400 0.248 0.000 2.276 159 K HA 0.617 5.243 4.320 0.149 -0.216 0.283 159 K C -0.803 175.965 176.600 0.281 0.000 1.044 159 K CA -1.122 55.295 56.287 0.216 0.000 0.944 159 K CB 0.018 32.644 32.500 0.210 0.000 1.012 159 K HN 0.281 8.730 8.250 0.331 0.000 0.472 160 A N 3.590 126.495 122.820 0.142 0.000 2.566 160 A HA 0.494 4.842 4.320 0.046 0.000 0.297 160 A C -3.493 173.989 177.584 -0.169 0.000 1.059 160 A CA -1.868 50.167 52.037 -0.004 0.000 0.691 160 A CB 2.607 21.601 19.000 -0.011 0.000 1.282 160 A HN 0.348 8.537 8.150 0.065 0.000 0.401 161 P HA 0.470 4.998 4.420 -0.147 -0.196 0.281 161 P C -1.042 176.117 177.300 -0.235 0.000 1.249 161 P CA -1.318 61.642 63.100 -0.233 0.000 0.810 161 P CB 1.020 32.580 31.700 -0.233 0.000 1.008 162 V N 1.467 121.284 119.914 -0.161 0.000 2.655 162 V HA -0.176 3.856 4.120 -0.147 0.000 0.300 162 V C 0.258 176.285 176.094 -0.111 0.000 1.044 162 V CA 1.859 64.080 62.300 -0.131 0.000 1.095 162 V CB -0.057 31.710 31.823 -0.094 0.000 0.952 162 V HN -0.004 8.108 8.190 -0.129 0.000 0.485 163 L N 5.903 127.074 121.223 -0.087 0.000 2.344 163 L HA 0.335 4.631 4.340 -0.074 0.000 0.272 163 L C -0.530 176.321 176.870 -0.031 0.000 1.035 163 L CA -1.111 53.692 54.840 -0.062 0.000 0.807 163 L CB 1.315 43.343 42.059 -0.051 0.000 1.237 163 L HN 0.273 8.458 8.230 -0.076 0.000 0.442 164 S N 0.886 116.573 115.700 -0.022 0.000 2.558 164 S HA -0.171 4.293 4.470 -0.011 0.000 0.291 164 S C 0.733 175.336 174.600 0.005 0.000 1.306 164 S CA -0.015 58.179 58.200 -0.009 0.000 1.056 164 S CB 0.773 63.969 63.200 -0.006 0.000 0.836 164 S HN 0.164 8.457 8.310 -0.028 0.000 0.504 165 D N 2.770 123.176 120.400 0.010 0.000 2.263 165 D HA -0.286 4.371 4.640 0.030 0.000 0.208 165 D C 1.552 177.869 176.300 0.028 0.000 0.971 165 D CA 2.848 56.861 54.000 0.022 0.000 0.867 165 D CB -0.402 40.410 40.800 0.020 0.000 0.929 165 D HN 0.455 8.827 8.370 0.005 0.000 0.492 166 S N -1.117 114.595 115.700 0.019 0.000 2.335 166 S HA -0.239 4.245 4.470 0.024 0.000 0.217 166 S C 2.021 176.634 174.600 0.022 0.000 1.032 166 S CA 2.758 60.970 58.200 0.019 0.000 0.985 166 S CB -0.146 63.060 63.200 0.011 0.000 0.896 166 S HN -0.256 8.024 8.310 0.012 0.036 0.445 167 S N 4.220 119.929 115.700 0.015 0.000 2.400 167 S HA -0.291 4.182 4.470 0.006 0.000 0.232 167 S C 1.731 176.348 174.600 0.030 0.000 1.025 167 S CA 2.949 61.156 58.200 0.012 0.000 0.993 167 S CB -0.784 62.416 63.200 0.000 0.000 0.808 167 S HN -0.132 8.183 8.310 0.009 0.000 0.478 168 c N 0.965 119.596 118.600 0.052 0.000 2.457 168 c HA -0.195 4.451 4.570 0.126 0.000 0.278 168 c C 2.235 176.418 174.090 0.154 0.000 1.309 168 c CA 1.731 58.123 56.329 0.105 0.000 1.735 168 c CB -1.884 40.672 42.510 0.078 0.000 1.992 168 c HN -0.132 8.098 8.230 0.040 0.023 0.493 169 K N -0.522 119.941 120.400 0.105 0.000 2.103 169 K HA -0.298 4.113 4.320 0.153 0.000 0.204 169 K C 1.901 178.553 176.600 0.086 0.000 1.052 169 K CA 2.953 59.306 56.287 0.109 0.000 0.945 169 K CB 0.082 32.625 32.500 0.072 0.000 0.722 169 K HN -0.427 7.780 8.250 0.072 0.087 0.443 170 S N -1.355 114.372 115.700 0.045 0.000 2.402 170 S HA -0.174 4.304 4.470 0.015 0.000 0.229 170 S C 1.711 176.294 174.600 -0.028 0.000 1.021 170 S CA 2.735 60.941 58.200 0.011 0.000 0.974 170 S CB -0.315 62.883 63.200 -0.002 0.000 0.800 170 S HN -0.133 8.117 8.310 0.041 0.084 0.484 171 S N 0.111 115.779 115.700 -0.054 0.000 2.402 171 S HA -0.120 4.191 4.470 -0.265 0.000 0.229 171 S C -1.599 172.768 174.600 -0.387 0.000 1.021 171 S CA 2.898 60.940 58.200 -0.263 0.000 0.974 171 S CB 1.187 64.203 63.200 -0.308 0.000 0.800 171 S HN -0.574 7.738 8.310 0.003 0.000 0.484 172 Y N -3.560 116.769 120.300 0.048 0.000 2.513 172 Y HA 0.469 5.124 4.550 0.079 -0.057 0.341 172 Y C -2.517 173.432 175.900 0.081 0.000 1.075 172 Y CA -2.987 55.172 58.100 0.098 0.000 1.190 172 Y CB 0.935 39.519 38.460 0.207 0.000 1.111 172 Y HN -1.043 7.219 8.280 0.188 0.131 0.644 173 P HA -0.014 4.577 4.420 0.090 -0.117 0.260 173 P C 0.424 177.782 177.300 0.096 0.000 1.185 173 P CA 0.393 63.549 63.100 0.095 0.000 0.763 173 P CB 0.117 31.843 31.700 0.044 0.000 0.776 174 G N 5.696 114.547 108.800 0.084 0.000 2.168 174 G HA2 -0.247 3.744 3.960 0.052 0.000 0.257 174 G HA3 -0.247 3.738 3.960 0.041 0.000 0.257 174 G C 0.188 175.129 174.900 0.068 0.000 0.997 174 G CA 0.993 46.130 45.100 0.061 0.000 0.708 174 G HN 0.470 8.810 8.290 0.082 0.000 0.520 175 Q N -2.474 117.400 119.800 0.124 0.000 2.280 175 Q HA 0.185 4.546 4.340 0.035 0.000 0.244 175 Q C -0.212 175.904 176.000 0.194 0.000 0.847 175 Q CA -0.085 55.794 55.803 0.127 0.000 0.945 175 Q CB 1.676 30.533 28.738 0.198 0.000 1.115 175 Q HN -0.466 7.866 8.270 0.168 0.038 0.513 176 I N 1.290 121.976 120.570 0.193 0.000 2.291 176 I HA 0.026 4.336 4.170 0.233 0.000 0.292 176 I C 0.446 176.632 176.117 0.114 0.000 1.064 176 I CA -1.553 59.852 61.300 0.175 0.000 1.269 176 I CB -2.010 36.076 38.000 0.144 0.000 1.418 176 I HN -0.384 7.931 8.210 0.175 0.000 0.485 177 T N 4.615 119.235 114.554 0.111 0.000 2.698 177 T HA 0.074 4.457 4.350 0.055 0.000 0.295 177 T C 1.413 176.152 174.700 0.065 0.000 1.007 177 T CA -0.816 61.328 62.100 0.073 0.000 0.980 177 T CB 1.322 70.231 68.868 0.068 0.000 1.036 177 T HN -0.274 8.055 8.240 0.149 0.000 0.526 178 G N -2.574 106.250 108.800 0.040 0.000 2.848 178 G HA2 -0.076 3.901 3.960 0.028 0.000 0.208 178 G HA3 -0.076 3.889 3.960 0.007 0.000 0.208 178 G C -0.458 174.457 174.900 0.024 0.000 1.152 178 G CA 0.445 45.560 45.100 0.024 0.000 0.789 178 G HN 0.311 8.620 8.290 0.031 0.000 0.531 179 N N -0.286 118.447 118.700 0.055 0.000 2.276 179 N HA 0.057 4.834 4.740 0.062 0.000 0.212 179 N C -1.452 174.150 175.510 0.155 0.000 1.127 179 N CA -0.498 52.615 53.050 0.105 0.000 0.834 179 N CB 0.600 39.178 38.487 0.152 0.000 1.014 179 N HN -0.666 7.681 8.380 0.067 0.074 0.491 180 M N -1.552 118.117 119.600 0.115 0.000 2.457 180 M HA 0.588 5.326 4.480 0.123 -0.185 0.300 180 M C -2.089 174.255 176.300 0.072 0.000 1.141 180 M CA -0.331 55.032 55.300 0.106 0.000 0.901 180 M CB 4.870 37.542 32.600 0.120 0.000 1.687 180 M HN -0.917 7.331 8.290 0.087 0.095 0.449 181 I N -6.848 113.766 120.570 0.073 0.000 2.647 181 I HA 0.607 4.803 4.170 0.043 0.000 0.295 181 I C -2.367 173.805 176.117 0.090 0.000 1.078 181 I CA -2.389 58.950 61.300 0.064 0.000 1.048 181 I CB 3.564 41.595 38.000 0.052 0.000 1.239 181 I HN 0.556 8.820 8.210 0.090 0.000 0.421 182 c N 4.014 122.651 118.600 0.062 0.000 2.401 182 c HA 0.756 5.620 4.570 0.143 -0.208 0.365 182 c C -0.375 173.754 174.090 0.065 0.000 1.250 182 c CA -0.429 55.956 56.329 0.094 0.000 2.131 182 c CB 0.439 42.987 42.510 0.063 0.000 2.445 182 c HN 0.873 9.126 8.230 0.038 0.000 0.550 183 V N 3.523 123.501 119.914 0.108 0.000 2.568 183 V HA 0.378 4.556 4.120 -0.149 -0.148 0.276 183 V C -2.088 173.986 176.094 -0.035 0.000 1.002 183 V CA -0.169 62.066 62.300 -0.107 0.000 0.879 183 V CB 1.517 33.069 31.823 -0.451 0.000 1.040 183 V HN 0.157 8.530 8.190 0.305 0.000 0.457 184 F N 4.067 124.042 119.950 0.042 0.000 2.361 184 F HA 0.336 4.876 4.527 0.022 0.000 0.364 184 F C 0.795 176.609 175.800 0.024 0.000 1.117 184 F CA -0.473 57.543 58.000 0.028 0.000 1.071 184 F CB 0.928 39.944 39.000 0.026 0.000 1.188 184 F HN 0.333 8.756 8.300 0.205 0.000 0.464 185 L N 4.331 125.622 121.223 0.115 0.000 2.127 185 L HA -0.420 3.950 4.340 0.049 0.000 0.211 185 L C 1.338 178.259 176.870 0.085 0.000 1.089 185 L CA 2.901 57.783 54.840 0.070 0.000 0.757 185 L CB -0.697 41.381 42.059 0.032 0.000 0.899 185 L HN 0.395 8.664 8.230 0.065 0.000 0.434 186 E N -2.090 118.183 120.200 0.121 0.000 2.265 186 E HA -0.207 4.178 4.350 0.058 0.000 0.196 186 E C 0.461 177.104 176.600 0.072 0.000 0.996 186 E CA 0.425 56.876 56.400 0.085 0.000 0.832 186 E CB -0.563 29.186 29.700 0.081 0.000 0.756 186 E HN 0.086 8.529 8.360 0.170 0.019 0.491 187 G N 0.181 109.042 108.800 0.102 0.000 3.383 187 G HA2 -0.360 3.828 3.960 0.097 0.000 0.685 187 G HA3 -0.360 3.637 3.960 0.055 -0.004 0.685 187 G C -0.785 174.146 174.900 0.051 0.000 1.104 187 G CA -0.439 44.708 45.100 0.079 0.000 0.957 187 G HN -0.601 7.747 8.290 0.158 0.037 0.461 188 K N 0.882 121.293 120.400 0.019 0.000 6.490 188 K HA -0.578 3.983 4.320 0.014 -0.232 0.811 188 K C -1.707 175.022 176.600 0.214 0.000 2.112 188 K CA 0.348 56.662 56.287 0.045 0.000 1.664 188 K CB 0.018 32.399 32.500 -0.197 0.000 2.161 188 K HN 0.352 8.650 8.250 0.080 0.000 0.289 189 D N 1.049 121.541 120.400 0.152 0.000 2.653 189 D HA 0.331 5.108 4.640 0.229 0.000 0.258 189 D C -1.783 174.593 176.300 0.126 0.000 1.252 189 D CA -0.826 53.277 54.000 0.170 0.000 0.777 189 D CB 4.676 45.559 40.800 0.139 0.000 1.339 189 D HN 0.085 8.510 8.370 0.092 0.000 0.422 190 S N -0.322 115.472 115.700 0.156 0.000 2.634 190 S HA 0.233 4.823 4.470 0.078 -0.073 0.261 190 S C -1.043 173.603 174.600 0.076 0.000 1.271 190 S CA -0.096 58.172 58.200 0.114 0.000 0.985 190 S CB 1.081 64.381 63.200 0.168 0.000 0.968 190 S HN 0.012 8.454 8.310 0.220 0.000 0.568 191 c N -1.731 116.912 118.600 0.072 0.000 3.316 191 c HA 0.258 4.867 4.570 0.065 0.000 0.360 191 c C -1.416 172.746 174.090 0.121 0.000 1.560 191 c CA -0.645 55.725 56.329 0.070 0.000 1.229 191 c CB 2.836 45.362 42.510 0.027 0.000 1.823 191 c HN 0.338 8.959 8.230 0.082 -0.342 0.440 192 Q N 2.101 121.990 119.800 0.148 0.000 2.283 192 Q HA -0.374 4.097 4.340 0.219 0.000 0.301 192 Q C 0.892 177.094 176.000 0.337 0.000 1.063 192 Q CA 2.097 58.039 55.803 0.231 0.000 0.952 192 Q CB 0.485 29.369 28.738 0.242 0.000 1.166 192 Q HN 0.510 8.847 8.270 0.111 0.000 0.381 193 G N 6.167 115.164 108.800 0.328 0.000 2.213 193 G HA2 -0.420 3.740 3.960 0.333 0.000 0.236 193 G HA3 -0.420 3.852 3.960 0.519 0.000 0.236 193 G C 0.632 175.770 174.900 0.395 0.000 0.991 193 G CA 0.957 46.299 45.100 0.403 0.000 0.629 193 G HN 0.764 9.220 8.290 0.278 0.000 0.517 194 D N 1.492 122.048 120.400 0.261 0.000 2.348 194 D HA 0.029 4.800 4.640 0.217 0.000 0.211 194 D C -0.093 176.308 176.300 0.168 0.000 0.998 194 D CA 1.327 55.445 54.000 0.197 0.000 0.873 194 D CB 0.192 41.072 40.800 0.134 0.000 0.925 194 D HN 0.033 8.461 8.370 0.232 0.081 0.524 195 S N -0.951 114.848 115.700 0.166 0.000 2.558 195 S HA -0.267 4.439 4.470 0.151 -0.144 0.293 195 S C 1.210 175.823 174.600 0.023 0.000 1.292 195 S CA 2.191 60.469 58.200 0.129 0.000 1.063 195 S CB -0.582 62.742 63.200 0.208 0.000 0.831 195 S HN -0.222 8.161 8.310 0.200 0.047 0.499 196 G N 5.137 113.945 108.800 0.013 0.000 2.241 196 G HA2 -0.407 3.610 3.960 -0.022 0.000 0.244 196 G HA3 -0.407 3.628 3.960 -0.064 -0.114 0.244 196 G C -0.252 174.682 174.900 0.058 0.000 0.998 196 G CA 0.370 45.463 45.100 -0.011 0.000 0.621 196 G HN 0.735 8.953 8.290 0.065 0.111 0.519 197 G N 0.939 109.799 108.800 0.099 0.000 2.588 197 G HA2 0.407 4.516 3.960 0.126 0.000 0.281 197 G HA3 0.407 4.442 3.960 0.125 0.000 0.281 197 G C -2.702 172.282 174.900 0.139 0.000 1.236 197 G CA -1.972 43.203 45.100 0.125 0.000 0.969 197 G HN -0.272 7.998 8.290 0.106 0.084 0.504 198 P HA 0.356 4.935 4.420 0.093 -0.103 0.284 198 P C -1.500 175.846 177.300 0.077 0.000 1.258 198 P CA -0.725 62.450 63.100 0.125 0.000 0.824 198 P CB 2.008 33.849 31.700 0.235 0.000 1.038 199 V N 0.289 120.203 119.914 0.000 0.000 2.447 199 V HA 0.424 4.697 4.120 -0.075 -0.198 0.292 199 V C -1.504 174.535 176.094 -0.091 0.000 1.021 199 V CA -1.037 61.207 62.300 -0.094 0.000 0.850 199 V CB 2.430 34.088 31.823 -0.275 0.000 1.005 199 V HN -0.160 8.027 8.190 -0.005 0.000 0.426 200 V N 6.720 126.593 119.914 -0.069 0.000 2.495 200 V HA 0.633 4.874 4.120 -0.129 -0.198 0.298 200 V C -1.267 174.792 176.094 -0.057 0.000 1.031 200 V CA -2.082 60.160 62.300 -0.097 0.000 0.871 200 V CB 2.522 34.259 31.823 -0.143 0.000 0.988 200 V HN 0.548 8.724 8.190 -0.025 0.000 0.432 201 c N 5.867 124.428 118.600 -0.064 0.000 2.608 201 c HA 0.529 5.171 4.570 -0.031 -0.091 0.325 201 c C 0.204 174.272 174.090 -0.037 0.000 1.147 201 c CA -1.253 55.049 56.329 -0.045 0.000 1.359 201 c CB 3.216 45.691 42.510 -0.058 0.000 1.912 201 c HN 0.843 9.025 8.230 -0.079 0.000 0.466 202 N N 4.790 123.477 118.700 -0.022 0.000 2.716 202 N HA -0.402 4.334 4.740 -0.007 0.000 0.250 202 N C 0.097 175.595 175.510 -0.020 0.000 1.033 202 N CA 0.825 53.866 53.050 -0.016 0.000 0.727 202 N CB -1.356 37.121 38.487 -0.017 0.000 0.950 202 N HN 1.017 9.388 8.380 -0.014 0.000 0.541 203 G N -7.919 100.867 108.800 -0.023 0.000 2.155 203 G HA2 -0.503 3.441 3.960 -0.026 0.000 0.257 203 G HA3 -0.503 3.446 3.960 -0.018 0.000 0.257 203 G C -1.563 173.294 174.900 -0.072 0.000 0.983 203 G CA 0.288 45.368 45.100 -0.034 0.000 0.676 203 G HN 0.417 8.688 8.290 -0.016 0.009 0.528 210 Q N 1.178 120.952 119.800 -0.045 0.000 2.378 210 Q HA 0.270 4.613 4.340 0.005 0.000 0.229 210 Q C -0.292 175.712 176.000 0.006 0.000 0.882 210 Q CA 0.095 55.887 55.803 -0.019 0.000 0.936 210 Q CB 2.865 31.576 28.738 -0.046 0.000 1.092 210 Q HN 0.573 8.800 8.270 -0.072 0.000 0.535 211 G N -2.341 106.456 108.800 -0.007 0.000 2.619 211 G HA2 0.599 4.881 3.960 0.111 0.000 0.296 211 G HA3 0.599 4.557 3.960 -0.003 0.000 0.296 211 G C -3.247 171.723 174.900 0.117 0.000 1.334 211 G CA -0.709 44.426 45.100 0.059 0.000 0.934 211 G HN -0.274 7.994 8.290 -0.036 0.000 0.476 212 I N -0.118 120.575 120.570 0.206 0.000 2.447 212 I HA 0.505 5.000 4.170 0.172 -0.222 0.287 212 I C -0.454 175.831 176.117 0.281 0.000 1.023 212 I CA -1.307 60.109 61.300 0.194 0.000 1.083 212 I CB 3.837 41.898 38.000 0.102 0.000 1.245 212 I HN -0.399 7.954 8.210 0.239 0.000 0.434 213 V N 8.261 128.349 119.914 0.290 0.000 2.506 213 V HA -0.273 3.785 4.120 -0.104 0.000 0.296 213 V C -0.895 175.233 176.094 0.058 0.000 1.004 213 V CA 2.509 64.885 62.300 0.126 0.000 1.150 213 V CB -1.101 30.826 31.823 0.174 0.000 0.911 213 V HN 0.320 8.667 8.190 0.261 0.000 0.476 214 S N 8.104 123.750 115.700 -0.090 0.000 3.334 214 S HA 0.348 5.034 4.470 0.360 0.000 0.224 214 S C -1.405 173.311 174.600 0.192 0.000 0.959 214 S CA 0.427 58.714 58.200 0.145 0.000 0.815 214 S CB 2.834 66.109 63.200 0.125 0.000 0.861 214 S HN -0.033 8.001 8.310 -0.460 0.000 0.596 215 W N -3.615 117.570 121.300 -0.191 0.000 2.874 215 W HA 0.285 4.868 4.660 -0.128 0.000 0.403 215 W C -2.878 173.530 176.519 -0.184 0.000 1.144 215 W CA -0.900 56.340 57.345 -0.174 0.000 1.175 215 W CB 2.071 31.422 29.460 -0.180 0.000 1.483 215 W HN 0.226 8.101 8.180 -0.507 0.000 0.591 216 G N -3.748 105.181 108.800 0.215 0.000 2.411 216 G HA2 0.050 3.918 3.960 -0.153 0.000 0.295 216 G HA3 0.050 4.039 3.960 0.048 0.000 0.295 216 G C -2.897 172.261 174.900 0.432 0.000 1.542 216 G CA 0.213 45.398 45.100 0.143 0.000 0.814 216 G HN -0.043 8.553 8.290 0.511 0.000 0.557 220 c N 1.506 120.120 118.600 0.025 0.000 3.246 220 c HA 0.273 5.016 4.570 0.067 -0.133 0.204 220 c C -1.307 172.815 174.090 0.053 0.000 1.879 220 c CA -1.151 55.207 56.329 0.047 0.000 1.318 220 c CB -1.568 40.959 42.510 0.029 0.000 2.288 220 c HN 0.319 8.553 8.230 0.005 0.000 0.530 221 Q N -1.785 118.062 119.800 0.078 0.000 2.980 221 Q HA 0.076 4.452 4.340 0.060 0.000 0.257 221 Q C -1.818 174.223 176.000 0.068 0.000 0.964 221 Q CA -0.345 55.503 55.803 0.076 0.000 0.850 221 Q CB 2.321 31.123 28.738 0.107 0.000 2.032 221 Q HN 0.109 8.433 8.270 0.090 0.000 0.542 222 K N 2.592 123.022 120.400 0.051 0.000 2.489 222 K HA -0.244 4.249 4.320 0.044 -0.147 0.278 222 K C 0.828 177.432 176.600 0.006 0.000 1.000 222 K CA 1.014 57.321 56.287 0.034 0.000 1.012 222 K CB 0.277 32.792 32.500 0.025 0.000 0.903 222 K HN 0.371 8.650 8.250 0.049 0.000 0.485 223 N N 1.358 120.049 118.700 -0.016 0.000 2.678 223 N HA -0.351 4.352 4.740 -0.062 0.000 0.250 223 N C -1.539 173.858 175.510 -0.187 0.000 1.136 223 N CA 2.026 55.027 53.050 -0.082 0.000 0.757 223 N CB -0.610 37.820 38.487 -0.095 0.000 1.135 223 N HN 0.760 9.039 8.380 0.009 0.106 0.565 224 K N -1.750 118.591 120.400 -0.099 0.000 2.762 224 K HA 0.525 4.533 4.320 -0.520 0.000 0.180 224 K C -2.468 174.201 176.600 0.115 0.000 1.067 224 K CA -3.518 52.706 56.287 -0.104 0.000 0.973 224 K CB -0.035 32.512 32.500 0.078 0.000 1.290 224 K HN -0.772 7.417 8.250 -0.007 0.057 0.604 225 P HA -0.028 4.477 4.420 0.142 0.000 0.274 225 P C -0.066 177.321 177.300 0.146 0.000 1.246 225 P CA -0.490 62.700 63.100 0.149 0.000 0.795 225 P CB 1.022 32.788 31.700 0.109 0.000 1.006 226 G N -1.547 107.316 108.800 0.105 0.000 2.414 226 G HA2 0.099 3.914 3.960 -0.242 0.000 0.236 226 G HA3 0.099 4.080 3.960 -0.050 -0.051 0.236 226 G C -1.325 173.384 174.900 -0.317 0.000 1.293 226 G CA -0.128 44.892 45.100 -0.133 0.000 0.869 226 G HN -0.166 8.300 8.290 0.182 -0.066 0.556 227 V N 3.589 123.002 119.914 -0.834 0.000 2.483 227 V HA 0.409 4.427 4.120 -0.425 -0.153 0.295 227 V C -1.028 174.511 176.094 -0.926 0.000 1.035 227 V CA -1.108 60.656 62.300 -0.895 0.000 0.896 227 V CB 1.956 32.766 31.823 -1.690 0.000 0.986 227 V HN 0.552 8.193 8.190 -0.914 0.000 0.447 228 Y N 4.912 125.081 120.300 -0.219 0.000 2.457 228 Y HA 0.536 5.217 4.550 -0.042 -0.156 0.343 228 Y C -0.029 175.867 175.900 -0.007 0.000 0.994 228 Y CA -1.846 56.210 58.100 -0.073 0.000 1.031 228 Y CB 4.198 42.628 38.460 -0.051 0.000 1.246 228 Y HN 0.897 9.148 8.280 -0.048 0.000 0.449 229 T N 5.792 120.445 114.554 0.165 0.000 2.940 229 T HA -0.101 4.515 4.350 0.169 -0.164 0.309 229 T C -0.660 174.155 174.700 0.192 0.000 1.056 229 T CA 1.747 63.943 62.100 0.160 0.000 1.137 229 T CB 0.575 69.490 68.868 0.079 0.000 0.976 229 T HN 0.387 8.719 8.240 0.153 0.000 0.547 230 K N 6.952 127.495 120.400 0.238 0.000 2.244 230 K HA 0.237 4.642 4.320 0.141 0.000 0.263 230 K C 0.954 177.715 176.600 0.270 0.000 1.103 230 K CA -1.285 55.117 56.287 0.191 0.000 0.966 230 K CB 0.197 32.770 32.500 0.122 0.000 1.429 230 K HN -0.032 8.298 8.250 0.284 0.090 0.434 231 V N 6.059 126.108 119.914 0.225 0.000 2.594 231 V HA -0.482 3.906 4.120 0.447 0.000 0.253 231 V C 1.091 177.313 176.094 0.214 0.000 1.069 231 V CA 3.603 66.066 62.300 0.271 0.000 1.082 231 V CB -0.033 31.877 31.823 0.144 0.000 0.680 231 V HN 0.261 8.545 8.190 0.156 0.000 0.469 232 c N -4.325 114.334 118.600 0.098 0.000 2.466 232 c HA -0.108 4.488 4.570 0.044 0.000 0.283 232 c C 1.141 175.216 174.090 -0.026 0.000 1.472 232 c CA 0.206 56.556 56.329 0.035 0.000 1.765 232 c CB -2.466 40.050 42.510 0.010 0.000 1.724 232 c HN 0.592 8.849 8.230 0.084 0.023 0.560 233 N N 0.925 119.556 118.700 -0.116 0.000 2.463 233 N HA -0.053 4.540 4.740 -0.245 0.000 0.181 233 N C 0.213 175.414 175.510 -0.516 0.000 1.078 233 N CA 1.225 54.045 53.050 -0.383 0.000 0.902 233 N CB 0.079 38.171 38.487 -0.658 0.000 0.970 233 N HN -0.298 8.000 8.380 -0.029 0.065 0.451 234 Y N -4.294 116.061 120.300 0.092 0.000 2.557 234 Y HA 0.130 4.816 4.550 0.227 0.000 0.247 234 Y C 0.295 176.309 175.900 0.189 0.000 1.164 234 Y CA -0.927 57.286 58.100 0.188 0.000 1.218 234 Y CB 0.465 39.056 38.460 0.219 0.000 1.210 234 Y HN -0.291 7.880 8.280 0.104 0.171 0.529 235 V N 1.048 121.069 119.914 0.178 0.000 2.343 235 V HA -0.578 3.607 4.120 0.110 0.000 0.247 235 V C 1.399 177.543 176.094 0.083 0.000 1.051 235 V CA 5.106 67.471 62.300 0.107 0.000 1.036 235 V CB -0.125 31.728 31.823 0.049 0.000 0.654 235 V HN -0.259 7.992 8.190 0.102 0.000 0.451 236 N N -0.719 118.039 118.700 0.096 0.000 2.069 236 N HA -0.330 4.426 4.740 0.026 0.000 0.191 236 N C 1.381 176.953 175.510 0.103 0.000 1.031 236 N CA 3.351 56.448 53.050 0.078 0.000 0.852 236 N CB -0.721 37.815 38.487 0.081 0.000 1.018 236 N HN 0.030 8.465 8.380 0.092 0.000 0.423 237 W N 0.268 121.613 121.300 0.076 0.000 2.358 237 W HA -0.184 4.511 4.660 0.058 0.000 0.303 237 W C 1.504 178.037 176.519 0.023 0.000 1.208 237 W CA 2.997 60.400 57.345 0.096 0.000 1.274 237 W CB -0.038 29.580 29.460 0.263 0.000 1.138 237 W HN -0.330 8.098 8.180 0.412 0.000 0.515 238 I N -1.447 118.999 120.570 -0.206 0.000 2.142 238 I HA -0.706 2.905 4.170 -0.931 0.000 0.240 238 I C 2.038 177.859 176.117 -0.494 0.000 1.078 238 I CA 4.034 65.045 61.300 -0.482 0.000 1.343 238 I CB -0.352 37.548 38.000 -0.166 0.000 1.046 238 I HN -0.007 8.299 8.210 0.160 0.000 0.405 239 Q N -1.284 118.348 119.800 -0.281 0.000 2.226 239 Q HA -0.358 3.813 4.340 -0.282 0.000 0.204 239 Q C 2.615 178.456 176.000 -0.264 0.000 0.975 239 Q CA 2.938 58.594 55.803 -0.245 0.000 0.866 239 Q CB -0.519 28.142 28.738 -0.129 0.000 0.915 239 Q HN -0.277 7.895 8.270 -0.163 0.000 0.440 240 Q N -0.563 119.077 119.800 -0.267 0.000 2.049 240 Q HA -0.286 3.962 4.340 -0.154 0.000 0.198 240 Q C 2.532 178.344 176.000 -0.313 0.000 0.971 240 Q CA 3.382 59.049 55.803 -0.227 0.000 0.833 240 Q CB 0.063 28.705 28.738 -0.160 0.000 0.896 240 Q HN -0.315 7.769 8.270 -0.264 0.028 0.434 241 T N 2.780 117.013 114.554 -0.535 0.000 2.746 241 T HA -0.355 3.782 4.350 -0.354 0.000 0.267 241 T C 1.889 176.241 174.700 -0.580 0.000 1.039 241 T CA 4.871 66.626 62.100 -0.576 0.000 1.142 241 T CB -0.403 67.906 68.868 -0.931 0.000 0.866 241 T HN -0.386 7.440 8.240 -0.690 0.000 0.444 242 I N 0.025 120.116 120.570 -0.798 0.000 2.127 242 I HA -0.500 3.031 4.170 -1.065 0.000 0.241 242 I C 2.073 178.055 176.117 -0.225 0.000 1.075 242 I CA 3.933 64.782 61.300 -0.752 0.000 1.334 242 I CB -0.390 37.135 38.000 -0.792 0.000 1.040 242 I HN -0.310 7.419 8.210 -0.802 0.000 0.405 243 A N -0.641 122.064 122.820 -0.192 0.000 2.019 243 A HA -0.245 4.047 4.320 -0.046 0.000 0.219 243 A C 1.031 178.594 177.584 -0.035 0.000 1.164 243 A CA 2.674 54.661 52.037 -0.082 0.000 0.644 243 A CB -0.538 18.411 19.000 -0.085 0.000 0.805 243 A HN -0.306 7.688 8.150 -0.259 0.000 0.449 244 A N -5.212 117.579 122.820 -0.048 0.000 2.195 244 A HA 0.114 4.435 4.320 0.003 0.000 0.210 244 A C -0.400 177.216 177.584 0.054 0.000 1.165 244 A CA 0.445 52.480 52.037 -0.004 0.000 0.806 244 A CB 0.819 19.803 19.000 -0.026 0.000 0.847 244 A HN -0.314 7.643 8.150 -0.113 0.126 0.482 245 N N 0.000 118.773 118.700 0.122 0.000 1.763 245 N HA 0.000 4.827 4.740 0.145 0.000 0.220 245 N CA 0.000 53.182 53.050 0.221 0.000 0.885 245 N CB 0.000 38.696 38.487 0.349 0.000 1.341 245 N HN 0.000 8.443 8.380 0.105 0.000 0.667