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 1s83_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcAAN SIPYQVSLNX XSGSHFcGGS LINSQWVVSA AHcYKSRIQV DATA SEQUENCE RLXGEHNIDV LEGNEQFINA AKIITHPNFN GNTLDNDIML IKLSSPATLN DATA SEQUENCE SRVATVSLPR XScAAXAGTE cLISGWGNTK SSGSSYPSLL QcLKAPVLSD DATA SEQUENCE SScKSSYPGQ ITGNMIcVFL EGKDScQGDS GGPVVcNGQX XXXLQGIVSW DATA SEQUENCE GYXGcQKNKP GVYTKVcNYV NWIQQTIAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.173 4.170 0.006 0.000 0.288 16 I C 0.000 176.111 176.117 -0.009 0.000 1.063 16 I CA 0.000 61.281 61.300 -0.031 0.000 1.566 16 I CB 0.000 37.942 38.000 -0.096 0.000 1.214 17 V N 5.892 125.820 119.914 0.022 0.000 2.481 17 V HA 0.176 4.444 4.120 0.019 -0.137 0.286 17 V C 0.717 176.823 176.094 0.021 0.000 1.042 17 V CA -1.488 60.827 62.300 0.026 0.000 0.928 17 V CB 1.020 32.868 31.823 0.042 0.000 0.986 17 V HN 0.810 9.025 8.190 0.041 0.000 0.462 18 G N 6.740 115.545 108.800 0.009 0.000 2.147 18 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.244 18 G HA3 -0.381 3.765 3.960 -0.018 -0.197 0.244 18 G C -0.904 174.005 174.900 0.015 0.000 1.005 18 G CA 0.401 45.500 45.100 -0.001 0.000 0.713 18 G HN 0.862 9.158 8.290 0.010 0.000 0.515 19 G N -0.974 107.832 108.800 0.010 0.000 2.606 19 G HA2 0.477 4.475 3.960 0.068 0.000 0.262 19 G HA3 0.477 4.449 3.960 -0.110 -0.078 0.262 19 G C -1.879 173.069 174.900 0.080 0.000 1.394 19 G CA -1.498 43.602 45.100 0.000 0.000 1.044 19 G HN -0.500 7.751 8.290 -0.007 0.035 0.553 20 Y N -6.753 113.529 120.300 -0.029 0.000 2.588 20 Y HA 0.350 4.887 4.550 -0.021 0.000 0.343 20 Y C -1.939 173.943 175.900 -0.030 0.000 1.065 20 Y CA -2.453 55.632 58.100 -0.025 0.000 1.038 20 Y CB 1.448 39.896 38.460 -0.020 0.000 1.297 20 Y HN 0.419 8.375 8.280 -0.539 0.000 0.467 21 T N 3.958 118.569 114.554 0.096 0.000 2.799 21 T HA 0.050 4.468 4.350 -0.093 -0.124 0.296 21 T C 0.115 174.878 174.700 0.104 0.000 0.947 21 T CA 0.852 62.970 62.100 0.029 0.000 1.141 21 T CB -0.357 68.559 68.868 0.080 0.000 0.891 21 T HN 0.023 8.373 8.240 0.185 0.000 0.533 22 c N 7.689 126.267 118.600 -0.036 0.000 2.703 22 c HA -0.203 4.423 4.570 0.093 0.000 0.411 22 c C -0.063 174.059 174.090 0.053 0.000 1.290 22 c CA -0.106 56.230 56.329 0.011 0.000 2.054 22 c CB -0.117 42.325 42.510 -0.112 0.000 2.732 22 c HN 0.188 8.343 8.230 -0.126 0.000 0.650 23 A N 2.577 125.400 122.820 0.006 0.000 2.498 23 A HA -0.111 4.167 4.320 -0.071 0.000 0.239 23 A C -0.243 177.137 177.584 -0.341 0.000 1.068 23 A CA 0.227 52.202 52.037 -0.102 0.000 0.766 23 A CB 0.671 19.640 19.000 -0.051 0.000 1.003 23 A HN 0.393 8.579 8.150 0.060 0.000 0.497 24 A N 3.422 125.907 122.820 -0.559 0.000 2.548 24 A HA -0.277 2.895 4.320 -1.913 0.000 0.247 24 A C -0.525 176.837 177.584 -0.370 0.000 1.067 24 A CA 0.898 52.410 52.037 -0.875 0.000 0.757 24 A CB -0.156 18.548 19.000 -0.493 0.000 0.996 24 A HN 0.421 8.354 8.150 -0.363 0.000 0.504 25 N N -0.660 117.875 118.700 -0.275 0.000 2.753 25 N HA -0.440 4.254 4.740 -0.075 0.000 0.251 25 N C 0.648 176.086 175.510 -0.121 0.000 1.097 25 N CA 1.763 54.742 53.050 -0.120 0.000 0.786 25 N CB -0.988 37.461 38.487 -0.063 0.000 1.137 25 N HN 0.552 8.735 8.380 -0.328 0.000 0.566 26 S N -1.631 113.979 115.700 -0.149 0.000 2.561 26 S HA -0.137 4.289 4.470 -0.073 0.000 0.225 26 S C -0.284 174.235 174.600 -0.135 0.000 0.977 26 S CA 2.239 60.376 58.200 -0.106 0.000 0.926 26 S CB 0.529 63.682 63.200 -0.078 0.000 0.769 26 S HN -0.114 8.030 8.310 -0.199 0.047 0.533 27 I N 1.645 122.071 120.570 -0.240 0.000 2.779 27 I HA 0.431 4.278 4.170 -0.539 0.000 0.294 27 I C -1.358 174.414 176.117 -0.575 0.000 1.241 27 I CA -3.967 57.027 61.300 -0.510 0.000 1.069 27 I CB -0.638 37.051 38.000 -0.520 0.000 1.772 27 I HN -0.140 7.868 8.210 -0.213 0.075 0.582 28 P HA 0.101 4.550 4.420 -0.100 -0.089 0.233 28 P C 0.407 177.669 177.300 -0.064 0.000 1.167 28 P CA 1.548 64.570 63.100 -0.130 0.000 0.770 28 P CB -0.228 31.465 31.700 -0.011 0.000 0.837 29 Y N -5.438 114.885 120.300 0.039 0.000 2.511 29 Y HA 0.429 5.146 4.550 0.056 -0.134 0.279 29 Y C -0.439 175.498 175.900 0.061 0.000 1.157 29 Y CA -3.003 55.126 58.100 0.049 0.000 1.300 29 Y CB -1.302 37.180 38.460 0.037 0.000 1.052 29 Y HN -0.374 7.379 8.280 -0.799 0.048 0.529 30 Q N 2.718 122.379 119.800 -0.233 0.000 2.304 30 Q HA 0.254 4.785 4.340 0.082 -0.141 0.260 30 Q C -0.189 175.894 176.000 0.138 0.000 0.965 30 Q CA -0.187 55.592 55.803 -0.040 0.000 0.898 30 Q CB 0.866 29.470 28.738 -0.224 0.000 1.196 30 Q HN -0.481 7.290 8.270 -0.562 0.162 0.402 31 V N -0.202 119.833 119.914 0.200 0.000 2.919 31 V HA 0.747 5.108 4.120 0.219 -0.110 0.316 31 V C -1.591 174.668 176.094 0.275 0.000 1.077 31 V CA -3.528 58.894 62.300 0.204 0.000 0.977 31 V CB 3.360 35.245 31.823 0.103 0.000 1.039 31 V HN 0.398 8.699 8.190 0.184 0.000 0.441 32 S N 1.304 117.061 115.700 0.094 0.000 2.437 32 S HA 0.364 5.043 4.470 0.161 -0.112 0.305 32 S C -0.763 173.712 174.600 -0.209 0.000 1.109 32 S CA -1.688 56.484 58.200 -0.047 0.000 1.099 32 S CB 1.495 64.451 63.200 -0.407 0.000 1.004 32 S HN 0.237 8.559 8.310 0.021 0.000 0.475 33 L N 6.697 127.670 121.223 -0.417 0.000 2.275 33 L HA 0.522 4.796 4.340 -0.337 -0.136 0.288 33 L C -1.409 175.034 176.870 -0.712 0.000 1.046 33 L CA -0.854 53.625 54.840 -0.601 0.000 0.805 33 L CB 0.576 42.105 42.059 -0.884 0.000 1.193 33 L HN 0.860 8.794 8.230 -0.492 0.000 0.426 38 G N 0.743 109.532 108.800 -0.018 0.000 2.339 38 G HA2 -0.134 3.807 3.960 -0.033 0.000 0.209 38 G HA3 -0.134 3.811 3.960 -0.026 0.000 0.209 38 G C -1.149 173.745 174.900 -0.009 0.000 1.015 38 G CA -0.018 45.068 45.100 -0.024 0.000 0.635 38 G HN 0.248 8.858 8.290 -0.021 -0.333 0.499 39 S N -0.459 115.258 115.700 0.029 0.000 2.607 39 S HA 0.169 4.652 4.470 0.021 0.000 0.273 39 S C -1.718 172.946 174.600 0.106 0.000 1.148 39 S CA -1.822 56.413 58.200 0.058 0.000 0.833 39 S CB 2.538 65.784 63.200 0.077 0.000 1.130 39 S HN -0.873 7.447 8.310 0.057 0.024 0.470 40 H N 2.725 121.793 119.070 -0.002 0.000 3.034 40 H HA -0.280 4.323 4.556 -0.182 -0.156 0.324 40 H C -0.171 175.252 175.328 0.157 0.000 1.015 40 H CA 1.408 57.425 56.048 -0.053 0.000 1.429 40 H CB 0.034 29.709 29.762 -0.145 0.000 1.429 40 H HN 0.539 8.913 8.280 0.157 0.000 0.585 41 F N 0.594 120.174 119.950 -0.618 0.000 2.856 41 F HA 0.388 4.885 4.527 -0.049 0.000 0.338 41 F C -1.901 173.668 175.800 -0.384 0.000 1.005 41 F CA -0.430 57.381 58.000 -0.316 0.000 1.155 41 F CB 1.895 40.810 39.000 -0.143 0.000 1.010 41 F HN 0.082 7.679 8.300 -1.171 0.000 0.587 42 c N -1.531 116.341 118.600 -1.213 0.000 3.312 42 c HA 0.302 4.882 4.570 -0.235 -0.150 0.332 42 c C -1.601 172.242 174.090 -0.412 0.000 1.340 42 c CA -0.059 55.915 56.329 -0.591 0.000 1.265 42 c CB 4.178 46.412 42.510 -0.459 0.000 1.563 42 c HN -0.714 6.463 8.230 -1.756 0.000 0.471 43 G N -0.842 107.921 108.800 -0.062 0.000 2.531 43 G HA2 0.739 4.975 3.960 0.180 0.000 0.313 43 G HA3 0.739 4.783 3.960 0.141 0.000 0.313 43 G C -2.358 172.544 174.900 0.003 0.000 1.238 43 G CA -1.386 43.761 45.100 0.078 0.000 0.994 43 G HN 0.710 8.878 8.290 -0.032 0.103 0.493 44 G N -4.076 104.766 108.800 0.071 0.000 2.550 44 G HA2 0.467 4.758 3.960 0.068 0.000 0.293 44 G HA3 0.467 4.456 3.960 0.048 0.000 0.293 44 G C -2.904 172.077 174.900 0.134 0.000 1.402 44 G CA 0.283 45.428 45.100 0.075 0.000 0.784 44 G HN -0.577 7.790 8.290 0.129 0.000 0.482 45 S N -0.645 115.144 115.700 0.147 0.000 2.561 45 S HA 0.809 5.658 4.470 0.282 -0.209 0.303 45 S C -1.312 173.393 174.600 0.175 0.000 1.110 45 S CA -1.170 57.152 58.200 0.204 0.000 1.034 45 S CB 3.261 66.564 63.200 0.172 0.000 1.010 45 S HN 0.404 8.787 8.310 0.122 0.000 0.482 46 L N 6.702 128.043 121.223 0.198 0.000 2.369 46 L HA 0.127 4.683 4.340 0.153 -0.124 0.279 46 L C -0.762 176.194 176.870 0.143 0.000 1.108 46 L CA 0.160 55.098 54.840 0.164 0.000 0.852 46 L CB 0.691 42.845 42.059 0.158 0.000 1.169 46 L HN 0.503 8.776 8.230 0.253 0.108 0.452 47 I N 0.261 120.911 120.570 0.132 0.000 4.154 47 I HA 0.542 4.892 4.170 0.062 -0.142 0.334 47 I C -1.254 174.921 176.117 0.097 0.000 1.371 47 I CA -1.079 60.275 61.300 0.090 0.000 1.110 47 I CB 1.471 39.511 38.000 0.066 0.000 1.085 47 I HN 0.267 8.575 8.210 0.162 0.000 0.398 48 N N -0.041 118.747 118.700 0.146 0.000 2.710 48 N HA 0.125 4.930 4.740 0.109 0.000 0.257 48 N C -0.326 175.277 175.510 0.155 0.000 1.327 48 N CA -0.189 52.955 53.050 0.157 0.000 0.861 48 N CB 2.987 41.612 38.487 0.230 0.000 1.532 48 N HN -0.813 7.670 8.380 0.171 0.000 0.499 49 S N 1.050 116.823 115.700 0.121 0.000 2.420 49 S HA -0.388 4.128 4.470 0.077 0.000 0.237 49 S C 0.695 175.334 174.600 0.066 0.000 1.023 49 S CA 2.748 61.000 58.200 0.086 0.000 0.991 49 S CB 0.096 63.333 63.200 0.063 0.000 0.792 49 S HN 0.568 8.945 8.310 0.110 0.000 0.488 50 Q N -2.292 117.565 119.800 0.095 0.000 2.247 50 Q HA 0.250 4.520 4.340 -0.117 0.000 0.211 50 Q C -1.230 174.608 176.000 -0.269 0.000 0.861 50 Q CA -0.309 55.440 55.803 -0.090 0.000 0.949 50 Q CB 1.808 30.463 28.738 -0.139 0.000 1.115 50 Q HN -0.190 8.522 8.270 0.206 -0.318 0.507 51 W N -1.738 119.567 121.300 0.008 0.000 2.998 51 W HA 0.659 5.540 4.660 0.004 -0.219 0.335 51 W C -1.506 175.025 176.519 0.020 0.000 1.110 51 W CA -0.919 56.429 57.345 0.004 0.000 1.230 51 W CB 3.635 33.086 29.460 -0.016 0.000 1.405 51 W HN -0.342 7.889 8.180 0.285 0.121 0.493 52 V N 1.798 121.869 119.914 0.261 0.000 2.513 52 V HA 0.730 5.143 4.120 0.172 -0.190 0.299 52 V C -1.832 174.384 176.094 0.203 0.000 1.035 52 V CA -1.867 60.543 62.300 0.184 0.000 0.889 52 V CB 3.525 35.413 31.823 0.109 0.000 0.988 52 V HN 0.936 9.273 8.190 0.244 0.000 0.440 53 V N 6.127 126.137 119.914 0.160 0.000 2.483 53 V HA 0.880 5.283 4.120 0.176 -0.177 0.295 53 V C -2.026 174.131 176.094 0.106 0.000 1.035 53 V CA -2.578 59.810 62.300 0.146 0.000 0.896 53 V CB 2.294 34.198 31.823 0.135 0.000 0.986 53 V HN 0.636 8.913 8.190 0.145 0.000 0.447 54 S N 6.633 122.384 115.700 0.084 0.000 2.880 54 S HA 0.522 5.229 4.470 0.033 -0.218 0.308 54 S C -2.061 172.532 174.600 -0.013 0.000 1.195 54 S CA -2.035 56.182 58.200 0.029 0.000 0.866 54 S CB 2.805 66.008 63.200 0.005 0.000 1.254 54 S HN 0.763 9.140 8.310 0.110 0.000 0.571 55 A N -0.427 122.340 122.820 -0.088 0.000 2.301 55 A HA 0.417 4.835 4.320 -0.123 -0.172 0.312 55 A C 0.471 177.903 177.584 -0.254 0.000 1.182 55 A CA -1.630 50.306 52.037 -0.168 0.000 0.826 55 A CB 1.393 20.256 19.000 -0.228 0.000 1.134 55 A HN 0.258 8.344 8.150 -0.107 0.000 0.501 56 A N 5.614 128.199 122.820 -0.392 0.000 2.019 56 A HA -0.237 3.900 4.320 -0.305 0.000 0.219 56 A C 1.186 178.448 177.584 -0.536 0.000 1.164 56 A CA 2.651 54.318 52.037 -0.617 0.000 0.644 56 A CB -0.291 17.909 19.000 -1.333 0.000 0.805 56 A HN 0.593 8.545 8.150 -0.393 -0.038 0.449 57 H N -5.003 113.853 119.070 -0.356 0.000 2.546 57 H HA -0.039 4.567 4.556 0.085 0.000 0.277 57 H C 0.611 175.988 175.328 0.082 0.000 1.004 57 H CA 2.092 58.140 56.048 -0.000 0.000 1.231 57 H CB -0.791 29.066 29.762 0.159 0.000 1.382 57 H HN 0.088 8.522 8.280 -0.280 -0.322 0.580 58 c N -1.104 117.312 118.600 -0.306 0.000 2.562 58 c HA -0.045 4.546 4.570 0.033 0.000 0.266 58 c C -0.235 173.912 174.090 0.095 0.000 1.382 58 c CA 0.386 56.682 56.329 -0.054 0.000 1.742 58 c CB -2.291 40.173 42.510 -0.077 0.000 1.812 58 c HN -0.564 7.245 8.230 -0.422 0.168 0.559 59 Y N 3.546 123.829 120.300 -0.029 0.000 2.895 59 Y HA -0.323 4.238 4.550 0.019 0.000 0.334 59 Y C -0.845 175.028 175.900 -0.045 0.000 1.261 59 Y CA 1.879 59.974 58.100 -0.009 0.000 1.560 59 Y CB 0.342 38.792 38.460 -0.016 0.000 1.253 59 Y HN -0.433 7.754 8.280 0.126 0.168 0.582 60 K N 7.498 127.332 120.400 -0.943 0.000 2.477 60 K HA 0.177 4.090 4.320 -0.678 0.000 0.255 60 K C -1.375 174.564 176.600 -1.103 0.000 0.952 60 K CA -1.324 54.439 56.287 -0.873 0.000 0.826 60 K CB 2.034 34.152 32.500 -0.636 0.000 1.331 60 K HN -0.016 7.652 8.250 -0.970 0.000 0.437 61 S N -1.251 114.073 115.700 -0.627 0.000 2.489 61 S HA -0.236 4.068 4.470 -0.276 0.000 0.228 61 S C -0.256 174.238 174.600 -0.176 0.000 0.995 61 S CA 1.247 59.277 58.200 -0.284 0.000 0.934 61 S CB 0.469 63.656 63.200 -0.022 0.000 0.771 61 S HN 0.352 8.413 8.310 -0.416 0.000 0.522 62 R N 0.214 120.597 120.500 -0.195 0.000 2.575 62 R HA 0.224 4.510 4.340 -0.089 0.000 0.293 62 R C -2.632 173.600 176.300 -0.114 0.000 0.983 62 R CA -0.600 55.427 56.100 -0.121 0.000 0.887 62 R CB 2.560 32.806 30.300 -0.091 0.000 1.184 62 R HN -0.306 7.772 8.270 -0.261 0.036 0.445 63 I N 1.174 121.710 120.570 -0.056 0.000 2.692 63 I HA 0.178 4.393 4.170 0.075 0.000 0.293 63 I C -2.430 173.676 176.117 -0.018 0.000 1.200 63 I CA -0.825 60.484 61.300 0.015 0.000 1.036 63 I CB 4.269 42.298 38.000 0.049 0.000 1.258 63 I HN 0.343 8.520 8.210 -0.055 0.000 0.421 64 Q N 5.799 125.581 119.800 -0.030 0.000 2.307 64 Q HA 0.382 4.685 4.340 -0.062 0.000 0.262 64 Q C -1.584 174.344 176.000 -0.119 0.000 0.961 64 Q CA -1.454 54.300 55.803 -0.082 0.000 0.882 64 Q CB 3.078 31.739 28.738 -0.129 0.000 1.264 64 Q HN 0.645 8.918 8.270 0.006 0.000 0.446 65 V N 7.946 127.805 119.914 -0.092 0.000 2.432 65 V HA 0.123 4.295 4.120 -0.115 -0.121 0.275 65 V C -1.095 174.949 176.094 -0.082 0.000 1.043 65 V CA 0.463 62.713 62.300 -0.084 0.000 0.925 65 V CB 0.507 32.309 31.823 -0.035 0.000 0.985 65 V HN 0.879 8.929 8.190 -0.062 0.103 0.466 66 R N 6.975 127.405 120.500 -0.118 0.000 2.320 66 R HA 0.510 5.072 4.340 0.112 -0.155 0.319 66 R C -0.985 175.353 176.300 0.064 0.000 0.969 66 R CA -1.250 54.815 56.100 -0.058 0.000 0.857 66 R CB 0.815 30.907 30.300 -0.346 0.000 1.160 66 R HN 0.836 9.022 8.270 -0.140 0.000 0.491 70 E N -0.380 119.950 120.200 0.216 0.000 2.343 70 E HA 0.027 4.495 4.350 0.197 0.000 0.269 70 E C -1.414 175.445 176.600 0.432 0.000 1.047 70 E CA 0.029 56.584 56.400 0.258 0.000 0.874 70 E CB 0.972 30.739 29.700 0.112 0.000 1.033 70 E HN -0.495 7.972 8.360 0.232 0.033 0.409 71 H N 4.113 123.329 119.070 0.243 0.000 2.249 71 H HA 0.080 4.845 4.556 0.348 0.000 0.261 71 H C -0.796 174.734 175.328 0.338 0.000 0.976 71 H CA 1.423 57.636 56.048 0.275 0.000 1.322 71 H CB 3.098 32.936 29.762 0.127 0.000 1.418 71 H HN -0.161 8.509 8.280 0.306 -0.206 0.561 72 N N 0.684 119.445 118.700 0.101 0.000 2.415 72 N HA 0.092 5.037 4.740 -0.036 -0.227 0.246 72 N C 1.793 177.282 175.510 -0.033 0.000 1.078 72 N CA -0.893 52.157 53.050 0.001 0.000 0.942 72 N CB -0.028 38.463 38.487 0.006 0.000 1.140 72 N HN -0.655 8.593 8.380 0.194 -0.752 0.501 73 I N 0.548 121.005 120.570 -0.188 0.000 3.291 73 I HA -0.087 4.230 4.170 -0.267 -0.307 0.279 73 I C -0.500 175.522 176.117 -0.158 0.000 1.294 73 I CA 1.430 62.528 61.300 -0.336 0.000 1.428 73 I CB -0.534 36.994 38.000 -0.786 0.000 1.070 73 I HN 0.268 8.368 8.210 -0.183 0.000 0.478 74 D N -1.968 118.383 120.400 -0.080 0.000 2.369 74 D HA 0.157 4.778 4.640 -0.031 0.000 0.211 74 D C -0.684 175.617 176.300 0.001 0.000 1.077 74 D CA 0.500 54.481 54.000 -0.031 0.000 0.842 74 D CB 1.928 42.716 40.800 -0.020 0.000 0.947 74 D HN -0.120 8.453 8.370 -0.073 -0.247 0.509 75 V N -0.226 119.695 119.914 0.011 0.000 2.686 75 V HA 0.075 4.210 4.120 0.024 0.000 0.306 75 V C -1.664 174.452 176.094 0.037 0.000 1.065 75 V CA -1.160 61.155 62.300 0.025 0.000 0.894 75 V CB 3.215 35.051 31.823 0.022 0.000 1.004 75 V HN -0.624 7.539 8.190 0.002 0.028 0.424 76 L N 7.858 129.097 121.223 0.028 0.000 2.433 76 L HA -0.093 4.449 4.340 0.009 -0.196 0.284 76 L C 0.226 177.092 176.870 -0.007 0.000 1.120 76 L CA 0.079 54.918 54.840 -0.001 0.000 0.879 76 L CB -0.680 41.358 42.059 -0.035 0.000 1.232 76 L HN 0.452 8.696 8.230 0.023 0.000 0.454 77 E N 6.489 126.693 120.200 0.007 0.000 2.472 77 E HA 0.061 4.422 4.350 0.019 0.000 0.196 77 E C 0.279 176.879 176.600 0.000 0.000 1.033 77 E CA 0.287 56.698 56.400 0.019 0.000 0.886 77 E CB 0.526 30.260 29.700 0.056 0.000 0.944 77 E HN 0.491 9.337 8.360 0.018 -0.475 0.492 78 G N -0.369 108.414 108.800 -0.028 0.000 2.541 78 G HA2 -0.257 3.667 3.960 -0.060 0.000 0.201 78 G HA3 -0.257 3.687 3.960 -0.026 0.000 0.201 78 G C -0.026 174.846 174.900 -0.047 0.000 1.026 78 G CA 0.272 45.347 45.100 -0.042 0.000 0.687 78 G HN 0.115 8.644 8.290 -0.046 -0.267 0.492 79 N N 0.580 119.268 118.700 -0.021 0.000 2.398 79 N HA 0.005 4.736 4.740 -0.015 0.000 0.188 79 N C -0.444 175.062 175.510 -0.007 0.000 1.122 79 N CA 0.186 53.232 53.050 -0.008 0.000 0.866 79 N CB 0.060 38.557 38.487 0.017 0.000 0.970 79 N HN 0.260 8.639 8.380 -0.002 0.000 0.462 80 E N -1.411 118.765 120.200 -0.038 0.000 2.398 80 E HA 0.165 4.768 4.350 0.070 -0.210 0.263 80 E C -0.269 176.282 176.600 -0.082 0.000 1.046 80 E CA 0.767 57.149 56.400 -0.030 0.000 0.908 80 E CB 0.206 29.836 29.700 -0.118 0.000 0.963 80 E HN -0.348 7.906 8.360 -0.068 0.065 0.431 81 Q N 2.572 122.397 119.800 0.042 0.000 2.310 81 Q HA 0.295 4.605 4.340 -0.050 0.000 0.270 81 Q C -1.751 174.414 176.000 0.275 0.000 1.025 81 Q CA -1.050 54.785 55.803 0.053 0.000 0.772 81 Q CB 3.048 31.818 28.738 0.053 0.000 1.253 81 Q HN 0.516 8.773 8.270 0.146 0.101 0.450 82 F N 3.813 123.751 119.950 -0.021 0.000 2.411 82 F HA 0.760 5.452 4.527 -0.031 -0.184 0.352 82 F C 0.278 176.061 175.800 -0.027 0.000 1.123 82 F CA -3.290 54.693 58.000 -0.027 0.000 1.044 82 F CB 0.857 39.839 39.000 -0.029 0.000 1.135 82 F HN 0.286 8.636 8.300 0.083 0.000 0.461 83 I N 3.983 124.633 120.570 0.133 0.000 2.534 83 I HA 0.123 4.326 4.170 0.054 0.000 0.288 83 I C -1.608 174.511 176.117 0.004 0.000 1.077 83 I CA -1.082 60.249 61.300 0.051 0.000 1.051 83 I CB 3.554 41.569 38.000 0.026 0.000 1.234 83 I HN 1.023 9.294 8.210 0.102 0.000 0.425 84 N N 6.164 124.858 118.700 -0.008 0.000 2.508 84 N HA 0.020 4.843 4.740 -0.035 -0.104 0.264 84 N C -0.505 174.973 175.510 -0.053 0.000 1.216 84 N CA -0.183 52.848 53.050 -0.031 0.000 0.943 84 N CB 0.881 39.353 38.487 -0.026 0.000 1.113 84 N HN 0.478 8.859 8.380 0.002 0.000 0.447 85 A N 1.318 124.104 122.820 -0.057 0.000 2.454 85 A HA 0.085 4.475 4.320 -0.103 -0.131 0.260 85 A C -0.746 176.791 177.584 -0.078 0.000 1.106 85 A CA 0.488 52.480 52.037 -0.075 0.000 0.780 85 A CB 0.305 19.274 19.000 -0.053 0.000 1.044 85 A HN 0.276 8.397 8.150 -0.048 0.000 0.498 86 A N 4.390 127.140 122.820 -0.116 0.000 1.997 86 A HA 0.090 4.369 4.320 -0.069 0.000 0.212 86 A C -0.130 177.404 177.584 -0.083 0.000 1.178 86 A CA 1.075 53.051 52.037 -0.101 0.000 0.698 86 A CB 1.473 20.394 19.000 -0.132 0.000 0.842 86 A HN 0.891 8.832 8.150 -0.166 0.109 0.458 87 K N -2.292 118.042 120.400 -0.109 0.000 2.464 87 K HA 0.272 4.600 4.320 0.013 0.000 0.253 87 K C -2.287 174.324 176.600 0.019 0.000 0.933 87 K CA -0.893 55.373 56.287 -0.034 0.000 0.801 87 K CB 3.341 35.818 32.500 -0.039 0.000 1.271 87 K HN -0.744 7.399 8.250 -0.178 0.000 0.430 88 I N 2.195 122.835 120.570 0.117 0.000 2.497 88 I HA 0.522 4.961 4.170 0.179 -0.162 0.284 88 I C -0.993 175.278 176.117 0.257 0.000 1.060 88 I CA -0.742 60.674 61.300 0.194 0.000 1.071 88 I CB 2.092 40.210 38.000 0.197 0.000 1.216 88 I HN 0.218 8.505 8.210 0.128 0.000 0.442 89 I N 9.487 130.222 120.570 0.274 0.000 2.420 89 I HA 0.324 4.621 4.170 0.213 0.000 0.282 89 I C -0.861 175.443 176.117 0.311 0.000 1.019 89 I CA -1.223 60.238 61.300 0.269 0.000 1.130 89 I CB 1.969 40.132 38.000 0.270 0.000 1.262 89 I HN 1.037 9.422 8.210 0.292 0.000 0.454 90 T N 6.298 120.974 114.554 0.203 0.000 2.904 90 T HA -0.009 4.426 4.350 0.142 0.000 0.290 90 T C -0.244 174.553 174.700 0.161 0.000 1.018 90 T CA -1.025 61.155 62.100 0.133 0.000 1.075 90 T CB 1.074 69.931 68.868 -0.019 0.000 0.986 90 T HN 0.343 8.660 8.240 0.128 0.000 0.523 91 H N 4.620 123.628 119.070 -0.104 0.000 3.034 91 H HA -0.074 4.155 4.556 -0.544 0.000 0.324 91 H C 0.681 175.954 175.328 -0.092 0.000 1.015 91 H CA 0.991 56.809 56.048 -0.383 0.000 1.429 91 H CB 1.283 30.640 29.762 -0.675 0.000 1.429 91 H HN -0.013 8.257 8.280 -0.017 0.000 0.585 92 P HA -0.084 4.357 4.420 0.035 0.000 0.222 92 P C -0.533 176.834 177.300 0.112 0.000 1.147 92 P CA 1.626 64.715 63.100 -0.018 0.000 0.790 92 P CB 0.346 32.014 31.700 -0.053 0.000 0.780 93 N N -2.980 115.915 118.700 0.326 0.000 2.238 93 N HA 0.051 4.862 4.740 0.118 0.000 0.222 93 N C -1.090 174.528 175.510 0.179 0.000 1.133 93 N CA -0.859 52.331 53.050 0.233 0.000 0.854 93 N CB 0.525 39.131 38.487 0.200 0.000 1.041 93 N HN -0.368 8.425 8.380 0.749 0.037 0.510 94 F N 4.501 124.483 119.950 0.053 0.000 2.623 94 F HA -0.212 4.560 4.527 -0.082 -0.294 0.383 94 F C -0.415 175.364 175.800 -0.035 0.000 1.077 94 F CA 1.428 59.410 58.000 -0.029 0.000 1.268 94 F CB 0.339 39.329 39.000 -0.016 0.000 1.053 94 F HN -0.406 7.956 8.300 0.385 0.169 0.571 95 N N 7.786 126.061 118.700 -0.708 0.000 2.443 95 N HA 0.146 4.539 4.740 -0.578 0.000 0.269 95 N C -0.144 174.711 175.510 -1.090 0.000 0.985 95 N CA -0.881 51.747 53.050 -0.704 0.000 0.921 95 N CB 1.974 40.256 38.487 -0.342 0.000 1.195 95 N HN -0.041 8.042 8.380 -0.496 0.000 0.492 96 G N 4.799 112.983 108.800 -1.027 0.000 2.679 96 G HA2 -0.196 3.246 3.960 -0.863 0.000 0.212 96 G HA3 -0.196 3.493 3.960 -0.450 0.000 0.212 96 G C 0.297 174.974 174.900 -0.372 0.000 1.137 96 G CA 1.086 45.763 45.100 -0.705 0.000 0.787 96 G HN 0.564 8.380 8.290 -0.790 0.000 0.534 97 N N 1.324 119.815 118.700 -0.348 0.000 2.240 97 N HA -0.020 4.581 4.740 -0.232 0.000 0.187 97 N C 1.754 177.064 175.510 -0.334 0.000 1.042 97 N CA 1.707 54.595 53.050 -0.271 0.000 0.861 97 N CB 0.524 38.887 38.487 -0.207 0.000 1.026 97 N HN -0.095 8.274 8.380 -0.385 -0.220 0.441 98 T N -2.098 112.257 114.554 -0.332 0.000 3.088 98 T HA -0.123 3.990 4.350 -0.395 0.000 0.259 98 T C 0.708 175.138 174.700 -0.450 0.000 1.122 98 T CA 0.727 62.613 62.100 -0.357 0.000 1.095 98 T CB 1.170 69.901 68.868 -0.227 0.000 0.930 98 T HN -0.315 8.053 8.240 -0.306 -0.312 0.508 99 L N -3.652 117.337 121.223 -0.390 0.000 4.429 99 L HA -0.504 3.906 4.340 -0.039 -0.094 0.422 99 L C -1.619 175.252 176.870 0.001 0.000 1.149 99 L CA 0.858 55.582 54.840 -0.193 0.000 0.972 99 L CB -2.630 39.222 42.059 -0.345 0.000 2.059 99 L HN -0.293 7.645 8.230 -0.410 0.046 0.870 100 D N -1.146 119.215 120.400 -0.064 0.000 2.443 100 D HA -0.204 4.483 4.640 0.078 0.000 0.239 100 D C 0.337 176.679 176.300 0.070 0.000 1.136 100 D CA 1.415 55.427 54.000 0.019 0.000 0.879 100 D CB 1.021 41.803 40.800 -0.030 0.000 1.195 100 D HN -0.720 7.484 8.370 -0.166 0.067 0.443 101 N N -0.089 118.637 118.700 0.043 0.000 2.738 101 N HA -0.511 4.083 4.740 -0.243 0.000 0.249 101 N C -1.417 174.064 175.510 -0.047 0.000 1.047 101 N CA 1.297 54.256 53.050 -0.151 0.000 0.707 101 N CB -1.387 36.858 38.487 -0.404 0.000 0.937 101 N HN 0.502 8.935 8.380 0.088 0.000 0.545 102 D N -0.732 119.687 120.400 0.032 0.000 2.551 102 D HA 0.060 4.623 4.640 -0.128 0.000 0.223 102 D C -2.111 174.068 176.300 -0.201 0.000 1.144 102 D CA -0.212 53.783 54.000 -0.007 0.000 1.025 102 D CB -0.632 40.298 40.800 0.218 0.000 1.085 102 D HN -0.217 8.192 8.370 0.066 0.000 0.506 103 I N 2.302 122.682 120.570 -0.317 0.000 2.775 103 I HA 0.605 4.874 4.170 -0.157 -0.192 0.295 103 I C -3.086 172.969 176.117 -0.104 0.000 1.287 103 I CA -1.365 59.788 61.300 -0.246 0.000 1.029 103 I CB 4.073 41.806 38.000 -0.444 0.000 1.282 103 I HN -0.034 7.934 8.210 -0.349 0.033 0.426 104 M N 6.465 126.113 119.600 0.080 0.000 2.421 104 M HA 0.665 5.496 4.480 0.319 -0.159 0.287 104 M C -2.808 173.666 176.300 0.291 0.000 1.183 104 M CA -0.832 54.595 55.300 0.211 0.000 0.916 104 M CB 4.827 37.482 32.600 0.092 0.000 1.701 104 M HN 0.442 8.685 8.290 0.065 0.086 0.470 105 L N 3.206 124.640 121.223 0.352 0.000 2.334 105 L HA 0.834 5.523 4.340 0.297 -0.171 0.276 105 L C -1.517 175.573 176.870 0.366 0.000 1.014 105 L CA -1.370 53.671 54.840 0.335 0.000 0.815 105 L CB 3.736 45.919 42.059 0.206 0.000 1.268 105 L HN 0.819 9.185 8.230 0.404 0.106 0.428 106 I N 1.583 122.353 120.570 0.332 0.000 2.418 106 I HA 0.525 4.946 4.170 0.104 -0.189 0.287 106 I C -1.591 174.476 176.117 -0.084 0.000 1.008 106 I CA -1.379 59.998 61.300 0.129 0.000 1.104 106 I CB 3.132 41.172 38.000 0.067 0.000 1.264 106 I HN 0.945 9.380 8.210 0.374 0.000 0.438 107 K N 7.612 127.689 120.400 -0.538 0.000 2.227 107 K HA 0.555 4.138 4.320 -1.545 -0.190 0.280 107 K C -0.743 175.546 176.600 -0.520 0.000 1.041 107 K CA -1.423 54.207 56.287 -1.095 0.000 0.905 107 K CB 2.086 33.730 32.500 -1.427 0.000 1.068 107 K HN 0.525 8.463 8.250 -0.338 0.109 0.470 108 L N 6.694 127.653 121.223 -0.440 0.000 2.426 108 L HA -0.050 4.302 4.340 -0.173 -0.115 0.271 108 L C 0.464 177.211 176.870 -0.206 0.000 1.169 108 L CA 0.682 55.383 54.840 -0.233 0.000 0.836 108 L CB 0.277 42.243 42.059 -0.155 0.000 1.112 108 L HN 0.703 8.482 8.230 -0.566 0.112 0.465 109 S N 2.721 118.343 115.700 -0.129 0.000 2.423 109 S HA -0.225 4.176 4.470 -0.115 0.000 0.231 109 S C -0.447 174.106 174.600 -0.078 0.000 1.014 109 S CA 2.523 60.665 58.200 -0.098 0.000 0.965 109 S CB 0.468 63.631 63.200 -0.062 0.000 0.785 109 S HN 0.665 8.913 8.310 -0.103 0.000 0.495 110 S N -1.186 114.474 115.700 -0.067 0.000 2.595 110 S HA 0.316 4.755 4.470 -0.052 0.000 0.281 110 S C -2.926 171.645 174.600 -0.048 0.000 1.117 110 S CA -2.563 55.608 58.200 -0.049 0.000 0.873 110 S CB 1.586 64.770 63.200 -0.026 0.000 1.108 110 S HN -0.794 7.452 8.310 -0.069 0.022 0.477 111 P HA -0.071 4.449 4.420 -0.032 -0.119 0.271 111 P C -1.052 176.246 177.300 -0.002 0.000 1.216 111 P CA -0.345 62.744 63.100 -0.018 0.000 0.776 111 P CB 0.523 32.223 31.700 -0.000 0.000 0.881 112 A N 3.840 126.665 122.820 0.009 0.000 2.498 112 A HA -0.048 4.394 4.320 0.023 -0.108 0.239 112 A C 0.103 177.702 177.584 0.026 0.000 1.068 112 A CA 0.051 52.103 52.037 0.025 0.000 0.766 112 A CB 0.854 19.879 19.000 0.041 0.000 1.003 112 A HN 0.534 8.689 8.150 0.008 0.000 0.497 113 T N 4.991 119.560 114.554 0.024 0.000 2.728 113 T HA -0.043 4.319 4.350 0.020 0.000 0.296 113 T C -0.989 173.728 174.700 0.028 0.000 0.940 113 T CA 0.290 62.403 62.100 0.021 0.000 1.013 113 T CB 0.514 69.389 68.868 0.012 0.000 0.912 113 T HN 0.114 8.731 8.240 0.024 -0.362 0.484 114 L N 8.008 129.249 121.223 0.031 0.000 2.305 114 L HA 0.299 4.852 4.340 0.043 -0.187 0.281 114 L C -0.524 176.363 176.870 0.029 0.000 1.085 114 L CA -0.476 54.386 54.840 0.037 0.000 0.813 114 L CB 0.320 42.404 42.059 0.041 0.000 1.157 114 L HN 0.370 8.618 8.230 0.029 0.000 0.436 115 N N 4.263 122.981 118.700 0.030 0.000 3.449 115 N HA 0.182 4.935 4.740 0.021 0.000 0.312 115 N C -0.838 174.687 175.510 0.025 0.000 1.582 115 N CA -0.738 52.326 53.050 0.023 0.000 0.850 115 N CB 0.771 39.268 38.487 0.017 0.000 1.822 115 N HN 0.486 8.888 8.380 0.037 0.000 0.577 116 S N -2.368 113.343 115.700 0.018 0.000 2.423 116 S HA -0.268 4.215 4.470 0.022 0.000 0.231 116 S C 0.616 175.225 174.600 0.014 0.000 1.014 116 S CA 2.558 60.768 58.200 0.016 0.000 0.965 116 S CB -0.081 63.123 63.200 0.008 0.000 0.785 116 S HN 0.222 8.540 8.310 0.014 0.000 0.495 117 R N -0.993 119.515 120.500 0.013 0.000 2.290 117 R HA 0.173 4.511 4.340 -0.003 0.000 0.197 117 R C -1.012 175.302 176.300 0.024 0.000 0.913 117 R CA 0.271 56.377 56.100 0.010 0.000 1.040 117 R CB 1.673 31.979 30.300 0.010 0.000 0.992 117 R HN -0.588 7.870 8.270 0.015 -0.179 0.500 118 V N -0.776 119.160 119.914 0.036 0.000 2.419 118 V HA 0.445 4.788 4.120 0.057 -0.188 0.287 118 V C -2.416 173.717 176.094 0.065 0.000 1.017 118 V CA -1.447 60.885 62.300 0.053 0.000 0.844 118 V CB 2.339 34.194 31.823 0.052 0.000 1.011 118 V HN -0.238 8.167 8.190 0.033 -0.195 0.429 119 A N 6.886 129.761 122.820 0.092 0.000 2.572 119 A HA 0.534 4.905 4.320 0.084 0.000 0.295 119 A C -2.621 175.054 177.584 0.151 0.000 1.072 119 A CA -1.157 50.944 52.037 0.107 0.000 0.691 119 A CB 3.262 22.326 19.000 0.107 0.000 1.291 119 A HN 0.313 8.408 8.150 0.102 0.116 0.404 120 T N -1.769 112.857 114.554 0.120 0.000 2.899 120 T HA 0.344 4.970 4.350 0.140 -0.192 0.295 120 T C -0.023 174.732 174.700 0.092 0.000 1.033 120 T CA -0.917 61.251 62.100 0.113 0.000 1.084 120 T CB 1.078 69.991 68.868 0.076 0.000 0.979 120 T HN -0.103 8.192 8.240 0.092 0.000 0.532 121 V N 2.129 122.051 119.914 0.013 0.000 2.547 121 V HA 0.216 4.262 4.120 -0.124 0.000 0.299 121 V C -1.188 174.844 176.094 -0.103 0.000 1.040 121 V CA -1.897 60.308 62.300 -0.158 0.000 0.913 121 V CB 3.372 34.846 31.823 -0.582 0.000 0.992 121 V HN 0.302 8.514 8.190 0.038 0.000 0.449 122 S N 7.552 123.194 115.700 -0.096 0.000 2.562 122 S HA 0.046 4.496 4.470 -0.033 0.000 0.281 122 S C -0.282 174.281 174.600 -0.062 0.000 1.333 122 S CA 0.448 58.613 58.200 -0.057 0.000 1.052 122 S CB 0.431 63.603 63.200 -0.046 0.000 0.884 122 S HN 0.275 8.521 8.310 -0.107 0.000 0.506 123 L N 3.688 124.894 121.223 -0.029 0.000 2.476 123 L HA -0.036 4.297 4.340 -0.012 0.000 0.264 123 L C -1.178 175.685 176.870 -0.011 0.000 1.224 123 L CA -1.279 53.554 54.840 -0.011 0.000 0.821 123 L CB -0.703 41.362 42.059 0.009 0.000 1.101 123 L HN 0.208 8.426 8.230 -0.021 0.000 0.488 124 P HA -0.072 4.465 4.420 -0.014 -0.126 0.268 124 P C -0.943 176.357 177.300 0.000 0.000 1.205 124 P CA -0.077 63.023 63.100 -0.001 0.000 0.771 124 P CB 0.367 32.074 31.700 0.013 0.000 0.858 128 c N 1.523 120.121 118.600 -0.003 0.000 2.656 128 c HA 0.043 4.614 4.570 0.002 0.000 0.391 128 c C 0.553 174.638 174.090 -0.008 0.000 1.300 128 c CA -0.247 56.081 56.329 -0.002 0.000 2.302 128 c CB 0.269 42.778 42.510 -0.002 0.000 2.655 128 c HN 0.032 8.259 8.230 -0.005 0.000 0.656 129 A N 1.177 123.990 122.820 -0.012 0.000 2.310 129 A HA 0.089 4.397 4.320 -0.019 0.000 0.299 129 A C -0.834 176.738 177.584 -0.020 0.000 1.147 129 A CA -0.552 51.473 52.037 -0.020 0.000 0.818 129 A CB 1.000 19.982 19.000 -0.030 0.000 1.096 129 A HN 0.193 8.338 8.150 -0.009 0.000 0.495 133 G N 1.678 110.449 108.800 -0.049 0.000 2.176 133 G HA2 -0.368 3.554 3.960 -0.063 0.000 0.253 133 G HA3 -0.368 3.571 3.960 -0.035 0.000 0.253 133 G C 0.001 174.873 174.900 -0.048 0.000 0.979 133 G CA -0.146 44.924 45.100 -0.049 0.000 0.641 133 G HN 0.667 8.813 8.290 -0.060 0.108 0.530 134 T N 3.908 118.433 114.554 -0.048 0.000 2.902 134 T HA -0.148 4.182 4.350 -0.032 0.000 0.301 134 T C -0.495 174.172 174.700 -0.055 0.000 1.012 134 T CA 1.761 63.835 62.100 -0.044 0.000 1.151 134 T CB 0.702 69.544 68.868 -0.043 0.000 0.946 134 T HN -0.476 7.667 8.240 -0.048 0.068 0.542 135 E N 5.181 125.359 120.200 -0.037 0.000 2.338 135 E HA -0.005 4.319 4.350 -0.043 0.000 0.272 135 E C -0.660 175.920 176.600 -0.034 0.000 1.029 135 E CA -0.014 56.368 56.400 -0.029 0.000 0.872 135 E CB 0.547 30.246 29.700 -0.002 0.000 1.015 135 E HN 0.239 8.584 8.360 -0.026 0.000 0.417 136 c N 1.744 120.318 118.600 -0.043 0.000 2.971 136 c HA 0.604 5.295 4.570 -0.037 -0.143 0.310 136 c C -1.552 172.529 174.090 -0.014 0.000 1.285 136 c CA -1.213 55.087 56.329 -0.049 0.000 1.593 136 c CB 4.367 46.809 42.510 -0.114 0.000 2.076 136 c HN 0.707 8.804 8.230 -0.049 0.104 0.472 137 L N 1.393 122.614 121.223 -0.003 0.000 2.343 137 L HA 0.780 5.316 4.340 0.038 -0.173 0.278 137 L C -2.232 174.637 176.870 -0.003 0.000 0.996 137 L CA -1.223 53.632 54.840 0.025 0.000 0.831 137 L CB 3.157 45.257 42.059 0.067 0.000 1.232 137 L HN 0.606 8.723 8.230 -0.014 0.105 0.413 138 I N 8.484 129.037 120.570 -0.029 0.000 2.412 138 I HA 0.887 5.275 4.170 -0.023 -0.232 0.296 138 I C -1.277 174.797 176.117 -0.071 0.000 0.987 138 I CA -1.526 59.753 61.300 -0.036 0.000 1.180 138 I CB 2.122 40.106 38.000 -0.028 0.000 1.340 138 I HN 1.025 9.223 8.210 -0.019 0.000 0.455 139 S N 3.032 118.683 115.700 -0.082 0.000 2.588 139 S HA 0.991 5.477 4.470 -0.248 -0.165 0.275 139 S C -1.060 173.407 174.600 -0.221 0.000 1.130 139 S CA -1.936 56.142 58.200 -0.204 0.000 0.855 139 S CB 3.786 66.833 63.200 -0.254 0.000 1.116 139 S HN -0.165 8.130 8.310 -0.025 0.000 0.472 140 G N -1.384 107.185 108.800 -0.386 0.000 2.316 140 G HA2 0.185 3.881 3.960 -0.440 0.000 0.296 140 G HA3 0.185 4.195 3.960 -0.152 -0.142 0.296 140 G C -2.115 172.480 174.900 -0.508 0.000 1.399 140 G CA 0.613 45.488 45.100 -0.374 0.000 0.833 140 G HN 0.323 8.320 8.290 -0.489 0.000 0.565 141 W N 0.899 121.999 121.300 -0.334 0.000 3.151 141 W HA 0.322 4.748 4.660 -0.390 0.000 0.424 141 W C -0.234 175.889 176.519 -0.661 0.000 1.012 141 W CA -0.896 56.125 57.345 -0.540 0.000 2.018 141 W CB 0.129 29.069 29.460 -0.867 0.000 1.087 141 W HN 0.601 8.824 8.180 0.072 0.000 0.740 142 G N 0.851 109.482 108.800 -0.281 0.000 2.588 142 G HA2 -0.062 3.420 3.960 -0.823 0.000 0.278 142 G HA3 -0.062 3.980 3.960 -0.139 -0.165 0.278 142 G C -0.963 173.813 174.900 -0.206 0.000 1.307 142 G CA -0.767 44.109 45.100 -0.373 0.000 1.016 142 G HN -0.219 8.211 8.290 -0.170 -0.242 0.503 143 N N -0.503 118.238 118.700 0.069 0.000 2.356 143 N HA -0.328 4.981 4.740 0.384 -0.339 0.252 143 N C 0.766 176.336 175.510 0.099 0.000 1.241 143 N CA 0.869 54.060 53.050 0.234 0.000 0.861 143 N CB 0.589 39.236 38.487 0.267 0.000 1.075 143 N HN -0.004 8.469 8.380 0.155 0.000 0.461 144 T N -1.134 113.476 114.554 0.093 0.000 3.023 144 T HA 0.205 4.692 4.350 0.028 -0.119 0.253 144 T C 0.084 174.814 174.700 0.050 0.000 1.038 144 T CA 0.116 62.245 62.100 0.048 0.000 0.962 144 T CB 1.256 70.141 68.868 0.030 0.000 1.018 144 T HN 0.538 8.859 8.240 0.135 0.000 0.521 145 K N 2.775 123.214 120.400 0.065 0.000 2.159 145 K HA 0.202 4.546 4.320 0.040 0.000 0.266 145 K C 0.420 177.048 176.600 0.048 0.000 0.975 145 K CA -1.525 54.792 56.287 0.050 0.000 0.865 145 K CB 1.173 33.703 32.500 0.050 0.000 1.087 145 K HN -0.519 8.109 8.250 0.088 -0.325 0.446 146 S N 2.021 117.743 115.700 0.037 0.000 2.496 146 S HA -0.095 4.399 4.470 0.040 0.000 0.224 146 S C -0.416 174.202 174.600 0.031 0.000 0.996 146 S CA 1.097 59.319 58.200 0.036 0.000 0.927 146 S CB 0.690 63.910 63.200 0.032 0.000 0.774 146 S HN 0.171 8.500 8.310 0.032 0.000 0.524 147 S N 0.218 115.935 115.700 0.028 0.000 2.647 147 S HA 0.207 4.690 4.470 0.021 0.000 0.300 147 S C -0.495 174.120 174.600 0.025 0.000 1.129 147 S CA -0.210 58.004 58.200 0.024 0.000 1.029 147 S CB 1.590 64.802 63.200 0.021 0.000 1.007 147 S HN -0.765 7.522 8.310 0.030 0.041 0.484 148 G N 5.753 114.566 108.800 0.022 0.000 2.498 148 G HA2 -0.240 3.729 3.960 0.015 0.000 0.251 148 G HA3 -0.240 3.732 3.960 0.019 0.000 0.251 148 G C -1.770 173.150 174.900 0.032 0.000 1.170 148 G CA -0.171 44.942 45.100 0.021 0.000 0.944 148 G HN 0.200 8.502 8.290 0.019 0.000 0.567 149 S N 0.995 116.715 115.700 0.034 0.000 2.562 149 S HA 0.089 4.789 4.470 0.074 -0.186 0.274 149 S C -1.985 172.648 174.600 0.055 0.000 1.160 149 S CA -0.502 57.725 58.200 0.045 0.000 0.933 149 S CB 1.269 64.473 63.200 0.006 0.000 1.100 149 S HN 0.118 8.445 8.310 0.027 0.000 0.468 150 S N 6.191 121.954 115.700 0.104 0.000 2.614 150 S HA 0.183 4.708 4.470 0.091 0.000 0.259 150 S C -2.293 172.451 174.600 0.239 0.000 1.118 150 S CA 0.595 58.867 58.200 0.121 0.000 1.065 150 S CB 1.625 64.874 63.200 0.083 0.000 1.121 150 S HN 0.293 8.971 8.310 0.148 -0.279 0.458 151 Y N 8.345 128.669 120.300 0.041 0.000 2.359 151 Y HA 0.157 4.743 4.550 0.061 0.000 0.334 151 Y C -1.496 174.427 175.900 0.039 0.000 1.058 151 Y CA -2.909 55.222 58.100 0.051 0.000 1.244 151 Y CB 0.191 38.689 38.460 0.065 0.000 1.187 151 Y HN 0.365 8.780 8.280 0.224 0.000 0.510 152 P HA 0.191 4.658 4.420 0.077 0.000 0.284 152 P C -1.002 176.366 177.300 0.113 0.000 1.258 152 P CA -1.136 62.019 63.100 0.092 0.000 0.824 152 P CB 1.656 33.376 31.700 0.033 0.000 1.038 153 S N -1.159 114.582 115.700 0.069 0.000 2.387 153 S HA -0.088 4.519 4.470 0.013 -0.130 0.226 153 S C -0.287 174.375 174.600 0.103 0.000 1.026 153 S CA 2.803 61.029 58.200 0.043 0.000 0.972 153 S CB 0.770 63.972 63.200 0.003 0.000 0.814 153 S HN 0.331 8.668 8.310 0.045 0.000 0.477 154 L N -1.062 120.170 121.223 0.016 0.000 2.325 154 L HA 0.347 4.689 4.340 -0.310 -0.189 0.279 154 L C -0.213 176.526 176.870 -0.218 0.000 1.054 154 L CA -1.412 53.308 54.840 -0.199 0.000 0.804 154 L CB 1.636 43.508 42.059 -0.311 0.000 1.200 154 L HN -0.691 7.538 8.230 -0.002 0.000 0.436 155 L N 2.893 123.873 121.223 -0.405 0.000 2.499 155 L HA -0.133 3.186 4.340 -1.703 0.000 0.273 155 L C -1.047 175.531 176.870 -0.486 0.000 1.195 155 L CA 0.737 55.055 54.840 -0.870 0.000 0.882 155 L CB 0.650 42.274 42.059 -0.726 0.000 1.133 155 L HN -0.195 7.802 8.230 -0.389 0.000 0.483 156 Q N 5.389 124.869 119.800 -0.534 0.000 2.226 156 Q HA 0.509 4.784 4.340 -0.347 -0.143 0.256 156 Q C -0.939 174.787 176.000 -0.457 0.000 0.962 156 Q CA -1.725 53.838 55.803 -0.400 0.000 0.887 156 Q CB 2.386 30.947 28.738 -0.295 0.000 1.282 156 Q HN -0.005 7.847 8.270 -0.697 0.000 0.449 157 c N -0.046 118.195 118.600 -0.599 0.000 2.707 157 c HA 0.938 5.431 4.570 -0.416 -0.172 0.313 157 c C -1.848 171.865 174.090 -0.628 0.000 1.209 157 c CA -0.805 55.120 56.329 -0.672 0.000 1.635 157 c CB 4.033 45.958 42.510 -0.975 0.000 2.206 157 c HN 0.865 8.667 8.230 -0.714 0.000 0.485 158 L N 0.283 121.348 121.223 -0.264 0.000 2.543 158 L HA 0.382 4.757 4.340 0.058 0.000 0.265 158 L C -2.496 174.441 176.870 0.112 0.000 0.945 158 L CA 0.185 55.018 54.840 -0.012 0.000 0.869 158 L CB 4.344 46.421 42.059 0.029 0.000 1.294 158 L HN 0.688 8.804 8.230 -0.190 0.000 0.405 159 K N 6.809 127.351 120.400 0.238 0.000 2.227 159 K HA 0.718 5.331 4.320 0.139 -0.209 0.280 159 K C -0.972 175.787 176.600 0.265 0.000 1.041 159 K CA -1.251 55.160 56.287 0.207 0.000 0.905 159 K CB 0.227 32.852 32.500 0.207 0.000 1.068 159 K HN 0.268 8.704 8.250 0.311 0.000 0.470 160 A N 3.414 126.303 122.820 0.116 0.000 2.574 160 A HA 0.506 4.825 4.320 -0.002 0.000 0.297 160 A C -3.466 174.006 177.584 -0.187 0.000 1.062 160 A CA -1.932 50.080 52.037 -0.042 0.000 0.686 160 A CB 2.708 21.667 19.000 -0.069 0.000 1.285 160 A HN 0.688 8.866 8.150 0.047 0.000 0.403 161 P HA 0.683 5.208 4.420 -0.148 -0.194 0.287 161 P C -1.043 176.121 177.300 -0.227 0.000 1.270 161 P CA -1.674 61.288 63.100 -0.229 0.000 0.844 161 P CB 1.466 33.039 31.700 -0.212 0.000 1.068 162 V N 1.774 121.596 119.914 -0.154 0.000 2.540 162 V HA -0.199 3.955 4.120 -0.137 -0.115 0.297 162 V C 0.355 176.385 176.094 -0.107 0.000 1.024 162 V CA 1.983 64.209 62.300 -0.123 0.000 1.105 162 V CB -0.427 31.345 31.823 -0.085 0.000 0.938 162 V HN 0.251 8.367 8.190 -0.124 0.000 0.482 163 L N 6.876 128.045 121.223 -0.091 0.000 2.439 163 L HA 0.186 4.472 4.340 -0.090 0.000 0.261 163 L C -0.040 176.807 176.870 -0.038 0.000 1.153 163 L CA -0.653 54.144 54.840 -0.071 0.000 0.808 163 L CB 0.578 42.604 42.059 -0.055 0.000 1.126 163 L HN 0.278 8.352 8.230 -0.082 0.107 0.460 164 S N 0.173 115.856 115.700 -0.029 0.000 2.572 164 S HA -0.156 4.304 4.470 -0.015 0.000 0.267 164 S C 0.450 175.049 174.600 -0.002 0.000 1.361 164 S CA -0.409 57.782 58.200 -0.014 0.000 1.009 164 S CB 0.995 64.188 63.200 -0.012 0.000 0.888 164 S HN 0.114 8.403 8.310 -0.035 0.000 0.553 165 D N 1.881 122.283 120.400 0.004 0.000 2.224 165 D HA -0.154 4.498 4.640 0.020 0.000 0.205 165 D C 2.100 178.410 176.300 0.017 0.000 0.965 165 D CA 3.192 57.200 54.000 0.014 0.000 0.852 165 D CB -0.636 40.171 40.800 0.012 0.000 0.947 165 D HN 0.570 8.940 8.370 0.000 0.000 0.494 166 S N -0.952 114.754 115.700 0.009 0.000 2.348 166 S HA -0.262 4.215 4.470 0.011 0.000 0.221 166 S C 1.608 176.213 174.600 0.008 0.000 1.033 166 S CA 2.996 61.201 58.200 0.008 0.000 1.010 166 S CB -0.056 63.145 63.200 0.003 0.000 0.891 166 S HN -0.137 8.124 8.310 0.005 0.052 0.442 167 S N 2.990 118.692 115.700 0.003 0.000 2.368 167 S HA -0.292 4.174 4.470 -0.007 0.000 0.225 167 S C 2.183 176.791 174.600 0.013 0.000 1.030 167 S CA 4.146 62.345 58.200 -0.001 0.000 0.999 167 S CB -0.617 62.579 63.200 -0.008 0.000 0.844 167 S HN -0.177 8.133 8.310 0.000 0.000 0.459 168 c N 1.643 120.263 118.600 0.033 0.000 2.489 168 c HA -0.226 4.403 4.570 0.098 0.000 0.279 168 c C 1.790 175.952 174.090 0.119 0.000 1.266 168 c CA 2.524 58.900 56.329 0.078 0.000 1.707 168 c CB -1.432 41.113 42.510 0.058 0.000 2.059 168 c HN 0.121 8.365 8.230 0.024 0.000 0.481 169 K N -1.066 119.385 120.400 0.085 0.000 2.155 169 K HA -0.290 4.117 4.320 0.145 0.000 0.203 169 K C 2.387 179.031 176.600 0.074 0.000 1.052 169 K CA 2.833 59.178 56.287 0.098 0.000 0.948 169 K CB -0.152 32.388 32.500 0.067 0.000 0.728 169 K HN -0.545 7.740 8.250 0.059 0.000 0.448 170 S N -0.488 115.230 115.700 0.031 0.000 2.428 170 S HA -0.132 4.341 4.470 0.006 0.000 0.230 170 S C 1.433 176.004 174.600 -0.048 0.000 1.014 170 S CA 2.912 61.111 58.200 -0.002 0.000 0.957 170 S CB -0.293 62.898 63.200 -0.015 0.000 0.784 170 S HN -0.097 8.230 8.310 0.028 0.000 0.499 171 S N 0.572 116.222 115.700 -0.084 0.000 2.428 171 S HA -0.137 4.164 4.470 -0.282 0.000 0.230 171 S C -1.247 173.048 174.600 -0.508 0.000 1.014 171 S CA 3.607 61.621 58.200 -0.309 0.000 0.957 171 S CB 0.789 63.762 63.200 -0.378 0.000 0.784 171 S HN -0.720 7.456 8.310 -0.021 0.122 0.499 172 Y N -2.338 117.980 120.300 0.029 0.000 2.535 172 Y HA 0.552 5.150 4.550 0.080 0.000 0.351 172 Y C -2.762 173.189 175.900 0.085 0.000 1.050 172 Y CA -2.631 55.522 58.100 0.087 0.000 1.168 172 Y CB 0.155 38.716 38.460 0.167 0.000 1.116 172 Y HN -0.767 7.567 8.280 0.132 0.024 0.654 173 P HA -0.127 4.462 4.420 0.085 -0.118 0.261 173 P C 0.793 178.157 177.300 0.106 0.000 1.183 173 P CA 1.126 64.281 63.100 0.092 0.000 0.761 173 P CB -0.012 31.713 31.700 0.041 0.000 0.785 174 G N 4.467 113.324 108.800 0.094 0.000 2.184 174 G HA2 -0.376 3.619 3.960 0.059 0.000 0.264 174 G HA3 -0.376 3.616 3.960 0.054 0.000 0.264 174 G C 0.205 175.159 174.900 0.091 0.000 0.975 174 G CA 0.596 45.740 45.100 0.073 0.000 0.642 174 G HN 0.560 8.902 8.290 0.087 0.000 0.536 175 Q N -2.066 117.831 119.800 0.161 0.000 2.214 175 Q HA 0.103 4.493 4.340 0.084 0.000 0.229 175 Q C -0.512 175.641 176.000 0.255 0.000 0.835 175 Q CA -0.447 55.466 55.803 0.184 0.000 0.953 175 Q CB 1.562 30.471 28.738 0.284 0.000 1.131 175 Q HN -0.151 8.183 8.270 0.203 0.058 0.501 176 I N 1.410 122.113 120.570 0.222 0.000 2.301 176 I HA 0.078 4.404 4.170 0.260 0.000 0.292 176 I C -0.381 175.814 176.117 0.130 0.000 1.046 176 I CA -2.295 59.122 61.300 0.194 0.000 1.282 176 I CB -1.635 36.453 38.000 0.147 0.000 1.409 176 I HN -0.356 7.968 8.210 0.190 0.000 0.484 177 T N 2.949 117.579 114.554 0.127 0.000 2.810 177 T HA 0.147 4.533 4.350 0.061 0.000 0.277 177 T C 1.529 176.270 174.700 0.068 0.000 0.973 177 T CA -1.356 60.792 62.100 0.079 0.000 0.949 177 T CB 1.995 70.903 68.868 0.066 0.000 1.075 177 T HN -0.549 7.794 8.240 0.172 0.000 0.537 178 G N -1.365 107.460 108.800 0.041 0.000 2.559 178 G HA2 -0.131 3.846 3.960 0.029 0.000 0.216 178 G HA3 -0.131 3.832 3.960 0.006 0.000 0.216 178 G C -0.185 174.734 174.900 0.032 0.000 1.126 178 G CA 1.124 46.240 45.100 0.026 0.000 0.778 178 G HN 0.472 8.780 8.290 0.029 0.000 0.543 179 N N -0.225 118.513 118.700 0.064 0.000 2.279 179 N HA 0.117 4.908 4.740 0.085 0.000 0.226 179 N C -1.564 174.049 175.510 0.172 0.000 1.126 179 N CA -0.611 52.510 53.050 0.118 0.000 0.846 179 N CB 0.578 39.165 38.487 0.167 0.000 1.050 179 N HN -0.450 7.904 8.380 0.070 0.068 0.502 180 M N -1.278 118.401 119.600 0.131 0.000 2.501 180 M HA 0.759 5.524 4.480 0.145 -0.198 0.293 180 M C -1.877 174.474 176.300 0.085 0.000 1.192 180 M CA -0.332 55.044 55.300 0.126 0.000 0.886 180 M CB 5.089 37.776 32.600 0.144 0.000 1.710 180 M HN -0.745 7.525 8.290 0.101 0.080 0.457 181 I N -7.185 113.434 120.570 0.082 0.000 2.934 181 I HA 0.623 4.820 4.170 0.045 0.000 0.306 181 I C -2.432 173.734 176.117 0.081 0.000 1.110 181 I CA -2.536 58.803 61.300 0.065 0.000 1.019 181 I CB 3.936 41.969 38.000 0.055 0.000 1.227 181 I HN 0.646 8.920 8.210 0.107 0.000 0.434 182 c N 2.153 120.787 118.600 0.056 0.000 2.358 182 c HA 0.841 5.707 4.570 0.156 -0.202 0.342 182 c C -0.357 173.762 174.090 0.050 0.000 1.234 182 c CA -0.856 55.525 56.329 0.087 0.000 1.969 182 c CB 0.914 43.455 42.510 0.052 0.000 2.346 182 c HN 0.774 9.024 8.230 0.033 0.000 0.525 183 V N 3.704 123.669 119.914 0.085 0.000 2.443 183 V HA 0.481 4.678 4.120 -0.161 -0.173 0.272 183 V C -1.918 174.135 176.094 -0.069 0.000 1.002 183 V CA -0.412 61.811 62.300 -0.129 0.000 0.840 183 V CB 0.987 32.548 31.823 -0.437 0.000 1.042 183 V HN 0.032 8.410 8.190 0.314 0.000 0.446 184 F N 3.626 123.604 119.950 0.046 0.000 2.421 184 F HA 0.311 4.853 4.527 0.025 0.000 0.337 184 F C 0.694 176.513 175.800 0.031 0.000 1.105 184 F CA -0.292 57.728 58.000 0.033 0.000 1.049 184 F CB 1.860 40.879 39.000 0.031 0.000 1.139 184 F HN 0.178 8.616 8.300 0.230 0.000 0.479 185 L N 2.821 124.139 121.223 0.158 0.000 2.341 185 L HA -0.174 4.209 4.340 0.071 0.000 0.214 185 L C 1.219 178.148 176.870 0.099 0.000 1.115 185 L CA 2.119 57.015 54.840 0.092 0.000 0.820 185 L CB -0.293 41.794 42.059 0.046 0.000 0.944 185 L HN 0.441 8.752 8.230 0.134 0.000 0.452 186 E N -1.984 118.294 120.200 0.129 0.000 2.338 186 E HA -0.209 4.177 4.350 0.060 0.000 0.197 186 E C 0.464 177.107 176.600 0.071 0.000 1.007 186 E CA 0.749 57.199 56.400 0.083 0.000 0.849 186 E CB -0.186 29.556 29.700 0.069 0.000 0.774 186 E HN -0.041 8.404 8.360 0.188 0.028 0.506 187 G N 1.115 109.976 108.800 0.102 0.000 3.421 187 G HA2 -0.387 3.683 3.960 0.104 0.000 0.656 187 G HA3 -0.387 3.620 3.960 0.063 -0.009 0.656 187 G C -1.113 173.813 174.900 0.044 0.000 1.007 187 G CA 0.015 45.164 45.100 0.082 0.000 0.811 187 G HN -0.445 7.898 8.290 0.155 0.040 0.433 188 K N 0.520 120.941 120.400 0.035 0.000 5.472 188 K HA -0.564 4.020 4.320 0.036 -0.242 0.892 188 K C -1.721 175.005 176.600 0.208 0.000 1.918 188 K CA 0.055 56.382 56.287 0.068 0.000 1.518 188 K CB 0.067 32.503 32.500 -0.106 0.000 2.620 188 K HN 0.296 8.594 8.250 0.080 0.000 0.228 189 D N 1.537 122.030 120.400 0.156 0.000 2.710 189 D HA 0.289 5.065 4.640 0.227 0.000 0.276 189 D C -1.901 174.479 176.300 0.133 0.000 1.267 189 D CA -0.654 53.450 54.000 0.174 0.000 0.772 189 D CB 4.064 44.953 40.800 0.149 0.000 1.299 189 D HN 0.242 8.676 8.370 0.106 0.000 0.421 190 S N -0.985 114.811 115.700 0.159 0.000 2.617 190 S HA 0.283 4.903 4.470 0.085 -0.099 0.269 190 S C -0.860 173.789 174.600 0.082 0.000 1.292 190 S CA 0.094 58.365 58.200 0.119 0.000 1.010 190 S CB 1.079 64.388 63.200 0.181 0.000 0.944 190 S HN 0.167 8.603 8.310 0.209 0.000 0.536 191 c N -1.925 116.719 118.600 0.074 0.000 3.307 191 c HA 0.311 4.926 4.570 0.075 0.000 0.350 191 c C -0.895 173.262 174.090 0.111 0.000 1.549 191 c CA -0.808 55.571 56.329 0.083 0.000 1.396 191 c CB 4.090 46.653 42.510 0.088 0.000 1.970 191 c HN 0.671 9.319 8.230 0.066 -0.378 0.441 192 Q N 1.111 120.998 119.800 0.145 0.000 2.304 192 Q HA -0.403 4.058 4.340 0.202 0.000 0.315 192 Q C 1.027 177.172 176.000 0.242 0.000 1.075 192 Q CA 1.861 57.789 55.803 0.209 0.000 0.988 192 Q CB -0.291 28.579 28.738 0.221 0.000 1.146 192 Q HN 0.561 8.907 8.270 0.128 0.000 0.383 193 G N 5.829 114.771 108.800 0.237 0.000 2.241 193 G HA2 -0.474 3.783 3.960 0.220 0.000 0.244 193 G HA3 -0.474 3.434 3.960 -0.086 0.000 0.244 193 G C 0.606 175.581 174.900 0.125 0.000 0.998 193 G CA 1.238 46.426 45.100 0.147 0.000 0.621 193 G HN 0.703 9.144 8.290 0.252 0.000 0.519 194 D N 1.876 122.330 120.400 0.090 0.000 2.323 194 D HA 0.034 4.728 4.640 0.091 0.000 0.209 194 D C 0.240 176.606 176.300 0.110 0.000 0.973 194 D CA 1.224 55.277 54.000 0.088 0.000 0.874 194 D CB 0.105 40.942 40.800 0.061 0.000 0.930 194 D HN 0.204 8.438 8.370 0.100 0.196 0.521 195 S N -0.714 115.066 115.700 0.134 0.000 2.642 195 S HA -0.555 4.161 4.470 0.195 -0.129 0.308 195 S C 1.114 175.727 174.600 0.023 0.000 1.255 195 S CA 2.804 61.088 58.200 0.141 0.000 1.057 195 S CB -0.277 63.063 63.200 0.233 0.000 0.785 195 S HN -0.606 7.758 8.310 0.158 0.040 0.500 196 G N 4.596 113.407 108.800 0.018 0.000 2.253 196 G HA2 -0.446 3.568 3.960 -0.023 0.000 0.251 196 G HA3 -0.446 3.582 3.960 -0.070 -0.110 0.251 196 G C -0.317 174.612 174.900 0.049 0.000 0.998 196 G CA 0.340 45.431 45.100 -0.014 0.000 0.621 196 G HN 0.948 9.175 8.290 0.083 0.113 0.524 197 G N 0.861 109.712 108.800 0.085 0.000 2.621 197 G HA2 0.361 4.456 3.960 0.106 0.000 0.271 197 G HA3 0.361 4.380 3.960 0.099 0.000 0.271 197 G C -2.661 172.318 174.900 0.131 0.000 1.236 197 G CA -1.982 43.181 45.100 0.106 0.000 0.958 197 G HN -0.232 8.028 8.290 0.091 0.085 0.512 198 P HA 0.282 4.768 4.420 0.110 0.000 0.281 198 P C -1.570 175.778 177.300 0.080 0.000 1.249 198 P CA -0.785 62.396 63.100 0.136 0.000 0.810 198 P CB 1.623 33.486 31.700 0.270 0.000 1.008 199 V N 2.012 121.932 119.914 0.010 0.000 2.349 199 V HA 0.316 4.559 4.120 -0.085 -0.174 0.284 199 V C -1.227 174.820 176.094 -0.079 0.000 1.014 199 V CA -1.469 60.775 62.300 -0.093 0.000 0.826 199 V CB 0.615 32.276 31.823 -0.270 0.000 1.009 199 V HN 0.109 8.310 8.190 0.019 0.000 0.431 200 V N 8.241 128.122 119.914 -0.055 0.000 2.417 200 V HA 0.445 4.694 4.120 -0.119 -0.201 0.291 200 V C -1.232 174.827 176.094 -0.059 0.000 1.024 200 V CA -1.123 61.125 62.300 -0.086 0.000 0.861 200 V CB 2.174 33.919 31.823 -0.131 0.000 0.985 200 V HN 0.628 8.809 8.190 -0.015 0.000 0.436 201 c N 7.555 126.116 118.600 -0.066 0.000 2.364 201 c HA 0.629 5.298 4.570 -0.038 -0.121 0.324 201 c C 0.041 174.106 174.090 -0.041 0.000 1.234 201 c CA -1.609 54.691 56.329 -0.049 0.000 1.417 201 c CB 1.645 44.120 42.510 -0.059 0.000 2.101 201 c HN 0.883 9.066 8.230 -0.078 0.000 0.466 202 N N 5.235 123.919 118.700 -0.026 0.000 2.714 202 N HA -0.435 4.298 4.740 -0.012 0.000 0.252 202 N C -0.158 175.335 175.510 -0.028 0.000 1.014 202 N CA 1.081 54.118 53.050 -0.021 0.000 0.735 202 N CB -0.756 37.719 38.487 -0.020 0.000 0.924 202 N HN 0.814 9.184 8.380 -0.018 0.000 0.540 203 G N -7.379 101.399 108.800 -0.036 0.000 2.148 203 G HA2 -0.489 3.440 3.960 -0.051 0.000 0.254 203 G HA3 -0.489 3.451 3.960 -0.033 0.000 0.254 203 G C -1.531 173.318 174.900 -0.086 0.000 0.981 203 G CA 0.251 45.320 45.100 -0.050 0.000 0.670 203 G HN 0.152 8.422 8.290 -0.028 0.003 0.528 210 Q N 0.618 120.395 119.800 -0.038 0.000 2.391 210 Q HA 0.164 4.512 4.340 0.013 0.000 0.211 210 Q C -0.158 175.851 176.000 0.016 0.000 0.908 210 Q CA 0.236 56.033 55.803 -0.011 0.000 0.920 210 Q CB 2.222 30.939 28.738 -0.036 0.000 1.056 210 Q HN 0.241 8.472 8.270 -0.064 0.000 0.523 211 G N -2.757 106.046 108.800 0.005 0.000 2.660 211 G HA2 0.583 4.876 3.960 0.118 0.000 0.294 211 G HA3 0.583 4.541 3.960 -0.004 0.000 0.294 211 G C -3.264 171.708 174.900 0.120 0.000 1.369 211 G CA -0.616 44.523 45.100 0.065 0.000 0.912 211 G HN -0.414 7.863 8.290 -0.022 0.000 0.479 212 I N 0.299 120.994 120.570 0.208 0.000 2.436 212 I HA 0.607 5.087 4.170 0.174 -0.206 0.289 212 I C -0.163 176.131 176.117 0.296 0.000 1.010 212 I CA -1.644 59.776 61.300 0.200 0.000 1.098 212 I CB 3.779 41.840 38.000 0.103 0.000 1.266 212 I HN -0.326 8.105 8.210 0.242 -0.075 0.434 213 V N 7.654 127.744 119.914 0.293 0.000 2.509 213 V HA -0.242 3.881 4.120 0.005 0.000 0.297 213 V C -0.864 175.282 176.094 0.088 0.000 1.014 213 V CA 2.045 64.442 62.300 0.162 0.000 1.127 213 V CB -1.722 30.211 31.823 0.182 0.000 0.925 213 V HN 0.470 8.802 8.190 0.236 0.000 0.480 214 S N 7.852 123.510 115.700 -0.069 0.000 3.526 214 S HA 0.436 5.227 4.470 0.376 -0.095 0.222 214 S C -1.361 173.324 174.600 0.143 0.000 1.001 214 S CA 0.514 58.809 58.200 0.158 0.000 0.831 214 S CB 2.701 66.006 63.200 0.176 0.000 0.941 214 S HN -0.004 8.038 8.310 -0.448 0.000 0.585 215 W N -1.677 119.477 121.300 -0.244 0.000 3.005 215 W HA 0.339 4.870 4.660 -0.215 0.000 0.343 215 W C -2.888 173.489 176.519 -0.237 0.000 1.243 215 W CA -0.845 56.360 57.345 -0.234 0.000 1.186 215 W CB 1.054 30.383 29.460 -0.219 0.000 1.453 215 W HN -0.033 7.902 8.180 -0.409 0.000 0.575 216 G N -2.121 106.765 108.800 0.143 0.000 2.441 216 G HA2 0.173 3.977 3.960 -0.260 0.000 0.294 216 G HA3 0.173 4.136 3.960 0.006 0.000 0.294 216 G C -2.328 172.786 174.900 0.358 0.000 1.393 216 G CA 0.197 45.329 45.100 0.052 0.000 0.796 216 G HN -0.155 8.374 8.290 0.397 0.000 0.494 220 c N 0.597 119.214 118.600 0.030 0.000 3.482 220 c HA 0.536 5.304 4.570 0.082 -0.148 0.208 220 c C -0.971 173.165 174.090 0.076 0.000 1.306 220 c CA -1.938 54.431 56.329 0.066 0.000 1.254 220 c CB -1.765 40.784 42.510 0.064 0.000 1.832 220 c HN 0.292 8.529 8.230 0.011 0.000 0.554 221 Q N -0.674 119.189 119.800 0.104 0.000 2.967 221 Q HA 0.040 4.432 4.340 0.086 0.000 0.237 221 Q C -1.571 174.484 176.000 0.093 0.000 0.993 221 Q CA -0.136 55.730 55.803 0.106 0.000 0.888 221 Q CB 2.646 31.478 28.738 0.157 0.000 2.137 221 Q HN 0.256 8.597 8.270 0.119 0.000 0.539 222 K N 3.456 123.898 120.400 0.070 0.000 2.489 222 K HA -0.308 4.188 4.320 0.055 -0.143 0.278 222 K C 0.144 176.757 176.600 0.021 0.000 1.000 222 K CA 0.906 57.221 56.287 0.047 0.000 1.012 222 K CB -0.044 32.477 32.500 0.035 0.000 0.903 222 K HN 0.309 8.600 8.250 0.068 0.000 0.485 223 N N 1.371 120.072 118.700 0.002 0.000 2.693 223 N HA -0.471 4.244 4.740 -0.041 0.000 0.249 223 N C -2.065 173.361 175.510 -0.140 0.000 1.119 223 N CA 2.021 55.036 53.050 -0.058 0.000 0.717 223 N CB -0.768 37.674 38.487 -0.075 0.000 1.071 223 N HN 0.747 9.033 8.380 0.026 0.110 0.555 224 K N -3.411 116.956 120.400 -0.055 0.000 3.029 224 K HA 0.520 4.629 4.320 -0.353 0.000 0.169 224 K C -2.558 174.126 176.600 0.140 0.000 1.090 224 K CA -3.371 52.894 56.287 -0.038 0.000 0.883 224 K CB -0.014 32.558 32.500 0.120 0.000 1.080 224 K HN -0.795 7.424 8.250 0.022 0.043 0.613 225 P HA -0.012 4.497 4.420 0.148 0.000 0.272 225 P C 0.129 177.517 177.300 0.146 0.000 1.230 225 P CA -0.396 62.795 63.100 0.151 0.000 0.788 225 P CB 0.900 32.665 31.700 0.108 0.000 0.949 226 G N -1.245 107.618 108.800 0.106 0.000 2.432 226 G HA2 0.073 3.908 3.960 -0.209 0.000 0.239 226 G HA3 0.073 4.077 3.960 -0.061 -0.080 0.239 226 G C -1.219 173.513 174.900 -0.279 0.000 1.291 226 G CA -0.206 44.828 45.100 -0.110 0.000 0.863 226 G HN -0.131 8.329 8.290 0.175 -0.065 0.560 227 V N 2.785 122.225 119.914 -0.789 0.000 2.483 227 V HA 0.597 4.645 4.120 -0.404 -0.170 0.295 227 V C -0.880 174.688 176.094 -0.877 0.000 1.035 227 V CA -1.842 59.947 62.300 -0.852 0.000 0.896 227 V CB 1.599 32.403 31.823 -1.699 0.000 0.986 227 V HN 0.517 8.182 8.190 -0.875 0.000 0.447 228 Y N 4.373 124.557 120.300 -0.194 0.000 2.477 228 Y HA 0.533 5.223 4.550 -0.020 -0.152 0.347 228 Y C 0.032 175.941 175.900 0.015 0.000 0.981 228 Y CA -2.015 56.053 58.100 -0.053 0.000 1.033 228 Y CB 4.044 42.482 38.460 -0.037 0.000 1.245 228 Y HN 1.042 9.314 8.280 -0.012 0.000 0.455 229 T N 5.498 120.159 114.554 0.179 0.000 2.888 229 T HA -0.063 4.523 4.350 0.167 -0.136 0.301 229 T C -0.623 174.188 174.700 0.184 0.000 1.001 229 T CA 1.674 63.864 62.100 0.150 0.000 1.147 229 T CB 0.545 69.439 68.868 0.043 0.000 0.931 229 T HN 0.334 8.677 8.240 0.172 0.000 0.541 230 K N 8.274 128.814 120.400 0.233 0.000 2.150 230 K HA 0.085 4.614 4.320 0.151 -0.119 0.261 230 K C 0.959 177.732 176.600 0.289 0.000 1.127 230 K CA -0.748 55.663 56.287 0.206 0.000 0.989 230 K CB -0.193 32.398 32.500 0.151 0.000 1.475 230 K HN 0.369 8.668 8.250 0.260 0.107 0.391 231 V N 5.492 125.546 119.914 0.233 0.000 2.568 231 V HA -0.417 3.957 4.120 0.425 0.000 0.253 231 V C 1.404 177.640 176.094 0.237 0.000 1.072 231 V CA 3.505 65.971 62.300 0.277 0.000 1.084 231 V CB -0.802 31.110 31.823 0.150 0.000 0.676 231 V HN 0.328 8.615 8.190 0.161 0.000 0.469 232 c N -4.112 114.565 118.600 0.127 0.000 2.430 232 c HA -0.138 4.471 4.570 0.065 0.000 0.288 232 c C 1.144 175.245 174.090 0.018 0.000 1.448 232 c CA 0.700 57.067 56.329 0.063 0.000 1.784 232 c CB -2.108 40.419 42.510 0.029 0.000 1.776 232 c HN 0.532 8.797 8.230 0.110 0.031 0.547 233 N N 0.622 119.300 118.700 -0.036 0.000 2.412 233 N HA -0.025 4.604 4.740 -0.186 0.000 0.184 233 N C 0.143 175.401 175.510 -0.420 0.000 1.101 233 N CA 0.943 53.819 53.050 -0.289 0.000 0.881 233 N CB 0.006 38.197 38.487 -0.493 0.000 0.969 233 N HN -0.220 8.146 8.380 0.063 0.052 0.459 234 Y N -3.516 116.846 120.300 0.103 0.000 2.500 234 Y HA 0.123 4.810 4.550 0.230 0.000 0.246 234 Y C 0.598 176.622 175.900 0.208 0.000 1.146 234 Y CA -0.096 58.123 58.100 0.197 0.000 1.230 234 Y CB 0.551 39.149 38.460 0.229 0.000 1.214 234 Y HN -0.212 8.020 8.280 0.204 0.171 0.526 235 V N 1.540 121.574 119.914 0.201 0.000 2.407 235 V HA -0.539 3.661 4.120 0.133 0.000 0.248 235 V C 1.543 177.695 176.094 0.097 0.000 1.055 235 V CA 4.697 67.073 62.300 0.127 0.000 1.049 235 V CB -0.874 30.988 31.823 0.065 0.000 0.662 235 V HN -0.009 8.260 8.190 0.131 0.000 0.455 236 N N -0.308 118.456 118.700 0.106 0.000 2.084 236 N HA -0.278 4.479 4.740 0.028 0.000 0.190 236 N C 1.757 177.336 175.510 0.115 0.000 1.030 236 N CA 3.183 56.282 53.050 0.081 0.000 0.849 236 N CB -0.688 37.844 38.487 0.076 0.000 1.012 236 N HN 0.069 8.511 8.380 0.102 0.000 0.423 237 W N 1.277 122.613 121.300 0.060 0.000 2.338 237 W HA -0.186 4.488 4.660 0.023 0.000 0.304 237 W C 1.644 178.164 176.519 0.002 0.000 1.212 237 W CA 3.339 60.726 57.345 0.069 0.000 1.264 237 W CB -0.044 29.549 29.460 0.221 0.000 1.142 237 W HN -0.296 8.134 8.180 0.416 0.000 0.512 238 I N -1.335 119.206 120.570 -0.048 0.000 2.142 238 I HA -0.727 3.015 4.170 -0.714 0.000 0.240 238 I C 1.986 177.843 176.117 -0.433 0.000 1.078 238 I CA 4.103 65.199 61.300 -0.340 0.000 1.343 238 I CB -0.375 37.591 38.000 -0.057 0.000 1.046 238 I HN 0.216 8.596 8.210 0.284 0.000 0.405 239 Q N -0.923 118.732 119.800 -0.241 0.000 2.124 239 Q HA -0.361 3.811 4.340 -0.281 0.000 0.202 239 Q C 2.393 178.226 176.000 -0.278 0.000 0.977 239 Q CA 2.893 58.552 55.803 -0.239 0.000 0.850 239 Q CB -0.593 28.070 28.738 -0.125 0.000 0.901 239 Q HN -0.044 8.155 8.270 -0.119 0.000 0.429 240 Q N -1.036 118.609 119.800 -0.260 0.000 2.119 240 Q HA -0.321 3.917 4.340 -0.170 0.000 0.201 240 Q C 2.670 178.463 176.000 -0.346 0.000 0.972 240 Q CA 3.349 59.011 55.803 -0.235 0.000 0.847 240 Q CB -0.045 28.605 28.738 -0.147 0.000 0.903 240 Q HN 0.289 8.430 8.270 -0.215 0.000 0.433 241 T N 2.982 117.186 114.554 -0.583 0.000 2.777 241 T HA -0.313 3.761 4.350 -0.459 0.000 0.266 241 T C 1.798 176.093 174.700 -0.675 0.000 1.040 241 T CA 4.985 66.687 62.100 -0.663 0.000 1.141 241 T CB -0.400 67.841 68.868 -1.046 0.000 0.868 241 T HN -0.143 7.678 8.240 -0.698 0.000 0.444 242 I N 0.453 120.495 120.570 -0.880 0.000 2.163 242 I HA -0.499 2.806 4.170 -1.442 0.000 0.243 242 I C 1.898 177.827 176.117 -0.314 0.000 1.085 242 I CA 3.880 64.632 61.300 -0.912 0.000 1.347 242 I CB -0.309 37.162 38.000 -0.883 0.000 1.044 242 I HN -0.168 7.545 8.210 -0.828 0.000 0.408 243 A N -1.266 121.407 122.820 -0.245 0.000 1.969 243 A HA -0.213 4.066 4.320 -0.068 0.000 0.218 243 A C 1.067 178.613 177.584 -0.062 0.000 1.169 243 A CA 2.516 54.486 52.037 -0.112 0.000 0.635 243 A CB -0.396 18.540 19.000 -0.106 0.000 0.810 243 A HN -0.008 7.960 8.150 -0.303 0.000 0.445 244 A N -2.915 119.854 122.820 -0.085 0.000 1.970 244 A HA -0.068 4.240 4.320 -0.019 0.000 0.216 244 A C 0.677 178.280 177.584 0.032 0.000 1.170 244 A CA 1.271 53.289 52.037 -0.032 0.000 0.645 244 A CB 0.430 19.396 19.000 -0.057 0.000 0.816 244 A HN -0.306 7.650 8.150 -0.160 0.098 0.447 245 N N 0.000 118.757 118.700 0.095 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 0.222 0.000 0.885 245 N CB 0.000 38.708 38.487 0.369 0.000 1.341 245 N HN 0.000 8.377 8.380 0.046 0.031 0.667