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 1s6h_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 4.165 4.170 -0.008 0.000 0.288 16 I C 0.000 176.082 176.117 -0.059 0.000 1.063 16 I CA 0.000 61.269 61.300 -0.052 0.000 1.566 16 I CB 0.000 37.938 38.000 -0.104 0.000 1.214 17 V N 6.290 126.188 119.914 -0.027 0.000 2.439 17 V HA 0.165 4.422 4.120 -0.046 -0.164 0.282 17 V C 0.822 176.906 176.094 -0.018 0.000 1.039 17 V CA -1.358 60.926 62.300 -0.027 0.000 0.913 17 V CB 0.529 32.345 31.823 -0.011 0.000 0.983 17 V HN 0.898 9.090 8.190 0.003 0.000 0.460 18 G N 6.937 115.721 108.800 -0.028 0.000 2.143 18 G HA2 -0.376 3.566 3.960 -0.030 0.000 0.248 18 G HA3 -0.376 3.749 3.960 -0.047 -0.193 0.248 18 G C -0.860 174.037 174.900 -0.006 0.000 0.991 18 G CA 0.353 45.435 45.100 -0.030 0.000 0.689 18 G HN 0.806 9.076 8.290 -0.033 0.000 0.522 19 G N -0.606 108.186 108.800 -0.013 0.000 2.574 19 G HA2 0.443 4.432 3.960 0.051 0.000 0.248 19 G HA3 0.443 4.395 3.960 -0.142 -0.078 0.248 19 G C -1.871 173.070 174.900 0.067 0.000 1.422 19 G CA -1.439 43.648 45.100 -0.023 0.000 1.051 19 G HN -0.515 7.720 8.290 -0.038 0.032 0.560 20 Y N -6.079 114.201 120.300 -0.034 0.000 2.588 20 Y HA 0.393 4.926 4.550 -0.028 0.000 0.343 20 Y C -1.758 174.124 175.900 -0.030 0.000 1.065 20 Y CA -2.209 55.874 58.100 -0.029 0.000 1.038 20 Y CB 1.643 40.090 38.460 -0.022 0.000 1.297 20 Y HN 0.396 8.323 8.280 -0.590 0.000 0.467 21 T N 4.314 118.923 114.554 0.093 0.000 2.784 21 T HA -0.063 4.363 4.350 -0.074 -0.120 0.291 21 T C 0.040 174.810 174.700 0.116 0.000 0.942 21 T CA 1.335 63.462 62.100 0.045 0.000 1.161 21 T CB -0.231 68.692 68.868 0.091 0.000 0.885 21 T HN 0.016 8.359 8.240 0.172 0.000 0.534 22 c N 7.668 126.255 118.600 -0.023 0.000 2.702 22 c HA -0.223 4.416 4.570 0.116 0.000 0.411 22 c C 0.063 174.191 174.090 0.064 0.000 1.286 22 c CA 0.040 56.386 56.329 0.029 0.000 1.979 22 c CB -0.215 42.241 42.510 -0.089 0.000 2.728 22 c HN 0.185 8.346 8.230 -0.115 0.000 0.652 23 A N 2.987 125.820 122.820 0.021 0.000 2.540 23 A HA -0.136 4.149 4.320 -0.058 0.000 0.239 23 A C -0.273 177.124 177.584 -0.312 0.000 1.061 23 A CA 0.225 52.211 52.037 -0.085 0.000 0.758 23 A CB 0.606 19.581 19.000 -0.042 0.000 0.991 23 A HN 0.411 8.608 8.150 0.078 0.000 0.502 24 A N 4.113 126.611 122.820 -0.537 0.000 2.580 24 A HA -0.315 2.904 4.320 -1.834 0.000 0.244 24 A C -0.518 176.850 177.584 -0.360 0.000 1.045 24 A CA 1.033 52.566 52.037 -0.840 0.000 0.761 24 A CB -0.260 18.433 19.000 -0.510 0.000 0.962 24 A HN 0.452 8.389 8.150 -0.355 0.000 0.512 25 N N -0.608 117.929 118.700 -0.272 0.000 2.753 25 N HA -0.438 4.264 4.740 -0.064 0.000 0.251 25 N C 0.647 176.092 175.510 -0.109 0.000 1.097 25 N CA 1.797 54.781 53.050 -0.111 0.000 0.786 25 N CB -0.926 37.528 38.487 -0.055 0.000 1.137 25 N HN 0.544 8.725 8.380 -0.332 0.000 0.566 26 S N -1.194 114.427 115.700 -0.133 0.000 2.562 26 S HA -0.050 4.384 4.470 -0.060 0.000 0.221 26 S C -0.294 174.238 174.600 -0.113 0.000 0.975 26 S CA 2.549 60.695 58.200 -0.090 0.000 0.918 26 S CB 0.386 63.547 63.200 -0.065 0.000 0.772 26 S HN -0.213 7.946 8.310 -0.180 0.043 0.531 27 I N 2.554 122.994 120.570 -0.217 0.000 2.859 27 I HA 0.424 4.299 4.170 -0.493 0.000 0.296 27 I C -1.598 174.180 176.117 -0.565 0.000 1.300 27 I CA -4.140 56.873 61.300 -0.479 0.000 1.020 27 I CB -1.291 36.415 38.000 -0.490 0.000 1.823 27 I HN -0.240 7.782 8.210 -0.192 0.073 0.599 28 P HA 0.103 4.569 4.420 -0.085 -0.097 0.233 28 P C 0.500 177.760 177.300 -0.067 0.000 1.167 28 P CA 1.578 64.607 63.100 -0.118 0.000 0.770 28 P CB -0.212 31.489 31.700 0.001 0.000 0.837 29 Y N -5.542 114.788 120.300 0.050 0.000 2.511 29 Y HA 0.407 5.130 4.550 0.066 -0.133 0.279 29 Y C -0.425 175.520 175.900 0.074 0.000 1.157 29 Y CA -3.001 55.135 58.100 0.059 0.000 1.300 29 Y CB -1.360 37.128 38.460 0.047 0.000 1.052 29 Y HN -0.371 7.385 8.280 -0.796 0.046 0.529 30 Q N 2.796 122.444 119.800 -0.255 0.000 2.296 30 Q HA 0.260 4.789 4.340 0.078 -0.143 0.262 30 Q C -0.538 175.550 176.000 0.147 0.000 0.981 30 Q CA -0.206 55.572 55.803 -0.042 0.000 0.905 30 Q CB 0.640 29.250 28.738 -0.214 0.000 1.186 30 Q HN -0.484 7.269 8.270 -0.590 0.163 0.399 31 V N -0.342 119.698 119.914 0.210 0.000 2.919 31 V HA 0.780 5.146 4.120 0.232 -0.107 0.316 31 V C -1.473 174.797 176.094 0.294 0.000 1.077 31 V CA -3.607 58.822 62.300 0.216 0.000 0.977 31 V CB 3.186 35.075 31.823 0.110 0.000 1.039 31 V HN 0.375 8.682 8.190 0.196 0.000 0.441 32 S N 1.392 117.161 115.700 0.116 0.000 2.437 32 S HA 0.374 4.956 4.470 0.187 0.000 0.305 32 S C -0.780 173.692 174.600 -0.215 0.000 1.109 32 S CA -1.727 56.455 58.200 -0.030 0.000 1.099 32 S CB 1.447 64.418 63.200 -0.382 0.000 1.004 32 S HN 0.345 8.679 8.310 0.039 0.000 0.475 33 L N 6.732 127.698 121.223 -0.429 0.000 2.276 33 L HA 0.590 4.857 4.340 -0.364 -0.146 0.286 33 L C -1.325 175.092 176.870 -0.755 0.000 1.061 33 L CA -0.869 53.589 54.840 -0.637 0.000 0.807 33 L CB 0.668 42.170 42.059 -0.928 0.000 1.177 33 L HN 0.850 8.777 8.230 -0.505 0.000 0.429 38 G N 1.648 110.421 108.800 -0.044 0.000 2.339 38 G HA2 -0.239 3.688 3.960 -0.056 0.000 0.209 38 G HA3 -0.239 3.690 3.960 -0.052 0.000 0.209 38 G C -1.294 173.577 174.900 -0.047 0.000 1.015 38 G CA -0.072 44.997 45.100 -0.051 0.000 0.635 38 G HN 0.047 8.578 8.290 -0.053 -0.272 0.499 39 S N -0.068 115.618 115.700 -0.024 0.000 2.607 39 S HA 0.168 4.608 4.470 -0.051 0.000 0.273 39 S C -1.808 172.803 174.600 0.019 0.000 1.148 39 S CA -1.541 56.646 58.200 -0.021 0.000 0.833 39 S CB 2.451 65.638 63.200 -0.022 0.000 1.130 39 S HN -0.624 7.511 8.310 0.007 0.179 0.470 40 H N 2.855 121.857 119.070 -0.115 0.000 3.034 40 H HA -0.327 4.232 4.556 -0.240 -0.147 0.324 40 H C -0.256 175.068 175.328 -0.006 0.000 1.015 40 H CA 1.759 57.716 56.048 -0.152 0.000 1.429 40 H CB -0.055 29.579 29.762 -0.214 0.000 1.429 40 H HN 0.576 8.877 8.280 0.036 0.000 0.585 41 F N 1.294 120.848 119.950 -0.661 0.000 2.834 41 F HA 0.367 4.740 4.527 -0.257 0.000 0.332 41 F C -1.713 173.838 175.800 -0.415 0.000 1.056 41 F CA -0.420 57.324 58.000 -0.426 0.000 1.178 41 F CB 1.896 40.758 39.000 -0.230 0.000 1.037 41 F HN 0.218 7.852 8.300 -1.111 0.000 0.580 42 c N -1.954 115.948 118.600 -1.164 0.000 3.306 42 c HA 0.257 4.847 4.570 -0.163 -0.118 0.335 42 c C -1.570 172.296 174.090 -0.374 0.000 1.382 42 c CA -0.018 55.995 56.329 -0.526 0.000 1.254 42 c CB 4.090 46.366 42.510 -0.391 0.000 1.555 42 c HN -0.739 6.459 8.230 -1.721 0.000 0.463 43 G N -0.945 107.846 108.800 -0.015 0.000 2.552 43 G HA2 0.761 5.005 3.960 0.203 0.000 0.318 43 G HA3 0.761 4.839 3.960 0.196 0.000 0.318 43 G C -2.245 172.672 174.900 0.028 0.000 1.240 43 G CA -1.520 43.649 45.100 0.115 0.000 1.002 43 G HN 0.701 8.900 8.290 0.022 0.105 0.493 44 G N -3.758 105.098 108.800 0.092 0.000 2.600 44 G HA2 0.518 4.820 3.960 0.079 0.000 0.293 44 G HA3 0.518 4.515 3.960 0.061 0.000 0.293 44 G C -2.749 172.240 174.900 0.148 0.000 1.408 44 G CA 0.061 45.214 45.100 0.089 0.000 0.782 44 G HN -0.521 7.861 8.290 0.153 0.000 0.482 45 S N -0.519 115.277 115.700 0.159 0.000 2.532 45 S HA 0.819 5.687 4.470 0.286 -0.227 0.299 45 S C -1.314 173.398 174.600 0.186 0.000 1.105 45 S CA -0.965 57.366 58.200 0.217 0.000 1.018 45 S CB 3.738 67.056 63.200 0.196 0.000 1.021 45 S HN 0.583 8.974 8.310 0.134 0.000 0.483 46 L N 6.538 127.887 121.223 0.209 0.000 2.369 46 L HA 0.124 4.682 4.340 0.161 -0.122 0.279 46 L C -1.117 175.846 176.870 0.155 0.000 1.108 46 L CA 0.183 55.128 54.840 0.174 0.000 0.852 46 L CB 0.772 42.929 42.059 0.165 0.000 1.169 46 L HN 0.463 8.744 8.230 0.265 0.108 0.452 47 I N 1.102 121.757 120.570 0.142 0.000 4.240 47 I HA 0.536 4.888 4.170 0.073 -0.138 0.331 47 I C -1.286 174.892 176.117 0.101 0.000 1.381 47 I CA -1.690 59.669 61.300 0.099 0.000 1.136 47 I CB 1.074 39.119 38.000 0.076 0.000 1.137 47 I HN 0.252 8.564 8.210 0.171 0.000 0.411 48 N N -0.274 118.517 118.700 0.153 0.000 2.710 48 N HA 0.150 4.958 4.740 0.113 0.000 0.257 48 N C -0.145 175.463 175.510 0.164 0.000 1.327 48 N CA -0.188 52.959 53.050 0.162 0.000 0.861 48 N CB 2.814 41.441 38.487 0.233 0.000 1.532 48 N HN -0.798 7.690 8.380 0.179 0.000 0.499 49 S N 0.984 116.760 115.700 0.127 0.000 2.420 49 S HA -0.390 4.130 4.470 0.082 0.000 0.237 49 S C 0.599 175.241 174.600 0.070 0.000 1.023 49 S CA 2.724 60.978 58.200 0.091 0.000 0.991 49 S CB 0.066 63.306 63.200 0.068 0.000 0.792 49 S HN 0.586 8.967 8.310 0.118 0.000 0.488 50 Q N -2.469 117.389 119.800 0.097 0.000 2.194 50 Q HA 0.291 4.564 4.340 -0.111 0.000 0.214 50 Q C -1.445 174.388 176.000 -0.278 0.000 0.838 50 Q CA -0.650 55.100 55.803 -0.089 0.000 0.972 50 Q CB 1.843 30.501 28.738 -0.134 0.000 1.131 50 Q HN -0.256 8.446 8.270 0.215 -0.303 0.498 51 W N -1.575 119.732 121.300 0.011 0.000 2.998 51 W HA 0.651 5.538 4.660 0.006 -0.223 0.335 51 W C -1.561 174.973 176.519 0.024 0.000 1.110 51 W CA -0.830 56.519 57.345 0.007 0.000 1.230 51 W CB 3.704 33.155 29.460 -0.015 0.000 1.405 51 W HN -0.191 8.034 8.180 0.279 0.122 0.493 52 V N 1.818 121.887 119.914 0.258 0.000 2.513 52 V HA 0.652 5.057 4.120 0.178 -0.178 0.299 52 V C -1.859 174.360 176.094 0.208 0.000 1.035 52 V CA -1.717 60.694 62.300 0.186 0.000 0.889 52 V CB 3.384 35.272 31.823 0.109 0.000 0.988 52 V HN 0.891 9.214 8.190 0.221 0.000 0.440 53 V N 6.217 126.233 119.914 0.169 0.000 2.483 53 V HA 0.858 5.266 4.120 0.186 -0.176 0.295 53 V C -1.953 174.210 176.094 0.115 0.000 1.035 53 V CA -2.204 60.190 62.300 0.157 0.000 0.896 53 V CB 2.388 34.300 31.823 0.147 0.000 0.986 53 V HN 0.774 9.058 8.190 0.156 0.000 0.447 54 S N 7.151 122.907 115.700 0.093 0.000 2.880 54 S HA 0.498 5.217 4.470 0.040 -0.225 0.308 54 S C -2.153 172.439 174.600 -0.014 0.000 1.195 54 S CA -2.360 55.861 58.200 0.035 0.000 0.866 54 S CB 2.698 65.907 63.200 0.015 0.000 1.254 54 S HN 0.759 9.141 8.310 0.119 0.000 0.571 55 A N -0.797 121.965 122.820 -0.097 0.000 2.301 55 A HA 0.412 4.827 4.320 -0.159 -0.190 0.312 55 A C 0.368 177.786 177.584 -0.277 0.000 1.182 55 A CA -1.496 50.422 52.037 -0.197 0.000 0.826 55 A CB 1.423 20.236 19.000 -0.312 0.000 1.134 55 A HN 0.277 8.363 8.150 -0.107 0.000 0.501 56 A N 6.255 128.822 122.820 -0.422 0.000 2.019 56 A HA -0.250 3.905 4.320 -0.275 0.000 0.219 56 A C 1.235 178.509 177.584 -0.517 0.000 1.164 56 A CA 2.651 54.329 52.037 -0.598 0.000 0.644 56 A CB -0.247 17.973 19.000 -1.301 0.000 0.805 56 A HN 0.562 8.505 8.150 -0.459 -0.069 0.449 57 H N -4.677 114.156 119.070 -0.396 0.000 2.546 57 H HA -0.090 4.524 4.556 0.097 0.000 0.277 57 H C 0.822 176.196 175.328 0.076 0.000 1.004 57 H CA 2.288 58.330 56.048 -0.009 0.000 1.231 57 H CB -0.692 29.158 29.762 0.147 0.000 1.382 57 H HN 0.085 8.487 8.280 -0.377 -0.349 0.580 58 c N -1.085 117.371 118.600 -0.241 0.000 2.522 58 c HA -0.107 4.518 4.570 0.091 0.000 0.271 58 c C -0.215 173.941 174.090 0.109 0.000 1.425 58 c CA 0.669 56.997 56.329 -0.002 0.000 1.751 58 c CB -2.439 40.062 42.510 -0.016 0.000 1.775 58 c HN -0.576 7.247 8.230 -0.396 0.169 0.557 59 Y N 3.208 123.499 120.300 -0.016 0.000 2.811 59 Y HA -0.320 4.244 4.550 0.024 0.000 0.334 59 Y C -0.797 175.064 175.900 -0.065 0.000 1.247 59 Y CA 1.979 60.075 58.100 -0.006 0.000 1.526 59 Y CB 0.428 38.884 38.460 -0.006 0.000 1.284 59 Y HN -0.429 7.773 8.280 0.156 0.172 0.586 60 K N 7.288 127.121 120.400 -0.945 0.000 2.477 60 K HA 0.163 4.056 4.320 -0.711 0.000 0.255 60 K C -1.243 174.675 176.600 -1.137 0.000 0.952 60 K CA -1.552 54.191 56.287 -0.908 0.000 0.826 60 K CB 1.598 33.682 32.500 -0.692 0.000 1.331 60 K HN -0.066 7.604 8.250 -0.966 0.000 0.437 61 S N -1.188 114.125 115.700 -0.644 0.000 2.461 61 S HA -0.218 4.077 4.470 -0.292 0.000 0.228 61 S C -0.315 174.172 174.600 -0.188 0.000 1.005 61 S CA 1.414 59.436 58.200 -0.298 0.000 0.942 61 S CB 0.509 63.698 63.200 -0.019 0.000 0.776 61 S HN 0.301 8.357 8.310 -0.422 0.000 0.514 62 R N 0.089 120.465 120.500 -0.207 0.000 2.561 62 R HA 0.201 4.485 4.340 -0.093 0.000 0.297 62 R C -2.325 173.902 176.300 -0.121 0.000 0.969 62 R CA -0.604 55.420 56.100 -0.128 0.000 0.879 62 R CB 2.488 32.730 30.300 -0.098 0.000 1.178 62 R HN -0.381 7.692 8.270 -0.275 0.033 0.445 63 I N 0.888 121.422 120.570 -0.060 0.000 2.644 63 I HA 0.106 4.321 4.170 0.075 0.000 0.291 63 I C -2.409 173.694 176.117 -0.023 0.000 1.180 63 I CA -0.703 60.604 61.300 0.012 0.000 1.040 63 I CB 4.029 42.061 38.000 0.053 0.000 1.255 63 I HN 0.323 8.498 8.210 -0.059 0.000 0.422 64 Q N 6.167 125.943 119.800 -0.040 0.000 2.290 64 Q HA 0.354 4.650 4.340 -0.073 0.000 0.259 64 Q C -1.660 174.258 176.000 -0.136 0.000 0.941 64 Q CA -1.402 54.344 55.803 -0.096 0.000 0.912 64 Q CB 2.988 31.637 28.738 -0.147 0.000 1.244 64 Q HN 0.736 9.005 8.270 -0.003 0.000 0.441 65 V N 7.782 127.633 119.914 -0.106 0.000 2.432 65 V HA 0.185 4.350 4.120 -0.127 -0.121 0.275 65 V C -1.008 175.030 176.094 -0.093 0.000 1.043 65 V CA -0.407 61.836 62.300 -0.096 0.000 0.925 65 V CB 0.124 31.922 31.823 -0.041 0.000 0.985 65 V HN 0.823 8.863 8.190 -0.075 0.105 0.466 66 R N 7.089 127.510 120.500 -0.132 0.000 2.275 66 R HA 0.500 5.039 4.340 0.083 -0.148 0.326 66 R C -0.980 175.359 176.300 0.065 0.000 0.973 66 R CA -1.147 54.907 56.100 -0.076 0.000 0.854 66 R CB 0.977 31.057 30.300 -0.368 0.000 1.156 66 R HN 0.948 9.128 8.270 -0.149 0.000 0.487 70 E N -0.601 119.735 120.200 0.227 0.000 2.313 70 E HA 0.085 4.557 4.350 0.203 0.000 0.272 70 E C -1.332 175.534 176.600 0.444 0.000 1.038 70 E CA -0.245 56.315 56.400 0.267 0.000 0.863 70 E CB 1.258 31.039 29.700 0.135 0.000 1.060 70 E HN -0.500 7.988 8.360 0.250 0.022 0.402 71 H N 3.425 122.650 119.070 0.259 0.000 2.143 71 H HA 0.091 4.866 4.556 0.366 0.000 0.238 71 H C -0.706 174.837 175.328 0.359 0.000 0.914 71 H CA 1.408 57.632 56.048 0.293 0.000 1.154 71 H CB 3.163 33.008 29.762 0.138 0.000 1.359 71 H HN -0.144 8.545 8.280 0.320 -0.217 0.493 72 N N 0.764 119.525 118.700 0.102 0.000 2.415 72 N HA 0.148 5.312 4.740 -0.028 -0.441 0.246 72 N C 1.889 177.385 175.510 -0.024 0.000 1.078 72 N CA -1.153 51.900 53.050 0.006 0.000 0.942 72 N CB 0.043 38.536 38.487 0.009 0.000 1.140 72 N HN -0.457 8.758 8.380 0.193 -0.719 0.501 73 I N 0.626 121.095 120.570 -0.168 0.000 3.001 73 I HA -0.158 3.993 4.170 -0.274 -0.146 0.268 73 I C -0.416 175.604 176.117 -0.161 0.000 1.267 73 I CA 1.716 62.815 61.300 -0.334 0.000 1.472 73 I CB -0.515 37.020 38.000 -0.775 0.000 1.089 73 I HN 0.345 8.470 8.210 -0.143 0.000 0.468 74 D N -2.285 118.065 120.400 -0.083 0.000 2.369 74 D HA 0.146 4.759 4.640 -0.044 0.000 0.211 74 D C -0.692 175.605 176.300 -0.005 0.000 1.077 74 D CA 0.478 54.455 54.000 -0.039 0.000 0.842 74 D CB 1.834 42.616 40.800 -0.029 0.000 0.947 74 D HN -0.183 8.386 8.370 -0.073 -0.242 0.509 75 V N -0.684 119.235 119.914 0.008 0.000 2.760 75 V HA 0.089 4.220 4.120 0.019 0.000 0.309 75 V C -1.564 174.549 176.094 0.032 0.000 1.077 75 V CA -1.456 60.856 62.300 0.020 0.000 0.910 75 V CB 3.775 35.609 31.823 0.018 0.000 1.008 75 V HN -0.718 7.502 8.190 0.001 -0.029 0.424 76 L N 6.334 127.568 121.223 0.019 0.000 2.433 76 L HA -0.161 4.363 4.340 -0.013 -0.192 0.284 76 L C 0.226 177.088 176.870 -0.014 0.000 1.120 76 L CA 0.539 55.371 54.840 -0.014 0.000 0.879 76 L CB -1.181 40.846 42.059 -0.054 0.000 1.232 76 L HN 0.422 8.662 8.230 0.016 0.000 0.454 77 E N 4.875 125.075 120.200 -0.000 0.000 2.140 77 E HA -0.008 4.352 4.350 0.016 0.000 0.191 77 E C 0.932 177.528 176.600 -0.008 0.000 0.973 77 E CA 0.666 57.074 56.400 0.013 0.000 0.829 77 E CB 0.530 30.260 29.700 0.050 0.000 0.781 77 E HN 0.461 9.269 8.360 0.010 -0.443 0.466 78 G N -2.331 106.449 108.800 -0.032 0.000 2.705 78 G HA2 -0.277 3.637 3.960 -0.077 0.000 0.193 78 G HA3 -0.277 3.663 3.960 -0.034 0.000 0.193 78 G C 0.060 174.930 174.900 -0.050 0.000 1.015 78 G CA 0.224 45.293 45.100 -0.050 0.000 0.743 78 G HN 0.105 8.695 8.290 -0.046 -0.328 0.476 79 N N 0.741 119.428 118.700 -0.021 0.000 2.461 79 N HA -0.009 4.722 4.740 -0.014 0.000 0.188 79 N C -0.681 174.824 175.510 -0.008 0.000 1.134 79 N CA -0.156 52.890 53.050 -0.007 0.000 0.878 79 N CB 0.215 38.713 38.487 0.019 0.000 0.972 79 N HN 0.371 8.749 8.380 -0.002 0.000 0.456 80 E N -1.014 119.160 120.200 -0.044 0.000 2.383 80 E HA 0.128 4.711 4.350 0.067 -0.193 0.264 80 E C -0.027 176.527 176.600 -0.078 0.000 1.050 80 E CA 0.674 57.056 56.400 -0.030 0.000 0.896 80 E CB 0.347 29.979 29.700 -0.113 0.000 0.982 80 E HN -0.391 7.849 8.360 -0.078 0.073 0.424 81 Q N 2.696 122.526 119.800 0.050 0.000 2.310 81 Q HA 0.328 4.647 4.340 -0.034 0.000 0.270 81 Q C -1.418 174.755 176.000 0.289 0.000 1.025 81 Q CA -1.341 54.501 55.803 0.065 0.000 0.772 81 Q CB 3.086 31.859 28.738 0.060 0.000 1.253 81 Q HN 0.519 8.769 8.270 0.146 0.107 0.450 82 F N 4.010 123.948 119.950 -0.021 0.000 2.385 82 F HA 0.717 5.400 4.527 -0.034 -0.176 0.360 82 F C 0.237 176.019 175.800 -0.029 0.000 1.122 82 F CA -3.158 54.825 58.000 -0.029 0.000 1.090 82 F CB 0.726 39.707 39.000 -0.032 0.000 1.150 82 F HN 0.315 8.678 8.300 0.106 0.000 0.472 83 I N 4.219 124.863 120.570 0.124 0.000 2.534 83 I HA 0.127 4.327 4.170 0.050 0.000 0.288 83 I C -1.579 174.537 176.117 -0.002 0.000 1.077 83 I CA -1.126 60.201 61.300 0.046 0.000 1.051 83 I CB 3.572 41.585 38.000 0.022 0.000 1.234 83 I HN 1.015 9.279 8.210 0.090 0.000 0.425 84 N N 6.039 124.731 118.700 -0.014 0.000 2.482 84 N HA 0.039 4.859 4.740 -0.042 -0.105 0.260 84 N C -0.553 174.923 175.510 -0.057 0.000 1.236 84 N CA -0.222 52.806 53.050 -0.036 0.000 0.938 84 N CB 0.954 39.423 38.487 -0.030 0.000 1.128 84 N HN 0.549 8.927 8.380 -0.002 0.000 0.448 85 A N 1.109 123.893 122.820 -0.061 0.000 2.454 85 A HA 0.139 4.537 4.320 -0.106 -0.142 0.260 85 A C -0.744 176.792 177.584 -0.080 0.000 1.106 85 A CA 0.357 52.347 52.037 -0.078 0.000 0.780 85 A CB 0.304 19.272 19.000 -0.055 0.000 1.044 85 A HN 0.243 8.362 8.150 -0.052 0.000 0.498 86 A N 4.560 127.309 122.820 -0.118 0.000 1.956 86 A HA 0.090 4.368 4.320 -0.071 0.000 0.212 86 A C -0.086 177.448 177.584 -0.084 0.000 1.188 86 A CA 1.142 53.117 52.037 -0.103 0.000 0.675 86 A CB 1.515 20.433 19.000 -0.137 0.000 0.845 86 A HN 0.884 8.827 8.150 -0.168 0.107 0.455 87 K N -2.391 117.940 120.400 -0.114 0.000 2.464 87 K HA 0.254 4.580 4.320 0.010 0.000 0.253 87 K C -2.275 174.332 176.600 0.011 0.000 0.933 87 K CA -0.842 55.422 56.287 -0.039 0.000 0.801 87 K CB 3.862 36.341 32.500 -0.035 0.000 1.271 87 K HN -0.764 7.372 8.250 -0.190 0.000 0.430 88 I N 2.533 123.170 120.570 0.112 0.000 2.476 88 I HA 0.539 4.985 4.170 0.179 -0.169 0.281 88 I C -0.859 175.413 176.117 0.258 0.000 1.040 88 I CA -0.822 60.595 61.300 0.195 0.000 1.094 88 I CB 1.657 39.785 38.000 0.213 0.000 1.219 88 I HN 0.236 8.519 8.210 0.122 0.000 0.450 89 I N 8.678 129.413 120.570 0.275 0.000 2.390 89 I HA 0.372 4.673 4.170 0.218 0.000 0.283 89 I C -0.877 175.438 176.117 0.330 0.000 1.016 89 I CA -1.205 60.262 61.300 0.277 0.000 1.151 89 I CB 1.565 39.730 38.000 0.275 0.000 1.293 89 I HN 1.000 9.387 8.210 0.295 0.000 0.458 90 T N 5.163 119.849 114.554 0.220 0.000 2.909 90 T HA 0.030 4.473 4.350 0.154 0.000 0.289 90 T C -0.266 174.533 174.700 0.166 0.000 1.005 90 T CA -1.275 60.914 62.100 0.148 0.000 1.084 90 T CB 1.247 70.115 68.868 0.001 0.000 0.975 90 T HN 0.365 8.691 8.240 0.142 0.000 0.509 91 H N 4.817 123.820 119.070 -0.112 0.000 3.034 91 H HA -0.055 4.177 4.556 -0.540 0.000 0.324 91 H C 0.833 176.113 175.328 -0.080 0.000 1.015 91 H CA 0.992 56.804 56.048 -0.393 0.000 1.429 91 H CB 1.306 30.654 29.762 -0.691 0.000 1.429 91 H HN -0.027 8.238 8.280 -0.024 0.000 0.585 92 P HA -0.118 4.324 4.420 0.036 0.000 0.222 92 P C -0.509 176.858 177.300 0.111 0.000 1.147 92 P CA 1.590 64.681 63.100 -0.015 0.000 0.790 92 P CB 0.417 32.085 31.700 -0.053 0.000 0.780 93 N N -2.602 116.289 118.700 0.318 0.000 2.238 93 N HA 0.069 4.879 4.740 0.116 0.000 0.222 93 N C -0.599 175.020 175.510 0.183 0.000 1.133 93 N CA -0.577 52.614 53.050 0.233 0.000 0.854 93 N CB 0.281 38.891 38.487 0.204 0.000 1.041 93 N HN -0.410 8.360 8.380 0.698 0.029 0.510 94 F N 3.581 123.566 119.950 0.059 0.000 2.623 94 F HA -0.272 4.423 4.527 -0.074 -0.212 0.383 94 F C -0.356 175.426 175.800 -0.030 0.000 1.077 94 F CA 1.293 59.278 58.000 -0.025 0.000 1.268 94 F CB 0.236 39.227 39.000 -0.015 0.000 1.053 94 F HN -0.529 7.830 8.300 0.384 0.171 0.571 95 N N 7.257 125.526 118.700 -0.717 0.000 2.443 95 N HA 0.141 4.533 4.740 -0.580 0.000 0.269 95 N C -0.749 174.122 175.510 -1.064 0.000 0.985 95 N CA -1.030 51.601 53.050 -0.699 0.000 0.921 95 N CB 2.694 40.982 38.487 -0.332 0.000 1.195 95 N HN -0.164 7.945 8.380 -0.452 0.000 0.492 96 G N 4.787 113.016 108.800 -0.952 0.000 2.598 96 G HA2 -0.205 3.278 3.960 -0.795 0.000 0.215 96 G HA3 -0.205 3.497 3.960 -0.431 0.000 0.215 96 G C 0.366 175.052 174.900 -0.357 0.000 1.131 96 G CA 1.261 45.968 45.100 -0.654 0.000 0.785 96 G HN 0.554 8.412 8.290 -0.719 0.000 0.539 97 N N 1.225 119.727 118.700 -0.330 0.000 2.245 97 N HA -0.026 4.581 4.740 -0.221 0.000 0.185 97 N C 1.734 177.057 175.510 -0.311 0.000 1.036 97 N CA 1.796 54.692 53.050 -0.257 0.000 0.857 97 N CB 0.553 38.922 38.487 -0.197 0.000 1.015 97 N HN -0.083 8.302 8.380 -0.362 -0.223 0.436 98 T N -2.337 112.033 114.554 -0.307 0.000 3.067 98 T HA -0.116 4.025 4.350 -0.348 0.000 0.261 98 T C 0.767 175.229 174.700 -0.396 0.000 1.110 98 T CA 0.810 62.719 62.100 -0.317 0.000 1.113 98 T CB 1.302 70.049 68.868 -0.201 0.000 0.917 98 T HN -0.241 8.160 8.240 -0.287 -0.333 0.499 99 L N -3.357 117.666 121.223 -0.333 0.000 4.367 99 L HA -0.505 3.961 4.340 0.036 -0.104 0.424 99 L C -1.619 175.280 176.870 0.047 0.000 1.152 99 L CA 0.797 55.562 54.840 -0.125 0.000 0.974 99 L CB -2.698 39.185 42.059 -0.293 0.000 2.012 99 L HN -0.310 7.658 8.230 -0.362 0.045 0.922 100 D N -1.103 119.281 120.400 -0.027 0.000 2.443 100 D HA -0.205 4.492 4.640 0.094 0.000 0.239 100 D C 0.352 176.706 176.300 0.090 0.000 1.136 100 D CA 1.443 55.468 54.000 0.043 0.000 0.879 100 D CB 1.025 41.817 40.800 -0.013 0.000 1.195 100 D HN -0.653 7.578 8.370 -0.127 0.063 0.443 101 N N -0.080 118.652 118.700 0.054 0.000 2.758 101 N HA -0.514 4.079 4.740 -0.245 0.000 0.248 101 N C -1.411 174.062 175.510 -0.062 0.000 1.076 101 N CA 1.248 54.211 53.050 -0.144 0.000 0.696 101 N CB -1.482 36.762 38.487 -0.405 0.000 0.979 101 N HN 0.469 8.909 8.380 0.099 0.000 0.550 102 D N -0.828 119.582 120.400 0.016 0.000 2.551 102 D HA 0.027 4.530 4.640 -0.229 0.000 0.223 102 D C -1.611 174.546 176.300 -0.238 0.000 1.144 102 D CA -0.220 53.747 54.000 -0.054 0.000 1.025 102 D CB -0.662 40.252 40.800 0.190 0.000 1.085 102 D HN -0.285 8.125 8.370 0.066 0.000 0.506 103 I N 2.928 123.290 120.570 -0.346 0.000 2.775 103 I HA 0.607 4.889 4.170 -0.170 -0.215 0.295 103 I C -3.077 172.971 176.117 -0.115 0.000 1.287 103 I CA -1.230 59.912 61.300 -0.264 0.000 1.029 103 I CB 4.186 41.912 38.000 -0.456 0.000 1.282 103 I HN 0.014 7.962 8.210 -0.383 0.033 0.426 104 M N 6.545 126.195 119.600 0.083 0.000 2.421 104 M HA 0.643 5.483 4.480 0.336 -0.159 0.287 104 M C -2.771 173.719 176.300 0.317 0.000 1.183 104 M CA -0.890 54.546 55.300 0.227 0.000 0.916 104 M CB 4.756 37.415 32.600 0.099 0.000 1.701 104 M HN 0.328 8.664 8.290 0.077 0.000 0.470 105 L N 3.205 124.658 121.223 0.382 0.000 2.334 105 L HA 0.827 5.523 4.340 0.307 -0.172 0.276 105 L C -1.370 175.716 176.870 0.360 0.000 1.014 105 L CA -1.426 53.621 54.840 0.346 0.000 0.815 105 L CB 3.468 45.666 42.059 0.232 0.000 1.268 105 L HN 0.863 9.256 8.230 0.447 0.105 0.428 106 I N 1.318 122.076 120.570 0.313 0.000 2.410 106 I HA 0.517 4.922 4.170 0.087 -0.183 0.286 106 I C -1.545 174.504 176.117 -0.112 0.000 1.009 106 I CA -1.349 60.017 61.300 0.110 0.000 1.111 106 I CB 2.738 40.774 38.000 0.060 0.000 1.262 106 I HN 0.916 9.339 8.210 0.356 0.000 0.443 107 K N 7.807 127.879 120.400 -0.546 0.000 2.258 107 K HA 0.502 4.057 4.320 -1.573 -0.179 0.284 107 K C -0.720 175.562 176.600 -0.530 0.000 1.051 107 K CA -1.378 54.247 56.287 -1.104 0.000 0.923 107 K CB 1.924 33.566 32.500 -1.429 0.000 1.046 107 K HN 0.638 8.566 8.250 -0.354 0.110 0.474 108 L N 6.391 127.350 121.223 -0.441 0.000 2.439 108 L HA -0.125 4.219 4.340 -0.177 -0.110 0.269 108 L C 0.290 177.034 176.870 -0.210 0.000 1.179 108 L CA 0.785 55.483 54.840 -0.238 0.000 0.828 108 L CB 0.292 42.257 42.059 -0.157 0.000 1.106 108 L HN 0.575 8.362 8.230 -0.547 0.115 0.467 109 S N 2.135 117.756 115.700 -0.131 0.000 2.423 109 S HA -0.216 4.184 4.470 -0.115 0.000 0.231 109 S C -0.682 173.871 174.600 -0.078 0.000 1.014 109 S CA 2.795 60.936 58.200 -0.099 0.000 0.965 109 S CB 0.514 63.676 63.200 -0.063 0.000 0.785 109 S HN 0.653 8.900 8.310 -0.105 0.000 0.495 110 S N -2.537 113.124 115.700 -0.066 0.000 2.569 110 S HA 0.289 4.730 4.470 -0.048 0.000 0.280 110 S C -2.778 171.794 174.600 -0.047 0.000 1.111 110 S CA -2.721 55.451 58.200 -0.047 0.000 0.887 110 S CB 1.720 64.905 63.200 -0.024 0.000 1.095 110 S HN -0.767 7.482 8.310 -0.068 0.020 0.476 111 P HA -0.093 4.412 4.420 -0.033 -0.105 0.271 111 P C -1.053 176.246 177.300 -0.001 0.000 1.216 111 P CA -0.284 62.805 63.100 -0.017 0.000 0.776 111 P CB 0.524 32.226 31.700 0.002 0.000 0.881 112 A N 3.591 126.417 122.820 0.010 0.000 2.483 112 A HA -0.059 4.378 4.320 0.024 -0.102 0.238 112 A C 0.084 177.686 177.584 0.029 0.000 1.070 112 A CA 0.009 52.062 52.037 0.027 0.000 0.770 112 A CB 0.990 20.016 19.000 0.043 0.000 1.008 112 A HN 0.601 8.756 8.150 0.009 0.000 0.497 113 T N 4.821 119.391 114.554 0.027 0.000 2.728 113 T HA 0.027 4.391 4.350 0.024 0.000 0.296 113 T C -0.929 173.790 174.700 0.032 0.000 0.940 113 T CA 0.354 62.469 62.100 0.025 0.000 1.013 113 T CB 0.421 69.299 68.868 0.016 0.000 0.912 113 T HN 0.133 8.754 8.240 0.027 -0.365 0.484 114 L N 7.966 129.210 121.223 0.035 0.000 2.305 114 L HA 0.209 4.766 4.340 0.048 -0.188 0.281 114 L C -0.541 176.348 176.870 0.033 0.000 1.085 114 L CA -0.410 54.454 54.840 0.041 0.000 0.813 114 L CB 0.142 42.228 42.059 0.045 0.000 1.157 114 L HN 0.391 8.640 8.230 0.032 0.000 0.436 115 N N 4.863 123.583 118.700 0.034 0.000 3.449 115 N HA 0.190 4.944 4.740 0.025 0.000 0.312 115 N C -0.611 174.917 175.510 0.029 0.000 1.582 115 N CA -0.571 52.495 53.050 0.027 0.000 0.850 115 N CB 0.576 39.075 38.487 0.020 0.000 1.822 115 N HN 0.524 8.928 8.380 0.041 0.000 0.577 116 S N -2.279 113.434 115.700 0.022 0.000 2.423 116 S HA -0.213 4.272 4.470 0.026 0.000 0.231 116 S C 0.578 175.190 174.600 0.019 0.000 1.014 116 S CA 2.911 61.123 58.200 0.020 0.000 0.965 116 S CB -0.155 63.052 63.200 0.012 0.000 0.785 116 S HN 0.266 8.586 8.310 0.017 0.000 0.495 117 R N -1.407 119.104 120.500 0.019 0.000 2.280 117 R HA 0.225 4.568 4.340 0.005 0.000 0.195 117 R C -0.816 175.502 176.300 0.031 0.000 0.935 117 R CA -1.427 54.684 56.100 0.017 0.000 1.033 117 R CB 0.978 31.289 30.300 0.018 0.000 0.964 117 R HN -0.429 8.023 8.270 0.019 -0.170 0.489 118 V N -0.476 119.463 119.914 0.042 0.000 2.488 118 V HA 0.365 4.717 4.120 0.062 -0.195 0.293 118 V C -2.395 173.742 176.094 0.070 0.000 1.027 118 V CA -0.880 61.455 62.300 0.058 0.000 0.862 118 V CB 2.221 34.078 31.823 0.058 0.000 1.008 118 V HN -0.279 8.032 8.190 0.038 -0.098 0.428 119 A N 6.395 129.274 122.820 0.097 0.000 2.572 119 A HA 0.619 4.993 4.320 0.090 0.000 0.295 119 A C -2.925 174.754 177.584 0.158 0.000 1.072 119 A CA -1.093 51.012 52.037 0.113 0.000 0.691 119 A CB 3.091 22.160 19.000 0.115 0.000 1.291 119 A HN 0.199 8.308 8.150 0.107 0.105 0.404 120 T N -1.614 113.016 114.554 0.127 0.000 2.868 120 T HA 0.327 4.968 4.350 0.150 -0.202 0.292 120 T C -0.244 174.516 174.700 0.101 0.000 1.028 120 T CA -1.162 61.011 62.100 0.122 0.000 1.059 120 T CB 1.102 70.019 68.868 0.082 0.000 0.991 120 T HN -0.058 8.241 8.240 0.099 0.000 0.531 121 V N 2.112 122.041 119.914 0.025 0.000 2.581 121 V HA 0.252 4.301 4.120 -0.117 0.000 0.303 121 V C -0.935 175.102 176.094 -0.095 0.000 1.041 121 V CA -2.471 59.742 62.300 -0.145 0.000 0.907 121 V CB 2.800 34.284 31.823 -0.566 0.000 0.994 121 V HN 0.241 8.463 8.190 0.053 0.000 0.442 122 S N 7.473 123.117 115.700 -0.093 0.000 2.560 122 S HA -0.018 4.435 4.470 -0.029 0.000 0.284 122 S C -0.164 174.402 174.600 -0.056 0.000 1.327 122 S CA 0.974 59.142 58.200 -0.054 0.000 1.055 122 S CB 0.448 63.621 63.200 -0.045 0.000 0.868 122 S HN 0.285 8.530 8.310 -0.109 0.000 0.506 123 L N 3.056 124.264 121.223 -0.024 0.000 2.472 123 L HA 0.008 4.343 4.340 -0.008 0.000 0.260 123 L C -1.090 175.775 176.870 -0.008 0.000 1.209 123 L CA -1.466 53.369 54.840 -0.008 0.000 0.817 123 L CB -0.555 41.512 42.059 0.012 0.000 1.106 123 L HN 0.150 8.371 8.230 -0.016 0.000 0.479 124 P HA 0.004 4.545 4.420 -0.012 -0.129 0.271 124 P C -0.994 176.308 177.300 0.002 0.000 1.216 124 P CA -0.366 62.735 63.100 0.001 0.000 0.771 124 P CB 0.323 32.031 31.700 0.012 0.000 0.864 128 c N 1.224 119.823 118.600 -0.001 0.000 2.700 128 c HA 0.014 4.731 4.570 0.005 -0.144 0.397 128 c C 0.615 174.701 174.090 -0.007 0.000 1.301 128 c CA -0.198 56.131 56.329 -0.000 0.000 2.219 128 c CB 0.004 42.514 42.510 0.000 0.000 2.699 128 c HN 0.020 8.248 8.230 -0.003 0.000 0.669 129 A N 1.279 124.092 122.820 -0.011 0.000 2.306 129 A HA 0.096 4.405 4.320 -0.019 0.000 0.314 129 A C -0.922 176.650 177.584 -0.019 0.000 1.164 129 A CA -0.623 51.402 52.037 -0.019 0.000 0.822 129 A CB 1.142 20.124 19.000 -0.030 0.000 1.130 129 A HN 0.190 8.335 8.150 -0.008 0.000 0.496 133 G N 1.976 110.746 108.800 -0.051 0.000 2.199 133 G HA2 -0.372 3.548 3.960 -0.067 0.000 0.254 133 G HA3 -0.372 3.565 3.960 -0.038 0.000 0.254 133 G C 0.042 174.912 174.900 -0.050 0.000 0.982 133 G CA -0.155 44.914 45.100 -0.052 0.000 0.632 133 G HN 0.740 8.881 8.290 -0.062 0.111 0.529 134 T N 3.903 118.428 114.554 -0.049 0.000 2.908 134 T HA -0.189 4.141 4.350 -0.033 0.000 0.301 134 T C -0.951 173.716 174.700 -0.056 0.000 1.019 134 T CA 2.262 64.336 62.100 -0.044 0.000 1.152 134 T CB 0.774 69.617 68.868 -0.043 0.000 0.966 134 T HN -0.480 7.661 8.240 -0.049 0.070 0.540 135 E N 6.066 126.243 120.200 -0.038 0.000 2.338 135 E HA -0.077 4.243 4.350 -0.050 0.000 0.272 135 E C -0.795 175.784 176.600 -0.034 0.000 1.029 135 E CA 0.587 56.968 56.400 -0.032 0.000 0.872 135 E CB 1.164 30.863 29.700 -0.002 0.000 1.015 135 E HN 0.301 8.645 8.360 -0.027 0.000 0.417 136 c N 3.172 121.746 118.600 -0.042 0.000 3.044 136 c HA 0.647 5.322 4.570 -0.034 -0.125 0.315 136 c C -1.714 172.370 174.090 -0.010 0.000 1.320 136 c CA -1.501 54.800 56.329 -0.047 0.000 1.582 136 c CB 3.951 46.395 42.510 -0.110 0.000 2.039 136 c HN 0.755 8.849 8.230 -0.050 0.106 0.466 137 L N 1.047 122.271 121.223 0.002 0.000 2.349 137 L HA 0.799 5.340 4.340 0.048 -0.172 0.278 137 L C -2.245 174.630 176.870 0.008 0.000 0.996 137 L CA -1.246 53.615 54.840 0.035 0.000 0.825 137 L CB 3.213 45.320 42.059 0.079 0.000 1.243 137 L HN 0.737 8.852 8.230 -0.008 0.111 0.412 138 I N 7.182 127.742 120.570 -0.016 0.000 2.493 138 I HA 0.880 5.271 4.170 -0.010 -0.227 0.298 138 I C -1.248 174.836 176.117 -0.054 0.000 0.998 138 I CA -1.657 59.629 61.300 -0.024 0.000 1.137 138 I CB 2.224 40.212 38.000 -0.020 0.000 1.310 138 I HN 0.990 9.196 8.210 -0.007 0.000 0.445 139 S N 2.363 118.029 115.700 -0.056 0.000 2.556 139 S HA 0.939 5.436 4.470 -0.215 -0.156 0.271 139 S C -1.294 173.203 174.600 -0.172 0.000 1.135 139 S CA -1.388 56.710 58.200 -0.169 0.000 0.858 139 S CB 3.609 66.675 63.200 -0.223 0.000 1.114 139 S HN -0.155 8.156 8.310 0.002 0.000 0.468 140 G N -0.608 107.998 108.800 -0.323 0.000 2.316 140 G HA2 0.198 3.973 3.960 -0.308 0.000 0.296 140 G HA3 0.198 4.293 3.960 -0.044 -0.162 0.296 140 G C -2.200 172.482 174.900 -0.363 0.000 1.399 140 G CA 0.564 45.506 45.100 -0.263 0.000 0.833 140 G HN 0.270 8.297 8.290 -0.438 0.000 0.565 141 W N 0.873 122.102 121.300 -0.119 0.000 3.151 141 W HA 0.310 4.869 4.660 -0.168 0.000 0.424 141 W C -0.163 176.320 176.519 -0.059 0.000 1.012 141 W CA -0.878 56.331 57.345 -0.228 0.000 2.018 141 W CB 0.241 29.355 29.460 -0.577 0.000 1.087 141 W HN 0.612 8.985 8.180 0.323 0.000 0.740 142 G N 0.882 109.802 108.800 0.199 0.000 2.611 142 G HA2 -0.089 4.176 3.960 0.460 0.000 0.273 142 G HA3 -0.089 4.115 3.960 0.168 -0.143 0.273 142 G C -0.928 173.872 174.900 -0.165 0.000 1.305 142 G CA -0.681 44.537 45.100 0.196 0.000 1.010 142 G HN -0.187 8.437 8.290 0.126 -0.259 0.509 143 N N -1.050 117.380 118.700 -0.449 0.000 2.412 143 N HA -0.293 3.869 4.740 -1.284 -0.193 0.254 143 N C 0.621 175.946 175.510 -0.310 0.000 1.232 143 N CA 0.830 53.446 53.050 -0.722 0.000 0.880 143 N CB 0.695 38.879 38.487 -0.505 0.000 1.076 143 N HN 0.013 8.284 8.380 -0.182 0.000 0.458 144 T N -0.442 113.947 114.554 -0.274 0.000 3.054 144 T HA 0.235 4.622 4.350 -0.119 -0.108 0.255 144 T C 0.395 175.032 174.700 -0.104 0.000 1.035 144 T CA -0.041 61.971 62.100 -0.146 0.000 0.941 144 T CB 0.993 69.790 68.868 -0.117 0.000 1.026 144 T HN 0.526 8.552 8.240 -0.356 0.000 0.533 145 K N 2.634 122.966 120.400 -0.113 0.000 2.164 145 K HA 0.263 4.553 4.320 -0.049 0.000 0.258 145 K C 0.278 176.851 176.600 -0.045 0.000 0.951 145 K CA -1.742 54.507 56.287 -0.065 0.000 0.844 145 K CB 1.669 34.135 32.500 -0.056 0.000 1.099 145 K HN -0.349 8.147 8.250 -0.169 -0.348 0.435 146 S N 2.248 117.934 115.700 -0.024 0.000 2.501 146 S HA -0.079 4.386 4.470 -0.008 0.000 0.220 146 S C -0.547 174.051 174.600 -0.004 0.000 0.997 146 S CA 1.243 59.437 58.200 -0.009 0.000 0.919 146 S CB 0.919 64.118 63.200 -0.002 0.000 0.778 146 S HN 0.279 8.575 8.310 -0.023 0.000 0.523 147 S N 0.639 116.335 115.700 -0.006 0.000 2.594 147 S HA 0.164 4.636 4.470 0.003 0.000 0.296 147 S C -0.014 174.586 174.600 0.000 0.000 1.124 147 S CA 0.155 58.355 58.200 0.001 0.000 1.011 147 S CB 2.438 65.640 63.200 0.004 0.000 1.016 147 S HN -0.601 7.666 8.310 -0.011 0.037 0.485 148 G N 4.829 113.634 108.800 0.008 0.000 2.539 148 G HA2 -0.197 3.779 3.960 0.027 0.000 0.256 148 G HA3 -0.197 3.773 3.960 0.016 0.000 0.256 148 G C -1.831 173.078 174.900 0.014 0.000 1.233 148 G CA -0.216 44.894 45.100 0.017 0.000 0.936 148 G HN 0.157 8.453 8.290 0.010 0.000 0.571 149 S N 0.176 115.890 115.700 0.023 0.000 2.626 149 S HA 0.039 4.682 4.470 -0.035 -0.194 0.275 149 S C -1.885 172.734 174.600 0.032 0.000 1.175 149 S CA -0.427 57.796 58.200 0.038 0.000 0.982 149 S CB 1.093 64.383 63.200 0.150 0.000 1.093 149 S HN 0.073 8.402 8.310 0.030 0.000 0.472 150 S N 6.228 121.872 115.700 -0.093 0.000 2.614 150 S HA 0.259 4.787 4.470 0.095 0.000 0.275 150 S C -2.324 172.140 174.600 -0.226 0.000 1.161 150 S CA -0.030 58.145 58.200 -0.042 0.000 0.969 150 S CB 1.814 64.990 63.200 -0.040 0.000 1.059 150 S HN 0.230 8.713 8.310 -0.267 -0.334 0.482 151 Y N 5.617 125.938 120.300 0.034 0.000 2.342 151 Y HA 0.255 4.836 4.550 0.052 0.000 0.338 151 Y C -1.455 174.466 175.900 0.035 0.000 0.965 151 Y CA -3.146 54.980 58.100 0.044 0.000 1.159 151 Y CB 0.898 39.391 38.460 0.055 0.000 1.157 151 Y HN 0.140 8.597 8.280 0.295 0.000 0.486 152 P HA 0.152 4.607 4.420 0.059 0.000 0.276 152 P C -0.820 176.562 177.300 0.137 0.000 1.244 152 P CA -0.929 62.226 63.100 0.091 0.000 0.801 152 P CB 1.372 33.094 31.700 0.038 0.000 1.006 153 S N -1.646 114.103 115.700 0.082 0.000 2.406 153 S HA -0.008 4.601 4.470 0.035 -0.118 0.224 153 S C -0.388 174.285 174.600 0.123 0.000 1.030 153 S CA 2.360 60.596 58.200 0.060 0.000 0.958 153 S CB 0.887 64.094 63.200 0.012 0.000 0.811 153 S HN 0.310 8.649 8.310 0.049 0.000 0.489 154 L N -0.465 120.777 121.223 0.032 0.000 2.322 154 L HA 0.393 4.745 4.340 -0.313 -0.199 0.279 154 L C -0.219 176.534 176.870 -0.195 0.000 1.036 154 L CA -1.400 53.326 54.840 -0.190 0.000 0.807 154 L CB 1.769 43.643 42.059 -0.309 0.000 1.226 154 L HN -0.691 7.543 8.230 0.007 0.000 0.433 155 L N 2.898 123.900 121.223 -0.367 0.000 2.525 155 L HA -0.138 3.228 4.340 -1.624 0.000 0.278 155 L C -1.068 175.528 176.870 -0.457 0.000 1.218 155 L CA 0.808 55.155 54.840 -0.823 0.000 0.878 155 L CB 0.793 42.425 42.059 -0.711 0.000 1.127 155 L HN -0.217 7.799 8.230 -0.357 0.000 0.492 156 Q N 4.853 124.352 119.800 -0.501 0.000 2.235 156 Q HA 0.546 4.838 4.340 -0.341 -0.157 0.256 156 Q C -0.929 174.808 176.000 -0.439 0.000 0.951 156 Q CA -1.766 53.807 55.803 -0.383 0.000 0.890 156 Q CB 2.376 30.945 28.738 -0.281 0.000 1.279 156 Q HN -0.068 7.808 8.270 -0.656 0.000 0.444 157 c N 0.467 118.708 118.600 -0.597 0.000 2.779 157 c HA 0.988 5.507 4.570 -0.399 -0.189 0.314 157 c C -1.832 171.844 174.090 -0.690 0.000 1.231 157 c CA -0.889 55.041 56.329 -0.666 0.000 1.652 157 c CB 4.194 46.164 42.510 -0.901 0.000 2.198 157 c HN 0.871 8.672 8.230 -0.715 0.000 0.483 158 L N 0.163 121.217 121.223 -0.281 0.000 2.543 158 L HA 0.376 4.753 4.340 0.062 0.000 0.265 158 L C -2.517 174.426 176.870 0.123 0.000 0.945 158 L CA 0.194 55.025 54.840 -0.015 0.000 0.869 158 L CB 4.344 46.420 42.059 0.028 0.000 1.294 158 L HN 0.628 8.744 8.230 -0.190 0.000 0.405 159 K N 6.835 127.387 120.400 0.252 0.000 2.227 159 K HA 0.734 5.352 4.320 0.148 -0.209 0.280 159 K C -0.947 175.814 176.600 0.268 0.000 1.041 159 K CA -1.251 55.165 56.287 0.215 0.000 0.905 159 K CB 0.418 33.045 32.500 0.213 0.000 1.068 159 K HN 0.292 8.741 8.250 0.332 0.000 0.470 160 A N 3.599 126.489 122.820 0.116 0.000 2.589 160 A HA 0.496 4.805 4.320 -0.018 0.000 0.296 160 A C -3.584 173.883 177.584 -0.194 0.000 1.062 160 A CA -1.783 50.227 52.037 -0.044 0.000 0.686 160 A CB 2.737 21.717 19.000 -0.034 0.000 1.282 160 A HN 0.667 8.846 8.150 0.049 0.000 0.404 161 P HA 0.625 5.164 4.420 -0.151 -0.209 0.287 161 P C -0.794 176.369 177.300 -0.228 0.000 1.270 161 P CA -1.607 61.354 63.100 -0.231 0.000 0.844 161 P CB 1.264 32.832 31.700 -0.219 0.000 1.068 162 V N 1.366 121.187 119.914 -0.154 0.000 2.540 162 V HA -0.193 3.967 4.120 -0.131 -0.119 0.297 162 V C 0.406 176.437 176.094 -0.104 0.000 1.024 162 V CA 1.715 63.943 62.300 -0.120 0.000 1.105 162 V CB -0.909 30.863 31.823 -0.084 0.000 0.938 162 V HN 0.276 8.390 8.190 -0.125 0.000 0.482 163 L N 7.090 128.261 121.223 -0.085 0.000 2.421 163 L HA 0.206 4.500 4.340 -0.077 0.000 0.263 163 L C -0.277 176.573 176.870 -0.033 0.000 1.122 163 L CA -1.024 53.778 54.840 -0.063 0.000 0.804 163 L CB 0.195 42.225 42.059 -0.049 0.000 1.150 163 L HN 0.370 8.448 8.230 -0.077 0.106 0.457 164 S N 0.033 115.719 115.700 -0.024 0.000 2.563 164 S HA -0.191 4.272 4.470 -0.011 0.000 0.284 164 S C 0.787 175.389 174.600 0.003 0.000 1.331 164 S CA -0.668 57.526 58.200 -0.010 0.000 1.047 164 S CB 1.311 64.506 63.200 -0.008 0.000 0.859 164 S HN 0.098 8.391 8.310 -0.028 0.000 0.514 165 D N 2.400 122.805 120.400 0.009 0.000 2.190 165 D HA -0.339 4.318 4.640 0.029 0.000 0.200 165 D C 2.042 178.358 176.300 0.027 0.000 0.992 165 D CA 3.311 57.325 54.000 0.022 0.000 0.854 165 D CB -0.761 40.052 40.800 0.020 0.000 0.936 165 D HN 0.553 8.926 8.370 0.005 0.000 0.462 166 S N -1.294 114.416 115.700 0.017 0.000 2.345 166 S HA -0.220 4.262 4.470 0.021 0.000 0.220 166 S C 2.001 176.611 174.600 0.017 0.000 1.031 166 S CA 3.143 61.352 58.200 0.017 0.000 0.996 166 S CB -0.203 63.002 63.200 0.008 0.000 0.882 166 S HN -0.282 8.015 8.310 0.011 0.019 0.445 167 S N 3.208 118.914 115.700 0.010 0.000 2.382 167 S HA -0.253 4.215 4.470 -0.002 0.000 0.228 167 S C 2.367 176.978 174.600 0.018 0.000 1.027 167 S CA 3.415 61.617 58.200 0.004 0.000 0.991 167 S CB -0.598 62.599 63.200 -0.005 0.000 0.823 167 S HN -0.208 8.105 8.310 0.006 0.000 0.469 168 c N 2.353 120.977 118.600 0.040 0.000 2.436 168 c HA -0.270 4.366 4.570 0.109 0.000 0.277 168 c C 2.223 176.390 174.090 0.128 0.000 1.241 168 c CA 2.610 58.992 56.329 0.089 0.000 1.721 168 c CB -1.813 40.737 42.510 0.067 0.000 2.043 168 c HN -0.052 8.179 8.230 0.030 0.017 0.472 169 K N -1.037 119.417 120.400 0.090 0.000 2.155 169 K HA -0.295 4.116 4.320 0.152 0.000 0.203 169 K C 2.188 178.831 176.600 0.072 0.000 1.052 169 K CA 2.901 59.248 56.287 0.101 0.000 0.948 169 K CB 0.160 32.702 32.500 0.070 0.000 0.728 169 K HN 0.130 8.233 8.250 0.063 0.184 0.448 170 S N -0.995 114.723 115.700 0.030 0.000 2.402 170 S HA -0.169 4.303 4.470 0.003 0.000 0.229 170 S C 1.621 176.191 174.600 -0.049 0.000 1.021 170 S CA 3.120 61.317 58.200 -0.004 0.000 0.974 170 S CB -0.421 62.771 63.200 -0.014 0.000 0.800 170 S HN 0.060 8.387 8.310 0.028 0.000 0.484 171 S N 1.380 117.030 115.700 -0.084 0.000 2.406 171 S HA -0.102 4.201 4.470 -0.278 0.000 0.228 171 S C -1.221 173.093 174.600 -0.476 0.000 1.020 171 S CA 3.531 61.548 58.200 -0.305 0.000 0.965 171 S CB 1.160 64.126 63.200 -0.390 0.000 0.798 171 S HN -0.765 7.417 8.310 -0.022 0.115 0.488 172 Y N -1.156 119.158 120.300 0.024 0.000 2.584 172 Y HA 0.393 4.980 4.550 0.062 0.000 0.358 172 Y C -2.864 173.083 175.900 0.078 0.000 1.028 172 Y CA -2.942 55.206 58.100 0.079 0.000 1.148 172 Y CB 0.577 39.139 38.460 0.169 0.000 1.126 172 Y HN -0.719 7.550 8.280 0.134 0.092 0.658 173 P HA -0.112 4.479 4.420 0.081 -0.123 0.261 173 P C 0.646 178.006 177.300 0.099 0.000 1.183 173 P CA 1.137 64.290 63.100 0.087 0.000 0.761 173 P CB 0.060 31.782 31.700 0.037 0.000 0.785 174 G N 4.230 113.082 108.800 0.088 0.000 2.189 174 G HA2 -0.378 3.616 3.960 0.056 0.000 0.267 174 G HA3 -0.378 3.611 3.960 0.048 0.000 0.267 174 G C 0.208 175.158 174.900 0.083 0.000 0.975 174 G CA 0.799 45.940 45.100 0.069 0.000 0.644 174 G HN 0.545 8.884 8.290 0.081 0.000 0.537 175 Q N -2.303 117.588 119.800 0.151 0.000 2.246 175 Q HA 0.100 4.479 4.340 0.065 0.000 0.222 175 Q C -0.551 175.599 176.000 0.250 0.000 0.851 175 Q CA -0.412 55.493 55.803 0.170 0.000 0.945 175 Q CB 1.550 30.447 28.738 0.264 0.000 1.122 175 Q HN -0.239 8.090 8.270 0.196 0.059 0.508 176 I N 0.862 121.567 120.570 0.224 0.000 2.304 176 I HA 0.116 4.449 4.170 0.270 0.000 0.291 176 I C -0.656 175.540 176.117 0.131 0.000 1.018 176 I CA -2.674 58.746 61.300 0.201 0.000 1.260 176 I CB -1.339 36.754 38.000 0.155 0.000 1.390 176 I HN -0.440 7.884 8.210 0.191 0.000 0.475 177 T N 2.660 117.292 114.554 0.129 0.000 2.810 177 T HA 0.183 4.570 4.350 0.061 0.000 0.277 177 T C 1.652 176.395 174.700 0.072 0.000 0.973 177 T CA -1.674 60.474 62.100 0.081 0.000 0.949 177 T CB 1.932 70.841 68.868 0.069 0.000 1.075 177 T HN -0.537 7.808 8.240 0.176 0.000 0.537 178 G N -1.175 107.652 108.800 0.044 0.000 2.559 178 G HA2 -0.185 3.794 3.960 0.032 0.000 0.216 178 G HA3 -0.185 3.781 3.960 0.010 0.000 0.216 178 G C 0.088 175.010 174.900 0.036 0.000 1.126 178 G CA 1.341 46.459 45.100 0.029 0.000 0.778 178 G HN 0.460 8.769 8.290 0.032 0.000 0.543 179 N N -0.371 118.371 118.700 0.069 0.000 2.279 179 N HA 0.109 4.904 4.740 0.092 0.000 0.226 179 N C -1.464 174.152 175.510 0.176 0.000 1.126 179 N CA -0.223 52.902 53.050 0.125 0.000 0.846 179 N CB 0.564 39.157 38.487 0.176 0.000 1.050 179 N HN -0.506 7.857 8.380 0.073 0.060 0.502 180 M N -1.411 118.269 119.600 0.134 0.000 2.501 180 M HA 0.759 5.533 4.480 0.148 -0.205 0.293 180 M C -2.081 174.272 176.300 0.088 0.000 1.192 180 M CA -0.362 55.015 55.300 0.129 0.000 0.886 180 M CB 5.141 37.830 32.600 0.148 0.000 1.710 180 M HN -0.793 7.476 8.290 0.103 0.083 0.457 181 I N -7.521 113.101 120.570 0.087 0.000 2.785 181 I HA 0.614 4.813 4.170 0.049 0.000 0.302 181 I C -2.445 173.724 176.117 0.086 0.000 1.069 181 I CA -2.708 58.634 61.300 0.070 0.000 1.045 181 I CB 3.629 41.664 38.000 0.058 0.000 1.236 181 I HN 0.534 8.813 8.210 0.114 0.000 0.429 182 c N 2.672 121.307 118.600 0.058 0.000 2.358 182 c HA 0.821 5.683 4.570 0.141 -0.207 0.342 182 c C -0.364 173.762 174.090 0.059 0.000 1.234 182 c CA -0.653 55.728 56.329 0.087 0.000 1.969 182 c CB 0.661 43.202 42.510 0.052 0.000 2.346 182 c HN 0.829 9.081 8.230 0.036 0.000 0.525 183 V N 4.137 124.114 119.914 0.104 0.000 2.443 183 V HA 0.443 4.640 4.120 -0.148 -0.165 0.272 183 V C -1.992 174.070 176.094 -0.052 0.000 1.002 183 V CA -0.375 61.859 62.300 -0.110 0.000 0.840 183 V CB 0.981 32.559 31.823 -0.409 0.000 1.042 183 V HN 0.227 8.611 8.190 0.323 0.000 0.446 184 F N 3.321 123.297 119.950 0.044 0.000 2.426 184 F HA 0.354 4.894 4.527 0.022 0.000 0.348 184 F C 0.664 176.479 175.800 0.025 0.000 1.124 184 F CA -0.837 57.181 58.000 0.029 0.000 1.008 184 F CB 1.776 40.793 39.000 0.027 0.000 1.139 184 F HN 0.298 8.753 8.300 0.259 0.000 0.452 185 L N 3.661 124.980 121.223 0.160 0.000 2.201 185 L HA -0.322 4.058 4.340 0.067 0.000 0.212 185 L C 1.248 178.176 176.870 0.097 0.000 1.105 185 L CA 2.728 57.623 54.840 0.091 0.000 0.775 185 L CB -0.566 41.519 42.059 0.045 0.000 0.913 185 L HN 0.549 8.862 8.230 0.140 0.000 0.440 186 E N -2.723 117.554 120.200 0.129 0.000 2.347 186 E HA -0.130 4.253 4.350 0.055 0.000 0.196 186 E C 0.270 176.907 176.600 0.062 0.000 1.008 186 E CA 0.491 56.938 56.400 0.078 0.000 0.852 186 E CB -0.354 29.386 29.700 0.068 0.000 0.783 186 E HN 0.170 8.618 8.360 0.196 0.030 0.505 187 G N -0.883 107.972 108.800 0.092 0.000 3.115 187 G HA2 -0.322 3.744 3.960 0.087 0.000 0.291 187 G HA3 -0.322 3.667 3.960 0.048 0.000 0.291 187 G C -0.570 174.340 174.900 0.016 0.000 1.012 187 G CA 0.092 45.230 45.100 0.064 0.000 0.929 187 G HN -0.575 7.776 8.290 0.153 0.030 0.413 188 K N 0.337 120.731 120.400 -0.010 0.000 5.472 188 K HA -0.521 4.043 4.320 -0.005 -0.247 0.892 188 K C -1.832 174.880 176.600 0.188 0.000 1.918 188 K CA 0.252 56.547 56.287 0.013 0.000 1.518 188 K CB -0.156 32.209 32.500 -0.225 0.000 2.620 188 K HN 0.223 8.498 8.250 0.041 0.000 0.228 189 D N 1.347 121.831 120.400 0.140 0.000 2.694 189 D HA 0.280 5.060 4.640 0.233 0.000 0.260 189 D C -1.758 174.618 176.300 0.127 0.000 1.250 189 D CA -0.735 53.367 54.000 0.170 0.000 0.763 189 D CB 4.039 44.924 40.800 0.142 0.000 1.311 189 D HN 0.279 8.699 8.370 0.084 0.000 0.420 190 S N -0.596 115.201 115.700 0.162 0.000 2.634 190 S HA 0.221 4.835 4.470 0.089 -0.091 0.261 190 S C -1.165 173.484 174.600 0.081 0.000 1.271 190 S CA 0.032 58.307 58.200 0.125 0.000 0.985 190 S CB 1.039 64.357 63.200 0.197 0.000 0.968 190 S HN 0.155 8.595 8.310 0.218 0.000 0.568 191 c N -1.292 117.353 118.600 0.075 0.000 3.214 191 c HA 0.180 4.790 4.570 0.068 0.000 0.378 191 c C -1.282 172.881 174.090 0.121 0.000 2.231 191 c CA -0.472 55.900 56.329 0.071 0.000 1.192 191 c CB 2.559 45.086 42.510 0.029 0.000 2.621 191 c HN 0.523 9.108 8.230 0.087 -0.303 0.433 192 Q N 1.321 121.207 119.800 0.144 0.000 2.286 192 Q HA -0.138 4.337 4.340 0.225 0.000 0.290 192 Q C 1.385 177.587 176.000 0.335 0.000 1.049 192 Q CA 2.013 57.956 55.803 0.233 0.000 0.923 192 Q CB -0.151 28.741 28.738 0.257 0.000 1.183 192 Q HN 0.542 8.877 8.270 0.108 0.000 0.383 193 G N 4.595 113.603 108.800 0.348 0.000 2.225 193 G HA2 -0.482 3.842 3.960 0.327 0.000 0.254 193 G HA3 -0.482 3.830 3.960 0.587 0.000 0.254 193 G C 0.789 175.930 174.900 0.401 0.000 0.988 193 G CA 1.294 46.645 45.100 0.418 0.000 0.625 193 G HN 0.764 9.232 8.290 0.297 0.000 0.527 194 D N 1.154 121.719 120.400 0.275 0.000 2.305 194 D HA 0.011 4.795 4.640 0.240 0.000 0.206 194 D C 0.408 176.819 176.300 0.185 0.000 0.974 194 D CA 1.283 55.412 54.000 0.214 0.000 0.871 194 D CB 0.195 41.086 40.800 0.151 0.000 0.947 194 D HN 0.366 8.694 8.370 0.243 0.188 0.516 195 S N -0.833 114.980 115.700 0.188 0.000 2.599 195 S HA -0.547 4.178 4.470 0.183 -0.145 0.303 195 S C 0.941 175.561 174.600 0.033 0.000 1.267 195 S CA 3.294 61.581 58.200 0.144 0.000 1.055 195 S CB -0.006 63.320 63.200 0.210 0.000 0.790 195 S HN -0.638 7.780 8.310 0.224 0.025 0.500 196 G N 4.353 113.157 108.800 0.007 0.000 2.253 196 G HA2 -0.463 3.553 3.960 -0.029 0.000 0.251 196 G HA3 -0.463 3.588 3.960 -0.054 -0.123 0.251 196 G C -0.158 174.782 174.900 0.065 0.000 0.998 196 G CA 0.366 45.462 45.100 -0.008 0.000 0.621 196 G HN 0.885 9.094 8.290 0.049 0.110 0.524 197 G N 0.783 109.649 108.800 0.109 0.000 2.621 197 G HA2 0.371 4.478 3.960 0.132 0.000 0.271 197 G HA3 0.371 4.413 3.960 0.136 0.000 0.271 197 G C -2.713 172.278 174.900 0.152 0.000 1.236 197 G CA -1.974 43.206 45.100 0.134 0.000 0.958 197 G HN -0.343 7.928 8.290 0.118 0.090 0.512 198 P HA 0.321 4.924 4.420 0.126 -0.108 0.286 198 P C -1.491 175.865 177.300 0.093 0.000 1.261 198 P CA -0.821 62.373 63.100 0.156 0.000 0.821 198 P CB 1.955 33.837 31.700 0.303 0.000 1.013 199 V N 1.991 121.914 119.914 0.015 0.000 2.326 199 V HA 0.281 4.523 4.120 -0.084 -0.172 0.281 199 V C -1.336 174.713 176.094 -0.075 0.000 1.015 199 V CA -0.916 61.328 62.300 -0.093 0.000 0.823 199 V CB 1.342 32.998 31.823 -0.280 0.000 1.009 199 V HN -0.079 8.126 8.190 0.024 0.000 0.436 200 V N 7.886 127.768 119.914 -0.054 0.000 2.417 200 V HA 0.485 4.734 4.120 -0.117 -0.199 0.291 200 V C -1.294 174.765 176.094 -0.058 0.000 1.024 200 V CA -1.267 60.981 62.300 -0.086 0.000 0.861 200 V CB 2.567 34.308 31.823 -0.137 0.000 0.985 200 V HN 0.583 8.766 8.190 -0.013 0.000 0.436 201 c N 7.513 126.074 118.600 -0.066 0.000 2.364 201 c HA 0.621 5.284 4.570 -0.038 -0.116 0.324 201 c C -0.009 174.056 174.090 -0.041 0.000 1.234 201 c CA -1.594 54.706 56.329 -0.049 0.000 1.417 201 c CB 1.404 43.880 42.510 -0.058 0.000 2.101 201 c HN 0.943 9.126 8.230 -0.079 0.000 0.466 202 N N 5.893 124.578 118.700 -0.026 0.000 2.705 202 N HA -0.431 4.302 4.740 -0.012 0.000 0.255 202 N C -0.173 175.320 175.510 -0.029 0.000 1.008 202 N CA 1.229 54.267 53.050 -0.021 0.000 0.742 202 N CB -0.908 37.568 38.487 -0.019 0.000 0.906 202 N HN 0.872 9.241 8.380 -0.018 0.000 0.541 203 G N -7.627 101.150 108.800 -0.037 0.000 2.162 203 G HA2 -0.472 3.456 3.960 -0.054 0.000 0.260 203 G HA3 -0.472 3.468 3.960 -0.033 0.000 0.260 203 G C -1.476 173.372 174.900 -0.086 0.000 0.976 203 G CA 0.105 45.175 45.100 -0.051 0.000 0.655 203 G HN 0.218 8.490 8.290 -0.030 0.000 0.533 210 Q N 0.689 120.468 119.800 -0.035 0.000 2.391 210 Q HA 0.167 4.516 4.340 0.015 0.000 0.211 210 Q C -0.104 175.907 176.000 0.019 0.000 0.908 210 Q CA 0.317 56.114 55.803 -0.009 0.000 0.920 210 Q CB 2.176 30.894 28.738 -0.034 0.000 1.056 210 Q HN 0.306 8.539 8.270 -0.061 0.000 0.523 211 G N -2.769 106.034 108.800 0.005 0.000 2.612 211 G HA2 0.567 4.859 3.960 0.120 0.000 0.298 211 G HA3 0.567 4.522 3.960 -0.009 0.000 0.298 211 G C -3.188 171.786 174.900 0.123 0.000 1.336 211 G CA -0.690 44.450 45.100 0.065 0.000 0.953 211 G HN -0.441 7.839 8.290 -0.017 0.000 0.482 212 I N 0.870 121.568 120.570 0.213 0.000 2.436 212 I HA 0.530 5.015 4.170 0.180 -0.207 0.289 212 I C -0.310 175.989 176.117 0.303 0.000 1.010 212 I CA -1.459 59.962 61.300 0.201 0.000 1.098 212 I CB 3.993 42.052 38.000 0.098 0.000 1.266 212 I HN -0.324 8.114 8.210 0.256 -0.075 0.434 213 V N 8.160 128.258 119.914 0.306 0.000 2.539 213 V HA -0.268 3.854 4.120 0.004 0.000 0.300 213 V C -0.965 175.184 176.094 0.092 0.000 1.019 213 V CA 2.494 64.898 62.300 0.174 0.000 1.160 213 V CB -1.038 30.907 31.823 0.204 0.000 0.901 213 V HN 0.439 8.778 8.190 0.249 0.000 0.481 214 S N 8.002 123.675 115.700 -0.046 0.000 3.334 214 S HA 0.412 5.215 4.470 0.406 -0.090 0.224 214 S C -1.418 173.320 174.600 0.230 0.000 0.959 214 S CA 0.412 58.736 58.200 0.206 0.000 0.815 214 S CB 2.829 66.149 63.200 0.201 0.000 0.861 214 S HN -0.081 7.978 8.310 -0.419 0.000 0.596 215 W N -3.167 118.010 121.300 -0.204 0.000 2.923 215 W HA 0.285 4.845 4.660 -0.166 0.000 0.373 215 W C -2.869 173.524 176.519 -0.210 0.000 1.205 215 W CA -0.942 56.286 57.345 -0.196 0.000 1.180 215 W CB 1.775 31.123 29.460 -0.186 0.000 1.477 215 W HN 0.173 8.134 8.180 -0.365 0.000 0.581 216 G N -3.145 105.758 108.800 0.171 0.000 2.348 216 G HA2 0.140 3.875 3.960 -0.377 0.000 0.296 216 G HA3 0.140 4.109 3.960 0.015 0.000 0.296 216 G C -3.015 172.164 174.900 0.465 0.000 1.258 216 G CA 0.218 45.355 45.100 0.063 0.000 0.868 216 G HN -0.015 8.561 8.290 0.477 0.000 0.488 220 c N 0.694 119.317 118.600 0.039 0.000 3.362 220 c HA 0.303 5.032 4.570 0.090 -0.106 0.276 220 c C -1.663 172.465 174.090 0.065 0.000 1.102 220 c CA -2.149 54.218 56.329 0.064 0.000 1.361 220 c CB -1.013 41.526 42.510 0.050 0.000 1.822 220 c HN 0.128 8.372 8.230 0.023 0.000 0.538 221 Q N 0.048 119.900 119.800 0.088 0.000 2.944 221 Q HA 0.059 4.438 4.340 0.066 0.000 0.247 221 Q C -1.663 174.381 176.000 0.073 0.000 0.985 221 Q CA 0.014 55.868 55.803 0.084 0.000 0.872 221 Q CB 3.456 32.266 28.738 0.121 0.000 2.052 221 Q HN 0.257 8.590 8.270 0.106 0.000 0.515 222 K N 2.842 123.274 120.400 0.053 0.000 2.489 222 K HA -0.285 4.195 4.320 0.046 -0.132 0.278 222 K C 0.117 176.725 176.600 0.012 0.000 1.000 222 K CA 1.192 57.501 56.287 0.036 0.000 1.012 222 K CB -0.080 32.434 32.500 0.024 0.000 0.903 222 K HN 0.344 8.624 8.250 0.051 0.000 0.485 223 N N -2.683 116.015 118.700 -0.004 0.000 2.714 223 N HA -0.467 4.245 4.740 -0.047 0.000 0.250 223 N C -1.766 173.653 175.510 -0.151 0.000 1.117 223 N CA 1.806 54.818 53.050 -0.064 0.000 0.719 223 N CB -0.759 37.681 38.487 -0.079 0.000 1.081 223 N HN 0.869 9.145 8.380 0.021 0.116 0.557 224 K N -1.997 118.361 120.400 -0.070 0.000 2.954 224 K HA 0.529 4.604 4.320 -0.408 0.000 0.171 224 K C -2.425 174.253 176.600 0.132 0.000 1.079 224 K CA -3.575 52.673 56.287 -0.064 0.000 0.908 224 K CB 0.145 32.698 32.500 0.089 0.000 1.142 224 K HN -0.744 7.468 8.250 0.010 0.044 0.613 225 P HA -0.000 4.510 4.420 0.150 0.000 0.272 225 P C 0.186 177.574 177.300 0.148 0.000 1.240 225 P CA -0.390 62.802 63.100 0.153 0.000 0.791 225 P CB 0.891 32.656 31.700 0.108 0.000 0.978 226 G N -1.458 107.412 108.800 0.116 0.000 2.432 226 G HA2 0.029 3.867 3.960 -0.203 0.000 0.239 226 G HA3 0.029 4.088 3.960 0.047 -0.071 0.239 226 G C -1.403 173.341 174.900 -0.259 0.000 1.291 226 G CA 0.062 45.116 45.100 -0.077 0.000 0.863 226 G HN -0.015 8.423 8.290 0.186 -0.035 0.560 227 V N 4.257 123.692 119.914 -0.798 0.000 2.459 227 V HA 0.520 4.547 4.120 -0.415 -0.155 0.295 227 V C -0.996 174.552 176.094 -0.910 0.000 1.029 227 V CA -1.111 60.667 62.300 -0.869 0.000 0.874 227 V CB 1.807 32.593 31.823 -1.728 0.000 0.985 227 V HN 0.446 8.111 8.190 -0.875 0.000 0.438 228 Y N 5.697 125.881 120.300 -0.194 0.000 2.477 228 Y HA 0.586 5.281 4.550 -0.016 -0.154 0.347 228 Y C 0.185 176.095 175.900 0.016 0.000 0.981 228 Y CA -2.139 55.931 58.100 -0.050 0.000 1.033 228 Y CB 4.269 42.709 38.460 -0.032 0.000 1.245 228 Y HN 1.098 9.376 8.280 -0.004 0.000 0.455 229 T N 5.475 120.138 114.554 0.182 0.000 2.928 229 T HA -0.105 4.478 4.350 0.164 -0.135 0.305 229 T C -0.456 174.355 174.700 0.184 0.000 1.035 229 T CA 2.397 64.585 62.100 0.147 0.000 1.145 229 T CB 0.385 69.272 68.868 0.031 0.000 0.963 229 T HN 0.437 8.783 8.240 0.176 0.000 0.545 230 K N 8.308 128.851 120.400 0.237 0.000 2.150 230 K HA 0.140 4.670 4.320 0.156 -0.116 0.261 230 K C 1.315 178.093 176.600 0.297 0.000 1.127 230 K CA -0.893 55.522 56.287 0.213 0.000 0.989 230 K CB -0.474 32.119 32.500 0.156 0.000 1.475 230 K HN 0.310 8.608 8.250 0.258 0.107 0.391 231 V N 5.277 125.333 119.914 0.236 0.000 2.469 231 V HA -0.526 3.835 4.120 0.402 0.000 0.251 231 V C 1.199 177.434 176.094 0.235 0.000 1.064 231 V CA 3.635 66.094 62.300 0.266 0.000 1.066 231 V CB -0.100 31.813 31.823 0.150 0.000 0.667 231 V HN 0.246 8.535 8.190 0.166 0.000 0.461 232 c N -4.615 114.062 118.600 0.129 0.000 2.449 232 c HA -0.098 4.512 4.570 0.066 0.000 0.283 232 c C 1.082 175.184 174.090 0.020 0.000 1.453 232 c CA 0.274 56.641 56.329 0.064 0.000 1.779 232 c CB -2.227 40.301 42.510 0.030 0.000 1.779 232 c HN 0.518 8.781 8.230 0.114 0.035 0.546 233 N N 0.556 119.238 118.700 -0.031 0.000 2.336 233 N HA 0.020 4.659 4.740 -0.169 0.000 0.189 233 N C -0.002 175.263 175.510 -0.407 0.000 1.113 233 N CA 0.574 53.466 53.050 -0.264 0.000 0.858 233 N CB 0.130 38.337 38.487 -0.467 0.000 0.970 233 N HN -0.157 8.214 8.380 0.061 0.045 0.471 234 Y N -3.686 116.675 120.300 0.102 0.000 2.557 234 Y HA 0.125 4.812 4.550 0.228 0.000 0.247 234 Y C 0.327 176.352 175.900 0.207 0.000 1.164 234 Y CA -0.481 57.737 58.100 0.195 0.000 1.218 234 Y CB 0.692 39.287 38.460 0.225 0.000 1.210 234 Y HN -0.174 8.056 8.280 0.206 0.173 0.529 235 V N 1.017 121.053 119.914 0.202 0.000 2.407 235 V HA -0.502 3.699 4.120 0.135 0.000 0.248 235 V C 1.592 177.744 176.094 0.097 0.000 1.055 235 V CA 4.554 66.931 62.300 0.128 0.000 1.049 235 V CB -0.694 31.169 31.823 0.067 0.000 0.662 235 V HN -0.179 8.089 8.190 0.130 0.000 0.455 236 N N -0.425 118.338 118.700 0.105 0.000 2.142 236 N HA -0.261 4.495 4.740 0.027 0.000 0.186 236 N C 1.699 177.279 175.510 0.117 0.000 1.023 236 N CA 3.202 56.299 53.050 0.079 0.000 0.852 236 N CB -0.577 37.956 38.487 0.077 0.000 0.998 236 N HN 0.081 8.524 8.380 0.104 0.000 0.424 237 W N 1.123 122.462 121.300 0.066 0.000 2.358 237 W HA -0.172 4.506 4.660 0.031 0.000 0.303 237 W C 1.510 178.034 176.519 0.009 0.000 1.208 237 W CA 3.539 60.931 57.345 0.078 0.000 1.274 237 W CB -0.041 29.564 29.460 0.242 0.000 1.138 237 W HN -0.312 8.116 8.180 0.413 0.000 0.515 238 I N -0.922 119.627 120.570 -0.034 0.000 2.179 238 I HA -0.711 3.048 4.170 -0.685 0.000 0.242 238 I C 2.010 177.871 176.117 -0.426 0.000 1.088 238 I CA 4.356 65.460 61.300 -0.326 0.000 1.357 238 I CB -0.303 37.666 38.000 -0.052 0.000 1.051 238 I HN 0.265 8.636 8.210 0.268 0.000 0.409 239 Q N -0.645 119.012 119.800 -0.239 0.000 2.119 239 Q HA -0.344 3.830 4.340 -0.276 0.000 0.201 239 Q C 2.625 178.462 176.000 -0.271 0.000 0.972 239 Q CA 3.372 59.036 55.803 -0.232 0.000 0.847 239 Q CB -0.436 28.232 28.738 -0.117 0.000 0.903 239 Q HN -0.001 8.197 8.270 -0.119 0.000 0.433 240 Q N -0.634 119.016 119.800 -0.250 0.000 2.119 240 Q HA -0.282 3.956 4.340 -0.169 0.000 0.201 240 Q C 2.567 178.364 176.000 -0.338 0.000 0.972 240 Q CA 3.221 58.888 55.803 -0.227 0.000 0.847 240 Q CB 0.155 28.805 28.738 -0.148 0.000 0.903 240 Q HN 0.275 8.422 8.270 -0.205 0.000 0.433 241 T N 3.149 117.361 114.554 -0.570 0.000 2.812 241 T HA -0.342 3.737 4.350 -0.452 0.000 0.264 241 T C 1.902 176.181 174.700 -0.703 0.000 1.042 241 T CA 4.808 66.511 62.100 -0.661 0.000 1.140 241 T CB -0.080 68.163 68.868 -1.043 0.000 0.870 241 T HN -0.210 7.626 8.240 -0.672 0.000 0.445 242 I N 1.201 121.226 120.570 -0.909 0.000 2.163 242 I HA -0.524 2.701 4.170 -1.575 0.000 0.243 242 I C 2.137 178.039 176.117 -0.358 0.000 1.085 242 I CA 4.177 64.894 61.300 -0.971 0.000 1.347 242 I CB -0.376 37.078 38.000 -0.910 0.000 1.044 242 I HN -0.095 7.612 8.210 -0.838 0.000 0.408 243 A N -0.601 122.059 122.820 -0.266 0.000 1.969 243 A HA -0.232 4.041 4.320 -0.080 0.000 0.218 243 A C 0.712 178.254 177.584 -0.070 0.000 1.169 243 A CA 2.500 54.464 52.037 -0.123 0.000 0.635 243 A CB -0.360 18.574 19.000 -0.110 0.000 0.810 243 A HN -0.021 7.938 8.150 -0.318 0.000 0.445 244 A N -4.908 117.853 122.820 -0.099 0.000 2.132 244 A HA 0.036 4.340 4.320 -0.027 0.000 0.213 244 A C -0.275 177.318 177.584 0.015 0.000 1.154 244 A CA 0.696 52.705 52.037 -0.047 0.000 0.753 244 A CB 0.758 19.713 19.000 -0.076 0.000 0.826 244 A HN -0.294 7.642 8.150 -0.178 0.107 0.469 245 N N 0.000 118.744 118.700 0.073 0.000 1.763 245 N HA 0.000 4.824 4.740 0.140 0.000 0.220 245 N CA 0.000 53.177 53.050 0.212 0.000 0.885 245 N CB 0.000 38.692 38.487 0.341 0.000 1.341 245 N HN 0.000 8.390 8.380 0.016 0.000 0.667