NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9938 8.3393 109.7384 45.7675 0.0000 172.8201 2 S 4.4231 8.2988 120.3882 56.9264 65.1546 173.5596 3 S 4.1422 8.2137 116.4598 57.7695 63.6169 173.7462 4 G 3.5856 8.4570 117.4969 47.7633 0.0000 173.5830 5 S 4.2234 8.3422 113.4058 57.5460 63.8795 172.9923 6 S 4.4397 8.0801 119.8558 57.3227 64.7609 175.6621 7 G 3.2094 8.4051 112.2644 45.7603 0.0000 173.2462 8 Q 4.6752 7.8886 120.3239 52.9415 32.7788 174.5000 9 C 4.5238 8.4063 122.8167 58.8543 32.0668 174.3672 10 G 3.9462 9.5478 116.1143 48.9010 0.0000 174.2788 11 A 4.0727 8.2397 122.0292 54.5363 18.8172 177.2304 12 C 4.5247 8.3305 107.3156 59.8244 31.6307 175.8741 13 G 4.4744 8.1858 107.0931 44.7948 0.0000 172.6546 14 E 4.2984 7.9822 118.4824 55.1417 31.0636 176.5204 15 S 4.3277 8.2276 114.0674 57.9512 63.0004 173.8317 16 Y 4.0485 8.4847 126.4260 57.5073 36.7464 173.8484 17 A 4.8439 8.6117 127.5093 50.0268 21.7921 176.9224 18 A 4.5953 8.4738 126.4657 52.2651 18.6487 176.4195 19 D 4.6890 8.0070 120.8931 56.1696 43.5633 175.5199 20 E 4.0952 8.2727 116.2244 56.5378 30.2448 176.1309 21 F 5.0610 8.5333 122.4283 57.1241 40.3380 174.6362 22 W 4.9370 9.2000 126.4453 55.6622 30.6671 175.9592 23 I 4.5677 8.0945 115.8669 59.6319 39.6570 174.6889 24 C 4.8120 8.7055 120.3904 58.2259 30.6276 173.6380 25 C 4.8564 8.4471 123.7441 57.5766 32.9701 173.0014 26 D 4.5397 8.3640 121.6503 55.7228 41.5835 177.2754 27 L 4.0609 7.3459 118.3851 56.7672 42.1251 177.5710 28 C 4.2062 7.8555 115.6695 58.2825 31.0589 173.4513 29 E 4.0686 7.9006 117.6015 56.4591 26.3140 173.1993 30 M 3.6347 7.5947 117.8114 53.9130 34.5280 173.6321 31 W 4.7331 6.8605 115.9873 54.9217 30.5286 175.2667 32 F 5.0861 8.6396 121.8234 56.4872 43.9994 172.3625 33 H 4.7129 8.4173 115.5747 54.0494 31.0747 175.4674 34 G 3.6454 8.4812 113.3365 48.8289 0.0000 175.6893 35 K 4.0223 8.0670 119.4721 59.3477 32.7368 178.9415 36 C 4.0953 7.8604 116.1208 62.3731 28.1954 174.5251 37 V 4.0257 8.1419 111.0805 60.6129 31.2453 175.9927 38 K 3.8504 7.5617 117.3883 57.4544 29.4970 175.8509 39 I 4.6189 8.0965 117.6508 58.9454 41.7437 176.3914 40 T 4.4894 8.2261 114.3933 60.3835 71.3337 174.2990 41 P 3.2164 0.0000 0.0000 64.7719 31.5766 177.7605 42 A 4.2286 7.6442 120.2664 54.1948 19.4407 179.0674 43 R 3.9280 7.9411 116.6365 59.4181 30.0599 178.4600 44 A 4.0491 7.7430 120.3371 55.3976 18.0447 179.1528 45 E 3.8623 7.4612 114.6632 60.2172 29.7456 179.1289 46 H 4.4272 8.6425 113.3241 56.2379 29.3094 175.4484 47 I 4.3132 7.4079 122.6526 59.8549 38.1374 175.7432 48 K 4.3508 8.0844 123.2451 55.5238 34.2544 175.9469 49 Q 3.6893 8.8080 125.0329 56.6914 24.6884 173.7964 50 Y 4.2160 7.6183 119.0778 57.4584 39.9588 174.9207 51 K 3.8305 7.4378 126.8122 54.6244 31.2239 176.5073 52 C 3.9831 8.0408 121.6050 57.5942 31.4772 172.9392 53 P 4.3157 0.0000 0.0000 65.4447 30.7891 178.5917 54 S 4.0904 7.6219 112.4808 60.9233 62.5831 174.9606 55 C 4.2980 7.7957 118.6236 62.4279 28.3981 175.7432 56 S 3.9416 7.5657 113.3300 61.5357 61.9928 175.5802 57 N 4.3442 7.5235 117.3921 55.6968 39.1710 175.3939 58 K 3.7130 7.7942 118.0237 58.1733 32.6886 176.1560 59 S 3.6757 8.5853 115.1878 59.2484 60.5203 172.1680 60 G 4.0594 7.5257 106.8045 43.3105 0.0000 174.0399 61 P 4.0995 0.0000 0.0000 64.8666 31.6984 177.6896 62 S 4.4236 7.9298 112.2277 59.7092 63.9899 174.6465 63 S 4.3937 7.6926 117.4947 57.4217 66.4267 174.5581 64 G 3.7411 8.7049 113.8546 45.7130 0.0000 172.9907 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.30 4.42 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.21 4.14 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.34 4.22 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.08 4.44 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.89 4.68 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 9 C 8.41 4.52 0.00 2.61 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.55 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.24 4.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.33 4.52 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.98 4.30 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.11 0.00 15 S 8.23 4.33 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.48 4.05 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.61 4.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.47 4.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.01 4.69 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.27 4.10 0.00 1.89 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 21 F 8.53 5.06 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 9.20 4.94 0.00 3.12 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.09 4.57 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.63 0.00 0.00 24 C 8.71 4.81 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.45 4.86 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.36 4.54 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.35 4.06 0.00 1.62 1.59 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.86 4.21 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.90 4.07 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 30 M 7.59 3.63 0.00 0.92 1.79 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 31 W 6.86 4.73 0.00 3.43 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.64 5.09 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.42 4.71 0.00 2.83 2.75 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.48 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.07 4.02 0.00 1.89 2.09 0.00 1.41 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 36 C 7.86 4.10 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.14 4.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 38 K 7.56 3.85 0.00 1.82 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81 39 I 8.10 4.62 1.89 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.27 1.05 0.00 0.00 40 T 8.23 4.49 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 P 0.00 3.22 0.00 2.08 2.23 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 42 A 7.64 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.94 3.93 0.00 1.88 1.92 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 44 A 7.74 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.46 3.86 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 46 H 8.64 4.43 0.00 3.06 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.41 4.31 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 1.07 0.00 0.00 48 K 8.08 4.35 0.00 1.71 1.76 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.53 7.81 49 Q 8.81 3.69 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 50 Y 7.62 4.22 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.44 3.83 0.00 1.52 1.33 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.26 7.81 52 C 8.04 3.98 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.32 0.00 2.18 2.33 0.00 3.40 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 54 S 7.62 4.09 0.00 3.58 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.80 4.30 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.57 3.94 0.00 3.78 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.52 4.34 0.00 2.85 2.80 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.79 3.71 0.00 1.81 1.76 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.51 7.81 59 S 8.59 3.68 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.53 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.10 0.00 2.19 2.19 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 62 S 7.93 4.42 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.69 4.39 0.00 3.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00