NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0473 7.8833 121.4519 61.1413 39.0096 175.4564 6 M 3.1469 8.4017 116.8464 55.1561 30.0486 177.1954 7 Q 3.9323 8.2870 124.8090 59.3709 30.0490 177.9624 8 A 4.0105 7.9551 121.2195 55.0347 18.4991 179.3732 9 K 3.9578 7.9935 117.6392 59.7586 32.4149 178.7763 10 E 4.0441 8.8592 119.2207 59.5498 29.3605 179.0688 11 D 4.4084 8.5005 119.2565 57.1922 40.8720 178.6271 12 F 4.0367 8.3529 121.1796 61.2825 39.3612 177.3620 13 K 3.9957 8.1884 118.0816 59.4307 31.7503 179.4569 14 K 4.0879 8.2012 118.7710 59.6487 31.8683 179.0990 15 M 3.9696 7.9409 118.4027 58.8661 31.9535 178.2171 16 M 3.6607 7.4145 117.8230 58.1881 32.0979 178.3796 17 E 4.3472 8.2073 116.7246 59.0483 29.9257 178.2626 18 E 4.3603 7.9045 117.4090 57.3033 29.9643 177.1976 19 A 4.7555 8.1226 119.8197 51.3572 19.0138 176.8113 20 K 4.4968 7.0021 117.7061 56.2292 31.2192 175.1672 21 F 5.1069 7.9581 118.2482 54.1772 41.5854 173.9690 22 N 4.2434 9.0972 117.5215 53.3794 38.3899 174.6061 23 P 4.1297 0.0000 0.0000 64.8330 31.6482 177.2192 24 R 4.3057 7.8611 116.0619 56.4034 30.6340 176.4654 25 A 4.3723 7.9104 121.3524 52.2506 19.2327 177.7319 26 T 4.7787 8.2313 110.9348 60.1802 72.1948 175.8699 27 F 2.7999 8.1159 122.3691 61.1203 39.2788 177.0234 28 S 3.8036 7.9667 114.1826 61.6109 62.5009 176.5431 29 E 3.8628 7.7330 119.9755 59.2647 29.2487 179.1844 30 F 3.7936 8.0894 120.4308 61.1080 39.3454 177.0832 31 A 3.4334 8.0150 120.7222 54.7741 17.7693 179.3715 32 A 3.6165 7.3115 118.3440 55.0055 18.4233 179.5503 33 K 3.7869 7.1745 117.3512 59.3566 32.6485 177.9988 34 H 4.3401 7.3297 113.7454 55.2862 28.6875 176.6375 35 A 2.9586 7.4286 125.3966 54.7739 18.1609 179.2660 36 K 4.1217 7.5970 112.5822 57.7456 32.9871 176.9853 37 D 4.4919 8.2503 120.6307 53.9502 41.4343 177.2451 38 S 4.2540 8.7870 122.0036 61.8333 62.6372 177.1439 39 R 4.1044 8.5104 120.1216 58.6303 30.1708 178.6990 40 F 4.2953 8.1334 120.8195 61.1823 39.3357 177.2443 41 K 4.2130 8.2192 115.4684 59.0391 32.7092 178.2764 42 A 4.2072 7.5297 121.3876 53.6674 18.3553 177.5326 43 I 4.0475 6.6725 117.7697 60.0437 37.8154 175.8100 44 E 3.9353 8.7578 124.4295 58.9828 30.1734 177.4353 45 K 4.1610 7.7486 121.2483 55.4181 32.1929 177.5558 46 M 4.0945 8.5574 125.2001 58.1224 31.8558 178.8530 47 K 3.8383 7.8759 118.3800 59.3632 32.2090 178.6554 48 D 4.2287 7.5975 117.1116 57.2886 41.0664 178.5436 49 R 3.6241 7.5831 118.1040 59.0708 30.1141 178.4967 50 E 3.2446 7.8828 118.9280 58.8263 29.5754 178.6474 51 A 3.9845 8.2248 121.2278 55.2426 18.4614 179.6254 52 L 4.0357 8.0554 117.5282 57.8239 41.7159 179.5082 53 F 4.1588 8.5662 120.7040 61.5287 39.3756 176.9393 54 N 4.4547 8.5574 116.1314 56.3573 38.3613 177.1016 55 E 3.9344 8.4329 120.7749 59.0370 29.7073 178.5897 56 F 3.9481 8.7485 121.0872 61.2446 39.4848 177.2956 57 V 3.2034 7.6992 117.5446 65.8500 31.0893 177.8637 58 A 3.9057 7.6519 119.0925 55.0236 18.2719 179.2084 59 A 3.9539 8.1972 118.5041 55.0805 18.5496 179.4390 60 A 3.6981 7.7134 118.6834 54.9356 18.4273 177.5218 61 R 3.8791 7.5951 120.9563 56.5908 30.1311 175.9268 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 5 I 7.88 4.05 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.92 0.00 0.00 6 M 8.40 3.15 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 7 Q 8.29 3.93 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 8 A 7.96 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.99 3.96 0.00 1.85 1.98 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 10 E 8.86 4.04 0.00 2.18 2.02 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 2.50 2.52 0.00 11 D 8.50 4.41 0.00 2.94 2.77 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 12 F 8.35 4.04 0.00 3.28 3.26 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 13 K 8.19 4.00 0.00 2.07 1.92 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.83 7.81 14 K 8.20 4.09 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 15 M 7.94 3.97 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 16 M 7.41 3.66 0.00 0.76 1.79 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.72 0.00 17 E 8.21 4.35 0.00 2.22 2.21 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 2.63 2.39 0.00 18 E 7.90 4.36 0.00 2.02 2.06 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 2.32 2.42 0.00 19 A 8.12 4.76 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.00 4.50 0.00 1.85 1.79 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.31 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.48 7.81 21 F 7.96 5.11 0.00 3.33 3.37 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 22 N 9.10 4.24 0.00 2.98 2.93 0.00 0.00 6.74 8.13 0.00 0.00 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 P 0.00 4.13 0.00 2.06 1.97 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 24 R 7.86 4.31 0.00 1.88 2.07 0.00 3.23 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 25 A 7.91 4.37 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 F 8.12 2.80 0.00 2.47 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.97 3.80 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.86 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 30 F 8.09 3.79 0.00 3.04 2.77 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 31 A 8.02 3.43 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.31 3.62 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.17 3.79 0.00 1.45 1.50 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.24 7.81 34 H 7.33 4.34 0.00 2.83 3.16 0.00 5.89 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.43 2.96 0.96 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 0.00 0.00 36 K 7.60 4.12 0.00 1.66 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.29 7.81 37 D 8.25 4.49 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.79 4.25 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.51 4.10 0.00 2.03 2.19 0.00 3.22 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 40 F 8.13 4.30 0.00 3.38 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 41 K 8.22 4.21 0.00 2.01 2.06 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.54 7.81 42 A 7.53 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.67 4.05 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.78 0.00 0.00 44 E 8.76 3.94 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 45 K 7.75 4.16 0.00 1.75 1.72 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.40 7.81 46 M 8.56 4.09 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 47 K 7.88 3.84 0.00 1.73 1.79 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.45 7.81 48 D 7.60 4.23 0.00 2.76 2.64 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 49 R 7.58 3.62 0.00 1.84 2.02 0.00 2.65 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.33 0.00 50 E 7.88 3.24 0.00 1.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 51 A 8.22 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.06 4.04 0.00 1.93 1.98 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.57 4.16 0.00 3.51 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.56 4.45 0.00 3.00 2.92 0.00 0.00 6.74 7.32 0.00 0.00 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 E 8.43 3.93 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 56 F 8.75 3.95 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.20 1.93 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 1.00 0.00 0.00 0.52 0.00 0.00 58 A 7.65 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.20 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.71 3.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 3.88 0.00 1.73 1.75 0.00 3.24 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00