NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2455 8.1693 120.6217 54.9598 43.0441 175.6230 2 T 4.3246 8.0234 110.8626 60.2008 71.1789 171.5527 3 Q 4.6049 8.3236 120.7920 54.0140 33.8835 175.0065 4 E 5.2593 8.5277 119.5275 55.0079 33.0320 174.2640 5 T 4.6837 9.0897 119.9346 60.3267 71.3040 172.6534 6 V 4.5546 8.4588 128.3004 61.7455 33.0552 174.1195 7 I 4.6609 8.4463 130.4075 59.6776 39.1028 175.1312 8 N 4.7234 9.0547 125.9609 53.2001 39.6588 174.3528 9 I 4.8969 8.4963 125.0613 59.7791 39.0998 174.6366 10 D 4.7228 9.1542 127.3716 53.3358 43.3106 177.7110 11 G 3.8165 8.9535 108.8869 45.9090 0.0000 173.3671 12 M 4.3896 7.8546 119.2265 54.8384 31.7054 176.0427 13 T 4.1516 8.7102 119.8564 64.4403 68.3282 173.5341 14 C 4.6653 7.4092 113.7252 56.2138 32.2892 173.8054 15 N 4.5373 8.6465 116.0890 55.3608 37.8319 177.4519 16 S 4.1581 8.0895 116.2026 61.5186 62.8766 176.0964 17 C 4.1165 8.0170 119.8976 62.6167 27.9151 175.8858 18 V 3.4659 7.7452 119.1264 66.1787 30.9855 177.4421 19 Q 3.9498 8.1404 119.0504 59.2080 28.8588 178.4902 20 S 4.1198 8.2400 115.2168 61.5830 62.9411 176.3072 21 I 3.6727 7.9433 124.4004 63.8887 36.8415 178.2678 22 E 4.0287 8.3621 118.5005 59.2391 29.0793 179.1937 23 G 3.6262 7.9876 105.8564 47.6217 0.0000 175.4547 24 V 3.7557 7.9641 121.4650 65.7065 31.5903 178.1881 25 I 3.7506 8.0129 119.9246 64.3179 36.7279 178.5161 26 S 4.1401 8.1429 114.2524 61.0640 62.6694 175.9580 27 K 4.2492 7.6751 119.3492 56.0436 32.7336 177.2650 28 K 4.1926 7.6751 120.7770 55.0970 32.6672 174.7120 29 P 4.4306 0.0000 0.0000 64.1448 32.0538 175.6544 30 G 4.1041 9.0169 109.9163 45.5394 0.0000 173.7981 31 V 4.2989 7.2302 118.7323 62.7910 33.6613 172.7939 32 K 4.4480 9.2236 123.9408 56.7064 34.0452 178.8205 33 S 4.5418 9.3028 120.5163 59.0262 65.4677 174.4138 34 I 4.9324 7.9810 120.4443 60.0596 41.2548 174.6942 35 R 4.4758 9.1619 127.2804 54.7467 32.9692 173.7276 36 V 4.6158 8.2242 123.4412 61.3578 33.5901 174.8859 37 S 4.5322 8.7451 120.8480 56.7408 65.7321 174.3982 38 L 3.7869 8.8325 128.9623 58.2725 42.4187 178.4918 39 A 3.9821 8.1519 119.6204 55.3289 18.1953 178.0943 40 N 4.4954 8.0788 109.8464 53.1294 39.7569 175.1712 41 S 3.6945 7.6823 114.5600 58.4820 60.8133 169.7340 42 N 5.2403 7.9343 117.0475 52.2809 41.8717 175.3647 43 G 4.1873 9.1155 105.8806 45.0389 0.0000 172.2038 44 T 4.9052 8.9112 124.8693 62.0886 69.8818 173.9862 45 V 4.5889 8.6059 127.5480 60.8343 34.2225 173.9248 46 E 5.0896 9.1599 129.9391 55.6529 31.0588 174.5226 47 Y 5.3300 8.7745 123.8538 55.9277 42.5804 173.0388 48 D 4.7112 8.6032 120.2944 52.3248 41.8948 175.0688 49 P 4.7780 0.0000 0.0000 65.1097 31.5729 177.9030 50 L 4.1824 7.7660 116.6890 56.9652 41.7337 177.9594 51 L 4.4234 7.9835 116.7876 56.1037 42.8288 175.7234 52 T 4.6571 8.0724 111.5552 59.9985 70.9266 171.7307 53 S 4.6304 8.0030 117.4916 55.0154 67.4436 172.9906 54 P 3.9511 0.0000 0.0000 65.9257 30.8837 178.8460 55 E 3.9503 7.9965 116.7176 59.4612 29.3822 179.3158 56 T 3.8182 7.7831 115.7698 66.5540 68.5803 176.5823 57 L 3.8814 7.7480 120.6516 57.8216 41.6142 179.3345 58 R 3.9654 8.2350 119.0374 59.4933 29.8419 178.4019 59 G 3.6762 8.3301 105.2741 47.9586 0.0000 175.2840 60 A 4.1421 8.1226 123.8958 54.7880 18.4258 179.7374 61 I 3.7285 7.8513 118.2053 64.5882 36.9748 178.2624 62 E 4.2878 8.1523 120.4303 58.8973 29.5123 178.2821 63 D 4.4937 8.2718 118.3678 57.5314 40.9402 178.2729 64 M 4.2530 8.0619 118.4561 59.0145 33.4005 175.8299 65 G 3.3607 6.7821 105.2394 45.2667 0.0000 172.5622 66 F 4.8365 7.4920 118.2477 55.7649 44.9184 175.6189 67 D 4.7370 9.1502 120.9915 54.1158 40.7800 173.6596 68 A 5.1498 8.3158 126.3032 50.4423 20.4652 175.8289 69 T 4.6786 8.6908 116.5987 60.4391 71.3734 173.2552 70 L 4.4816 8.4953 126.8941 54.5674 42.0603 177.2764 71 S 4.2887 8.6253 117.1198 61.3315 63.5755 173.9710 72 D 4.2057 7.7426 123.1192 54.3282 41.0198 174.3058 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 L 8.17 4.25 0.00 1.61 1.62 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.02 4.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 3 Q 8.32 4.60 0.00 1.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 4 E 8.53 5.26 0.00 1.91 1.77 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 2.23 2.41 0.00 5 T 9.09 4.68 4.35 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 1.12 0.00 0.00 6 V 8.46 4.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 7 I 8.45 4.66 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.91 0.00 0.00 8 N 9.05 4.72 0.00 2.75 2.74 0.00 0.00 6.34 7.76 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 9 I 8.50 4.90 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.67 0.00 0.00 10 D 9.15 4.72 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 3.82 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 0.00 0.00 0.00 12 M 7.85 4.39 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.97 0.00 13 T 8.71 4.15 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 14 C 7.41 4.67 0.00 3.11 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 15 N 8.65 4.54 0.00 2.83 2.90 0.00 0.00 6.56 7.56 0.00 0.00 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 S 8.09 4.16 0.00 4.07 4.15 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 0.00 0.00 0.00 17 C 8.02 4.12 0.00 3.02 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.47 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 0.98 0.00 0.00 0.89 0.00 0.00 19 Q 8.14 3.95 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 20 S 8.24 4.12 0.00 4.13 4.15 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 0.00 0.00 0.00 21 I 7.94 3.67 1.82 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.82 0.00 0.00 22 E 8.36 4.03 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.67 0.00 23 G 7.99 3.63 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 0.00 24 V 7.96 3.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 25 I 8.01 3.75 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.52 0.90 0.00 0.00 26 S 8.14 4.14 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.25 0.00 1.93 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.62 7.81 28 K 7.68 4.19 0.00 1.88 1.73 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.52 7.81 29 P 0.00 4.43 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 30 G 9.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 4.30 2.23 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 0.86 0.00 0.00 1.02 0.00 0.00 32 K 9.22 4.45 0.00 1.74 1.40 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.52 7.81 33 S 9.30 4.54 0.00 3.90 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 34 I 7.98 4.93 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.91 0.00 0.00 35 R 9.16 4.48 0.00 1.73 1.79 0.00 3.16 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 36 V 8.22 4.62 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.89 0.00 0.00 37 S 8.75 4.53 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 3.79 0.00 1.73 1.62 0.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.15 3.98 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 40 N 8.08 4.50 0.00 2.86 2.86 0.00 0.00 7.18 7.33 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 41 S 7.68 3.69 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.93 5.24 0.00 2.95 2.87 0.00 0.00 6.66 7.02 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 43 G 9.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.91 4.91 4.35 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 1.23 0.00 0.00 45 V 8.61 4.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.97 0.00 0.00 46 E 9.16 5.09 0.00 2.11 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 2.24 2.32 0.00 47 Y 8.77 5.33 0.00 3.03 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 48 D 8.60 4.71 0.00 2.84 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 49 P 0.00 4.78 0.00 2.08 2.19 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 50 L 7.77 4.18 0.00 1.81 1.74 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.98 4.42 0.00 1.67 1.85 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 4.66 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 53 S 8.00 4.63 0.00 3.92 3.90 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 54 P 0.00 3.95 0.00 2.11 2.06 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 55 E 8.00 3.95 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 56 T 7.78 3.82 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 57 L 7.75 3.88 0.00 1.69 1.61 0.54 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.23 3.97 0.00 1.91 2.07 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 59 G 8.33 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.14 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 61 I 7.85 3.73 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 0.98 0.00 0.00 62 E 8.15 4.29 0.00 2.09 2.16 0.00 0.00 0.00 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 2.23 0.00 63 D 8.27 4.49 0.00 2.86 2.72 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 64 M 8.06 4.25 0.00 2.17 2.51 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 65 G 6.78 3.36 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 0.00 66 F 7.49 4.84 0.00 2.94 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 67 D 9.15 4.74 0.00 2.86 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 68 A 8.32 5.15 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 69 T 8.69 4.68 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 70 L 8.50 4.48 0.00 1.57 1.67 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.63 4.29 0.00 3.89 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.74 4.21 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00