NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1170 7.8833 121.0510 62.1676 39.3967 174.5277 2 V 4.9762 8.6569 126.7550 60.0633 38.2045 175.0064 3 C 4.7355 10.3301 123.8781 55.7952 44.8948 173.2468 4 H 5.1337 8.4911 117.8596 54.6376 29.8982 173.5412 5 T 4.2501 7.6759 114.8473 61.3776 71.7156 173.8700 6 T 4.6089 8.4205 115.9342 63.4789 68.3316 174.0685 7 A 4.0278 8.7796 121.0346 55.2100 15.5730 176.1216 8 T 3.2853 8.3551 117.5596 64.1600 66.2656 174.3346 9 I 3.1768 7.3793 129.3412 61.0321 34.9514 175.0513 10 P 4.1147 0.0000 0.0000 64.9080 31.3056 174.4948 11 S 4.2882 8.9693 118.2019 58.9224 63.1846 171.5031 12 S 4.4732 8.4033 117.4983 58.4159 64.4020 177.2243 13 A 3.0720 7.8859 125.6914 52.0351 16.8743 183.9675 14 V 2.7173 8.5175 112.2947 60.1649 35.1236 172.8879 15 T 3.4692 7.7087 111.8250 68.3413 67.4004 170.2094 16 C 4.4470 7.1735 114.9402 54.6254 47.0716 172.1135 17 P 4.7811 0.0000 0.0000 61.9520 31.2176 173.8932 18 P 4.8414 0.0000 0.0000 61.6287 31.3320 178.1144 19 G 3.5963 9.3151 109.3246 44.8923 0.0000 172.4163 20 E 4.1494 10.2365 122.3092 57.0013 29.2552 175.2502 21 N 4.4898 8.5306 117.8714 52.0225 38.2565 175.3841 22 L 3.4458 8.3645 121.5539 55.9849 42.3033 174.0494 23 C 4.9856 8.1736 115.1419 55.8564 45.5020 174.0115 24 Y 4.5168 8.7276 122.8450 56.3118 38.2895 174.4089 25 R 4.4505 8.4858 125.5198 55.9511 31.3353 175.5869 26 K 4.1211 8.4674 121.6048 57.3520 35.5590 173.2870 27 M 2.9247 9.0490 124.8562 53.4889 33.3931 176.0388 28 W 4.8062 7.6518 135.0000 58.6820 30.2900 176.0647 29 C 4.2900 7.2493 117.8987 58.9695 43.6714 178.4498 30 D 3.6001 7.2734 115.5734 53.2720 41.7490 175.0825 31 A 5.6003 6.4782 135.0000 53.3813 21.0466 178.0151 32 F 4.9350 6.2495 113.6643 55.9243 38.0828 174.7005 33 C 4.5298 7.9404 131.7321 57.2460 39.9301 174.2233 34 S 4.8547 7.4265 107.2491 59.3298 63.8611 173.2060 35 S 4.2108 7.9568 114.1044 59.4537 64.2171 172.2767 36 R 3.2596 8.6690 119.6532 58.4026 29.1469 176.8311 37 G 2.5428 7.4158 106.5668 45.2800 0.0000 172.9006 38 K 4.6379 7.1038 129.7052 55.8798 33.0866 177.9441 39 V 4.3009 7.2917 111.6664 59.7433 33.3174 175.6889 40 V 4.4264 7.9774 117.8183 59.2662 34.3362 174.5484 41 E 4.7379 9.1900 119.2502 54.0715 32.8538 174.2323 42 L 5.5074 6.5854 132.4744 56.6143 40.8856 172.5298 43 G 3.4381 7.4011 105.5335 44.3014 0.0000 173.0308 44 C 5.7605 7.6746 121.0732 55.2802 46.2321 172.3265 45 A 5.2037 8.3406 132.4416 53.4985 22.2919 177.0185 46 A 4.1127 8.6897 126.2846 52.7505 15.0390 181.2541 47 T 4.3336 8.3776 109.7041 66.9945 67.7658 175.4044 48 C 4.0433 8.1683 124.9784 61.5956 42.0688 173.7259 49 P 3.6604 0.0000 0.0000 64.2968 31.9592 176.5556 50 S 4.7842 8.1130 114.6198 54.8732 61.6450 173.1261 51 K 4.5052 7.2275 122.1717 54.9825 33.7753 173.0830 52 K 4.8544 8.0215 126.8085 55.6926 34.9904 173.3584 53 P 4.4595 0.0000 0.0000 65.7963 31.9180 174.9936 54 Y 4.3539 7.6385 116.0569 53.1057 40.9494 178.7115 55 E 4.5019 8.2444 118.4788 55.7692 31.5969 180.2016 56 E 3.7542 8.9510 129.9053 57.6825 29.8823 174.9425 57 V 3.9959 8.6995 125.1580 63.8110 34.7321 173.1857 58 T 3.8803 7.6578 110.7242 63.6179 71.5947 173.6481 59 C 5.0377 7.7706 114.1597 56.2763 45.6752 178.2186 60 C 4.6184 7.9400 127.4937 56.4512 39.3535 173.4910 61 S 4.5063 8.5414 120.8190 59.8374 62.1599 172.6236 62 T 4.3606 8.6944 107.8771 60.3021 69.1994 175.2575 63 D 5.2642 6.6167 128.5181 53.4673 40.8634 178.6536 64 K 4.8819 7.9534 124.4311 57.2823 34.0528 178.4179 65 C 6.1740 8.0293 124.8665 57.8518 40.7597 173.9402 66 N 4.5832 7.5642 115.3867 54.2408 38.8180 174.6583 67 H 3.7280 6.9795 113.8309 53.0234 28.9843 171.7305 68 P 4.8114 0.0000 0.0000 60.8986 33.1885 172.1319 69 P 3.9166 0.0000 0.0000 58.9420 36.2434 178.2910 70 K 3.5175 9.5415 120.6047 56.4462 31.6773 179.8771 71 R 4.0606 10.2644 128.7575 56.8661 28.4291 174.8288 72 Q 4.4210 8.5479 115.6498 56.4211 32.5704 175.2898 73 P 4.1973 0.0000 0.0000 62.0982 29.1461 175.9950 74 G 3.6600 7.7315 111.6669 46.3033 0.0000 171.9509 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 I 7.88 4.12 1.86 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 1.26 0.91 0.00 0.00 2 V 8.66 4.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 3 C 10.33 4.74 0.00 2.99 3.19 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 4 H 8.49 5.13 0.00 2.94 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.68 4.25 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 1.31 0.00 0.00 6 T 8.42 4.61 4.31 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 1.16 0.00 0.00 7 A 8.78 4.03 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 8 T 8.36 3.29 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 1.22 0.00 0.00 9 I 7.38 3.18 1.86 0.00 0.00 0.86 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 0.53 0.91 0.00 0.00 10 P 0.00 4.11 0.00 2.02 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 11 S 8.97 4.29 0.00 3.98 3.98 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 12 S 8.40 4.47 0.00 3.82 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 13 A 7.89 3.07 -0.07 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 0.00 0.00 14 V 8.52 2.72 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 15 T 7.71 3.47 4.24 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 1.40 0.00 0.00 16 C 7.17 4.45 0.00 3.19 3.33 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 17 P 0.00 4.78 0.00 2.22 1.80 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 18 P 0.00 4.84 0.00 2.20 1.49 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 19 G 9.32 3.60 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 0.00 0.00 0.00 20 E 10.24 4.15 0.00 2.04 2.20 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 2.12 2.14 0.00 21 N 8.53 4.49 0.00 2.94 3.18 0.00 0.00 6.96 7.67 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 22 L 8.36 3.45 0.00 1.77 1.71 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.17 4.99 0.00 2.83 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.73 4.52 0.00 3.01 3.13 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 0.00 0.00 0.00 0.00 25 R 8.49 4.45 0.00 1.83 1.86 0.00 3.21 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 26 K 8.47 4.12 0.00 1.96 1.73 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.43 7.81 27 M 9.05 2.92 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 28 W 7.65 4.81 0.00 3.37 3.10 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 29 C 7.25 4.29 0.00 2.49 2.80 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 30 D 7.27 3.60 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 6.48 5.60 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 32 F 6.25 4.93 0.00 3.14 2.94 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 33 C 7.94 4.53 0.00 2.93 2.94 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 34 S 7.43 4.85 0.00 4.00 4.01 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 0.00 0.00 0.00 35 S 7.96 4.21 0.00 3.97 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 0.00 36 R 8.67 3.26 0.00 1.84 1.70 0.00 3.23 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 37 G 7.42 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.10 4.64 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.51 7.81 39 V 7.29 4.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 40 V 7.98 4.43 2.13 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 0.89 0.00 0.00 0.96 0.00 0.00 41 E 9.19 4.74 0.00 2.02 2.13 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 0.00 2.63 2.28 0.00 42 L 6.59 5.51 0.00 1.80 1.77 0.88 0.35 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 43 G 7.40 3.44 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 0.00 44 C 7.67 5.76 0.00 3.00 3.09 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 45 A 8.34 5.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.69 4.11 1.19 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 47 T 8.38 4.33 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 1.20 0.00 0.00 48 C 8.17 4.04 0.00 3.11 3.33 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 49 P 0.00 3.66 0.00 2.04 1.98 0.00 3.78 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 1.82 1.89 0.00 50 S 8.11 4.78 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 4.51 0.00 1.85 1.80 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.04 7.81 52 K 8.02 4.85 0.00 1.70 1.76 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.45 7.81 53 P 0.00 4.46 0.00 2.22 2.20 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 54 Y 7.64 4.35 0.00 3.02 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 55 E 8.24 4.50 0.00 1.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 56 E 8.95 3.75 0.00 1.92 1.88 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 2.49 2.55 0.00 57 V 8.70 4.00 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 0.84 0.00 0.00 0.97 0.00 0.00 58 T 7.66 3.88 4.22 0.00 0.00 0.00 0.00 0.00 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 59 C 7.77 5.04 0.00 2.94 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 60 C 7.94 4.62 0.00 2.99 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.51 0.00 3.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.69 4.36 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 1.20 0.00 0.00 63 D 6.62 5.26 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.88 0.00 1.97 1.66 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.42 7.81 65 C 8.03 6.17 0.00 3.04 3.19 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 66 N 7.56 4.58 0.00 2.75 2.86 0.00 0.00 6.08 7.90 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 67 H 6.98 3.73 0.00 3.12 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.81 0.00 2.26 2.03 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 69 P 0.00 3.92 0.00 2.40 2.12 0.00 4.02 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 70 K 9.54 3.52 0.00 1.91 1.02 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.53 7.81 71 R 10.26 4.06 0.00 2.03 2.11 0.00 3.43 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.03 0.00 72 Q 8.55 4.42 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 73 P 0.00 4.20 0.00 2.07 2.03 0.00 3.84 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 2.02 2.14 0.00 74 G 7.73 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00