NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 K 4.1596 8.4145 121.7847 55.6585 34.0078 176.3115 33 R 4.0446 7.7452 115.9835 55.9748 30.1635 179.5149 34 K 4.4773 8.1892 117.3449 55.6939 33.4908 176.7320 35 F 4.6212 9.3473 119.2940 56.1500 39.0156 175.1964 36 A 4.2314 8.2531 125.0879 51.3802 19.6521 177.8629 37 C 4.0661 8.0827 115.1397 57.7758 31.8800 174.4750 38 V 2.8080 8.1041 121.0304 66.4608 30.9307 177.8357 39 E 3.8248 7.9074 117.8088 59.7927 29.4364 178.8514 40 C 4.2695 7.8341 117.2464 62.2093 28.3055 176.2063 41 R 3.9700 8.3047 120.0484 59.3213 29.4997 178.7511 42 Q 4.1317 8.4571 118.5681 58.8438 29.1059 177.4886 43 Q 4.3844 7.9490 115.8130 54.2312 29.2526 175.4578 44 K 3.8645 7.5370 118.1471 57.2926 30.5612 174.8240 45 S 4.7407 7.9203 111.5787 55.8630 65.1643 173.3246 46 K 3.9593 8.5224 123.2543 56.8597 32.2902 175.4855 47 C 4.7713 8.6250 126.3158 57.6780 33.2051 172.7185 48 D 4.8669 8.3246 124.1715 53.2635 39.6623 177.8284 49 A 3.8342 7.9285 124.2408 56.2152 18.4990 179.2073 50 H 4.2223 8.0287 115.1735 60.0105 29.0369 179.1236 51 E 4.4069 8.1751 114.4767 57.0578 28.7531 180.3969 52 R 4.5409 8.1727 115.2223 55.3275 32.0165 179.7878 53 A 3.6522 7.9299 120.6281 53.1796 17.7098 175.4306 54 P 4.2972 0.0000 0.0000 65.9851 31.5395 177.1163 55 E 4.0173 7.5519 116.4990 55.4543 29.7055 175.1326 56 P 4.2948 0.0000 0.0000 62.6531 32.2284 176.4383 57 C 4.3042 8.4342 115.5787 58.7816 31.3831 174.2884 58 T 3.7619 8.8215 119.3166 67.3186 68.0548 176.3409 59 K 3.8139 8.0694 119.0872 60.2411 32.1412 179.0444 60 C 4.1384 8.0173 115.7896 62.4540 27.9635 175.8455 61 A 3.9112 8.2258 122.6942 55.1979 17.8717 179.5029 62 K 3.3335 7.9665 116.7101 59.3262 32.2420 178.0411 63 K 4.1946 7.6245 115.5607 55.1736 33.1331 175.7536 64 N 4.1862 8.8528 118.4628 54.6925 37.7424 173.6123 65 V 4.5315 7.8976 108.8351 58.5317 36.0978 174.5269 66 P 4.1564 0.0000 0.0000 63.2426 31.3825 176.5607 67 C 4.3463 8.3990 124.5831 58.4566 30.7212 171.8526 68 I 4.3692 7.8182 125.2755 59.4768 39.2783 174.1605 69 L 4.7286 8.4492 127.5949 53.5181 44.0253 177.4162 70 K 4.5774 8.6329 124.9136 53.1916 33.7802 173.5889 71 R 4.1652 9.3703 127.4950 59.6925 29.9701 178.9111 72 D 4.6410 8.1043 111.5649 53.7745 39.7752 177.4283 73 F 4.5498 8.4109 122.9479 58.8363 39.9181 174.7745 74 R 4.2027 7.4231 126.1531 53.6009 32.5556 175.6487 75 R 3.8148 7.9785 121.8096 56.8338 30.3639 175.1458 76 T 4.5221 7.9480 113.0313 59.7583 70.0150 173.5393 77 Y 4.0772 8.9307 126.9332 57.1555 37.9911 176.5478 78 K 3.9407 8.4163 124.9981 59.4749 32.4356 178.8866 79 R 3.8840 8.1716 118.0972 59.7628 29.7979 177.9518 80 A 3.9494 8.0754 119.7256 55.0635 18.4632 178.9959 81 R 3.8544 7.8779 116.5528 59.8965 30.0974 178.4476 82 N 4.3688 8.4910 118.2069 56.9721 38.6059 177.7664 83 E 3.9879 8.1679 119.4415 61.1087 29.8355 180.7128 84 A 4.1680 8.3871 122.3869 55.3110 18.2602 179.7275 85 I 3.6976 8.0367 118.3625 64.6574 37.1083 178.3300 86 E 4.1745 8.5729 122.6273 59.8819 29.4321 179.1359 87 K 4.0941 8.3673 126.4984 60.2575 31.8682 181.9140 88 R 4.2531 8.2345 121.6084 61.2653 29.3209 180.8707 89 F 4.5181 8.1062 120.2512 62.1154 39.6323 178.4554 90 K 4.0709 8.7107 127.5229 59.6905 31.5219 181.3108 91 E 4.1618 8.8155 119.1753 61.2105 29.6926 181.9475 92 L 4.1443 7.4230 120.7159 58.0216 41.5162 179.2770 93 T 3.7862 7.5255 118.3182 67.0337 68.3592 177.7002 94 R 3.9833 7.9795 122.6495 61.4495 29.1735 181.1427 95 T 4.0780 7.6223 117.2863 67.3182 68.5698 177.2221 96 L 4.2150 7.6022 124.8882 60.2463 40.9932 181.5144 97 T 4.3078 8.0307 116.9587 66.0995 69.5540 178.8586 98 N 5.0379 8.4971 125.2276 53.1361 35.1498 177.7899 99 L 4.3030 7.3145 126.4943 55.2495 41.8490 176.5164 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 32 K 8.41 4.16 0.00 1.72 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 33 R 7.75 4.04 0.00 1.95 1.70 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 34 K 8.19 4.48 0.00 1.74 1.36 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.38 7.81 35 F 9.35 4.62 0.00 3.24 2.97 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 0.00 0.00 0.00 36 A 8.25 4.23 1.24 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 0.00 0.00 37 C 8.08 4.07 0.00 3.14 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.10 2.81 1.71 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 -0.15 0.00 0.00 0.60 0.00 0.00 39 E 7.91 3.82 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 40 C 7.83 4.27 0.00 3.05 3.15 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 41 R 8.30 3.97 0.00 2.37 2.25 0.00 3.51 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 42 Q 8.46 4.13 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 43 Q 7.95 4.38 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.42 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 44 K 7.54 3.86 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.30 7.81 45 S 7.92 4.74 0.00 3.95 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 46 K 8.52 3.96 0.00 1.73 1.77 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 47 C 8.63 4.77 0.00 2.88 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 48 D 8.32 4.87 0.00 2.82 2.81 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 49 A 7.93 3.83 1.09 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 0.00 0.00 50 H 8.03 4.22 0.00 3.22 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.18 4.41 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 52 R 8.17 4.54 0.00 1.72 1.77 0.00 3.38 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 53 A 7.93 3.65 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 54 P 0.00 4.30 0.00 2.04 2.16 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 55 E 7.55 4.02 0.00 2.21 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 2.34 2.42 0.00 56 P 0.00 4.29 0.00 2.00 1.97 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 57 C 8.43 4.30 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 3.76 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 K 8.07 3.81 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.60 7.81 60 C 8.02 4.14 0.00 3.06 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 61 A 8.23 3.91 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 62 K 7.97 3.33 0.00 1.74 1.99 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 7.62 4.19 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.66 7.81 64 N 8.85 4.19 0.00 2.69 2.79 0.00 0.00 6.88 7.59 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 65 V 7.90 4.53 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 0.83 0.00 0.00 0.95 0.00 0.00 66 P 0.00 4.16 0.00 1.98 1.96 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 67 C 8.40 4.35 0.00 2.91 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 68 I 7.82 4.37 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.85 0.00 0.00 69 L 8.45 4.73 0.00 1.59 1.21 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.63 4.58 0.00 1.62 1.66 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.02 7.81 71 R 9.37 4.17 0.00 1.74 1.97 0.00 2.93 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 72 D 8.10 4.64 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 73 F 8.41 4.55 0.00 2.99 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 74 R 7.42 4.20 0.00 1.58 1.59 0.00 3.23 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 75 R 7.98 3.81 0.00 1.68 1.84 0.00 3.28 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 76 T 7.95 4.52 4.28 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 1.35 0.00 0.00 77 Y 8.93 4.08 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.42 3.94 0.00 1.76 1.86 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.43 7.81 79 R 8.17 3.88 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 80 A 8.08 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.88 3.85 0.00 1.88 2.19 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 82 N 8.49 4.37 0.00 2.93 2.84 0.00 0.00 7.17 7.23 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 83 E 8.17 3.99 0.00 1.99 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 2.25 2.21 0.00 84 A 8.39 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.04 3.70 2.02 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 1.37 0.90 0.00 0.00 86 E 8.57 4.17 0.00 2.16 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 2.39 2.36 0.00 87 K 8.37 4.09 0.00 1.82 1.76 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.33 7.81 88 R 8.23 4.25 0.00 1.84 2.01 0.00 3.23 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 89 F 8.11 4.52 0.00 3.24 3.34 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 90 K 8.71 4.07 0.00 1.76 1.81 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.19 7.81 91 E 8.82 4.16 0.00 1.92 1.99 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 2.24 2.19 0.00 92 L 7.42 4.14 0.00 1.94 1.67 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.53 3.79 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 1.10 0.00 0.00 94 R 7.98 3.98 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 95 T 7.62 4.08 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 1.19 0.00 0.00 96 L 7.60 4.22 0.00 1.75 1.58 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.03 4.31 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 1.21 0.00 0.00 98 N 8.50 5.04 0.00 2.76 2.69 0.00 0.00 6.80 7.66 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 99 L 7.31 4.30 0.00 1.59 1.37 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00