NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 C 4.6071 8.5545 120.6386 56.3559 39.3878 174.6258 72 R 4.1531 7.5250 119.7456 54.8247 30.4441 178.1373 73 K 4.4860 8.7768 122.8729 57.5259 33.4904 178.2011 74 E 4.0435 8.3473 118.1411 59.2644 29.8519 177.9560 75 Q 4.4614 7.9056 116.5925 54.1649 28.4752 180.2868 76 G 3.6961 7.8640 106.2176 47.8940 0.0000 173.7948 77 K 5.2865 7.8283 116.8105 54.2204 36.6166 175.8395 78 F 4.9759 8.6366 116.6811 55.4460 42.0619 172.6483 79 Y 4.5493 8.6702 121.5330 56.6986 40.2647 173.5378 80 D 4.8710 7.7747 127.6027 53.4231 41.7608 176.7752 81 H 4.4431 9.0105 123.6357 57.6879 29.4198 176.8190 82 L 4.1464 8.2303 121.5100 57.8416 42.0132 177.9396 83 L 4.0515 7.9799 115.8929 55.1797 42.2993 176.7033 84 R 3.5882 7.5136 116.2410 55.1507 28.2041 174.8860 85 D 4.5987 6.3660 114.2217 53.1852 45.3278 174.8536 86 C 4.9017 8.5351 120.5434 56.4143 39.9556 173.1602 87 I 4.4568 7.8166 123.6175 59.2796 40.6964 174.6796 88 S 4.7864 8.3642 120.5525 57.3393 63.3253 175.4198 89 C 4.2442 9.0765 126.2555 60.2321 39.6228 176.1526 90 A 4.0319 7.1402 119.8526 54.8423 17.9873 179.4531 91 S 4.3824 7.9043 113.1789 60.5001 63.0612 175.0479 92 I 4.6865 7.5974 112.9058 60.1908 38.4596 174.2984 93 C 4.5093 8.2441 118.4396 59.0863 40.4116 173.4813 94 G 3.9586 9.7755 112.0960 45.4359 0.0000 173.5401 95 Q 4.6368 8.0018 118.3008 55.7337 29.9778 174.7086 96 H 4.8354 8.0977 112.5700 53.3296 30.6160 172.9417 97 P 4.5339 0.0000 0.0000 61.5851 32.8920 176.8271 98 K 3.9417 8.4302 117.8484 59.6965 31.5708 178.3856 99 Q 3.9631 7.8154 117.1642 58.2602 28.7936 178.1421 100 C 4.6398 7.7336 115.2471 56.6284 39.2523 175.2239 101 A 3.9959 7.7143 124.1511 55.4648 18.0950 179.2365 102 Y 3.8756 8.0279 117.3214 60.7177 38.8810 177.6894 103 F 4.0267 8.3979 121.0486 61.7503 39.3736 177.7144 104 C 4.3711 8.3502 114.7282 59.7178 39.9687 175.4122 105 E 3.9168 7.9701 120.5905 58.2263 29.5049 177.5350 106 N 4.6954 7.2633 113.3715 52.4753 39.1557 176.4917 107 K 3.6244 7.4292 121.6902 58.8017 32.4454 177.6094 108 L 4.5704 7.2553 117.2961 54.3093 42.2259 176.3922 109 R 4.0769 7.6090 124.1712 56.5228 29.9940 176.3953 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 71 C 8.55 4.61 0.00 2.98 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 72 R 7.53 4.15 0.00 1.86 1.79 0.00 3.30 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 73 K 8.78 4.49 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.52 7.81 74 E 8.35 4.04 0.00 2.16 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 0.00 2.30 2.34 0.00 75 Q 7.91 4.46 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 76 G 7.86 3.70 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 0.00 0.00 0.00 77 K 7.83 5.29 0.00 1.83 1.62 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 78 F 8.64 4.98 0.00 3.07 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 79 Y 8.67 4.55 0.00 3.07 2.84 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 80 D 7.77 4.87 0.00 2.32 2.17 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 81 H 9.01 4.44 0.00 3.24 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.23 4.15 0.00 1.62 1.88 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.98 4.05 0.00 1.47 1.58 0.86 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 84 R 7.51 3.59 0.00 1.91 2.05 0.00 3.45 0.00 0.00 3.11 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 85 D 6.37 4.60 0.00 2.67 2.22 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 0.00 86 C 8.54 4.90 0.00 2.84 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.82 4.46 0.69 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.65 0.87 0.00 0.00 88 S 8.36 4.79 0.00 3.78 3.67 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 89 C 9.08 4.24 0.00 1.99 2.78 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 90 A 7.14 4.03 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 91 S 7.90 4.38 0.00 4.06 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 92 I 7.60 4.69 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.96 0.00 0.00 93 C 8.24 4.51 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.78 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 0.00 0.00 0.00 95 Q 8.00 4.64 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 96 H 8.10 4.84 0.00 3.23 3.44 0.00 5.52 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.53 0.00 2.34 2.21 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 98 K 8.43 3.94 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.53 7.81 99 Q 7.82 3.96 0.00 1.12 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 100 C 7.73 4.64 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 101 A 7.71 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.03 3.88 0.00 3.14 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 0.00 103 F 8.40 4.03 0.00 3.21 3.20 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 0.00 104 C 8.35 4.37 0.00 2.75 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 0.00 105 E 7.97 3.92 0.00 1.95 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 2.20 2.22 0.00 106 N 7.26 4.70 0.00 2.23 2.42 0.00 0.00 6.74 6.65 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 0.00 107 K 7.43 3.62 0.00 1.33 1.11 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.31 7.81 108 L 7.26 4.57 0.00 1.55 1.62 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.61 4.08 0.00 1.85 1.77 0.00 3.29 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00