NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 A 4.3021 8.2644 123.5823 52.2056 17.9518 176.6872 45 V 4.1344 7.8200 122.6951 60.5439 32.2700 173.2464 46 D 4.4086 8.7701 126.2802 55.0337 42.4922 175.8464 47 E 4.0974 7.5324 117.2975 56.5498 29.1575 176.0546 48 K 4.2310 7.5401 113.9702 55.2241 30.3768 176.2851 49 L 3.7017 7.6849 121.1621 56.3423 42.6942 176.3811 50 R 3.7695 8.5854 128.6617 56.6458 28.0591 176.3263 51 D 4.4509 7.8945 118.9961 57.1543 42.4059 177.7256 52 L 3.9121 8.3724 120.3896 58.7891 41.5629 177.9673 53 Y 4.0309 7.7619 117.6724 61.1993 38.6493 178.3423 54 S 4.4117 8.3683 115.1967 61.9565 63.6932 176.3886 55 K 4.5199 8.1195 125.2000 56.0273 31.4674 178.1506 56 S 4.2006 8.8556 109.3338 61.4531 63.3886 176.3293 57 T 3.0896 7.8777 114.8484 65.0351 64.7055 172.3642 58 A 3.6231 7.9653 118.5753 53.1653 15.2019 176.7141 59 A 4.5950 8.1097 120.3191 51.9452 20.4373 176.0768 60 M 4.2398 7.1552 112.3584 55.7163 34.5053 176.9160 61 S 3.9316 7.6363 115.7317 62.9193 63.8906 175.0166 62 T 4.0696 7.7609 119.4529 63.8745 68.5386 173.8900 63 Y 4.4263 8.1026 127.1391 57.9325 41.4276 170.6680 64 T 4.2299 7.9453 122.8437 62.7292 74.3374 174.7663 65 G 3.9245 7.8366 113.8289 43.6385 0.0000 173.1183 66 I 4.5520 7.1778 121.8798 61.1342 38.6152 178.0470 67 F 3.8690 8.4521 124.5261 61.0855 39.7447 176.3061 68 T 4.0696 7.6849 117.1889 66.0159 68.8099 174.6806 69 D 4.4304 7.8868 119.3591 55.9021 40.4875 174.9910 70 Q 3.7541 8.3699 123.7414 56.3265 28.8404 175.4593 71 V 3.8627 7.6104 117.2717 65.9855 31.4875 176.7162 72 L 4.3310 7.9866 118.7253 55.2495 41.9034 176.5395 73 S 4.8017 9.3923 112.5279 58.7001 63.6598 175.9390 74 V 4.0202 7.6546 121.7903 64.9782 33.4687 176.8526 75 L 3.9117 8.2096 120.2735 58.2797 41.9716 178.1949 76 K 4.0254 8.1200 116.1468 60.7280 32.2651 176.6211 77 G 4.0582 7.2331 108.9967 45.8836 0.0000 176.8822 78 E 4.6913 7.6857 119.6538 54.7624 30.7428 174.8859 79 E 4.2223 8.2149 124.9723 56.3977 30.0549 174.8389 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 44 A 8.26 4.30 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 45 V 7.82 4.13 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 0.93 0.00 0.00 0.93 0.00 0.00 46 D 8.77 4.41 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 47 E 7.53 4.10 0.00 2.07 1.94 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 2.25 2.27 0.00 48 K 7.54 4.23 0.00 1.93 2.10 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.39 7.81 49 L 7.68 3.70 0.00 1.63 1.74 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.59 3.77 0.00 2.07 1.96 0.00 3.25 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 51 D 7.89 4.45 0.00 2.81 2.70 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 52 L 8.37 3.91 0.00 1.80 1.70 0.92 0.78 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 Y 7.76 4.03 0.00 3.23 2.95 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 54 S 8.37 4.41 0.00 4.21 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 55 K 8.12 4.52 0.00 1.78 1.56 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 56 S 8.86 4.20 0.00 4.02 3.97 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 57 T 7.88 3.09 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 1.06 0.00 0.00 58 A 7.97 3.62 1.30 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 0.00 0.00 0.00 59 A 8.11 4.59 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 60 M 7.16 4.24 0.00 1.90 1.86 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 2.45 2.55 0.00 61 S 7.64 3.93 0.00 3.91 3.89 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 62 T 7.76 4.07 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 1.23 0.00 0.00 63 Y 8.10 4.43 0.00 3.05 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 64 T 7.95 4.23 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 1.24 0.00 0.00 65 G 7.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.18 4.55 1.74 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.13 0.86 0.00 0.00 67 F 8.45 3.87 0.00 2.99 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 68 T 7.68 4.07 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 1.27 0.00 0.00 69 D 7.89 4.43 0.00 2.61 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 70 Q 8.37 3.75 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 71 V 7.61 3.86 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 0.26 0.00 0.00 0.62 0.00 0.00 72 L 7.99 4.33 0.00 1.71 1.61 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 S 9.39 4.80 0.00 4.01 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 74 V 7.65 4.02 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 1.06 0.00 0.00 0.90 0.00 0.00 75 L 8.21 3.91 0.00 1.62 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.12 4.03 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 77 G 7.23 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.69 4.69 0.00 1.91 1.89 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 2.21 2.24 0.00 79 E 8.21 4.22 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00