NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2386 7.8833 114.2828 60.2813 39.3972 176.2139 3 E 3.7932 8.7425 119.9992 59.4057 28.9262 178.9290 4 K 4.1615 8.8613 123.9099 59.1575 32.2708 179.8040 5 D 4.6681 8.0674 117.4688 57.3430 40.9719 178.8927 6 V 3.7324 7.6702 118.5939 65.8053 31.3653 178.2025 7 V 3.6597 7.9348 120.2424 66.6962 31.4248 178.5417 8 Q 4.0963 7.6445 120.3565 59.9724 27.9138 180.6095 9 I 3.9795 7.7622 120.9346 64.5782 37.1003 178.5839 10 L 3.9686 7.9784 119.5225 57.2008 41.3344 179.4139 11 K 4.0235 7.8445 119.7347 59.1664 32.0990 178.7684 12 A 4.2619 7.8673 122.1984 54.3731 18.3034 179.7621 13 V 3.6451 7.6345 116.4955 66.3283 31.3606 178.0558 14 S 4.3322 7.5990 111.2379 61.7820 62.1698 175.7994 15 E 4.0845 8.1857 121.1563 59.1459 28.9031 179.3758 16 F 4.1021 8.0360 117.3046 59.3736 40.7027 175.8166 17 Y 4.7004 7.8619 116.5333 55.5626 37.1715 172.6876 18 P 4.1967 0.0000 0.0000 63.8467 32.1954 177.4576 19 G 4.0771 9.4087 111.8340 45.5274 0.0000 173.4754 20 R 4.6014 8.0516 115.5984 55.4247 31.8763 175.3765 21 F 4.6285 8.3140 121.6619 57.2834 40.4459 174.4044 22 Q 4.3088 7.8104 125.7604 51.9059 29.2672 169.7290 23 P 4.1122 0.0000 0.0000 62.7387 32.1767 177.4769 24 D 4.3737 8.6129 121.1559 55.3672 40.1914 174.8565 25 D 4.7650 7.5602 118.8443 51.2673 41.9597 175.4357 26 L 3.9129 8.2640 130.0154 58.4842 42.3659 179.1478 27 K 4.0980 8.1002 123.1603 59.4933 31.7190 181.0723 28 G 3.8269 8.3024 105.8145 48.1614 0.0000 176.1802 29 T 3.9311 7.9036 118.1111 66.1834 68.3899 177.0338 30 V 3.6055 8.1078 122.9485 66.6163 31.3545 178.8687 31 K 4.0412 7.8951 121.8522 59.7389 31.8495 180.4451 32 A 4.4509 8.2447 121.9958 54.9730 18.4143 179.8668 33 W 4.2168 8.7677 117.7900 60.1266 29.0908 178.1297 34 H 4.3617 8.5550 118.3327 59.4334 28.9650 177.4498 35 R 3.9198 7.7559 118.7143 58.5162 29.9202 178.4491 36 V 4.0250 7.6091 117.1022 65.1585 32.2523 177.5428 37 L 4.4710 8.6326 117.5109 56.3789 41.3404 178.4628 38 A 4.1864 7.9332 120.3981 53.7500 18.3093 177.9716 39 E 4.1138 7.7534 115.3868 55.8768 30.2287 175.0385 40 Y 4.5619 7.5202 117.8065 56.7958 40.3833 175.1594 41 E 4.6220 8.4053 116.7651 54.3033 31.4499 176.8423 42 L 4.0675 8.9498 127.9686 58.5285 42.2623 178.9615 43 E 4.1556 8.4086 114.9863 59.5474 30.2402 180.5277 44 E 4.2800 8.3326 115.1402 59.0598 30.1469 181.5535 45 I 4.0185 7.4084 120.2303 61.4567 36.9794 178.0616 *47 N 4.7223 8.3306 119.4058 53.5328 40.6014 176.9157 48 N 4.4002 8.0663 115.3155 56.0503 38.3932 177.2446 49 L 3.9630 7.9756 122.0171 58.2685 41.9372 179.1657 50 T 3.6843 7.8004 114.2548 66.8145 68.3042 175.8578 51 D 4.4636 8.0077 120.5688 57.3939 40.6359 178.1993 52 Y 3.9299 8.1776 119.8469 60.7176 38.6271 178.1076 53 A 4.0571 7.7669 121.1064 53.8003 18.3776 179.3583 54 K 4.0955 7.4525 115.5837 58.5029 32.0773 178.1486 55 V 4.3386 7.1089 109.2433 60.4346 32.9476 174.6820 56 N 4.7769 7.6519 117.2927 51.1197 40.8576 174.6042 57 K 4.0605 8.4954 124.2006 57.9211 32.7409 176.4762 58 F 5.1131 7.4266 116.2804 54.6354 41.1426 173.6796 59 P 3.3902 0.0000 0.0000 61.5216 31.7357 174.8006 60 P 4.3404 0.0000 0.0000 62.6119 32.1031 175.9518 61 T 4.4375 8.8130 110.8806 59.9638 70.3701 176.2772 62 V 2.5864 7.0379 120.9055 64.1314 31.1633 178.4262 63 S 3.9982 6.9329 114.1502 60.3163 63.0812 175.0515 64 D 4.3803 7.7707 120.4898 56.2219 40.6297 176.8322 65 L 4.3633 7.1074 117.7235 54.5240 41.6580 177.0625 66 L 4.0176 7.5672 120.7308 55.7870 42.4137 177.3792 67 K 4.1362 7.5980 124.6837 54.8935 32.4755 181.0555 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 2 I 7.88 4.24 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.94 0.00 0.00 3 E 8.74 3.79 0.00 2.02 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 2.35 2.18 0.00 4 K 8.86 4.16 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 5 D 8.07 4.67 0.00 2.92 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 6 V 7.67 3.73 2.33 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 1.13 0.00 0.00 1.08 0.00 0.00 7 V 7.93 3.66 2.25 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 0.96 0.00 0.00 0.97 0.00 0.00 8 Q 7.64 4.10 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 9 I 7.76 3.98 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 1.07 0.00 0.00 10 L 7.98 3.97 0.00 1.79 1.68 0.62 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.02 0.00 1.93 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.60 7.81 12 A 7.87 4.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.65 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.86 0.00 0.00 14 S 7.60 4.33 0.00 4.10 4.18 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 0.00 0.00 0.00 15 E 8.19 4.08 0.00 2.05 1.75 0.00 0.00 0.00 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 2.42 0.00 16 F 8.04 4.10 0.00 3.10 2.41 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 0.00 17 Y 7.86 4.70 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.08 2.03 0.00 3.71 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 2.04 2.08 0.00 19 G 9.41 4.08 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 0.00 0.00 0.00 20 R 8.05 4.60 0.00 2.05 2.09 0.00 3.37 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 21 F 8.31 4.63 0.00 2.97 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 22 Q 7.81 4.31 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.67 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 23 P 0.00 4.11 0.00 1.80 1.73 0.00 3.33 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.26 0.00 24 D 8.61 4.37 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.56 4.77 0.00 2.62 2.50 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 26 L 8.26 3.91 0.00 1.73 1.60 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.10 4.10 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 28 G 8.30 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.90 3.93 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 0.67 0.00 0.00 30 V 8.11 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 31 K 7.90 4.04 0.00 1.91 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.33 7.81 32 A 8.24 4.45 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.77 4.22 0.00 3.37 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 4.36 0.00 3.35 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.76 3.92 0.00 2.02 2.00 0.00 3.25 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 36 V 7.61 4.03 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 1.05 0.00 0.00 0.87 0.00 0.00 37 L 8.63 4.47 0.00 1.82 1.83 1.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.93 4.19 1.22 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 0.00 0.00 39 E 7.75 4.11 0.00 1.89 1.70 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 1.55 2.06 0.00 40 Y 7.52 4.56 0.00 3.03 2.92 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 41 E 8.41 4.62 0.00 1.89 1.81 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 2.25 1.85 0.00 42 L 8.95 4.07 0.00 1.62 1.78 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.41 4.16 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 44 E 8.33 4.28 0.00 1.89 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 2.31 1.90 0.00 45 I 7.41 4.02 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.90 0.00 0.00 *47 N 8.33 4.72 0.00 2.95 2.92 0.00 0.00 7.01 6.92 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 48 N 8.07 4.40 0.00 2.88 2.85 0.00 0.00 6.67 6.64 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 49 L 7.98 3.96 0.00 1.80 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.80 3.68 4.46 0.00 0.00 0.00 0.00 0.00 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 51 D 8.01 4.46 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 52 Y 8.18 3.93 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.77 4.06 0.56 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 0.00 0.00 54 K 7.45 4.10 0.00 1.71 1.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.69 7.81 55 V 7.11 4.34 1.98 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 0.64 0.00 0.00 0.77 0.00 0.00 56 N 7.65 4.78 0.00 2.06 2.54 0.00 0.00 7.00 7.61 0.00 0.00 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 K 8.50 4.06 0.00 1.47 1.31 0.00 1.19 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.57 1.22 7.81 58 F 7.43 5.11 0.00 3.11 2.83 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 0.00 0.00 0.00 59 P 0.00 3.39 0.00 2.07 1.68 0.00 3.78 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 2.25 1.94 0.00 60 P 0.00 4.34 0.00 1.67 0.49 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 61 T 8.81 4.44 4.05 0.00 0.00 0.00 0.00 0.00 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 62 V 7.04 2.59 0.67 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 0.31 0.00 0.00 0.45 0.00 0.00 63 S 6.93 4.00 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.38 0.00 2.42 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 65 L 7.11 4.36 0.00 1.39 1.54 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.57 4.02 0.00 1.43 1.41 0.66 0.00 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 67 K 7.60 4.14 0.00 1.72 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.