NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1456 7.9829 118.5496 59.8458 37.8764 177.8831 3 D 4.1780 8.1466 117.9008 53.9866 40.4323 177.7960 4 T 4.5575 8.0987 109.6654 61.7234 72.7220 181.2665 5 A 4.1501 8.0971 121.6270 55.4181 17.1031 178.7545 6 A 4.3523 7.6564 118.9697 53.6461 18.2729 179.3058 7 K 4.3898 7.6909 123.0652 58.0374 32.4384 183.3471 *8 F 4.7806 7.8941 120.0496 61.3396 39.0575 183.3729 9 I 4.5095 7.7377 116.4113 62.7311 35.0386 180.2618 10 G 4.1053 7.5370 102.3823 46.3397 0.0000 175.1192 11 A 4.4373 7.9804 120.8914 53.2403 18.7617 178.1491 12 G 3.6955 7.9375 105.9481 47.2941 0.0000 175.9282 13 A 4.0682 7.9469 121.9682 54.1431 19.1211 178.3982 14 A 4.2409 7.6054 117.4026 53.9894 19.0505 179.3364 15 T 4.3203 7.4246 108.5676 62.0939 68.7483 182.0753 16 V 4.0805 7.4416 116.6993 62.2070 31.9616 183.0593 17 G 3.9359 7.6990 108.4338 48.0452 0.0000 175.5945 18 V 4.0827 7.5685 116.3852 60.8361 31.7796 182.9167 19 A 4.3521 7.7598 121.7123 55.5115 18.2334 180.0778 20 G 3.7065 8.1148 106.4940 48.1161 0.0000 176.6861 21 S 4.6038 7.5627 121.4632 61.6699 62.2198 179.0209 22 G 3.9850 7.5326 104.1971 47.0857 0.0000 175.5268 23 A 4.3394 7.7878 122.0892 54.4208 18.6467 179.8664 24 G 3.4014 8.2381 106.8326 48.3627 0.0000 176.7677 25 I 3.9932 7.5464 121.6344 64.5722 35.6382 181.5325 26 G 4.0214 7.9557 106.9589 47.3737 0.0000 175.8138 27 T 4.4340 7.7564 118.0868 64.8739 69.3416 182.8736 28 V 4.1077 7.8886 121.4623 65.4865 32.2278 182.1422 *29 F 4.8550 7.7498 117.8812 60.7348 39.1268 183.5656 30 G 3.8841 7.7772 106.8676 48.5181 0.0000 175.9855 31 S 4.6063 8.0069 121.2276 61.4385 62.5216 177.7568 32 L 4.6631 7.6667 126.8253 58.9210 41.4605 184.3778 33 I 4.0529 7.5751 120.9259 66.3361 35.6624 183.7205 34 I 4.3004 7.7477 121.1606 63.7029 34.8456 180.3319 35 G 3.9238 7.5212 105.4913 49.2901 0.0000 175.8257 *36 Y 4.2494 7.8014 121.2628 59.7873 36.8323 179.2090 37 A 4.3369 7.4891 121.8797 56.7221 18.6534 180.3066 38 R 4.0369 7.7123 118.6289 59.6076 29.7924 180.1384 39 N 4.5753 7.7078 115.8623 51.8189 37.0958 177.5100 40 P 4.9151 0.0000 0.0000 64.2942 32.5167 173.5264 41 S 4.5164 7.8514 116.5989 59.4343 59.2469 180.2640 42 L 4.2321 7.3797 129.0680 56.5134 41.8021 177.8983 43 K 4.0087 7.8257 122.7806 56.0568 32.6326 180.2580 44 Q 4.0432 8.8584 121.8767 55.9358 27.2973 168.5214 45 Q 3.9113 8.2797 120.2252 57.1742 27.0781 177.5696 46 L 4.3448 7.8465 122.9092 59.8040 41.0677 182.1133 *47 F 4.4481 7.7981 122.4252 61.6941 37.7659 180.4069 48 S 4.5106 8.1381 119.1669 64.4133 61.8792 181.1167 *49 Y 4.4113 7.6555 121.2467 61.0665 36.7006 180.4804 50 A 4.1368 7.8075 123.0388 56.2153 18.3538 180.4084 51 I 3.8597 7.6508 120.3959 65.5675 35.4382 181.4655 52 L 4.5980 7.5689 120.0642 57.5981 40.7354 180.7079 53 G 4.1388 7.5821 106.6943 48.3418 0.0000 176.8467 *54 F 4.2205 8.1268 122.5690 61.2663 37.5351 179.6168 55 A 4.2829 8.0525 122.3403 55.3387 17.9041 179.2738 56 L 4.5635 7.3602 116.3803 55.2212 41.1781 181.5845 57 S 4.7719 7.9144 121.6370 63.1186 64.1643 180.5156 58 E 4.6116 8.4331 119.6256 58.7273 29.7296 180.4531 59 A 4.3455 7.7116 122.8360 56.5247 18.2307 179.3090 60 M 4.5405 7.9401 115.9772 57.3739 31.8544 180.5621 61 G 4.2074 7.8330 108.3756 47.6375 0.0000 176.4900 62 L 4.2309 8.1390 126.7017 59.4529 40.5691 182.8810 *63 F 4.5547 8.1096 121.9915 62.2763 38.0478 181.4500 64 C 4.6184 8.2123 119.3708 62.6550 27.5466 179.4434 65 L 4.6669 7.8127 123.4185 58.3105 39.8765 183.2912 66 M 4.5816 7.7153 120.9626 59.6354 31.6116 183.8212 67 V 4.0990 7.2981 114.7928 64.0746 32.4696 182.3932 68 A 4.4751 7.5957 121.3589 56.3502 18.8568 180.0504 *69 F 4.1954 7.8552 115.7636 59.0459 38.3534 179.1394 70 L 4.4319 7.4215 120.4852 56.3741 41.0028 183.4650 71 I 4.4039 7.5974 116.0557 61.2115 36.6773 182.2214 72 L 4.8143 7.9697 118.2292 55.3220 43.5268 182.6095 *73 F 4.3929 8.0346 119.3496 57.6419 39.0530 179.4801 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 7.98 4.15 1.87 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 1.27 0.64 0.91 0.00 0.00 3 D 8.15 4.18 0.00 2.77 2.60 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 4 T 8.10 4.56 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 5 A 8.10 4.15 1.32 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 0.00 0.00 6 A 7.66 4.35 1.31 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 0.00 0.00 0.00 7 K 7.69 4.39 0.00 1.91 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.30 7.81 *8 F 7.89 4.78 0.00 2.39 2.21 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 9 I 7.74 4.51 1.87 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 1.57 1.15 0.91 0.00 0.00 10 G 7.54 4.11 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 0.00 0.00 0.00 11 A 7.98 4.44 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 12 G 7.94 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 13 A 7.95 4.07 1.31 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 0.00 0.00 0.00 14 A 7.61 4.24 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 0.00 0.00 0.00 0.00 0.00 15 T 7.42 4.32 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 16 V 7.44 4.08 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 0.67 0.00 0.00 0.93 0.00 0.00 17 G 7.70 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 0.00 0.00 0.00 18 V 7.57 4.08 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 0.77 0.00 0.00 0.93 0.00 0.00 19 A 7.76 4.35 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 20 G 8.11 3.71 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 0.00 0.00 0.00 21 S 7.56 4.60 0.00 3.75 3.88 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 0.00 0.00 0.00 22 G 7.53 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 0.00 0.00 0.00 23 A 7.79 4.34 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 24 G 8.24 3.40 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 0.00 25 I 7.55 3.99 1.87 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 1.45 0.70 0.91 0.00 0.00 26 G 7.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.76 4.43 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 28 V 7.89 4.11 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 0.90 0.00 0.00 0.93 0.00 0.00 *29 F 7.75 4.86 0.00 2.25 2.30 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 30 G 7.78 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.01 4.61 0.00 3.72 3.86 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 0.00 0.00 0.00 32 L 7.67 4.66 0.00 1.63 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.58 4.05 1.87 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 1.38 0.54 0.91 0.00 0.00 34 I 7.75 4.30 1.87 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 1.45 0.54 0.91 0.00 0.00 35 G 7.52 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 *36 Y 7.80 4.25 0.00 2.38 2.30 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 37 A 7.49 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.04 0.00 1.98 1.86 0.00 3.41 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 39 N 7.71 4.58 0.00 2.92 2.75 0.00 0.00 6.65 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.92 0.00 2.04 1.93 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 41 S 7.85 4.52 0.00 3.65 3.81 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 42 L 7.38 4.23 0.00 1.57 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.83 4.01 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 44 Q 8.86 4.04 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.04 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 45 Q 8.28 3.91 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 46 L 7.85 4.34 0.00 1.84 1.68 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *47 F 7.80 4.45 0.00 2.33 2.32 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 48 S 8.14 4.51 0.00 3.73 3.90 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 *49 Y 7.66 4.41 0.00 2.37 2.32 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 50 A 7.81 4.14 1.34 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 0.00 0.00 51 I 7.65 3.86 1.87 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 1.38 0.70 0.91 0.00 0.00 52 L 7.57 4.60 0.00 1.79 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.58 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 F 8.13 4.22 0.00 2.32 2.31 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 0.00 55 A 8.05 4.28 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 56 L 7.36 4.56 0.00 1.72 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.91 4.77 0.00 3.70 3.85 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 58 E 8.43 4.61 0.00 1.95 1.96 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 2.21 2.19 0.00 59 A 7.71 4.35 1.31 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 0.00 0.00 0.00 60 M 7.94 4.54 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.17 0.00 61 G 7.83 4.21 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 0.00 0.00 0.00 62 L 8.14 4.23 0.00 1.68 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *63 F 8.11 4.55 0.00 2.27 2.32 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 64 C 8.21 4.62 0.00 2.83 2.96 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 65 L 7.81 4.67 0.00 1.59 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 M 7.72 4.58 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 67 V 7.30 4.10 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 0.94 0.00 0.00 0.93 0.00 0.00 68 A 7.60 4.48 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 *69 F 7.86 4.20 0.00 2.27 2.30 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 70 L 7.42 4.43 0.00 1.85 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.60 4.40 1.87 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 1.16 1.19 0.91 0.00 0.00 72 L 7.97 4.81 0.00 1.61 1.54 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *73 F 8.03 4.39 0.00 2.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.