NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3805 0.0000 0.0000 61.7277 32.3570 176.2868 11 P 4.2246 0.0000 0.0000 61.2093 32.0470 174.4520 12 A 3.9773 9.1644 123.2998 52.7631 19.7945 178.3546 13 L 4.5001 8.2814 121.5491 54.5178 43.4012 175.3974 14 H 5.2837 8.9274 120.9249 53.8780 31.3309 173.0279 15 L 4.6553 10.1644 125.6608 53.7316 43.1684 175.7440 16 V 4.1948 9.6401 129.6047 62.3743 31.9924 174.5353 17 D 4.6166 8.2793 128.4110 51.4108 42.2662 176.7349 18 P 4.3564 0.0000 0.0000 65.4069 31.3906 177.4895 19 Q 4.0944 8.3061 116.7557 58.4998 28.3155 176.8780 20 I 4.4928 7.5767 119.1105 59.0690 39.0694 174.7531 21 Q 4.7100 8.2714 122.7792 54.2375 33.2698 174.2432 22 L 4.5507 8.4567 122.8540 55.1070 44.1099 175.5596 23 T 6.0106 8.1861 117.6547 61.3752 72.2707 173.3826 24 I 4.6064 8.0966 126.5769 60.1232 40.0551 176.0429 25 T 3.4259 7.8273 116.3687 61.0725 67.3891 172.3985 *39 D 4.2326 8.4855 126.8239 54.9444 41.7222 174.5540 40 P 4.0804 0.0000 0.0000 60.6707 27.9025 174.5001 41 K 4.4308 8.7531 117.1707 54.4234 35.8418 176.1386 42 V 5.4878 8.0237 124.9134 60.3305 33.8726 174.0672 43 Y 4.8943 8.7644 125.3543 55.1569 40.8052 173.8190 44 P 4.7880 0.0000 0.0000 63.4820 32.9131 174.5543 45 I 4.7799 8.0547 119.6002 59.5609 40.0996 175.0475 46 I 5.0263 8.5488 126.7436 59.5321 40.5668 174.4273 47 L 5.0068 8.9771 126.2066 53.1487 43.7851 177.5240 48 R 3.7327 8.5428 123.4033 58.8423 30.5788 174.0659 49 L 3.4739 8.1748 129.3401 54.8917 40.6982 173.1061 50 G 3.9780 8.7149 112.9282 47.0322 0.0000 172.3514 51 S 4.8298 7.6161 118.9391 57.3046 63.9170 174.7743 52 N 4.8727 8.2325 114.8411 51.5397 38.8239 174.1775 53 L 3.9942 7.9350 121.0613 54.5231 42.8211 176.7355 54 S 4.7885 8.3862 114.7482 56.2905 65.1128 172.9218 55 L 5.0455 8.1259 127.3656 53.5602 45.4568 174.9507 56 S 5.0812 8.5193 117.6929 57.5983 66.2961 172.5310 57 M 4.6849 9.1955 121.0575 53.9081 33.8511 174.5369 58 A 5.8756 8.5175 126.5401 49.7659 22.5836 175.2659 59 R 4.8685 8.4457 116.9358 54.4472 34.9645 174.9911 60 R 2.5100 8.6050 121.3713 56.2937 30.7359 176.9788 61 N 4.4860 7.5758 122.5953 52.1671 36.9136 174.1460 62 L 4.4758 7.7570 118.6003 54.1241 42.1092 177.0878 63 D 4.8106 7.8148 115.9196 52.4791 40.7980 175.0947 64 S 4.7316 7.8460 112.4439 56.5063 65.5986 173.0333 65 L 4.7035 8.5073 123.4228 55.6725 42.0794 177.6922 66 E 4.0666 8.2290 116.1557 58.2426 30.1877 176.7455 67 A 4.2090 7.3408 121.5815 51.2171 19.0576 177.0365 68 R 3.9195 8.4818 117.9451 56.8458 30.9654 176.7047 69 A 4.2698 9.0136 124.3170 54.8760 19.1456 177.3275 70 F 5.0622 8.0374 110.8929 55.5783 43.2474 174.9385 71 Q 4.1441 9.5299 124.8981 56.0101 29.6211 174.7751 72 S 4.9447 8.6715 122.8730 57.5724 63.5162 173.7485 73 T 4.4922 9.3780 127.0554 60.7896 69.6042 171.8021 74 P 4.4546 0.0000 0.0000 63.1681 32.2237 175.6122 75 I 4.5008 8.4179 124.8139 59.2891 38.9322 176.0237 76 V 3.6684 8.4747 127.2117 61.2961 31.0985 175.7138 77 V 4.0722 8.2125 125.7379 61.6555 31.8342 175.2861 78 Q 4.5587 8.2103 130.2552 55.6377 29.3714 175.2822 79 M 4.7317 7.9237 112.7017 55.2060 31.7224 175.3402 80 T 4.6873 9.6987 116.8969 61.7262 71.6417 173.4914 81 K 4.6500 8.6634 126.4396 55.8019 33.4571 175.5872 82 L 4.7488 8.6456 125.8039 53.4298 43.8550 175.7392 83 A 4.3971 8.9199 123.5903 53.6200 20.7714 176.8190 84 T 4.5054 7.8110 110.0514 60.2013 68.9661 175.2365 85 T 3.9926 8.4114 122.6231 63.9678 67.5698 174.9739 86 E 4.0950 7.9526 120.9424 58.8427 29.8165 177.3670 87 E 4.0910 7.9885 117.2915 58.5945 29.7402 177.1444 88 L 4.1242 7.2393 118.9138 53.4733 42.3727 174.4696 89 P 4.8131 0.0000 0.0000 61.6095 32.9689 175.8867 90 D 4.6006 8.9390 119.4850 57.1561 40.8728 176.8149 91 E 4.6437 7.9847 116.5623 54.3523 31.8641 175.1328 92 F 5.1499 7.6839 116.6986 56.2420 41.1253 173.5417 93 V 4.3000 8.4262 112.7034 59.9110 34.0468 175.4373 94 V 4.6603 8.1358 122.9313 61.3273 33.3593 175.9705 95 V 3.9556 8.6470 129.6573 62.0253 30.8501 173.2491 96 T 4.1657 8.2397 120.3048 62.2772 68.8670 176.0794 97 A 4.3237 8.3636 135.0000 51.2531 17.3929 177.2257 98 K 4.1734 7.8467 125.1212 57.8494 33.0005 176.7525 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 10 P 0.00 4.38 0.00 2.19 2.15 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 11 P 0.00 4.22 0.00 2.54 2.12 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 12 A 9.16 3.98 1.18 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 0.00 0.00 13 L 8.28 4.50 0.00 1.54 1.52 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.93 5.28 0.00 3.07 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 10.16 4.66 0.00 1.61 1.63 0.92 0.69 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 16 V 9.64 4.19 2.18 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 0.90 0.00 0.00 0.98 0.00 0.00 17 D 8.28 4.62 0.00 2.97 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.36 0.00 2.17 2.20 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 19 Q 8.31 4.09 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 20 I 7.58 4.49 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.93 0.00 0.00 21 Q 8.27 4.71 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 22 L 8.46 4.55 0.00 1.83 1.61 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.19 6.01 4.29 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 1.30 0.00 0.00 24 I 8.10 4.61 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.91 0.00 0.00 25 T 7.83 3.43 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *39 D 8.49 4.23 0.00 2.81 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 40 P 0.00 4.08 0.00 2.11 2.03 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 41 K 8.75 4.43 0.00 2.13 2.08 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.52 7.81 42 V 8.02 5.49 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 43 Y 8.76 4.89 0.00 2.97 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 44 P 0.00 4.79 0.00 2.14 2.26 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 45 I 8.05 4.78 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.95 0.00 0.00 46 I 8.55 5.03 2.03 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 0.91 0.00 0.00 47 L 8.98 5.01 0.00 1.58 1.58 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.54 3.73 0.00 1.83 2.01 0.00 3.47 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 49 L 8.17 3.47 0.00 1.80 1.79 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.71 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 51 S 7.62 4.83 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.23 4.87 0.00 2.60 2.65 0.00 0.00 6.79 7.78 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 53 L 7.94 3.99 0.00 1.65 1.63 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.39 4.79 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 5.05 0.00 1.76 1.43 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.52 5.08 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.20 4.68 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 58 A 8.52 5.88 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.45 4.87 0.00 1.74 1.78 0.00 3.37 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 60 R 8.61 2.51 0.00 1.49 1.52 0.00 3.22 0.00 0.00 2.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 61 N 7.58 4.49 0.00 2.71 2.69 0.00 0.00 7.18 7.48 0.00 0.00 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 7.76 4.48 0.00 1.61 1.61 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.81 4.81 0.00 2.67 2.67 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 64 S 7.85 4.73 0.00 3.80 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 65 L 8.51 4.70 0.00 1.74 1.70 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.23 4.07 0.00 2.09 2.11 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 2.25 2.24 0.00 67 A 7.34 4.21 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 68 R 8.48 3.92 0.00 1.83 2.10 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 69 A 9.01 4.27 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.06 0.00 2.78 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.53 4.14 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 72 S 8.67 4.94 0.00 3.95 3.80 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 73 T 9.38 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 74 P 0.00 4.45 0.00 1.93 2.02 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 75 I 8.42 4.50 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.92 0.00 0.00 76 V 8.47 3.67 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 0.68 0.00 0.00 0.93 0.00 0.00 77 V 8.21 4.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 78 Q 8.21 4.56 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 79 M 7.92 4.73 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 80 T 9.70 4.69 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 1.20 0.00 0.00 81 K 8.66 4.65 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.46 7.81 82 L 8.65 4.75 0.00 1.53 1.48 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.92 4.40 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.81 4.51 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 1.25 0.00 0.00 85 T 8.41 3.99 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 86 E 7.95 4.09 0.00 1.99 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 2.32 2.28 0.00 87 E 7.99 4.09 0.00 2.01 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 2.32 2.38 0.00 88 L 7.24 4.12 0.00 1.67 1.32 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.81 0.00 2.32 2.09 0.00 3.30 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.05 0.00 90 D 8.94 4.60 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 4.64 0.00 2.00 2.03 0.00 0.00 0.00 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 2.27 0.00 92 F 7.68 5.15 0.00 3.24 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 93 V 8.43 4.30 2.02 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 0.63 0.00 0.00 1.05 0.00 0.00 94 V 8.14 4.66 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 0.86 0.00 0.00 1.20 0.00 0.00 95 V 8.65 3.96 2.11 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 0.89 0.00 0.00 0.96 0.00 0.00 96 T 8.24 4.17 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 97 A 8.36 4.32 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 98 K 7.85 4.17 0.00 1.85 1.80 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.