NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8390 8.3549 109.7356 45.3422 0.0000 173.0692 2 K 4.2506 8.3380 118.7902 52.4276 33.0738 174.7961 3 K 4.3318 8.2701 124.0617 55.8690 35.0269 177.0933 4 S 4.5785 8.1580 116.3991 57.0679 66.0830 175.1371 5 K 3.8852 8.4161 121.3757 59.5795 31.8486 178.3848 6 A 3.9852 7.9015 120.5603 55.4494 18.3457 179.5329 7 T 3.8158 7.7442 113.8911 66.6532 68.5281 176.6902 8 K 3.8954 8.2477 121.5858 59.3941 32.1574 178.9884 9 K 3.9765 7.9649 118.7083 59.5527 32.0095 179.4887 10 R 3.9415 8.0805 118.2577 59.4036 30.0167 179.2237 11 L 4.0202 8.2983 118.6971 57.4319 41.5489 179.3931 12 A 3.9818 8.1161 120.9441 55.0241 18.3413 179.4923 13 K 3.8708 8.1514 118.0911 59.7967 32.0549 178.9185 14 L 4.0809 7.8504 117.9720 57.8349 41.9078 178.7670 15 D 4.4691 8.2895 118.0988 57.2713 41.0500 177.8316 16 N 4.3607 8.2592 117.6714 56.7447 38.8178 176.6982 17 Q 4.1937 8.3944 118.1291 57.7681 28.7669 176.8625 18 N 4.7777 7.5580 117.3357 52.9130 39.1087 174.5013 19 S 4.5320 7.2872 114.4563 57.1864 64.6706 173.2811 20 R 4.3365 8.0019 120.5559 54.5035 31.1168 175.7106 21 V 3.6306 8.0903 121.8335 61.7602 31.9068 174.0814 22 P 4.3363 0.0000 0.0000 63.0569 31.7980 176.7564 23 A 3.9713 9.0023 122.9510 55.3934 18.2342 180.1230 24 W 4.2105 8.4817 114.5019 59.8572 27.8831 178.4473 25 V 2.7539 6.6360 118.6404 65.2150 30.7352 178.0592 26 M 3.9570 7.8541 119.0232 58.3141 31.5544 178.6228 27 L 4.0196 7.7665 118.6955 57.6533 41.6989 179.2932 28 K 4.0991 8.2007 118.7174 58.4142 32.2149 177.8614 29 T 4.3949 7.2486 107.2165 60.3001 69.3671 173.6464 30 D 4.2966 8.3849 119.7066 55.3240 39.2315 170.5290 31 E 3.8006 7.9039 122.5558 55.8539 30.1373 174.6078 *35 R 3.8441 8.2867 120.1231 56.0299 30.9578 174.6886 36 N 4.6671 8.2389 121.0965 52.0946 39.0395 174.4027 37 H 4.5328 8.5318 122.2592 57.0753 29.0950 176.4215 38 K 4.5470 8.0346 118.5681 55.9318 32.1661 176.5560 39 R 3.9783 7.4492 118.0108 56.3302 30.2699 176.3814 40 R 4.4583 8.3284 121.8953 54.6636 32.5547 173.8486 41 H 4.6709 8.6200 125.5368 54.8035 30.8884 175.9939 42 W 4.2244 8.3366 122.7479 59.2192 28.4316 177.4136 43 R 3.8088 6.2264 117.9213 58.4793 29.7466 177.6231 44 R 3.9368 7.7069 114.8366 58.0769 30.2915 176.0453 45 N 4.9584 7.7686 114.0101 51.2666 41.1291 173.2282 46 D 4.7613 8.2032 117.7344 52.7865 43.9509 175.2132 47 T 4.3399 8.3387 116.3566 60.6298 70.6068 173.2292 48 D 4.6200 8.1982 121.8598 53.7753 42.4653 176.8136 49 E 4.1717 8.6606 118.4079 56.9714 28.8590 175.0224 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 1 G 8.35 3.84 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 0.00 0.00 0.00 2 K 8.34 4.25 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.27 4.33 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.16 4.58 0.00 4.07 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 0.00 5 K 8.42 3.89 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.99 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 7 T 7.74 3.82 4.45 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 1.26 0.00 0.00 8 K 8.25 3.90 0.00 1.92 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.96 3.98 0.00 2.04 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 8.08 3.94 0.00 2.03 1.99 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 11 L 8.30 4.02 0.00 1.68 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.12 3.98 1.41 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 0.00 0.00 13 K 8.15 3.87 0.00 1.85 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.85 4.08 0.00 1.85 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.29 4.47 0.00 2.81 2.86 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 16 N 8.26 4.36 0.00 2.86 2.96 0.00 0.00 7.24 6.28 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 17 Q 8.39 4.19 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 18 N 7.56 4.78 0.00 3.04 2.89 0.00 0.00 7.14 6.93 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 19 S 7.29 4.53 0.00 3.99 3.99 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 20 R 8.00 4.34 0.00 1.79 1.87 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 21 V 8.09 3.63 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 0.72 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.34 0.00 2.52 2.45 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.21 0.00 23 A 9.00 3.97 1.41 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 0.00 0.00 24 W 8.48 4.21 0.00 3.66 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.64 2.75 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 0.64 0.00 0.00 -0.65 0.00 0.00 26 M 7.85 3.96 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 27 L 7.77 4.02 0.00 1.89 1.75 0.99 0.73 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 28 K 8.20 4.10 0.00 1.95 1.73 0.00 2.16 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.52 7.81 29 T 7.25 4.39 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 1.17 0.00 0.00 30 D 8.38 4.30 0.00 2.80 2.76 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 31 E 7.90 3.80 0.00 2.13 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 0.00 2.20 2.24 0.00 *35 R 8.29 3.84 0.00 1.73 1.64 0.00 3.19 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.24 4.67 0.00 2.65 2.66 0.00 0.00 7.24 7.89 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 37 H 8.53 4.53 0.00 3.16 3.34 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 4.55 0.00 1.88 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 R 7.45 3.98 0.00 1.84 1.88 0.00 3.14 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 40 R 8.33 4.46 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.62 4.67 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.34 4.22 0.00 3.51 3.14 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 43 R 6.23 3.81 0.00 0.67 1.26 0.00 2.44 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.24 0.00 44 R 7.71 3.94 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 45 N 7.77 4.96 0.00 2.91 2.74 0.00 0.00 6.69 8.16 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 46 D 8.20 4.76 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.34 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 1.25 0.00 0.00 48 D 8.20 4.62 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.66 4.17 0.00 2.09 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 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.