NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8758 8.3549 109.7359 45.2039 0.0000 173.1182 2 K 4.1848 8.5074 122.6414 52.8457 32.9588 174.6677 3 K 4.4942 8.2550 123.8656 55.3218 35.4125 176.7687 4 S 4.5184 8.2027 116.5674 57.3755 65.7639 175.0869 5 K 3.8306 8.5451 122.1982 59.5781 31.7798 178.6224 6 A 3.9599 7.8658 120.4670 55.5384 18.4904 179.4117 7 T 3.8250 7.7067 113.8322 66.8516 68.5320 176.7241 8 K 3.9740 8.3450 121.5391 59.2668 32.1826 179.1542 9 K 4.0055 7.8463 118.5524 59.3702 31.9935 179.5592 10 R 3.9429 8.1083 118.3541 59.3017 30.0327 179.1370 11 L 4.0089 8.1635 118.6164 57.6217 41.5626 179.4291 12 A 3.9931 7.9707 120.7371 54.9211 18.2986 179.5580 13 K 3.8330 8.1364 118.0545 59.7972 32.4309 178.8113 14 L 4.0231 7.9940 119.1911 57.9871 41.2729 179.1898 15 D 4.3245 7.8859 116.9749 57.4270 41.5052 177.5663 16 N 4.4688 8.1326 117.6103 56.7150 38.7326 176.8986 17 Q 4.1271 8.3796 119.0528 58.3441 28.7929 177.2822 18 N 4.6573 7.6130 115.3651 53.3106 38.9773 174.6327 19 S 4.5224 7.1295 113.6783 57.3337 64.6012 173.6570 20 R 4.1357 8.0300 121.1290 55.2514 30.6601 175.7559 21 V 3.6518 8.0116 121.5183 61.2986 32.0193 173.8985 22 P 4.0622 0.0000 0.0000 63.0117 31.3984 176.6678 23 A 3.9667 8.8834 124.3295 55.3223 18.6173 179.7880 24 W 4.2946 8.1544 112.9766 59.6700 28.1428 178.5872 25 V 3.2873 6.8513 119.1004 65.7505 30.6995 177.7509 26 M 3.9786 7.5888 118.6317 58.4943 31.8617 178.8185 27 L 4.0030 7.8572 118.3920 57.7198 41.7760 179.3146 28 K 4.1631 8.3175 118.4023 58.5956 32.1371 177.7873 29 T 4.4722 7.5634 107.4218 60.3091 69.1671 173.5549 30 D 4.3236 8.8378 119.3712 55.2920 39.2775 170.1842 31 R 3.7320 7.9895 124.0305 55.5754 30.7644 176.6764 *35 R 3.7973 8.2911 120.9619 56.0299 29.7524 173.6303 36 N 4.4606 8.2860 123.3505 52.8862 38.7687 174.6526 37 H 4.5995 8.5727 122.5938 56.8540 29.2558 175.9553 38 K 4.6260 7.8190 119.5945 55.7634 32.6271 176.6776 39 R 4.0654 8.1253 118.3844 55.8928 30.5466 176.2935 40 R 4.5000 8.4937 123.0586 54.5905 32.3092 174.0038 41 H 4.7782 8.5256 125.1421 54.2187 31.2608 175.6790 42 W 4.1787 8.4004 123.0330 59.4461 28.1958 177.3805 43 R 3.8361 6.0929 117.7044 58.4543 29.7712 177.5566 44 R 3.8721 7.7697 115.1526 58.3332 30.2053 176.2624 45 N 4.8953 7.8951 114.2170 51.4194 40.9838 173.3353 46 D 4.6026 8.1582 117.7096 53.0968 43.7023 175.1881 47 T 4.2846 8.3865 117.0019 60.9005 70.4123 173.1575 48 D 4.6084 8.2383 121.8413 53.9895 42.4246 176.7821 49 E 4.1130 8.6099 118.4100 57.2022 29.1927 174.7562 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 3.88 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 2 K 8.51 4.18 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.25 4.49 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 4 S 8.20 4.52 0.00 4.07 4.04 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 5 K 8.55 3.83 0.00 1.84 1.85 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 1.52 7.81 6 A 7.87 3.96 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 7.71 3.83 4.47 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 1.25 0.00 0.00 8 K 8.35 3.97 0.00 1.89 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.85 4.01 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.74 7.81 10 R 8.11 3.94 0.00 2.03 1.98 0.00 3.49 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 11 L 8.16 4.01 0.00 1.69 1.72 0.92 0.63 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 12 A 7.97 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.83 0.00 1.85 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.99 4.02 0.00 1.93 1.74 0.93 0.85 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 15 D 7.89 4.32 0.00 2.68 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 16 N 8.13 4.47 0.00 2.86 2.90 0.00 0.00 7.27 6.82 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 17 Q 8.38 4.13 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 18 N 7.61 4.66 0.00 2.98 2.96 0.00 0.00 7.17 7.44 0.00 0.00 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 7.13 4.52 0.00 4.01 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 20 R 8.03 4.14 0.00 1.78 1.84 0.00 3.21 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 V 8.01 3.65 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 0.68 0.00 0.00 0.87 0.00 0.00 22 P 0.00 4.06 0.00 1.33 2.06 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.66 0.00 23 A 8.88 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.29 0.00 3.56 3.34 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 25 V 6.85 3.29 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 0.79 0.00 0.00 -0.40 0.00 0.00 26 M 7.59 3.98 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 27 L 7.86 4.00 0.00 1.93 1.77 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.32 4.16 0.00 2.02 2.16 0.00 2.11 0.00 0.00 2.09 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.57 7.81 29 T 7.56 4.47 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 30 D 8.84 4.32 0.00 2.83 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 R 7.99 3.73 0.00 1.95 1.96 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *35 R 8.29 3.80 0.00 1.74 1.83 0.00 3.23 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 36 N 8.29 4.46 0.00 2.64 2.68 0.00 0.00 7.28 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 8.57 4.60 0.00 3.16 3.31 0.00 5.90 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 7.82 4.63 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.13 4.07 0.00 1.79 1.88 0.00 3.13 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 40 R 8.49 4.50 0.00 1.73 1.80 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 41 H 8.53 4.78 0.00 3.15 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.40 4.18 0.00 3.51 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 43 R 6.09 3.84 0.00 0.67 1.22 0.00 2.61 0.00 0.00 2.91 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 44 R 7.77 3.87 0.00 1.71 1.89 0.00 3.30 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 45 N 7.90 4.90 0.00 2.98 2.76 0.00 0.00 6.71 7.65 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 46 D 8.16 4.60 0.00 2.57 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 8.39 4.28 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 1.24 0.00 0.00 48 D 8.24 4.61 0.00 2.69 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 49 E 8.61 4.11 0.00 2.14 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 0.00 2.20 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.