NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4205 8.1814 115.2897 57.8735 63.5068 174.4531 2 G 3.5313 8.6256 115.2493 47.2668 0.0000 173.9169 3 I 3.8053 7.8257 121.9793 64.3108 37.7521 176.8307 4 V 3.6541 7.9208 119.1033 65.8101 31.4169 177.8782 5 Q 4.0344 8.4642 119.9422 58.9408 28.7624 178.0561 6 Q 4.0510 7.8777 119.0298 58.6750 28.7155 178.4173 7 Q 3.9634 7.9800 118.8681 58.9806 28.7175 178.1739 8 N 4.2763 7.9412 117.5283 56.8519 38.9394 176.5146 9 N 4.3106 7.9200 117.1190 56.3448 38.6897 177.3882 10 L 3.9767 8.1995 120.6041 57.6103 41.6813 179.2085 11 L 3.9199 8.2774 120.6023 58.2790 41.9453 178.9839 12 R 4.0454 8.1837 117.8131 59.5544 30.0181 178.7921 13 A 3.9919 8.0521 120.1383 55.3672 18.3590 179.7808 14 I 3.6648 7.7728 118.2417 64.5321 37.0270 178.5527 15 E 3.9575 8.3872 119.4132 59.3417 29.2804 179.2928 16 A 4.1257 8.3836 121.1814 55.2433 18.3636 179.7052 17 Q 4.0529 8.4500 116.6343 58.7244 28.7370 178.5630 18 Q 3.9498 7.9400 120.9982 59.1445 28.9394 177.8858 19 H 4.1656 7.9651 117.5270 58.7683 28.8523 177.2303 20 L 3.9439 7.8946 122.1820 58.2612 41.8373 178.8477 21 L 3.9793 8.2459 120.2799 58.4328 42.1837 179.0623 22 Q 4.1530 8.2863 117.6220 58.5513 28.5832 178.6493 23 L 4.1569 8.1968 120.8457 58.0188 41.7222 179.4632 24 T 4.1011 8.1353 115.8183 66.3196 68.2593 177.1647 25 V 3.7534 8.0875 120.4193 65.6964 31.6306 177.5627 26 W 4.3723 8.2690 127.8593 60.7812 30.4047 177.9102 27 G 3.7828 8.6448 105.3396 48.2675 0.0000 175.6339 28 T 3.9733 8.1220 117.9198 66.4720 68.6955 176.8667 29 K 4.0235 8.5476 120.7268 59.6399 31.5556 179.3555 30 Q 3.7247 7.6808 118.2214 58.7371 28.2772 178.9692 31 L 3.7006 7.2995 118.8525 57.7622 41.9886 178.6373 32 Q 3.4706 7.9143 119.3318 59.7730 28.4814 177.8218 33 A 3.9102 7.7195 120.2474 53.3311 18.1177 178.5561 34 R 3.4996 7.1406 121.3004 59.3477 30.9946 177.8079 *36 L 3.9430 7.5292 117.9447 55.1897 42.4447 175.0582 *37 S 3.9447 8.4050 122.0638 58.8557 62.2137 170.0278 38 G 3.6180 8.5197 112.9740 43.9967 0.0000 174.2805 39 G 4.7147 8.1441 117.3554 44.5714 0.0000 169.8949 40 R 3.5715 7.8183 125.0391 56.5861 26.5216 177.0257 41 G 4.1472 8.6073 110.9320 45.1699 0.0000 173.6897 42 G 3.7654 7.5336 106.7533 47.7790 0.0000 174.4587 43 W 4.7203 8.3096 120.2602 57.4029 29.9575 178.0378 44 M 4.1850 8.3967 122.2022 60.2046 30.7227 182.9218 45 E 4.1557 8.2846 119.9856 58.5482 29.8258 178.4041 46 W 4.3093 8.2122 129.3622 60.0168 30.7770 177.1678 47 D 4.2813 8.8967 118.2745 57.2995 40.6695 178.1636 48 R 3.8368 8.2643 119.4095 59.5838 29.9751 178.2864 49 E 3.8328 8.4980 118.6851 59.5234 29.3817 179.5207 50 I 3.7822 7.4835 119.7694 64.4056 37.0213 178.2959 51 N 4.3820 8.1259 117.4018 56.0660 38.2983 177.3046 52 N 4.1802 8.0506 117.9769 56.5284 38.6137 177.0694 53 Y 4.0889 7.6406 117.9722 61.2536 37.8527 178.5425 54 T 3.7553 8.2665 117.1111 66.8424 68.6130 176.4460 55 S 4.0296 8.1421 114.8659 61.1882 62.2862 175.9444 56 L 3.9014 7.9216 122.9625 58.1382 41.8743 178.8347 57 I 3.6879 8.3341 120.0062 64.9835 37.0353 178.0109 58 H 4.2942 8.3928 117.1140 58.9248 28.4618 177.7713 59 S 4.0738 8.0718 114.7404 61.3986 62.2091 176.1877 60 L 3.9796 8.1619 121.8070 57.9832 41.3334 179.5181 61 I 3.6790 8.1903 120.0584 64.3010 37.0514 177.9233 62 E 3.9070 8.4220 120.2116 59.5933 29.5043 178.8535 63 E 4.0100 8.3208 118.4333 59.4217 29.4772 179.5959 64 S 4.1171 8.3995 115.6071 61.7122 62.7976 176.5418 65 Q 4.0921 8.3695 122.4578 58.9843 28.7676 177.9263 66 N 4.2895 7.9548 117.7641 56.8539 39.1109 177.0108 67 Q 4.0316 8.5462 119.8689 58.8625 28.5967 178.6316 68 Q 3.9725 8.5055 121.1672 59.3001 29.0317 178.2120 69 E 4.0227 8.0359 119.5623 59.0803 29.2971 179.0958 70 K 4.1261 8.0903 119.4935 58.9851 32.1118 178.3718 71 N 4.4638 8.1964 116.5577 55.4726 38.4011 177.0131 72 E 4.1013 7.8883 119.3694 58.3333 29.6265 178.5126 73 Q 4.2467 7.4163 115.6766 58.8048 29.4084 177.7463 74 E 4.0795 7.6282 119.4643 58.8886 29.7813 176.9310 75 L 4.1808 7.5857 122.1404 55.0510 41.7192 177.0325 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 S 8.18 4.42 0.00 3.87 3.82 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 2 G 8.63 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.83 3.81 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 1.52 1.12 0.91 0.00 0.00 4 V 7.92 3.65 2.20 0.00 0.00 0.00 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 0.93 0.00 0.00 5 Q 8.46 4.03 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 6 Q 7.88 4.05 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 7 Q 7.98 3.96 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 8 N 7.94 4.28 0.00 2.75 3.01 0.00 0.00 7.29 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 9 N 7.92 4.31 0.00 3.14 2.85 0.00 0.00 7.06 6.46 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 10 L 8.20 3.98 0.00 1.81 1.71 0.92 0.49 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 11 L 8.28 3.92 0.00 1.79 1.91 0.92 0.94 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 12 R 8.18 4.05 0.00 2.11 1.98 0.00 3.19 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 1.66 2.00 0.00 13 A 8.05 3.99 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 14 I 7.77 3.66 2.07 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 1.52 1.23 0.91 0.00 0.00 15 E 8.39 3.96 0.00 2.22 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 0.00 2.33 2.47 0.00 16 A 8.38 4.13 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 17 Q 8.45 4.05 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 18 Q 7.94 3.95 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 19 H 7.97 4.17 0.00 3.39 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.89 3.94 0.00 1.93 1.83 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.25 3.98 0.00 2.03 1.81 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.29 4.15 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 23 L 8.20 4.16 0.00 1.94 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.14 4.10 4.43 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 1.30 0.00 0.00 25 V 8.09 3.75 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.96 0.00 0.00 26 W 8.27 4.37 0.00 3.64 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 3.78 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 0.00 0.00 0.00 28 T 8.12 3.97 4.76 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 1.54 0.00 0.00 29 K 8.55 4.02 0.00 1.86 1.85 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.44 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.85 1.98 7.81 30 Q 7.68 3.72 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 31 L 7.30 3.70 0.00 1.72 1.62 0.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.91 3.47 0.00 1.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 33 A 7.72 3.91 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 34 R 7.14 3.50 0.00 1.82 1.89 0.00 3.41 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 *36 L 7.53 3.94 0.00 1.73 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *37 S 8.41 3.94 0.00 3.81 3.82 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 38 G 8.52 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.14 4.71 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 40 R 7.82 3.57 0.00 2.14 2.02 0.00 3.28 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 41 G 8.61 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 0.00 0.00 0.00 43 W 8.31 4.72 0.00 3.31 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.40 4.19 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 45 E 8.28 4.16 0.00 2.13 2.04 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 2.40 2.45 0.00 46 W 8.21 4.31 0.00 3.15 3.23 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 0.00 47 D 8.90 4.28 0.00 3.29 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 48 R 8.26 3.84 0.00 2.01 2.05 0.00 3.16 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 49 E 8.50 3.83 0.00 2.01 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 2.29 2.58 0.00 50 I 7.48 3.78 1.65 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.06 0.75 0.00 0.00 51 N 8.13 4.38 0.00 2.85 2.83 0.00 0.00 7.02 7.08 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 52 N 8.05 4.18 0.00 2.60 2.47 0.00 0.00 6.97 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 53 Y 7.64 4.09 0.00 3.07 2.88 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 54 T 8.27 3.76 4.36 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 1.09 0.00 0.00 55 S 8.14 4.03 0.00 3.85 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 56 L 7.92 3.90 0.00 1.87 1.93 0.92 0.96 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 57 I 8.33 3.69 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.47 0.91 0.00 0.00 58 H 8.39 4.29 0.00 3.15 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.07 4.07 0.00 3.99 4.03 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 0.00 0.00 0.00 60 L 8.16 3.98 0.00 1.87 1.71 0.93 0.96 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 61 I 8.19 3.68 2.09 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 1.41 0.76 0.91 0.00 0.00 62 E 8.42 3.91 0.00 2.25 2.19 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 2.31 2.36 0.00 63 E 8.32 4.01 0.00 2.19 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 2.33 2.35 0.00 64 S 8.40 4.12 0.00 4.02 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 4.09 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 66 N 7.95 4.29 0.00 2.88 2.98 0.00 0.00 7.16 7.16 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 67 Q 8.55 4.03 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 68 Q 8.51 3.97 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 69 E 8.04 4.02 0.00 2.00 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 2.33 2.58 0.00 70 K 8.09 4.13 0.00 2.01 1.91 0.00 1.51 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.76 7.81 71 N 8.20 4.46 0.00 2.79 2.84 0.00 0.00 6.88 6.99 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 72 E 7.89 4.10 0.00 2.04 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 2.34 2.50 0.00 73 Q 7.42 4.25 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 74 E 7.63 4.08 0.00 2.02 2.04 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 2.34 2.43 0.00 75 L 7.59 4.18 0.00 1.77 1.58 0.92 1.13 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 * Residues marked with a * may have inaccurate shift predictions.