NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.9276 8.0249 121.4267 61.3914 37.9968 174.5727 2 T 4.0772 8.1248 122.9577 61.2064 69.7841 172.4045 3 Y 4.6297 8.0025 125.6047 57.8956 39.7297 174.8065 4 T 4.7580 8.4727 113.4618 59.1416 72.8578 172.7616 5 D 4.9543 8.7311 120.9741 54.8881 41.2855 177.9672 6 C 4.5336 9.2859 121.1633 57.6405 40.8387 173.8942 7 T 4.2230 9.9372 121.5929 64.5631 69.4344 175.0878 8 E 4.8082 7.9111 118.5582 54.0081 33.3607 175.1620 9 S 4.3795 8.4484 117.4206 60.0019 63.5782 174.7810 10 G 3.8860 10.6878 111.8726 46.0537 0.0000 172.7454 11 Q 4.8876 7.5492 117.8982 54.0892 30.6805 174.5998 12 N 5.3608 10.4983 117.5856 51.4226 40.3249 173.6845 13 L 3.9482 9.3041 115.8713 55.2560 39.4227 172.2372 14 C 4.9165 7.4214 109.7140 54.1241 40.1995 172.9236 15 L 4.4864 8.8548 121.8839 55.1958 40.2998 175.4479 16 C 4.6593 7.8785 123.2129 56.9008 44.4877 173.8180 17 E 4.2915 7.8453 128.0939 55.6148 29.4793 177.0719 18 G 3.9496 8.1544 116.7821 47.0764 0.0000 173.3125 19 S 4.7673 8.5551 114.0515 58.8720 63.7161 173.4361 20 N 5.0504 7.5366 116.1854 51.1173 41.2827 175.4381 21 V 3.9246 8.4250 123.4138 63.1298 32.8614 175.9975 22 C 4.6363 8.9238 126.9171 54.7442 42.1829 173.7143 23 G 3.8115 8.2105 114.8079 45.2376 0.0000 171.3474 24 K 4.0734 8.4189 118.9844 57.6463 32.7696 177.9757 25 G 3.9364 9.0174 109.4668 45.6348 0.0000 172.1536 26 N 5.8026 7.7350 116.2576 51.4966 42.9316 173.2024 27 K 4.6536 9.7941 118.7957 55.8356 36.5123 173.9969 28 C 5.0088 8.6621 121.8175 55.3126 40.9589 172.6735 29 I 4.2984 9.3978 128.8113 59.7817 37.3027 175.0186 30 L 4.5465 9.1274 129.4697 53.9516 38.8908 179.1192 31 G 4.6002 7.7401 117.0442 44.8541 0.0000 174.5193 *36 G 3.7951 8.8287 113.9628 46.0224 0.0000 170.3087 37 N 5.5206 8.5445 116.4622 51.9778 40.4816 175.0498 38 Q 4.6519 9.1541 120.0402 54.3906 32.9530 173.8409 39 C 4.8771 10.3347 126.0835 55.7990 41.9747 172.9670 40 V 4.5339 9.5189 120.6072 59.5388 33.8159 176.1698 41 T 4.1556 7.8862 119.4447 63.9964 69.0238 173.0160 42 G 4.0253 7.9303 111.5892 44.1912 0.0000 174.4595 43 E 4.2929 8.5685 119.1754 55.5455 30.1576 177.3904 44 G 4.0816 8.2135 114.0884 44.5696 0.0000 171.7052 45 T 4.9293 8.6000 116.0133 60.7099 71.8603 172.3549 46 P 5.1677 0.0000 0.0000 61.7491 32.2234 176.0781 47 K 4.0522 9.1230 125.8718 56.1874 32.5199 174.8105 48 P 4.4467 0.0000 0.0000 62.0491 32.1115 175.7165 49 E 3.9747 8.6913 121.3882 56.6329 29.9752 176.7545 50 S 4.5318 8.4916 120.5020 57.8970 64.4059 173.6793 51 H 4.7277 8.6158 119.5183 54.3818 29.4478 174.2880 52 N 4.7749 8.3749 127.8008 51.1209 37.3536 173.8486 53 N 4.0094 7.8170 114.0958 54.4919 39.7026 172.9717 54 G 3.5827 7.4600 111.6425 45.5685 0.0000 173.5741 55 D 4.8960 6.9067 119.2473 52.2546 39.8007 176.3255 56 F 4.2843 7.8313 117.7768 58.2045 39.9844 175.8571 57 E 4.3222 8.6670 124.4185 55.0992 30.3050 176.2381 58 E 3.8928 8.6985 118.8430 57.1441 29.5357 176.6675 59 I 4.5541 8.0689 116.3017 57.6466 40.3913 173.4843 60 P 4.2848 0.0000 0.0000 63.2423 31.6512 177.3130 61 E 4.1578 8.9152 121.0093 58.0516 29.9127 178.6101 62 E 3.8538 8.0830 117.4992 59.2864 29.5541 177.5995 63 Y 4.3651 7.7665 116.0029 59.5561 38.2898 176.2052 64 L 4.3399 7.8570 117.9182 55.3340 42.1315 176.9033 65 Q 4.2030 7.8691 123.1020 56.0237 28.8404 175.4391 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 I 8.02 3.93 1.62 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.42 0.00 0.00 2 T 8.12 4.08 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 1.19 0.00 0.00 3 Y 8.00 4.63 0.00 2.95 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 4 T 8.47 4.76 4.27 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 1.23 0.00 0.00 5 D 8.73 4.95 0.00 2.60 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 6 C 9.29 4.53 0.00 2.91 3.15 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 7 T 9.94 4.22 4.35 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 1.22 0.00 0.00 8 E 7.91 4.81 0.00 1.97 1.78 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 2.28 2.29 0.00 9 S 8.45 4.38 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.69 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.55 4.89 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 12 N 10.50 5.36 0.00 3.17 3.06 0.00 0.00 7.01 6.55 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 13 L 9.30 3.95 0.00 1.83 1.94 0.97 0.54 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 14 C 7.42 4.92 0.00 3.32 3.18 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 15 L 8.85 4.49 0.00 1.93 1.84 1.03 0.85 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 16 C 7.88 4.66 0.00 2.91 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 17 E 7.85 4.29 0.00 2.05 1.89 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 0.00 2.35 2.28 0.00 18 G 8.15 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 0.00 0.00 0.00 19 S 8.56 4.77 0.00 3.88 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 20 N 7.54 5.05 0.00 2.81 2.65 0.00 0.00 6.71 7.56 0.00 0.00 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 V 8.43 3.92 1.67 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 -0.39 0.00 0.00 0.65 0.00 0.00 22 C 8.92 4.64 0.00 2.96 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 23 G 8.21 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 0.00 0.00 0.00 24 K 8.42 4.07 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.38 7.81 25 G 9.02 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 26 N 7.73 5.80 0.00 2.68 2.71 0.00 0.00 6.48 7.38 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 27 K 9.79 4.65 0.00 1.60 1.92 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 28 C 8.66 5.01 0.00 3.01 3.05 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 29 I 9.40 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 1.22 0.89 0.91 0.00 0.00 30 L 9.13 4.55 0.00 1.49 1.64 0.96 1.18 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 31 G 7.74 4.60 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 0.00 0.00 0.00 *36 G 8.83 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 0.00 0.00 0.00 37 N 8.54 5.52 0.00 2.70 2.74 0.00 0.00 6.66 7.69 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 38 Q 9.15 4.65 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 39 C 10.33 4.88 0.00 2.84 3.11 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 40 V 9.52 4.53 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 0.73 0.00 0.00 0.96 0.00 0.00 41 T 7.89 4.16 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 42 G 7.93 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 0.00 0.00 0.00 43 E 8.57 4.29 0.00 1.76 1.78 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 2.19 1.88 0.00 44 G 8.21 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.60 4.93 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 46 P 0.00 5.17 0.00 2.10 2.09 0.00 3.40 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 47 K 9.12 4.05 0.00 1.77 1.82 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.44 7.81 48 P 0.00 4.45 0.00 2.24 2.05 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 49 E 8.69 3.97 0.00 1.98 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 2.32 2.31 0.00 50 S 8.49 4.53 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.62 4.73 0.00 3.08 3.32 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.37 4.77 0.00 2.82 2.90 0.00 0.00 6.18 8.04 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 53 N 7.82 4.01 0.00 3.02 2.98 0.00 0.00 6.32 7.00 0.00 0.00 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 G 7.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.91 4.90 0.00 2.58 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 56 F 7.83 4.28 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 4.32 0.00 2.01 1.91 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 2.31 2.31 0.00 58 E 8.70 3.89 0.00 2.10 2.06 0.00 0.00 0.00 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 2.38 0.00 59 I 8.07 4.55 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.94 0.00 0.00 60 P 0.00 4.28 0.00 2.34 2.14 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.28 0.00 61 E 8.92 4.16 0.00 2.16 2.23 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 2.36 2.29 0.00 62 E 8.08 3.85 0.00 1.87 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 1.55 1.47 0.00 63 Y 7.77 4.37 0.00 3.12 2.99 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 64 L 7.86 4.34 0.00 1.71 1.73 0.95 0.86 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 65 Q 7.87 4.20 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.