NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2079 8.3049 120.3568 55.5760 32.5547 179.3714 2 V 3.0764 7.5275 118.1550 58.4036 28.5596 171.8507 3 D 5.3160 9.1239 126.1847 52.8448 44.5504 175.2117 4 Y 4.7532 8.8207 119.3617 56.2158 42.1981 174.1194 5 I 5.0539 8.9162 120.1177 59.1537 41.4437 174.7663 6 V 4.1470 8.5511 128.9427 63.2840 32.0475 176.1518 7 E 4.4730 9.2262 124.2052 56.2858 32.2629 175.8447 8 Y 4.7691 7.9281 115.3089 56.0303 41.7584 175.2195 9 D 5.0778 9.0927 123.4213 54.8957 42.4967 174.6202 10 Y 4.6574 8.4344 117.1193 57.1780 42.8582 172.3367 11 D 5.0809 7.4928 124.9072 51.8906 42.9877 175.8812 12 A 4.2661 8.0748 125.0324 53.2649 18.3356 177.0808 13 V 3.7988 9.1179 122.3903 65.1900 32.5435 175.8763 14 H 4.6918 9.9742 117.8388 54.9528 29.7079 176.3133 15 D 4.3886 8.5973 124.2060 57.4675 41.6142 177.6127 16 D 4.5514 8.0554 116.3060 54.1974 40.0558 175.6167 17 E 5.0899 8.5856 120.7815 56.0435 30.9912 175.6073 18 L 4.7371 8.7635 121.4891 54.0067 44.2292 176.3177 19 T 4.9377 8.4437 116.9300 62.0427 70.2612 174.2015 20 I 4.7376 8.7821 119.9943 59.0320 41.2624 174.6764 21 R 5.2147 9.4067 122.6626 54.0626 33.6004 175.3911 22 V 3.6395 8.9151 122.6889 64.6489 31.9623 176.7856 23 G 4.0039 8.7503 113.4747 45.6026 0.0000 173.8106 24 E 4.3398 7.8508 119.3047 56.1318 31.2095 175.6311 25 I 4.9095 8.1723 122.2271 59.8555 39.2945 175.0756 26 I 4.4896 8.5635 128.3173 59.9878 39.1284 175.4608 27 R 5.6018 8.4955 124.6829 53.6035 33.4218 175.1303 28 N 3.9878 8.9831 115.4484 54.3972 37.4727 174.5208 29 V 4.2287 7.5844 115.2563 63.1162 32.2555 175.3202 30 K 4.7618 9.2441 127.1415 54.2783 35.7611 175.7740 31 K 4.4519 8.6384 124.4726 56.2884 33.2022 175.4963 32 L 4.8966 8.0688 123.4773 52.4901 45.7669 176.7956 33 Q 4.1353 8.8399 118.3292 59.2689 28.6376 178.2479 34 E 4.0282 7.9741 115.4381 56.5051 30.0303 175.9153 35 E 4.3194 8.7366 123.4324 56.3865 30.8658 176.3833 36 G 4.3656 9.2464 113.4162 45.1566 0.0000 172.2575 37 W 5.2886 7.5990 117.2989 54.7238 33.3096 174.5049 38 L 4.5811 8.3966 120.6941 52.9213 46.0012 174.9449 39 E 4.8981 8.8828 123.3098 54.9727 31.8033 175.2588 40 G 4.6300 9.3390 112.6036 45.5282 0.0000 170.2791 41 E 5.4558 8.7999 120.0251 54.4001 32.7242 174.9913 42 L 4.5857 9.6959 128.4288 54.5392 46.0317 174.9244 43 N 4.0780 9.5745 124.4432 54.7550 36.3230 174.1452 44 G 3.9642 7.9174 99.2283 45.8207 0.0000 172.7088 45 R 4.6365 7.4964 114.7198 55.2252 34.4469 173.9044 46 R 5.6980 7.7469 122.9077 54.1276 32.7103 175.3513 47 G 4.1871 8.3317 107.8123 45.8958 0.0000 172.1744 48 M 5.0621 8.7506 120.6350 55.0460 33.6422 175.7534 49 F 5.3613 8.4244 115.0800 54.8093 42.1987 171.3498 50 P 3.7617 0.0000 0.0000 62.9370 31.3933 176.6221 51 D 4.4720 8.8871 125.6924 54.9060 39.3363 177.1332 52 N 5.1426 7.9210 116.7416 52.8688 37.7690 175.0156 53 F 4.8495 8.4257 115.2704 58.0145 40.8799 174.9413 54 V 5.2743 7.4000 113.4012 60.0237 35.4405 174.1024 55 K 4.6348 8.6387 119.9337 56.0745 35.4259 176.2040 56 E 2.8636 8.8618 127.8362 56.0896 30.7364 175.6949 57 I 4.4230 7.7620 122.9972 59.3260 39.4475 175.5948 58 K 4.0620 8.6119 132.1456 56.9887 34.4039 174.9511 *59 R 4.1530 8.3086 119.4663 56.4593 30.0213 176.0135 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 M 8.30 4.21 0.00 2.00 1.62 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 2 V 7.53 3.08 2.24 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 0.88 0.00 0.00 1.13 0.00 0.00 3 D 9.12 5.32 0.00 2.60 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.82 4.75 0.00 2.93 2.98 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 5 I 8.92 5.05 1.88 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 1.12 1.69 0.99 0.00 0.00 6 V 8.55 4.15 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 1.01 0.00 0.00 0.94 0.00 0.00 7 E 9.23 4.47 0.00 1.84 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 8 Y 7.93 4.77 0.00 2.48 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 9 D 9.09 5.08 0.00 2.70 2.81 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 10 Y 8.43 4.66 0.00 2.67 2.62 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 11 D 7.49 5.08 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.07 4.27 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 13 V 9.12 3.80 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 0.72 0.00 0.00 0.99 0.00 0.00 14 H 9.97 4.69 0.00 3.24 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.60 4.39 0.00 2.64 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 16 D 8.06 4.55 0.00 2.85 2.84 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 17 E 8.59 5.09 0.00 2.01 2.29 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 2.09 2.31 0.00 18 L 8.76 4.74 0.00 1.66 1.66 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.44 4.94 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 1.22 0.00 0.00 20 I 8.78 4.74 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.80 0.00 0.00 21 R 9.41 5.21 0.00 1.93 1.83 0.00 3.46 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 22 V 8.92 3.64 2.05 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 0.71 0.00 0.00 1.06 0.00 0.00 23 G 8.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.34 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 25 I 8.17 4.91 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 1.34 0.84 0.98 0.00 0.00 26 I 8.56 4.49 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.26 0.75 0.00 0.00 27 R 8.50 5.60 0.00 1.82 1.90 0.00 3.30 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.40 0.00 28 N 8.98 3.99 0.00 2.84 2.89 0.00 0.00 6.95 7.71 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 29 V 7.58 4.23 2.53 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 0.63 0.00 0.00 1.21 0.00 0.00 30 K 9.24 4.76 0.00 1.61 1.64 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.50 7.81 31 K 8.64 4.45 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 L 8.07 4.90 0.00 1.57 1.47 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.84 4.14 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 34 E 7.97 4.03 0.00 1.91 1.93 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 2.25 2.22 0.00 35 E 8.74 4.32 0.00 1.94 1.88 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 2.25 2.30 0.00 36 G 9.25 4.37 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 0.00 37 W 7.60 5.29 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.40 4.58 0.00 0.60 0.95 0.40 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.88 4.90 0.00 1.94 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 2.25 2.29 0.00 40 G 9.34 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.80 5.46 0.00 2.09 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 2.23 0.00 42 L 9.70 4.59 0.00 1.65 1.42 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.57 4.08 0.00 2.86 2.82 0.00 0.00 7.07 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 44 G 7.92 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.50 4.64 0.00 1.94 1.85 0.00 3.07 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 46 R 7.75 5.70 0.00 1.73 1.85 0.00 3.67 0.00 0.00 3.93 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 47 G 8.33 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.75 5.06 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 49 F 8.42 5.36 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 50 P 0.00 3.76 0.00 1.76 0.88 0.00 3.24 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 51 D 8.89 4.47 0.00 2.73 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 52 N 7.92 5.14 0.00 2.77 2.87 0.00 0.00 5.87 7.43 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 53 F 8.43 4.85 0.00 3.26 3.20 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 0.00 0.00 0.00 0.00 54 V 7.40 5.27 2.43 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 1.21 0.00 0.00 1.17 0.00 0.00 55 K 8.64 4.63 0.00 2.06 1.61 0.00 1.75 0.00 0.00 2.12 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 56 E 8.86 2.86 0.00 1.69 1.58 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 1.80 1.47 0.00 57 I 7.76 4.42 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.87 0.00 0.00 58 K 8.61 4.06 0.00 1.71 1.64 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.15 7.81 *59 R 8.31 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.