NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5022 8.3649 119.5461 53.1106 41.2021 174.4319 4 H 3.8513 7.9707 113.8672 56.4918 29.8330 168.8061 5 V 4.4599 8.5993 121.7071 61.3781 35.6977 173.3888 6 Y 5.2314 8.7774 123.9585 56.0994 41.1551 174.6939 7 K 4.4092 8.1793 123.5650 54.6392 34.9446 174.9062 8 I 4.8128 8.1284 126.4681 59.7251 39.3332 175.2522 9 V 4.4837 8.5856 120.5891 59.5738 34.7125 174.4730 10 E 5.1088 8.6825 124.0892 54.7330 30.9794 174.9920 11 L 4.9355 8.9970 126.3414 53.1020 46.4115 175.4413 12 T 4.9299 8.5345 116.0213 60.3875 69.5017 173.5125 13 G 4.0797 8.8242 116.6166 45.4604 0.0000 172.0664 14 S 5.5264 8.1947 115.7773 56.6292 65.6927 173.1224 15 S 4.7956 8.5602 116.8838 57.0036 65.8458 173.9797 16 P 4.8824 0.0000 0.0000 63.7042 31.5936 176.4426 17 N 4.6532 9.9760 116.7575 53.2012 39.9655 175.6165 18 G 2.7783 7.4245 103.6366 44.1171 0.0000 172.8550 19 I 3.5917 7.3556 120.0055 64.6116 37.1519 178.2117 20 E 3.9537 7.9599 118.8226 59.4405 29.1697 179.3076 21 E 3.8919 7.9799 117.9124 59.1870 29.6712 178.8275 22 A 4.1551 7.9795 120.7999 55.5121 18.3791 180.2007 23 V 3.5037 7.8093 110.7541 64.3125 31.5900 178.4145 24 N 4.1626 8.1487 116.3560 56.4881 38.3275 176.8938 25 N 4.2472 8.3705 117.6552 56.4764 38.7267 177.2801 26 A 3.9318 7.7593 121.4286 55.2206 18.4608 179.7987 27 I 3.6382 7.8619 118.3101 64.0490 37.2912 178.1983 28 A 3.9289 8.3954 122.0599 55.5684 17.3555 179.9819 29 R 3.8687 8.2891 115.9958 59.1629 30.0222 179.2943 30 A 4.2873 7.9922 120.8909 54.9050 18.1609 179.9228 31 G 3.5012 7.8546 103.4256 47.6365 0.0000 175.4973 32 E 4.0567 7.8509 119.9184 59.2466 29.5650 178.4022 33 T 4.2523 7.1590 111.2194 61.7364 68.4211 174.2039 34 L 4.4749 7.7798 119.7742 52.6033 44.0687 175.4733 35 R 4.4481 7.2310 114.7150 55.8887 32.7486 174.3031 36 H 4.0812 8.6145 113.9232 56.9198 25.5805 175.4918 37 L 4.5038 7.9759 118.7167 55.4689 42.2763 176.7339 38 R 4.8305 9.1980 122.7675 57.1579 31.9055 176.2505 39 W 5.5661 7.7821 113.6924 55.1563 32.2220 172.7013 40 F 5.3311 8.4076 114.0678 55.6542 41.1003 173.3347 41 E 4.6405 9.2722 119.4121 54.5626 33.2162 174.1304 42 V 4.3073 8.6750 127.3769 62.9489 31.6433 175.8287 43 V 4.1513 8.6161 127.9950 63.2799 32.9059 175.9913 44 D 4.4970 7.4337 116.6894 53.7368 44.4274 174.7122 45 T 5.0945 8.8384 121.6899 62.1335 71.5863 173.1641 46 R 4.7497 9.1847 125.1510 55.1228 34.9759 173.9592 47 G 4.0318 8.1226 104.5195 46.4911 0.0000 172.2842 48 H 4.9336 8.4403 120.4863 54.4479 32.0368 173.5312 49 I 4.8107 7.8527 125.5349 59.4441 39.2499 174.6145 50 E 4.5548 9.2185 128.0808 55.0793 33.0373 174.9220 51 G 3.7816 8.5731 114.3585 47.3393 0.0000 174.5972 52 G 4.1822 8.7034 109.8258 44.7025 0.0000 172.3347 53 R 4.5776 7.7373 114.5891 53.3616 32.6271 174.4872 54 V 3.8631 8.2783 119.7656 63.1485 31.3122 175.2309 55 N 4.8088 8.7375 124.7586 53.4538 39.7029 174.3540 56 H 5.2803 7.6953 116.6561 53.8866 33.3106 172.2505 57 W 4.7694 9.7376 124.3311 56.0136 30.7943 175.4468 58 Q 4.6680 9.5767 124.5650 54.3530 30.9009 174.5940 59 V 4.7296 8.5797 125.5611 61.3572 33.5565 174.3874 60 T 5.1050 8.8036 123.8261 61.1292 69.1119 173.7820 61 V 5.0007 9.0199 126.7332 60.1855 35.6428 173.7161 62 K 4.9717 9.4928 122.2379 54.7872 34.6406 175.2301 63 V 4.5404 8.9533 125.5463 60.9633 34.1246 174.2641 64 G 3.2125 8.1282 115.8673 44.1539 0.0000 172.4559 65 F 5.6801 8.2698 118.3693 55.2526 41.8907 173.8819 66 T 4.3543 8.8997 118.4327 63.7270 68.9445 174.0122 67 L 4.2422 8.3607 127.1058 54.6896 42.2989 174.3890 68 E 4.1903 9.2416 120.1936 56.8317 32.2568 176.1464 *69 G 3.7113 8.3420 111.7769 45.0416 0.0000 172.4182 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 3 D 8.36 4.50 0.00 2.71 2.52 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 4 H 7.97 3.85 0.00 2.95 3.01 0.00 5.80 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 5 V 8.60 4.46 1.99 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 0.99 0.00 0.00 0.89 0.00 0.00 6 Y 8.78 5.23 0.00 2.98 2.94 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 7 K 8.18 4.41 0.00 1.37 0.74 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.26 7.81 8 I 8.13 4.81 1.84 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.91 0.00 0.00 9 V 8.59 4.48 2.15 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 0.85 0.00 0.00 1.08 0.00 0.00 10 E 8.68 5.11 0.00 1.97 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 2.22 2.33 0.00 11 L 9.00 4.94 0.00 1.56 1.47 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.53 4.93 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 1.22 0.00 0.00 13 G 8.82 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 14 S 8.19 5.53 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.80 0.00 3.97 3.73 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 16 P 0.00 4.88 0.00 2.27 2.18 0.00 3.47 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 9.98 4.65 0.00 2.68 2.87 0.00 0.00 6.89 7.28 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 18 G 7.42 2.78 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 19 I 7.36 3.59 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.33 0.90 0.00 0.00 20 E 7.96 3.95 0.00 1.98 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 2.38 2.44 0.00 21 E 7.98 3.89 0.00 2.14 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 2.36 2.39 0.00 22 A 7.98 4.16 1.52 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 0.00 0.00 23 V 7.81 3.50 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.35 0.00 0.00 24 N 8.15 4.16 0.00 2.94 2.82 0.00 0.00 7.00 6.48 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 25 N 8.37 4.25 0.00 2.89 2.86 0.00 0.00 6.96 8.24 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 26 A 7.76 3.93 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 27 I 7.86 3.64 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.84 0.00 0.00 28 A 8.40 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 3.87 0.00 1.92 1.96 0.00 3.26 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 A 7.99 4.29 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.85 4.06 0.00 2.10 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 2.31 2.42 0.00 33 T 7.16 4.25 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 1.20 0.00 0.00 34 L 7.78 4.47 0.00 1.26 0.82 0.68 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.23 4.45 0.00 1.60 1.72 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.00 36 H 8.61 4.08 0.00 3.61 3.55 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.98 4.50 0.00 1.67 1.67 0.86 0.79 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 38 R 9.20 4.83 0.00 2.12 2.32 0.00 3.50 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 39 W 7.78 5.57 0.00 3.27 3.19 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 40 F 8.41 5.33 0.00 3.06 2.96 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 41 E 9.27 4.64 0.00 2.14 1.86 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 2.26 2.28 0.00 42 V 8.67 4.31 2.18 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 0.96 0.00 0.00 1.15 0.00 0.00 43 V 8.62 4.15 2.12 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 0.79 0.00 0.00 0.96 0.00 0.00 44 D 7.43 4.50 0.00 2.80 2.52 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 45 T 8.84 5.09 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 1.45 0.00 0.00 46 R 9.18 4.75 0.00 1.67 1.80 0.00 3.31 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 47 G 8.12 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 48 H 8.44 4.93 0.00 3.22 3.31 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.85 4.81 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.88 0.00 0.00 50 E 9.22 4.55 0.00 2.12 1.72 0.00 0.00 0.00 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 2.25 0.00 51 G 8.57 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 52 G 8.70 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 0.00 0.00 0.00 0.00 53 R 7.74 4.58 0.00 1.95 1.96 0.00 2.78 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 54 V 8.28 3.86 1.83 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 -0.18 0.00 0.00 0.54 0.00 0.00 55 N 8.74 4.81 0.00 2.68 2.97 0.00 0.00 6.28 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 56 H 7.70 5.28 0.00 3.10 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.74 4.77 0.00 3.40 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 58 Q 9.58 4.67 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.58 4.73 2.12 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 1.03 0.00 0.00 1.03 0.00 0.00 60 T 8.80 5.11 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 1.33 0.00 0.00 61 V 9.02 5.00 2.09 0.00 0.00 0.00 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 1.09 0.00 0.00 62 K 9.49 4.97 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.95 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 64 G 8.13 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 5.68 0.00 3.28 3.06 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 0.00 0.00 0.00 66 T 8.90 4.35 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 67 L 8.36 4.24 0.00 1.60 1.59 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.24 4.19 0.00 2.02 1.79 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 2.13 2.35 0.00 *69 G 8.34 3.71 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 * Residues marked with a * may have inaccurate shift predictions.