NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1287 0.0000 0.0000 63.0595 31.6600 171.9880 3 K 3.6650 8.7238 131.8901 55.1957 30.9586 174.4728 4 M 4.2777 9.1783 127.5152 55.2722 33.5673 175.5649 5 K 4.5758 8.1706 120.4962 54.6331 34.2023 176.8745 6 T 4.1241 8.1919 113.0988 61.7575 69.6796 174.7332 7 H 4.4790 8.5389 123.3418 55.0165 29.7666 175.8890 8 K 3.9821 8.5377 129.1314 59.5656 31.7766 178.9706 9 G 3.8275 8.0196 104.0126 47.7806 0.0000 175.0057 10 A 4.2263 8.1023 122.0719 54.7539 18.7342 179.1516 11 K 3.8902 7.8460 116.7942 59.7660 32.2762 178.3593 12 K 4.3629 8.2544 115.7076 57.3111 31.9544 177.8906 13 R 4.6639 8.2677 113.1117 56.0741 32.1221 174.4410 14 V 4.7754 7.4034 117.0189 60.6410 35.1690 173.9897 15 K 4.7709 8.7724 121.1962 54.8177 35.9222 174.6089 16 I 4.7650 8.3090 120.4286 59.7198 38.6095 176.9679 17 T 4.3414 8.8777 121.7579 61.9014 68.8930 175.0566 18 A 4.4733 8.5851 118.4663 53.7493 20.5371 178.4969 19 S 4.2503 7.9919 108.9420 58.9986 63.7132 173.3757 20 G 3.5835 7.5930 106.6342 46.1771 0.0000 173.6458 21 K 4.4170 8.3839 118.0195 54.3060 35.8436 177.3879 22 V 4.4647 7.9335 123.6632 61.9225 33.3994 174.6372 23 V 5.1343 9.0520 126.8316 60.1245 34.7411 174.0975 24 A 5.1261 8.4894 127.6167 50.1474 23.4544 174.4576 25 M 4.5137 8.5573 118.8891 55.3111 33.1575 176.3190 26 K 4.5644 7.8982 120.1782 55.8368 33.3384 177.2662 27 T 4.3855 9.5354 113.7183 60.6251 70.3042 173.5333 28 G 3.5291 7.7584 117.4550 45.0659 0.0000 173.1120 29 K 4.7175 7.3169 119.1150 55.4530 35.2376 174.3855 30 R 4.2312 8.7655 126.2478 54.6208 31.1810 175.1599 31 H 5.5403 8.0833 127.9921 56.4193 27.5426 176.4483 32 L 4.2828 7.4414 121.1390 57.5395 41.8387 177.3247 33 N 4.6954 7.5147 114.9656 52.2316 39.0215 175.3559 34 W 4.9582 8.2178 129.1411 56.1818 27.1897 173.9855 35 Q 5.0015 6.2530 129.6333 55.4648 29.6547 172.3321 36 K 4.2502 7.4191 122.3620 53.6278 35.6227 176.5740 37 S 3.8762 8.7052 117.1689 58.6973 63.0631 175.6186 38 G 3.7946 8.9207 112.3899 47.3637 0.0000 174.9461 39 K 3.8667 7.8940 120.5815 60.4365 32.4276 177.5452 40 E 3.6899 8.6596 117.6334 59.3330 28.9694 179.1347 41 I 3.1960 7.6977 125.2350 64.9027 37.7876 177.6756 42 R 4.0527 7.5828 118.8015 58.8185 30.9279 177.7505 43 Q 4.4646 8.8797 119.3752 55.2601 27.9621 177.9916 44 K 4.6248 7.5895 118.4719 54.2054 32.8844 176.9619 45 G 4.3282 7.6046 113.8963 44.7231 0.0000 170.1200 46 R 4.7742 8.4404 121.0641 55.3709 31.7090 176.1742 47 K 4.7517 8.4739 119.6254 55.4730 34.7948 174.1764 48 F 5.3440 8.3255 112.0152 53.7677 41.7056 176.2852 49 V 3.7855 10.0330 112.9888 62.4881 30.9407 171.8501 50 L 4.1738 7.8937 123.3116 57.5485 42.6436 172.8464 51 A 5.2460 8.7193 133.1131 53.5689 15.6246 179.7499 52 K 4.0634 7.8816 116.4243 58.4545 32.0378 177.7353 53 P 4.2647 0.0000 0.0000 65.6440 31.5967 177.9618 54 E 3.9021 8.2186 117.8645 59.4061 29.3711 178.8624 55 A 4.0736 7.7492 120.3744 54.8224 18.3506 178.8361 56 E 3.9217 8.4884 116.3525 57.7779 30.0542 177.3165 57 R 4.5524 7.8246 116.4946 56.8888 32.0366 177.3274 58 I 3.8106 8.1526 117.9849 64.1386 37.5171 177.3560 59 K 4.1705 8.0246 119.0265 57.9737 32.6279 176.6321 60 L 4.6678 7.1922 120.8088 53.1189 39.4101 175.5253 61 L 4.1407 6.9696 120.8188 56.8370 41.7165 178.9149 62 L 3.7066 7.7623 124.5278 55.6624 42.5821 176.6500 63 P 4.5558 0.0000 0.0000 60.4592 29.8042 173.5415 64 Y 4.2843 7.4927 123.1653 59.1141 39.2024 177.7718 *65 E 4.1515 8.4985 115.2636 56.4286 30.5285 173.7551 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 2 P 0.00 4.13 0.00 2.05 2.10 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 3 K 8.72 3.67 0.00 1.97 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.50 7.81 4 M 9.18 4.28 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 5 K 8.17 4.58 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 6 T 8.19 4.12 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 1.18 0.00 0.00 7 H 8.54 4.48 0.00 3.25 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.54 3.98 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 9 G 8.02 3.83 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 0.00 0.00 0.00 10 A 8.10 4.23 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.85 3.89 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 12 K 8.25 4.36 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 13 R 8.27 4.66 0.00 1.83 1.97 0.00 3.05 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 14 V 7.40 4.78 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 0.77 0.00 0.00 0.99 0.00 0.00 15 K 8.77 4.77 0.00 1.85 1.64 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 16 I 8.31 4.76 1.87 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 1.43 0.64 0.91 0.00 0.00 17 T 8.88 4.34 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 1.27 0.00 0.00 18 A 8.59 4.47 1.30 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 0.00 0.00 0.00 19 S 7.99 4.25 0.00 3.83 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 20 G 7.59 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 21 K 8.38 4.42 0.00 1.36 0.84 0.00 1.62 0.00 0.00 1.01 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.18 7.81 22 V 7.93 4.46 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 0.95 0.00 0.00 0.89 0.00 0.00 23 V 9.05 5.13 2.16 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 1.46 0.00 0.00 1.13 0.00 0.00 24 A 8.49 5.13 1.24 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 0.00 0.00 0.00 25 M 8.56 4.51 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 26 K 7.90 4.56 0.00 1.83 1.73 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 27 T 9.54 4.39 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 28 G 7.76 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 29 K 7.32 4.72 0.00 1.83 1.74 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.47 7.81 30 R 8.77 4.23 0.00 1.98 2.25 0.00 3.48 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 31 H 8.08 5.54 0.00 3.45 3.65 0.00 5.46 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.44 4.28 0.00 1.69 1.83 0.92 1.01 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 33 N 7.51 4.70 0.00 2.80 2.75 0.00 0.00 6.90 7.55 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 34 W 8.22 4.96 0.00 3.44 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 6.25 5.00 0.00 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 36 K 7.42 4.25 0.00 1.58 1.58 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.26 7.81 37 S 8.71 3.88 0.00 3.94 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 38 G 8.92 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 0.00 0.00 0.00 39 K 7.89 3.87 0.00 1.73 1.82 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 40 E 8.66 3.69 0.00 2.12 1.82 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 2.32 2.34 0.00 41 I 7.70 3.20 1.84 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 1.49 0.41 0.89 0.00 0.00 42 R 7.58 4.05 0.00 1.98 2.11 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 43 Q 8.88 4.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 44 K 7.59 4.62 0.00 1.79 1.71 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 45 G 7.60 4.33 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 0.00 46 R 8.44 4.77 0.00 1.80 1.90 0.00 3.21 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 47 K 8.47 4.75 0.00 1.98 1.91 0.00 1.30 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.67 7.81 48 F 8.33 5.34 0.00 2.93 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 49 V 10.03 3.79 2.11 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 0.67 0.00 0.00 0.97 0.00 0.00 50 L 7.89 4.17 0.00 1.54 1.56 0.93 1.05 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 51 A 8.72 5.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.06 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 53 P 0.00 4.26 0.00 2.19 2.24 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 54 E 8.22 3.90 0.00 2.06 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 0.00 2.39 2.43 0.00 55 A 7.75 4.07 1.34 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 0.00 0.00 56 E 8.49 3.92 0.00 2.01 2.11 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 2.32 2.37 0.00 57 R 7.82 4.55 0.00 1.87 2.05 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 58 I 8.15 3.81 1.97 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 1.60 0.92 0.91 0.00 0.00 59 K 8.02 4.17 0.00 1.80 1.87 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.43 7.81 60 L 7.19 4.67 0.00 1.62 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 6.97 4.14 0.00 1.67 1.74 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.76 3.71 0.00 1.56 1.69 0.89 0.89 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 63 P 0.00 4.56 0.00 2.16 2.05 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 64 Y 7.49 4.28 0.00 2.99 2.85 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 0.00 0.00 0.00 *65 E 8.50 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.