NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3248 8.1133 121.1245 56.2587 32.9191 176.2402 3 T 4.7773 9.2233 110.3559 61.3838 70.9878 172.9993 4 L 4.5616 9.5625 128.9659 53.0497 43.8350 175.6027 5 K 4.6795 8.6384 124.5141 55.7793 33.1520 176.9395 6 V 4.5489 8.7598 124.8146 61.2026 34.6184 174.2239 7 Q 4.9676 9.4896 127.0220 54.8636 30.7644 174.4874 8 A 5.1864 9.0482 125.5501 50.4113 21.0015 175.7534 9 L 4.9184 9.1098 123.5126 52.9476 44.2402 175.8706 10 W 4.0180 8.8206 134.4481 57.0081 31.5491 175.6418 11 D 4.1847 7.7303 128.1147 51.4310 40.0550 176.1695 12 G 3.2660 7.3995 111.9678 48.0147 0.0000 172.4067 13 E 3.8620 7.9549 117.9059 59.3053 29.4365 178.0284 14 A 4.0207 7.8915 118.1330 51.8440 18.8909 177.1358 15 G 3.8259 7.1692 103.8795 45.6697 0.0000 173.8332 16 V 4.7944 6.1896 108.9516 59.7701 36.9184 174.2475 17 W 5.2061 9.4876 123.2516 55.6919 31.1704 175.5438 18 V 4.9185 9.0969 123.9430 60.9763 33.6154 174.4772 19 A 4.8623 9.2768 130.5019 51.8789 19.5622 176.4076 20 E 4.6893 9.2565 122.0233 54.7669 33.4690 174.0817 21 S 4.8578 8.5310 120.5059 57.2096 65.1250 173.1581 22 D 4.5879 9.0126 125.3510 55.3363 41.5667 176.3210 23 D 4.6013 7.7943 116.6617 54.7921 41.6985 176.3387 24 V 4.3107 7.4785 118.4661 59.9647 33.0528 173.3357 25 P 4.3528 0.0000 0.0000 63.6312 31.8028 176.0883 26 G 3.9907 8.5533 108.3564 46.2324 0.0000 173.0535 27 L 4.1375 7.9682 120.5592 53.7247 42.4690 175.9460 28 A 4.4596 8.2043 129.0418 51.4817 20.3793 174.2376 29 T 4.7001 7.9907 114.1394 62.2891 70.8935 171.7267 30 E 5.2137 8.5064 123.3492 55.7869 33.2963 173.4937 31 A 4.6048 8.8294 118.3147 51.0332 22.4204 177.6492 32 A 4.2853 9.1704 123.6869 54.7903 18.9371 178.4300 33 T 5.0264 7.6536 104.4609 59.4020 73.3906 174.9113 34 L 3.7246 8.1479 120.9967 57.4858 41.4679 179.5910 35 E 3.8933 7.9982 118.2415 59.5889 29.4926 179.0278 36 E 3.9551 8.1082 118.4486 59.3054 29.4359 179.1908 37 L 4.0124 7.9981 120.4123 58.0226 42.1086 179.1024 38 L 3.9003 7.9859 118.6749 57.6900 41.3867 178.9637 39 A 3.9830 7.8561 119.3277 55.4316 18.4797 179.3485 40 K 4.0182 8.4168 116.8811 59.7569 31.9414 179.5198 41 L 3.9803 7.9560 117.8060 57.7968 41.6104 178.9790 42 A 4.1422 7.9366 119.7242 54.9005 18.0097 178.2941 43 V 3.8417 7.4126 115.1512 63.5905 31.9443 177.4592 *45 V 3.8945 7.7429 119.2155 62.7716 33.3087 175.5913 46 P 4.2090 0.0000 0.0000 65.6260 31.1208 178.0062 47 E 3.9602 7.5925 117.0418 59.9017 29.0536 179.8175 48 L 4.1334 7.9035 117.8961 57.7764 41.4594 179.4712 49 L 4.0652 7.6915 118.3828 57.4016 41.5727 179.1748 50 E 4.0957 8.0660 117.9486 59.5943 29.7199 178.6401 51 E 4.0713 8.0791 117.2545 58.0247 29.6944 176.7184 52 N 4.9184 7.2450 114.0185 50.6089 41.3736 175.2493 53 G 3.7466 8.3480 108.0751 45.3058 0.0000 173.9005 54 V 3.0256 8.2788 122.9207 63.5541 31.5708 176.0405 55 A 3.6168 8.6677 119.5513 53.4207 15.8652 177.9691 56 L 4.8413 7.4532 120.0423 52.5297 45.4033 176.6747 57 E 4.4973 8.5606 120.8906 55.1346 30.8442 175.9021 58 L 4.8174 8.1196 122.6430 52.1103 44.2824 174.3540 59 P 4.4842 0.0000 0.0000 62.5391 32.2525 175.7285 60 V 4.5481 8.1308 120.8494 61.9140 32.7242 174.7068 61 E 4.7860 9.1974 125.4117 54.3918 32.8821 174.2983 62 L 4.7502 8.4695 123.9013 53.9032 43.5913 175.5841 63 R 4.4017 8.8970 128.1287 54.5444 31.3100 174.1881 64 L 4.6906 8.3495 129.1256 54.4900 43.0430 175.4037 65 E 4.8198 9.4732 126.1791 54.4500 32.4618 174.9221 66 A 5.0191 8.4748 124.7241 50.5763 21.5839 175.3199 67 T 4.5939 8.8038 119.2815 61.8974 70.6731 174.2590 68 R 4.6651 8.2022 124.1574 53.6800 33.1157 172.9388 69 P 4.4783 0.0000 0.0000 62.4284 32.2964 175.3494 70 L 4.3631 8.2471 121.2412 53.0029 43.2370 175.8648 71 V 4.1239 7.7611 122.4829 60.9615 33.2334 175.4431 72 F 4.5458 8.5179 124.3353 57.7272 39.3763 175.0040 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 R 8.11 4.32 0.00 1.91 1.59 0.00 3.11 0.00 0.00 3.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 3 T 9.22 4.78 4.24 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 1.25 0.00 0.00 4 L 9.56 4.56 0.00 1.58 1.60 0.92 1.29 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 5 K 8.64 4.68 0.00 1.68 1.95 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.38 7.81 6 V 8.76 4.55 2.08 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 0.93 0.00 0.00 0.94 0.00 0.00 7 Q 9.49 4.97 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 A 9.05 5.19 1.25 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 0.00 0.00 0.00 9 L 9.11 4.92 0.00 1.66 1.65 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 W 8.82 4.02 0.00 1.78 2.54 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 0.00 0.00 0.00 11 D 7.73 4.18 0.00 2.42 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 0.00 0.00 0.00 0.00 12 G 7.40 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 0.00 0.00 0.00 13 E 7.95 3.86 0.00 1.95 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 2.23 2.18 0.00 14 A 7.89 4.02 1.12 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 0.00 0.00 15 G 7.17 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 16 V 6.19 4.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.85 0.00 0.00 17 W 9.49 5.21 0.00 3.53 3.25 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 0.00 18 V 9.10 4.92 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 1.08 0.00 0.00 0.92 0.00 0.00 19 A 9.28 4.86 1.27 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 0.00 0.00 20 E 9.26 4.69 0.00 2.08 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 2.22 2.32 0.00 21 S 8.53 4.86 0.00 3.88 3.67 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 22 D 9.01 4.59 0.00 2.66 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 23 D 7.79 4.60 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 4.31 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 0.85 0.00 0.00 0.94 0.00 0.00 25 P 0.00 4.35 0.00 2.08 1.97 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 26 G 8.55 3.99 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 0.00 0.00 0.00 27 L 7.97 4.14 0.00 1.61 1.61 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.20 4.46 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 4.70 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 1.24 0.00 0.00 30 E 8.51 5.21 0.00 2.25 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 2.21 2.28 0.00 31 A 8.83 4.60 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 32 A 9.17 4.29 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 33 T 7.65 5.03 4.28 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 1.36 0.00 0.00 34 L 8.15 3.72 0.00 1.38 1.37 0.10 -0.48 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 E 8.00 3.89 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 36 E 8.11 3.96 0.00 2.22 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 2.35 2.35 0.00 37 L 8.00 4.01 0.00 1.95 1.73 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.99 3.90 0.00 2.00 1.67 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.86 3.98 1.35 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 0.00 0.00 0.00 40 K 8.42 4.02 0.00 1.93 1.90 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.75 7.81 41 L 7.96 3.98 0.00 1.85 1.73 1.02 0.75 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 42 A 7.94 4.14 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 43 V 7.41 3.84 2.21 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 0.92 0.00 0.00 0.93 0.00 0.00 *45 V 7.74 3.89 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 0.95 0.00 0.00 0.98 0.00 0.00 46 P 0.00 4.21 0.00 2.20 2.08 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 47 E 7.59 3.96 0.00 1.84 2.03 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 2.34 2.60 0.00 48 L 7.90 4.13 0.00 1.82 1.85 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.69 4.07 0.00 1.83 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.07 4.10 0.00 2.07 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 2.61 0.00 51 E 8.08 4.07 0.00 1.93 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 2.36 2.64 0.00 52 N 7.25 4.92 0.00 2.80 2.73 0.00 0.00 6.96 7.32 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 53 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.03 2.08 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 0.84 0.00 0.00 1.08 0.00 0.00 55 A 8.67 3.62 1.35 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 0.00 0.00 0.00 56 L 7.45 4.84 0.00 1.60 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.56 4.50 0.00 1.95 1.87 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 2.25 2.31 0.00 58 L 8.12 4.82 0.00 1.59 1.57 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.48 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 60 V 8.13 4.55 2.08 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 0.89 0.00 0.00 0.99 0.00 0.00 61 E 9.20 4.79 0.00 2.00 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 0.00 2.16 2.20 0.00 62 L 8.47 4.75 0.00 1.65 1.60 0.97 0.86 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 63 R 8.90 4.40 0.00 1.89 1.79 0.00 3.13 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 64 L 8.35 4.69 0.00 1.65 1.48 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.47 4.82 0.00 1.89 1.81 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 2.21 2.38 0.00 66 A 8.47 5.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 4.59 4.32 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 1.25 0.00 0.00 68 R 8.20 4.67 0.00 1.75 1.76 0.00 3.25 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 1.59 0.00 69 P 0.00 4.48 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 70 L 8.25 4.36 0.00 1.51 1.03 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.76 4.12 1.94 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 0.78 0.00 0.00 0.85 0.00 0.00 72 F 8.52 4.55 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.