NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1939 8.2649 123.5832 53.4118 20.3979 175.1382 3 C 3.6751 8.4849 109.5145 58.3068 24.6754 171.3331 4 P 4.2464 0.0000 0.0000 65.7966 32.1333 178.2085 5 L 3.9514 7.8397 119.5877 58.0303 42.2339 178.6389 6 E 4.0205 8.1095 118.1432 59.2763 29.4577 179.2789 7 K 4.0236 8.3598 118.5407 59.3688 32.0732 179.2729 8 A 4.0525 8.1797 121.1883 55.0009 18.2324 179.7563 9 L 3.9857 7.9740 117.6679 57.8167 41.6306 179.0421 10 D 4.3209 8.0184 117.7013 57.4563 41.2256 178.4056 11 V 3.6455 7.9472 118.6660 66.2349 31.6189 177.3661 12 M 4.1716 8.1141 117.8777 59.0006 32.1901 178.3472 13 V 4.2493 8.0104 117.9697 65.9746 31.7485 178.1925 14 S 4.3737 8.6443 115.4220 61.9271 62.3491 176.8146 15 T 4.0472 8.3222 118.6119 66.2906 68.1378 176.4284 16 F 3.8201 8.0445 121.4991 61.8053 39.0967 177.0534 17 H 4.5451 8.4470 115.9306 57.9919 28.3497 177.6279 18 K 3.9772 8.3277 119.3688 58.9731 32.3408 177.5644 19 Y 4.4836 7.2950 117.9387 58.9586 39.6323 177.8174 20 S 3.9587 7.9451 115.3601 60.7570 63.0364 176.1850 21 G 3.6982 7.4497 107.0834 45.9313 0.0000 175.4778 22 K 4.0827 7.3114 120.3994 58.1017 32.4533 176.5619 23 E 4.7394 8.4500 117.4661 54.9119 34.1609 178.5338 24 G 3.5687 8.4025 109.1021 46.4184 0.0000 175.1942 25 D 4.2809 8.5168 124.5302 53.8342 41.3162 176.9452 26 K 3.8860 8.3755 127.7975 58.4673 32.3434 177.0439 27 F 5.3029 8.7514 116.1686 57.0959 39.2474 175.2509 28 K 5.0063 7.7040 119.0184 54.8999 36.2267 175.6380 29 L 4.5059 9.1616 123.3467 53.4607 42.6555 176.9504 30 N 5.2065 9.2179 124.3943 50.9690 40.2383 175.9431 31 K 3.9628 8.5136 118.6583 59.8882 31.9979 179.1945 32 S 4.0827 8.1029 112.7360 61.4407 62.6049 175.5732 33 E 4.0141 9.3361 121.6070 59.6855 29.3134 179.4386 34 L 3.9758 8.3373 120.4119 57.8289 42.1795 178.9972 35 K 4.1136 7.9198 119.8229 59.3555 32.1258 178.4341 36 E 3.9166 8.1891 118.9721 59.4899 29.3775 179.3414 37 L 2.9319 7.2528 119.3798 57.7442 42.1415 178.9115 38 L 4.0926 7.8075 118.9351 58.0750 41.3544 179.6587 39 T 3.8644 7.5730 114.2401 66.8276 68.5547 176.5856 40 R 4.2626 7.9419 117.8484 57.7504 30.3969 177.7505 41 E 4.7442 8.3811 115.9908 55.6686 32.7571 175.8747 42 L 4.9959 7.8650 118.6079 53.2441 42.4938 176.5162 43 P 4.3893 0.0000 0.0000 65.9103 31.9874 179.0582 44 S 4.2214 8.1740 114.2784 61.3549 63.0504 175.2419 45 F 4.4081 8.2401 121.7311 60.3328 39.1296 175.4872 46 L 4.3633 7.9331 116.4267 55.1164 41.6489 175.6104 47 G 3.6285 9.1835 104.6234 47.6497 0.0000 175.3384 *54 A 4.2836 8.1944 122.7123 51.5856 18.9431 176.6358 55 F 4.8467 9.2778 115.1941 55.4912 39.2229 178.6953 56 Q 3.7176 8.3473 124.6557 59.8360 29.0784 179.3683 57 K 4.1644 8.0367 122.3013 59.6176 31.7709 180.7481 58 L 4.0459 7.2596 121.2903 57.9316 41.7111 178.4222 59 M 3.7071 6.7168 117.8003 59.0835 32.4568 178.2433 60 S 4.2108 7.8343 114.3366 61.5095 62.8964 175.9716 61 N 4.3529 7.9907 118.5469 56.0051 38.6655 176.0421 62 L 4.4228 7.4302 118.7524 55.2587 43.4167 177.1992 63 D 4.7816 7.5158 119.5449 52.8289 39.0455 176.4903 64 S 4.2352 8.4526 117.4684 59.5127 63.7074 175.7715 65 N 4.7428 8.3662 119.4379 52.1992 37.8045 175.4688 66 R 3.8551 7.3605 115.5647 58.3029 26.9071 179.7353 67 D 4.8660 7.9698 113.3581 53.1381 40.1645 177.3047 68 N 4.3848 8.8016 114.8172 53.9948 37.0267 173.7301 69 E 4.8996 8.1771 117.5431 54.4498 33.9023 174.9525 70 V 4.6385 9.0292 124.4482 61.8178 33.0156 175.3212 71 D 5.2024 9.7676 128.7151 52.1775 41.5397 177.3018 72 F 3.0717 8.8869 120.2035 61.3140 38.8935 176.9387 73 Q 3.9211 8.1506 116.5896 59.2013 28.5525 178.1626 74 E 3.9885 8.4824 120.6915 59.1686 29.4856 178.5397 75 Y 4.1988 8.1898 119.9948 60.7953 38.8652 177.6120 76 C 3.6372 7.9505 118.0776 62.6460 28.3029 176.1472 77 V 3.5130 7.3447 119.7025 66.0353 30.8280 177.8555 78 F 4.3081 7.9780 119.7446 61.3969 39.1504 177.1500 79 L 3.4251 7.5292 118.3554 57.2906 41.2771 179.6076 80 S 4.0240 7.7705 115.5418 61.2738 62.7300 176.1625 81 C 4.0459 7.7821 119.1524 62.9770 27.9609 176.0441 82 I 3.5764 7.0804 120.6819 64.4655 36.7046 178.1186 83 A 3.9539 8.0022 121.5848 55.6671 18.0494 179.4308 84 M 4.0514 8.0929 116.4153 58.8208 32.0434 178.4281 85 M 4.1939 7.9793 118.4236 58.5211 32.5178 178.0897 86 C 4.3652 8.2875 116.9642 62.9330 28.2760 175.7363 87 N 4.6049 8.4739 118.5324 56.6318 38.4837 176.7633 88 E 3.8466 7.9974 120.0530 59.0404 29.4819 179.0285 89 F 3.0023 7.6955 120.2425 60.9636 39.2026 177.2264 90 F 3.7511 7.9401 115.6102 60.3537 38.9010 176.7486 91 E 4.1666 8.1061 115.5223 56.5581 29.2456 177.7694 92 G 3.5318 7.3190 107.1019 45.2745 0.0000 173.7417 93 F 3.8822 7.1986 118.6537 57.5723 36.0533 172.9967 94 P 4.5693 0.0000 0.0000 64.5091 32.5908 176.8910 95 D 4.3886 7.7984 121.9946 54.1102 41.8809 175.0305 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 A 8.26 4.19 1.29 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 0.00 0.00 0.00 0.00 0.00 3 C 8.48 3.68 0.00 3.25 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 4 P 0.00 4.25 0.00 2.26 2.32 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 5 L 7.84 3.95 0.00 1.77 1.70 0.91 0.99 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 6 E 8.11 4.02 0.00 2.18 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 2.40 2.40 0.00 7 K 8.36 4.02 0.00 2.06 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.47 7.81 8 A 8.18 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.99 0.00 1.91 1.77 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.02 4.32 0.00 2.81 2.87 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 11 V 7.95 3.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 12 M 8.11 4.17 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 13 V 8.01 4.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.23 0.00 0.00 14 S 8.64 4.37 0.00 3.99 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 15 T 8.32 4.05 4.53 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 1.55 0.00 0.00 16 F 8.04 3.82 0.00 2.56 3.28 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 17 H 8.45 4.55 0.00 3.55 3.41 0.00 5.88 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 18 K 8.33 3.98 0.00 1.68 1.86 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 0.47 7.81 19 Y 7.29 4.48 0.00 2.93 2.88 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 0.00 0.00 0.00 20 S 7.95 3.96 0.00 3.90 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 21 G 7.45 3.70 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 0.00 0.00 0.00 22 K 7.31 4.08 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.25 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 E 8.45 4.74 0.00 1.83 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 2.20 2.37 0.00 24 G 8.40 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.28 0.00 2.70 2.58 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 26 K 8.38 3.89 0.00 1.40 0.90 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.90 1.21 7.81 27 F 8.75 5.30 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 28 K 7.70 5.01 0.00 1.92 1.71 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.58 1.61 7.81 29 L 9.16 4.51 0.00 1.74 1.54 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.22 5.21 0.00 2.95 3.10 0.00 0.00 6.84 7.24 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 31 K 8.51 3.96 0.00 1.87 2.02 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.52 7.81 32 S 8.10 4.08 0.00 3.90 4.02 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 0.00 0.00 0.00 0.00 33 E 9.34 4.01 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 34 L 8.34 3.98 0.00 1.78 1.78 0.89 0.13 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 35 K 7.92 4.11 0.00 2.12 1.90 0.00 1.54 0.00 0.00 1.29 0.00 0.00 2.77 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.17 0.67 7.81 36 E 8.19 3.92 0.00 2.26 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 0.00 2.37 2.59 0.00 37 L 7.25 2.93 0.00 1.09 1.61 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.81 4.09 0.00 1.90 1.91 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.57 3.86 4.38 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 1.20 0.00 0.00 40 R 7.94 4.26 0.00 1.91 2.09 0.00 3.36 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 41 E 8.38 4.74 0.00 2.04 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 2.27 2.50 0.00 42 L 7.86 5.00 0.00 1.90 1.72 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.39 0.00 2.25 2.49 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 44 S 8.17 4.22 0.00 3.95 4.02 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 0.00 0.00 0.00 0.00 45 F 8.24 4.41 0.00 2.99 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.36 0.00 1.74 1.68 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.18 3.63 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 *54 A 8.19 4.28 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 55 F 9.28 4.85 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 3.72 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.94 0.00 0.00 0.00 0.00 0.00 2.68 2.39 0.00 57 K 8.04 4.16 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 58 L 7.26 4.05 0.00 1.50 1.54 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 M 6.72 3.71 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 60 S 7.83 4.21 0.00 3.99 3.86 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 61 N 7.99 4.35 0.00 2.68 2.94 0.00 0.00 7.23 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.43 4.42 0.00 1.71 1.59 0.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.52 4.78 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 64 S 8.45 4.24 0.00 4.14 3.98 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 65 N 8.37 4.74 0.00 2.83 2.92 0.00 0.00 6.13 7.66 0.00 0.00 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 R 7.36 3.86 0.00 1.89 1.83 0.00 3.22 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 67 D 7.97 4.87 0.00 2.76 2.76 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 0.00 0.00 0.00 68 N 8.80 4.38 0.00 2.89 3.02 0.00 0.00 6.65 8.42 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 69 E 8.18 4.90 0.00 2.08 1.84 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 2.35 2.39 0.00 70 V 9.03 4.64 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 1.15 0.00 0.00 0.93 0.00 0.00 71 D 9.77 5.20 0.00 2.93 2.93 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 0.00 0.00 0.00 72 F 8.89 3.07 0.00 2.40 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 73 Q 8.15 3.92 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.85 2.42 0.00 74 E 8.48 3.99 0.00 2.26 2.26 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 2.34 2.48 0.00 75 Y 8.19 4.20 0.00 3.17 2.87 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 76 C 7.95 3.64 0.00 2.84 2.76 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 0.00 0.00 0.00 77 V 7.34 3.51 2.22 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 1.00 0.00 0.00 0.94 0.00 0.00 78 F 7.98 4.31 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 79 L 7.53 3.43 0.00 1.46 1.37 0.55 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.77 4.02 0.00 4.01 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 81 C 7.78 4.05 0.00 3.11 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 82 I 7.08 3.58 1.66 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.20 0.74 0.00 0.00 83 A 8.00 3.95 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 84 M 8.09 4.05 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 85 M 7.98 4.19 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.97 0.00 86 C 8.29 4.37 0.00 3.24 3.13 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 0.00 0.00 0.00 0.00 87 N 8.47 4.60 0.00 2.88 3.01 0.00 0.00 7.23 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 88 E 8.00 3.85 0.00 2.25 1.95 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 2.69 2.59 0.00 89 F 7.70 3.00 0.00 2.98 3.01 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 90 F 7.94 3.75 0.00 3.18 3.03 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 91 E 8.11 4.17 0.00 1.95 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 2.32 2.50 0.00 92 G 7.32 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 93 F 7.20 3.88 0.00 3.27 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 94 P 0.00 4.57 0.00 2.19 2.17 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 95 D 7.80 4.39 0.00 2.65 2.56 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.