NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3400 8.1733 120.1326 56.4799 34.4362 174.9731 3 L 4.4765 8.3784 122.2666 54.7997 42.5868 174.3302 4 A 4.4717 8.2033 121.9914 51.0411 23.9888 175.0976 5 V 4.4903 8.3255 118.9529 59.5230 34.6211 175.2739 6 V 4.1295 8.8292 125.3892 63.2573 31.6547 176.3608 7 T 4.6117 8.4241 117.9883 62.1154 70.7019 175.1013 8 G 4.0129 7.5229 109.8048 45.9638 0.0000 171.7855 9 Q 4.7720 8.5223 121.3168 55.1426 32.2085 174.7390 10 I 4.5345 9.0828 126.5230 59.5174 39.5842 175.0960 11 V 4.2221 8.4176 126.9697 61.7921 32.9584 175.4373 12 C 4.6063 8.4593 124.4827 58.5048 30.2542 174.0402 13 T 3.9100 8.6458 121.9712 66.0743 68.3319 175.5585 14 V 4.1090 7.5847 121.7733 61.5192 31.7597 174.7309 15 R 4.6128 8.0695 122.1772 54.7930 32.3282 174.0285 16 H 4.1715 8.6883 118.2444 56.5809 30.0005 175.8478 17 H 4.3741 9.0070 123.4082 58.4249 28.7326 177.2672 18 G 3.6915 8.0643 106.7885 47.0547 0.0000 174.4394 19 L 4.1469 8.1524 119.5931 54.7926 43.0505 177.7516 20 A 3.4903 7.2246 120.6363 54.0976 16.9416 178.0706 21 H 4.8573 8.5730 114.3224 57.1376 29.6007 174.0833 22 D 4.6532 7.4213 118.4884 54.5850 41.6361 176.3549 23 K 4.3259 8.5559 119.5302 56.0426 34.0752 176.4495 24 L 4.6506 8.5366 123.7913 52.8992 42.9663 174.8089 25 L 4.9045 8.4367 130.2563 55.5618 43.7325 176.6304 *27 V 4.2297 8.2542 109.8978 61.3072 33.6834 174.1102 28 E 5.4663 8.6842 123.3044 53.3505 33.6062 174.0267 *30 I 3.9976 8.1988 119.4514 60.7854 38.0984 175.6691 31 D 4.5567 8.7292 125.6866 52.2252 39.8665 175.3184 32 P 4.4626 0.0000 0.0000 64.2664 31.0985 176.4989 33 Q 4.2917 8.2932 119.0541 56.0455 29.4618 175.7969 34 G 4.2377 8.5784 105.2415 46.1229 0.0000 172.8754 35 N 5.0976 8.8575 117.6226 50.1855 41.0067 172.3353 36 P 4.4789 0.0000 0.0000 62.5979 32.5149 176.1107 37 D 4.6693 8.3198 123.9167 53.8330 42.8502 176.0537 38 G 3.9278 9.1745 109.2416 45.4461 0.0000 173.5785 39 Q 4.0714 7.8072 120.5285 55.9897 28.8574 174.7930 40 C 5.1750 8.0699 119.5766 58.2680 32.0265 172.5991 41 A 4.4227 8.0945 120.5402 51.7016 22.5755 175.6163 42 V 4.5538 8.3910 118.5813 61.1915 33.6107 174.6559 43 A 4.9624 8.9333 128.9700 50.0321 22.7490 174.7296 44 I 4.5669 8.4880 120.8743 60.5431 40.1465 174.3368 45 D 5.1412 8.8690 127.3851 52.9235 44.4079 175.0540 46 N 5.0965 8.9793 120.7575 52.4879 38.6765 175.1942 47 I 3.8360 7.8409 119.9031 62.4728 37.5351 174.6641 48 G 3.6375 8.6037 108.5403 45.3449 0.0000 171.1483 49 A 4.7287 9.0113 125.8902 50.4067 21.8489 176.6733 50 G 4.1903 8.8104 110.9941 43.2441 0.0000 173.1092 51 T 4.1651 8.1338 109.9482 63.0009 69.1544 174.4018 52 G 4.0997 9.2401 113.3848 45.4115 0.0000 173.7050 53 E 4.5784 7.9582 118.5289 56.0368 31.3240 175.6559 54 W 5.1576 8.7962 120.4331 55.4257 31.7382 175.8387 55 V 4.9684 8.9830 116.1376 59.6251 36.2190 173.9242 56 L 4.9796 8.6101 124.5594 53.9112 43.4974 175.3853 57 L 5.2667 8.8670 126.0150 52.9615 45.0233 176.0400 58 V 4.4996 8.5451 120.7370 61.2813 34.5957 174.8961 59 S 5.6215 8.2084 121.6177 56.8434 66.1885 174.5648 60 G 3.8475 8.4277 107.0659 45.3933 0.0000 174.1381 61 S 4.2077 8.4911 112.4881 61.4098 62.9756 176.4001 62 S 4.1266 8.0943 118.5053 61.2772 62.5792 176.0433 63 A 4.0225 7.8787 123.3392 55.1830 18.1844 179.3441 64 R 4.2889 7.6307 117.4405 59.2997 30.0120 179.0514 65 Q 4.0149 7.9794 117.7034 58.9658 29.2517 177.7603 66 A 4.1309 7.6189 120.7903 54.8492 18.3752 178.9511 67 H 4.3526 8.0506 116.4667 58.0474 30.1491 174.7888 68 K 4.3298 7.4094 121.2249 56.6568 40.2943 175.3102 69 S 4.7339 7.3127 111.5063 56.1213 65.6060 174.2989 70 E 4.1208 8.7932 123.1001 58.5345 29.2432 177.9739 71 T 4.3296 7.2710 106.7753 61.4220 69.9045 175.2826 72 S 4.1748 8.0109 119.8210 57.9734 63.8448 173.0727 73 P 4.7891 0.0000 0.0000 61.4110 29.8025 175.7258 74 V 4.5279 7.1393 112.8776 60.5661 36.2731 175.1363 75 D 5.0992 8.4859 119.8060 52.6719 41.6126 174.6237 76 L 4.8161 7.6117 121.9662 54.7449 45.1543 173.5787 77 C 5.3088 9.2134 127.3488 57.4607 35.2222 173.1761 78 V 4.4963 8.4002 126.4112 61.3699 31.8356 175.8985 79 I 4.4423 8.3668 116.8507 59.7295 38.5586 175.6168 80 G 4.1121 7.5259 111.2031 45.7931 0.0000 172.3497 81 I 4.5872 8.2722 122.8343 59.5984 38.5830 175.5711 82 V 4.0239 8.7610 126.2606 62.9044 31.4566 175.4607 83 D 4.7162 8.9233 128.0354 56.5801 42.2820 176.0348 84 E 5.6137 7.5552 111.8832 56.3892 32.0252 175.8544 85 V 4.4901 8.0280 120.0876 61.3695 34.8297 173.8948 86 V 4.9097 8.6309 127.5732 60.4096 33.7002 173.1924 87 S 4.6832 9.1888 119.6434 58.4974 61.7269 177.1682 88 G 3.8163 8.8756 103.8581 44.6114 0.0000 173.3708 89 G 3.9207 8.1185 101.9441 45.9977 0.0000 171.7089 90 Q 4.4419 7.6263 117.6406 53.3173 32.0447 174.7465 91 V 4.1168 8.4755 122.7954 63.2622 31.6249 175.3840 92 I 4.3130 9.1036 129.6986 62.5824 38.3328 176.0084 93 F 4.5844 7.6742 122.5252 57.2245 42.4981 172.2416 94 H 4.5571 7.2341 123.8191 53.8007 33.0422 172.5445 95 K 3.6501 7.7469 123.3252 56.4640 32.3239 176.6332 96 L 4.0787 8.3746 123.7472 55.0405 41.6696 176.8056 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 K 8.17 4.34 0.00 1.79 1.97 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 3 L 8.38 4.48 0.00 1.46 1.33 1.06 0.51 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 4 A 8.20 4.47 1.06 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 0.00 0.00 5 V 8.33 4.49 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 0.63 0.00 0.00 1.07 0.00 0.00 6 V 8.83 4.13 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 0.99 0.00 0.00 0.94 0.00 0.00 7 T 8.42 4.61 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 1.27 0.00 0.00 8 G 7.52 4.01 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 0.00 9 Q 8.52 4.77 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 10 I 9.08 4.53 1.87 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 1.11 0.66 0.91 0.00 0.00 11 V 8.42 4.22 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 0.80 0.00 0.00 0.94 0.00 0.00 12 C 8.46 4.61 0.00 2.94 2.82 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 0.00 0.00 0.00 13 T 8.65 3.91 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 14 V 7.58 4.11 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 0.84 0.00 0.00 0.94 0.00 0.00 15 R 8.07 4.61 0.00 1.93 1.86 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 16 H 8.69 4.17 0.00 3.18 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 9.01 4.37 0.00 3.29 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.06 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.15 0.00 1.82 1.70 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.22 3.49 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.57 4.86 0.00 3.16 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.42 4.65 0.00 2.78 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 23 K 8.56 4.33 0.00 1.73 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 24 L 8.54 4.65 0.00 1.79 1.59 0.92 0.47 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 25 L 8.44 4.90 0.00 1.87 1.60 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.25 4.23 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 0.80 0.00 0.00 0.94 0.00 0.00 28 E 8.68 5.47 0.00 1.88 1.68 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 2.08 2.02 0.00 *30 I 8.20 4.00 1.40 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.51 0.00 0.00 31 D 8.73 4.56 0.00 2.79 2.77 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 0.00 0.00 0.00 0.00 32 P 0.00 4.46 0.00 2.21 2.21 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 33 Q 8.29 4.29 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 34 G 8.58 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 0.00 0.00 0.00 0.00 35 N 8.86 5.10 0.00 2.90 2.72 0.00 0.00 6.76 8.06 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 36 P 0.00 4.48 0.00 2.09 1.90 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 37 D 8.32 4.67 0.00 2.60 2.57 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 38 G 9.17 3.93 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 0.00 0.00 0.00 39 Q 7.81 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 40 C 8.07 5.18 0.00 2.78 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 41 A 8.09 4.42 1.16 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 0.00 0.00 42 V 8.39 4.55 2.06 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 0.81 0.00 0.00 0.92 0.00 0.00 43 A 8.93 4.96 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 44 I 8.49 4.57 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.22 0.89 0.00 0.00 45 D 8.87 5.14 0.00 2.82 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 5.10 0.00 2.83 3.10 0.00 0.00 6.26 7.81 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 47 I 7.84 3.84 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.93 0.00 0.00 48 G 8.60 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.01 4.73 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 50 G 8.81 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 51 T 8.13 4.17 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 1.23 0.00 0.00 52 G 9.24 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.96 4.58 0.00 2.04 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 0.00 2.43 2.52 0.00 54 W 8.80 5.16 0.00 2.72 2.79 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 55 V 8.98 4.97 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 0.83 0.00 0.00 0.95 0.00 0.00 56 L 8.61 4.98 0.00 1.81 1.54 0.94 0.51 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 57 L 8.87 5.27 0.00 1.55 1.50 0.87 0.78 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 58 V 8.55 4.50 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 1.10 0.00 0.00 0.93 0.00 0.00 59 S 8.21 5.62 0.00 3.87 3.81 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 60 G 8.43 3.85 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 0.00 0.00 0.00 61 S 8.49 4.21 0.00 4.06 4.14 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 62 S 8.09 4.13 0.00 3.88 3.95 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 0.00 0.00 0.00 63 A 7.88 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.29 0.00 2.06 2.15 0.00 3.34 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 65 Q 7.98 4.01 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 66 A 7.62 4.13 1.42 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 0.00 0.00 67 H 8.05 4.35 0.00 3.13 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.41 4.33 0.00 1.52 1.67 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.22 1.14 7.81 69 S 7.31 4.73 0.00 3.77 3.62 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 70 E 8.79 4.12 0.00 2.00 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 2.32 2.24 0.00 71 T 7.27 4.33 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 72 S 8.01 4.17 0.00 4.15 4.14 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 73 P 0.00 4.79 0.00 2.16 2.05 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.44 0.00 74 V 7.14 4.53 2.01 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 0.63 0.00 0.00 0.88 0.00 0.00 75 D 8.49 5.10 0.00 2.72 2.79 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 76 L 7.61 4.82 0.00 1.68 1.49 0.91 0.72 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 77 C 9.21 5.31 0.00 2.96 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 78 V 8.40 4.50 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 0.88 0.00 0.00 1.00 0.00 0.00 79 I 8.37 4.44 1.88 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 1.26 0.74 0.92 0.00 0.00 80 G 7.53 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.27 4.59 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 1.02 0.00 0.00 82 V 8.76 4.02 2.45 0.00 0.00 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 1.12 0.00 0.00 83 D 8.92 4.72 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.56 5.61 0.00 1.93 1.62 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 2.04 2.04 0.00 85 V 8.03 4.49 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 1.13 0.00 0.00 1.22 0.00 0.00 86 V 8.63 4.91 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 0.92 0.00 0.00 0.94 0.00 0.00 87 S 9.19 4.68 0.00 3.86 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 88 G 8.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.63 4.44 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 91 V 8.48 4.12 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 0.74 0.00 0.00 0.91 0.00 0.00 92 I 9.10 4.31 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.09 0.00 0.00 93 F 7.67 4.58 0.00 2.01 2.28 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 94 H 7.23 4.56 0.00 2.87 2.76 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.75 3.65 0.00 1.45 1.66 0.00 1.78 0.00 0.00 1.92 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.58 7.81 96 L 8.37 4.08 0.00 1.64 1.57 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.