NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2927 8.2993 121.7909 55.6696 34.5066 175.3339 3 P 4.3426 0.0000 0.0000 60.7095 32.5479 173.6817 4 Y 5.0464 8.3430 118.9079 55.7852 42.4166 175.5475 5 R 4.5689 8.9240 119.5584 55.2040 33.1271 175.7403 6 L 4.7236 8.1522 122.6639 53.8461 44.4012 175.5826 7 S 4.3602 9.0017 122.3190 58.3207 64.0286 175.7926 8 R 3.9421 8.8349 121.0980 59.4364 29.8749 179.2356 9 R 3.8618 8.0562 117.7048 59.4424 30.1587 177.9371 10 A 4.2360 8.0824 120.4707 55.4326 18.3644 179.5377 11 K 3.9367 8.5198 118.0658 59.6141 32.2734 178.7888 12 A 4.0760 8.7163 121.4210 55.2093 18.2022 179.3519 13 D 4.3930 8.7164 117.8093 57.6446 40.9493 178.9907 14 L 4.2014 8.0318 119.4274 57.8326 41.5596 179.2646 15 D 4.4638 8.1751 118.8802 57.6753 40.7954 178.6735 16 D 4.4859 8.3516 119.3015 57.2439 40.8388 178.8802 17 I 3.8427 8.3401 120.9507 64.1269 37.0319 178.2697 18 W 4.0722 8.9806 129.5821 60.8951 30.5823 177.7560 19 T 4.0271 8.4503 115.7690 66.8840 67.8798 175.4045 20 Y 4.0730 8.2136 120.9457 61.2369 38.7464 178.8983 21 S 3.9556 8.0078 115.5886 61.5900 62.9080 176.4287 22 E 3.8289 8.1392 122.1979 59.0250 29.0878 178.7193 23 Q 3.7848 7.6251 118.9501 59.1246 29.2529 177.7552 24 R 3.4597 7.3194 118.7999 58.0432 29.9493 176.7817 25 W 5.0177 7.9716 114.0930 55.4496 31.9017 175.6356 26 G 4.0254 8.4463 105.2560 45.1344 0.0000 175.4203 27 V 3.4629 8.3553 111.2950 64.5801 31.4699 178.2474 28 E 3.9006 8.3058 117.3830 60.2293 29.1989 179.5611 29 Q 3.8764 7.9576 116.4657 58.9027 29.0560 178.3919 30 A 3.5814 7.6702 121.5388 55.2014 18.1624 179.6598 31 A 4.0836 8.1798 119.1345 55.2610 18.3941 179.4057 32 D 4.3240 8.3605 117.8807 57.9422 40.9641 178.6247 33 Y 3.9914 8.3245 119.8289 60.5232 38.7478 177.9271 34 A 4.1434 8.0840 121.3739 55.3508 18.5752 179.8277 35 R 4.1303 8.2017 116.5019 59.3827 29.9920 179.2255 36 E 3.9495 7.8756 118.3782 59.1978 29.3663 179.2607 37 L 3.8621 7.6979 119.1466 57.5653 41.5677 179.1288 38 Q 3.9131 8.5278 119.6948 59.2368 28.7626 178.4778 39 A 3.9232 8.1043 120.4501 55.4855 18.5211 179.1343 40 T 3.8843 7.6721 113.0210 66.9635 68.7583 176.5916 41 I 3.6455 7.6475 121.2973 64.1050 37.3526 180.0679 42 E 4.0739 8.5523 120.3320 56.3989 29.7532 179.3922 *44 I 3.8108 7.8462 120.9618 61.3079 39.2510 177.9735 45 A 3.8545 7.8569 122.0720 55.3256 18.2212 178.4552 46 E 3.9463 7.8625 114.8387 59.1698 30.0222 177.5166 47 H 4.9036 7.4584 116.6338 53.2201 28.2777 172.2138 48 P 4.8621 0.0000 0.0000 64.9468 32.0889 179.6533 49 G 3.8569 7.9374 107.9716 44.9277 0.0000 173.4324 *51 G 4.4581 7.6832 104.3036 45.7132 0.0000 173.3288 52 Q 4.3524 8.3518 126.1268 54.9742 29.9751 173.8320 53 P 4.7026 0.0000 0.0000 62.7952 32.5374 176.0123 54 D 4.8370 8.9828 120.1372 52.4516 40.9108 175.7558 55 E 4.0817 8.1664 122.3664 58.7326 30.6454 177.6563 56 N 4.4941 8.1421 115.9621 55.7155 38.9527 176.8137 57 L 3.9237 7.8904 119.4636 56.9635 42.6036 176.4147 58 R 4.5156 8.0723 116.6272 54.3773 33.3819 174.0333 59 A 4.0696 8.7033 127.4076 54.3691 18.5584 177.9312 60 G 3.8973 9.1145 110.9117 45.4620 0.0000 172.7156 61 Y 4.6229 7.6473 117.9856 56.8290 39.8703 174.9550 62 R 5.0789 9.0866 121.9535 54.1757 34.3785 174.5273 63 R 4.9917 8.8045 118.3686 54.6358 32.9456 174.4682 64 C 4.7344 8.6835 121.0198 58.0075 34.6536 173.0539 65 A 4.6781 8.6136 128.3216 51.9065 19.5533 176.7710 66 S 4.3043 9.2019 115.0611 57.6737 66.8197 175.5100 67 G 4.1348 8.8144 118.2507 47.2268 0.0000 174.0697 68 S 4.8128 8.3143 122.6896 57.7962 63.7926 172.5465 69 H 5.3577 8.6670 118.2289 53.8120 33.0516 172.6314 70 V 4.5577 8.9748 118.7618 61.2799 34.9659 174.0707 71 V 4.5412 8.5833 128.2026 61.6566 33.1730 174.2163 72 F 5.5693 9.4298 127.6594 56.1425 41.1695 174.5638 73 Y 5.5540 9.3164 121.3209 55.7737 42.1002 173.7137 74 R 4.8568 8.9222 116.1181 54.4730 33.8795 174.0034 75 V 4.6505 8.3057 118.4632 59.0396 33.1706 175.1975 76 G 4.1666 8.4649 114.6947 45.2538 0.0000 176.5905 77 V 3.7798 8.5088 124.6415 63.3577 31.8402 175.4473 78 R 4.6206 7.4555 115.9547 54.2985 32.5463 173.6696 79 V 4.0557 8.3576 118.1164 63.1090 32.8195 174.2194 80 E 4.9164 9.5339 127.8817 54.5859 32.2019 175.4001 81 I 4.3508 8.5836 127.1550 61.4605 37.5639 176.7617 82 I 4.1257 9.0684 128.9673 63.2790 37.6497 176.6796 83 R 4.8432 8.0836 119.1818 54.4666 35.0171 174.0453 84 V 4.8997 8.7623 121.3921 61.4851 33.3151 174.7289 85 L 5.1186 9.0552 127.7567 52.6468 45.4385 176.0719 86 H 4.3673 8.9817 121.2102 56.1904 30.1221 176.2977 87 Q 4.1546 8.4284 124.5434 58.6558 28.5486 177.7388 88 S 4.2095 7.4777 113.9307 58.3419 62.8008 173.9446 *90 N 4.6124 7.9452 116.1564 54.6069 39.7391 174.0886 91 A 4.5842 8.0073 121.8784 50.7250 22.0945 176.1469 92 R 3.9667 8.4990 121.2426 56.0512 30.5497 176.1593 93 A 4.3613 8.3864 128.6445 51.5796 19.6832 176.1248 94 H 4.4736 8.5493 121.7260 55.5807 30.8986 174.9794 95 L 5.1193 8.0681 125.4305 54.6883 41.9357 176.2399 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 8.30 4.29 0.00 1.72 1.82 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 3 P 0.00 4.34 0.00 2.27 1.98 0.00 3.79 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 1.98 2.00 0.00 4 Y 8.34 5.05 0.00 3.02 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 5 R 8.92 4.57 0.00 1.84 1.91 0.00 3.13 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 6 L 8.15 4.72 0.00 1.80 1.60 1.00 1.05 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 7 S 9.00 4.36 0.00 4.02 4.13 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 8 R 8.83 3.94 0.00 1.90 2.05 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 9 R 8.06 3.86 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 10 A 8.08 4.24 1.53 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 11 K 8.52 3.94 0.00 1.90 2.10 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 12 A 8.72 4.08 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 13 D 8.72 4.39 0.00 2.98 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 14 L 8.03 4.20 0.00 1.94 1.84 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.18 4.46 0.00 2.95 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 16 D 8.35 4.49 0.00 2.93 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 17 I 8.34 3.84 2.20 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 1.35 0.66 1.09 0.00 0.00 18 W 8.98 4.07 0.00 3.64 3.29 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 19 T 8.45 4.03 4.50 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 1.29 0.00 0.00 20 Y 8.21 4.07 0.00 3.09 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 21 S 8.01 3.96 0.00 3.78 3.84 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 22 E 8.14 3.83 0.00 1.77 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 2.36 2.30 0.00 23 Q 7.63 3.78 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 24 R 7.32 3.46 0.00 0.67 0.66 0.00 2.47 0.00 0.00 2.70 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 25 W 7.97 5.02 0.00 3.44 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 26 G 8.45 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 27 V 8.36 3.46 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 1.17 0.00 0.00 1.00 0.00 0.00 28 E 8.31 3.90 0.00 2.04 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 2.42 2.52 0.00 29 Q 7.96 3.88 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 30 A 7.67 3.58 0.30 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 31 A 8.18 4.08 1.56 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 0.00 0.00 32 D 8.36 4.32 0.00 2.80 2.72 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 33 Y 8.32 3.99 0.00 3.09 2.91 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 0.00 0.00 0.00 34 A 8.08 4.14 1.71 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 35 R 8.20 4.13 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 36 E 7.88 3.95 0.00 1.87 1.75 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 2.39 2.34 0.00 37 L 7.70 3.86 0.00 1.88 1.71 1.06 0.90 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 38 Q 8.53 3.91 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 39 A 8.10 3.92 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 40 T 7.67 3.88 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 1.18 0.00 0.00 41 I 7.65 3.65 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.55 0.16 0.00 0.00 42 E 8.55 4.07 0.00 2.06 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 0.00 2.39 2.42 0.00 *44 I 7.85 3.81 1.55 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.91 -0.49 0.00 0.00 45 A 7.86 3.85 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 46 E 7.86 3.95 0.00 2.01 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 2.18 1.98 0.00 47 H 7.46 4.90 0.00 3.15 3.20 0.00 5.76 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.86 0.00 2.12 2.21 0.00 3.77 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 49 G 7.94 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 0.00 0.00 0.00 *51 G 7.68 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.35 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 53 P 0.00 4.70 0.00 2.11 2.01 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 54 D 8.98 4.84 0.00 2.65 2.62 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 55 E 8.17 4.08 0.00 1.96 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 2.30 2.41 0.00 56 N 8.14 4.49 0.00 2.79 2.99 0.00 0.00 6.81 6.74 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 57 L 7.89 3.92 0.00 1.71 1.91 0.84 0.78 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 58 R 8.07 4.52 0.00 1.62 1.33 0.00 2.96 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 59 A 8.70 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 3.90 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 0.00 0.00 0.00 61 Y 7.65 4.62 0.00 3.07 2.92 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 62 R 9.09 5.08 0.00 0.67 1.22 0.00 2.84 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.28 0.00 63 R 8.80 4.99 0.00 1.20 1.51 0.00 2.67 0.00 0.00 2.82 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 64 C 8.68 4.73 0.00 3.17 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 65 A 8.61 4.68 1.18 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 66 S 9.20 4.30 0.00 3.66 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 4.13 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 0.00 0.00 0.00 68 S 8.31 4.81 0.00 4.01 3.84 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 69 H 8.67 5.36 0.00 3.32 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.97 4.56 2.07 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 0.09 0.00 0.00 0.95 0.00 0.00 71 V 8.58 4.54 2.20 0.00 0.00 0.00 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 72 F 9.43 5.57 0.00 3.22 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 73 Y 9.32 5.55 0.00 3.17 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 74 R 8.92 4.86 0.00 1.59 1.21 0.00 2.50 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.35 0.00 75 V 8.31 4.65 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 0.79 0.00 0.00 0.96 0.00 0.00 76 G 8.46 4.17 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 0.00 77 V 8.51 3.78 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 0.78 0.00 0.00 0.93 0.00 0.00 78 R 7.46 4.62 0.00 1.99 2.05 0.00 2.96 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 79 V 8.36 4.06 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 0.96 0.00 0.00 0.96 0.00 0.00 80 E 9.53 4.92 0.00 1.90 1.88 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 2.25 2.39 0.00 81 I 8.58 4.35 1.98 0.00 0.00 0.61 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 0.75 0.97 0.00 0.00 82 I 9.07 4.13 2.22 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 1.10 0.00 0.00 83 R 8.08 4.84 0.00 1.78 1.85 0.00 3.29 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 84 V 8.76 4.90 2.19 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 0.92 0.00 0.00 1.02 0.00 0.00 85 L 9.06 5.12 0.00 1.91 1.63 0.64 0.72 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 86 H 8.98 4.37 0.00 3.15 3.19 0.00 5.69 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 87 Q 8.43 4.15 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 88 S 7.48 4.21 0.00 4.06 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 *90 N 7.95 4.61 0.00 2.93 2.89 0.00 0.00 6.92 7.35 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 91 A 8.01 4.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.50 3.97 0.00 1.78 1.87 0.00 3.29 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 93 A 8.39 4.36 1.26 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 0.00 0.00 0.00 94 H 8.55 4.47 0.00 3.10 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.07 5.12 0.00 1.58 1.43 0.90 0.92 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 * Residues marked with a * may have inaccurate shift predictions.