NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4341 8.1927 115.4116 57.6474 64.7561 174.2576 3 L 3.7318 8.4066 121.8512 57.4000 41.7695 173.6699 4 V 3.5425 8.5381 118.9707 66.1883 31.7163 177.2024 5 E 3.9435 7.7125 116.6271 59.2993 29.3560 178.9266 6 A 4.1426 8.4147 121.1857 55.6157 18.4646 179.9071 7 T 3.8639 8.4018 114.6585 66.6844 68.4419 177.0343 8 L 4.0041 8.1145 120.9034 57.6727 41.3400 179.3372 9 E 4.0098 7.7954 117.7440 58.6284 29.3388 178.8252 10 V 4.2334 7.6425 117.7860 64.2279 32.1033 176.5332 11 I 4.4708 7.3929 107.3689 60.1927 38.2488 175.2281 12 G 3.7303 8.5119 111.5062 44.7032 0.0000 173.5322 13 G 3.8031 8.6235 105.4902 44.9334 0.0000 173.2964 14 K 4.1038 7.6538 115.0822 56.2430 33.1634 176.6257 15 W 4.9262 7.6287 119.2883 58.8223 31.1061 178.2786 16 K 3.9869 8.2192 115.6448 57.5174 31.8759 178.5743 *18 V 4.0067 7.8752 119.8516 63.1455 33.3000 176.6927 19 I 3.9654 8.1686 120.4844 64.6452 37.1640 180.3507 20 L 4.3170 8.1856 120.5030 55.0559 40.7467 179.1744 *22 H 4.7561 8.3598 117.5163 56.0171 30.7452 175.8609 23 L 4.5757 8.2841 120.2321 56.6852 41.1599 179.3083 24 T 4.0742 7.8689 109.2355 63.9450 68.6269 175.2102 25 H 5.0159 8.1746 117.9734 54.2617 29.9764 173.3743 26 G 4.2358 7.2244 106.8122 42.9510 0.0000 174.3774 27 K 4.5122 8.3612 121.3030 56.6773 32.9453 176.5639 28 K 4.9533 8.8784 121.3401 55.0900 37.1626 176.2446 29 R 4.9910 9.0715 122.1384 55.1270 31.6962 178.0227 30 T 3.9444 8.7804 117.1341 66.8843 68.3926 177.1122 31 S 4.2551 8.0753 115.8112 61.4726 62.9968 176.3845 32 E 3.9743 8.0844 121.6898 59.1293 29.1125 179.0518 33 L 3.9360 7.6883 118.1142 57.5022 41.7291 179.1138 34 K 3.9704 8.2653 119.0441 59.3584 32.2093 178.3728 35 R 4.0537 7.7067 117.6837 59.2810 30.3829 179.6189 36 L 4.2332 7.6288 118.3098 54.1183 41.6722 176.3704 *38 P 4.3924 0.0000 0.0000 62.7571 33.2272 176.8991 39 N 4.6569 8.2550 113.8452 53.8030 39.0002 174.3537 40 I 3.8862 7.0989 118.4336 58.7129 40.1356 174.9557 41 T 4.2224 7.7618 116.2670 60.5757 70.1952 174.5632 42 Q 3.9366 8.5538 123.2817 59.3118 29.3254 178.8083 43 K 3.9974 7.9551 114.6425 57.5118 32.1877 177.4378 *45 L 3.9848 8.0270 120.3509 55.0137 43.7759 178.8961 46 T 3.7687 7.9691 115.3356 66.6591 68.3595 176.4126 47 Q 3.9411 8.0390 121.4493 59.2315 29.0805 178.2907 48 Q 4.0193 7.9221 118.6126 58.9580 28.7981 178.5748 49 L 3.8509 7.9772 120.0779 57.8396 41.5070 179.8509 50 R 3.9881 8.1668 118.0657 59.0622 29.8616 179.0724 51 E 3.9646 8.1483 118.3281 59.4578 29.5400 179.2830 52 L 4.0033 8.0269 119.0373 57.6445 41.5910 179.3307 53 E 4.2002 8.7069 120.4200 58.8352 29.4630 178.4723 54 A 4.0729 7.9658 119.5757 55.4183 18.5035 178.5681 55 D 4.6641 8.2477 114.1439 54.2774 41.0741 177.4400 56 G 3.9819 8.2260 108.1262 46.0123 0.0000 174.9223 57 V 4.1302 7.9961 122.1609 64.4761 32.3039 175.8469 58 I 5.2734 7.7469 112.1663 59.1464 41.5745 173.8504 59 N 5.0915 9.3239 120.9475 51.6473 41.3286 173.7166 60 R 4.4156 8.5830 123.2824 55.0150 31.5596 175.1602 61 I 4.2825 8.7641 128.2448 59.6255 39.3606 174.7779 62 V 4.6372 8.2155 127.6714 61.3466 32.9106 174.4777 63 Y 4.1450 8.9846 127.4411 56.6995 38.3073 176.9533 64 N 4.6893 8.5843 125.8819 52.6692 37.3193 172.6535 65 Q 4.6296 7.6221 119.7049 54.2279 32.6425 174.5566 66 V 4.2778 7.9789 116.7606 60.2089 33.8094 173.3824 67 P 4.5283 0.0000 0.0000 61.1148 32.0183 174.1458 68 P 4.4795 0.0000 0.0000 62.7831 31.6075 175.9091 69 K 4.4705 8.3155 120.3060 55.3441 35.4253 174.6458 70 V 4.9255 8.4850 126.7869 61.2083 34.8636 173.8852 71 E 5.0345 9.2442 126.2129 54.7585 34.0501 174.1650 72 Y 5.3144 9.1206 119.4788 56.2950 41.5488 174.7270 73 E 5.0754 8.9793 119.7885 54.2553 33.7924 174.2899 74 L 4.5648 8.5459 123.7522 55.0792 43.1536 176.8747 75 S 4.5962 8.8074 121.4383 57.6958 64.5206 174.9048 76 E 3.9448 8.9519 120.1733 59.7345 29.5481 177.6337 77 Y 4.4434 8.1633 119.1114 60.7505 38.9510 178.0489 78 G 3.5541 8.3403 106.6602 47.7455 0.0000 175.7520 79 R 4.0528 7.9332 119.7681 58.6292 29.8056 178.3892 80 S 4.3250 7.6991 112.2083 59.5546 63.2631 175.0740 81 L 4.3770 7.6501 122.5056 55.1177 41.7543 177.9099 82 E 4.0324 8.1848 120.4988 59.2771 29.1458 179.3033 83 G 3.6226 7.9561 104.3615 47.9795 0.0000 175.3469 84 I 3.8775 7.5881 120.7637 63.8685 37.2527 177.9801 85 L 4.1876 7.8646 119.0505 57.7837 41.5153 180.4617 86 D 4.5442 8.0268 116.0025 54.5126 40.8899 176.9358 *88 L 4.1170 7.8087 117.1409 54.7407 43.5626 178.6500 *90 A 4.2702 7.9476 123.7431 52.0529 20.5991 179.8034 91 W 4.0953 8.2577 124.8518 60.4663 30.7204 178.3787 92 G 3.7342 8.6946 105.7725 47.4348 0.0000 175.6144 93 A 3.9653 7.8950 121.7968 55.2504 18.6152 178.9559 94 N 4.2639 7.7825 114.4615 56.5296 38.4570 177.1428 95 H 3.7265 7.7764 119.4946 59.2758 29.7105 177.2669 96 I 3.6514 7.5892 120.2925 64.5426 37.0010 177.6979 97 N 4.4680 7.5904 115.3438 54.8983 38.5205 175.1801 98 R 3.9839 7.7933 125.6907 56.3735 30.1546 175.6939 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 S 8.19 4.43 0.00 4.01 4.07 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 3 L 8.41 3.73 0.00 1.85 1.70 0.92 0.48 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 4 V 8.54 3.54 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 0.98 0.00 0.00 0.91 0.00 0.00 5 E 7.71 3.94 0.00 2.06 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 2.33 2.31 0.00 6 A 8.41 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.40 3.86 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 1.20 0.00 0.00 8 L 8.11 4.00 0.00 1.84 1.69 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.80 4.01 0.00 2.15 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 2.55 2.46 0.00 10 V 7.64 4.23 2.23 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 0.96 0.00 0.00 0.96 0.00 0.00 11 I 7.39 4.47 1.85 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 1.53 0.82 0.89 0.00 0.00 12 G 8.51 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.65 4.10 0.00 1.20 1.45 0.00 0.79 0.00 0.00 0.79 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.39 0.21 7.81 15 W 7.63 4.93 0.00 3.36 3.10 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 16 K 8.22 3.99 0.00 1.84 1.87 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.54 7.81 *18 V 7.88 4.01 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 19 I 8.17 3.97 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.89 0.00 0.00 20 L 8.19 4.32 0.00 1.66 1.67 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *22 H 8.36 4.76 0.00 3.42 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.28 4.58 0.00 1.85 1.76 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.87 4.07 4.22 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 1.22 0.00 0.00 25 H 8.17 5.02 0.00 3.12 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.22 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 27 K 8.36 4.51 0.00 1.70 1.82 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 28 K 8.88 4.95 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.66 7.81 29 R 9.07 4.99 0.00 1.78 1.95 0.00 3.11 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 30 T 8.78 3.94 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 1.19 0.00 0.00 31 S 8.08 4.26 0.00 4.03 4.12 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 32 E 8.08 3.97 0.00 2.20 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 2.39 2.39 0.00 33 L 7.69 3.94 0.00 1.76 1.67 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.27 3.97 0.00 1.68 1.96 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81 35 R 7.71 4.05 0.00 1.97 2.11 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 36 L 7.63 4.23 0.00 1.47 1.51 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *38 P 0.00 4.39 0.00 2.22 2.23 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 39 N 8.26 4.66 0.00 3.09 3.23 0.00 0.00 6.68 7.45 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 40 I 7.10 3.89 0.56 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.56 0.00 0.00 41 T 7.76 4.22 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 1.16 0.00 0.00 42 Q 8.55 3.94 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 43 K 7.96 4.00 0.00 1.79 1.71 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.41 7.81 *45 L 8.03 3.98 0.00 1.61 1.77 0.76 0.74 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 46 T 7.97 3.77 4.34 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 1.20 0.00 0.00 47 Q 8.04 3.94 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 48 Q 7.92 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 49 L 7.98 3.85 0.00 1.61 1.22 0.33 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.17 3.99 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 51 E 8.15 3.96 0.00 2.22 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 0.00 2.34 2.45 0.00 52 L 8.03 4.00 0.00 1.84 1.74 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.71 4.20 0.00 2.15 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 0.00 2.36 2.25 0.00 54 A 7.97 4.07 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 55 D 8.25 4.66 0.00 2.72 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 56 G 8.23 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 0.00 0.00 0.00 57 V 8.00 4.13 2.23 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 0.93 0.00 0.00 1.05 0.00 0.00 58 I 7.75 5.27 2.11 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 1.32 0.93 0.96 0.00 0.00 59 N 9.32 5.09 0.00 2.77 2.75 0.00 0.00 6.80 7.53 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 60 R 8.58 4.42 0.00 2.01 1.83 0.00 3.39 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.00 61 I 8.76 4.28 1.95 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 1.06 0.60 0.70 0.00 0.00 62 V 8.22 4.64 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 0.81 0.00 0.00 0.89 0.00 0.00 63 Y 8.98 4.14 0.00 2.92 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 64 N 8.58 4.69 0.00 2.67 2.76 0.00 0.00 6.99 7.08 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 65 Q 7.62 4.63 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 66 V 7.98 4.28 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 0.87 0.00 0.00 0.94 0.00 0.00 67 P 0.00 4.53 0.00 2.07 1.98 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 2.01 2.06 0.00 68 P 0.00 4.48 0.00 2.18 2.07 0.00 3.35 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 69 K 8.32 4.47 0.00 1.72 1.61 0.00 1.40 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.05 1.21 7.81 70 V 8.48 4.93 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 0.67 0.00 0.00 0.92 0.00 0.00 71 E 9.24 5.03 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 72 Y 9.12 5.31 0.00 2.88 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 73 E 8.98 5.08 0.00 2.04 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 2.22 2.28 0.00 74 L 8.55 4.56 0.00 1.69 1.64 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.81 4.60 0.00 4.04 4.07 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 76 E 8.95 3.94 0.00 2.02 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 0.00 2.35 2.41 0.00 77 Y 8.16 4.44 0.00 3.07 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 78 G 8.34 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.93 4.05 0.00 2.05 1.99 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 80 S 7.70 4.33 0.00 3.95 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 81 L 7.65 4.38 0.00 1.79 1.65 0.82 0.74 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 82 E 8.18 4.03 0.00 2.01 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 2.31 2.50 0.00 83 G 7.96 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 0.00 0.00 0.00 84 I 7.59 3.88 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.54 0.87 0.00 0.00 85 L 7.86 4.19 0.00 1.79 1.72 0.89 0.98 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 86 D 8.03 4.54 0.00 2.79 2.71 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 *88 L 7.81 4.12 0.00 1.90 1.72 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *90 A 7.95 4.27 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 91 W 8.26 4.10 0.00 3.43 3.36 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 0.00 0.00 0.00 0.00 92 G 8.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 3.97 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 94 N 7.78 4.26 0.00 2.55 2.56 0.00 0.00 6.73 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 7.78 3.73 0.00 2.48 3.27 0.00 5.80 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 96 I 7.59 3.65 1.98 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 1.53 0.79 0.89 0.00 0.00 97 N 7.59 4.47 0.00 2.73 2.79 0.00 0.00 7.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.79 3.98 0.00 1.68 1.69 0.00 3.14 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.