NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3267 8.2649 123.5831 50.4209 20.2797 176.6513 2 N 5.2120 8.1734 110.8587 48.4809 43.1565 172.6061 3 I 4.4737 8.9212 115.2306 59.9440 41.1842 174.2521 4 T 4.8233 8.3651 119.3999 61.9563 71.5974 173.3969 5 V 4.7466 8.2416 120.0381 59.9324 33.9692 175.1303 6 F 5.3668 9.2619 123.1319 55.9476 41.7474 176.2673 7 Y 4.4189 9.3072 119.9215 60.2909 38.6183 175.8065 8 N 5.1280 8.3048 115.2423 50.7397 42.0045 173.7460 9 E 4.2521 8.4827 119.2217 57.0809 30.0815 176.0262 10 D 3.5603 8.8226 117.0951 55.5330 39.1056 174.0877 11 F 2.6047 7.0676 112.0103 58.8693 36.8356 174.7237 12 Q 4.5638 7.3113 116.8300 54.7380 32.1604 177.1839 13 G 4.1884 8.5011 108.1417 44.2099 0.0000 172.6996 14 K 3.8471 8.4163 118.8607 57.3449 32.6517 176.1941 15 Q 5.1798 8.2994 123.3279 53.4486 32.0640 174.5354 16 V 4.3676 7.6226 119.3647 61.6493 35.2193 173.1806 17 D 5.1022 8.5948 127.2353 53.6861 42.5281 175.9423 18 L 4.6321 8.7519 122.2706 52.2184 44.8767 174.8648 19 P 5.2470 0.0000 0.0000 60.6321 32.9987 174.1060 20 P 4.5265 0.0000 0.0000 62.1345 32.0251 177.1386 21 G 3.8324 7.5886 111.0662 45.2537 0.0000 170.1922 22 N 5.2095 7.5692 116.5667 51.4405 40.8188 174.4219 23 Y 4.9120 9.8026 121.6659 56.4537 41.3295 175.8623 24 T 4.1913 8.5964 115.1667 60.5599 71.1349 175.7470 25 R 4.0387 9.6048 122.4671 59.0849 29.9098 178.2494 26 A 4.0427 7.9139 119.9032 55.2844 18.1477 179.4967 27 Q 4.0745 8.0005 116.7942 58.8939 28.7253 178.8939 28 L 4.0598 8.3543 120.2217 57.7449 41.6985 179.2760 29 A 4.1068 8.1490 120.5238 55.1866 18.0906 179.4860 30 A 4.1210 7.9689 117.9775 54.2222 18.4528 178.7262 31 L 4.5463 7.2372 114.6126 54.1582 41.9515 177.1344 32 G 3.7768 7.8684 106.6452 45.8649 0.0000 174.1339 33 I 4.4631 7.5966 120.9091 58.9306 37.2088 175.6212 34 E 4.1714 9.2243 125.7834 55.6594 29.7819 177.2152 35 N 4.2460 8.6496 119.9192 55.1928 40.3289 174.2571 36 N 4.3671 8.5135 120.6540 55.0635 36.6448 175.3562 37 T 4.4150 7.1999 104.2786 61.2515 71.3262 175.0463 38 I 4.0558 7.5453 123.7429 61.9544 37.5914 176.6231 39 S 4.8783 9.7693 120.9509 57.0746 65.7636 173.7466 40 S 4.8516 7.9463 112.7113 57.4509 66.1362 173.6807 41 V 5.2814 9.1710 120.6109 61.5897 35.6188 173.6348 42 K 4.8554 9.2291 126.4305 54.7452 34.7577 175.5985 43 V 4.3481 9.0776 124.5418 60.4597 34.4772 173.4794 44 P 4.6375 0.0000 0.0000 60.8243 32.6081 173.8553 45 P 4.3693 0.0000 0.0000 64.1786 31.6731 177.3100 46 G 4.3410 9.7094 109.4677 44.3653 0.0000 173.1285 47 V 5.1919 7.0515 110.2038 59.8373 36.1169 174.5036 48 K 4.8963 8.9867 120.1992 55.8111 36.5156 174.6525 49 A 5.2621 8.8506 121.4207 50.3035 23.3535 175.1580 50 I 4.6426 8.5860 120.6977 59.5353 40.1466 174.6408 51 L 4.8628 8.5593 128.0121 53.4848 43.6151 175.4166 52 Y 5.1656 8.6748 120.9351 56.2744 40.5072 176.7632 53 Q 5.0654 8.9686 124.2215 57.7139 29.7140 175.8081 54 N 4.9931 7.9978 115.6665 50.8393 41.1140 173.8262 55 D 4.4343 8.2521 119.9574 55.3569 41.9178 176.0318 56 G 3.4461 8.0431 108.7576 45.5372 0.0000 173.6496 57 F 2.3000 6.7842 114.6237 57.6560 36.7418 174.3963 58 A 4.6794 7.1931 121.1893 50.8083 22.8106 176.5864 59 G 4.0607 8.5952 104.7184 44.0971 0.0000 172.8109 60 D 4.7295 8.4657 117.7824 54.8246 42.5234 176.2281 61 Q 4.9437 8.2703 120.4091 55.4192 32.1119 173.1614 62 I 4.5402 8.3319 118.9617 59.4369 41.7535 172.9507 63 E 4.8419 8.8184 130.2733 55.0200 30.8704 175.0435 64 V 4.4371 8.7477 121.0921 59.7696 33.7527 176.8677 65 V 4.2589 8.3508 116.2512 60.7671 32.8426 174.3221 66 A 4.7830 7.5142 119.8902 51.4417 22.1268 175.8689 67 N 4.5595 8.9340 116.0152 54.4638 39.4608 175.3334 68 A 4.6963 9.8059 124.2536 50.0689 21.4572 176.7184 69 E 3.1456 8.9162 120.9731 59.1259 30.0115 176.6627 70 E 5.1575 7.5165 114.5969 54.9295 32.7037 174.3786 71 L 4.7608 8.2621 116.4318 53.4519 44.3714 178.2781 72 G 3.8100 7.9988 111.9784 45.8488 0.0000 176.1900 73 P 4.2736 0.0000 0.0000 64.9569 31.0345 176.7283 74 L 4.3505 7.6730 117.0482 54.4006 41.5113 176.3389 75 N 4.2627 8.0340 119.4055 55.1437 39.3123 174.4718 76 N 3.9060 8.5915 122.1591 52.8636 37.0376 175.0804 77 N 5.0712 7.7612 108.7060 53.3157 41.1618 173.7064 78 V 4.7585 7.8511 119.2488 61.8856 32.8040 176.1005 79 S 5.0037 9.7087 122.8781 57.7153 65.8756 173.8195 80 S 4.8661 7.9161 112.9334 57.2653 66.3824 173.1323 81 I 5.5643 9.4604 121.2708 60.2116 42.2469 174.2199 82 R 5.0037 9.1205 124.1557 54.5979 33.2351 174.6317 83 V 4.7932 9.1596 125.3867 61.4481 33.5242 174.5260 84 I 4.8848 9.0050 128.7280 59.3223 40.5076 175.0962 85 S 4.5725 8.7901 123.2207 58.5868 63.6431 174.8809 86 V 4.0701 8.4140 125.2822 62.0671 30.6143 176.1127 87 P 3.5388 0.0000 0.0000 64.6753 32.9848 176.9457 *88 V 3.9231 7.4541 118.6531 61.0799 32.2372 177.4788 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 1 A 8.26 4.33 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 2 N 8.17 5.21 0.00 2.69 2.73 0.00 0.00 6.49 6.44 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 3 I 8.92 4.47 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 1.35 1.00 0.94 0.00 0.00 4 T 8.37 4.82 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 0.89 0.00 0.00 5 V 8.24 4.75 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 0.78 0.00 0.00 0.93 0.00 0.00 6 F 9.26 5.37 0.00 3.13 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 7 Y 9.31 4.42 0.00 2.82 3.08 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 0.00 0.00 0.00 0.00 8 N 8.30 5.13 0.00 2.90 2.70 0.00 0.00 6.90 8.98 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 9 E 8.48 4.25 0.00 1.88 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 2.46 2.30 0.00 10 D 8.82 3.56 0.00 2.56 2.49 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 0.00 0.00 0.00 0.00 11 F 7.07 2.60 0.00 2.76 1.76 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 12 Q 7.31 4.56 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 13 G 8.50 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 14 K 8.42 3.85 0.00 1.44 0.83 0.00 0.61 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.94 1.13 7.81 15 Q 8.30 5.18 0.00 1.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.44 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 16 V 7.62 4.37 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 0.86 0.00 0.00 0.84 0.00 0.00 17 D 8.59 5.10 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.63 0.00 1.42 1.29 0.65 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 5.25 0.00 2.14 2.23 0.00 3.45 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 20 P 0.00 4.53 0.00 1.98 2.06 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 21 G 7.59 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 22 N 7.57 5.21 0.00 2.38 2.23 0.00 0.00 6.61 7.46 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 23 Y 9.80 4.91 0.00 3.05 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 24 T 8.60 4.19 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 1.17 0.00 0.00 25 R 9.60 4.04 0.00 1.92 2.07 0.00 3.11 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 26 A 7.91 4.04 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 27 Q 8.00 4.07 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 28 L 8.35 4.06 0.00 1.89 1.86 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.15 4.11 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 30 A 7.97 4.12 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.24 4.55 0.00 1.75 1.65 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.87 3.78 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 0.00 0.00 0.00 33 I 7.60 4.46 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.94 0.00 0.00 34 E 9.22 4.17 0.00 1.93 1.90 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 2.42 2.40 0.00 35 N 8.65 4.25 0.00 2.78 2.67 0.00 0.00 7.22 6.71 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 36 N 8.51 4.37 0.00 2.86 2.95 0.00 0.00 6.47 7.17 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 37 T 7.20 4.41 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 1.03 0.00 0.00 38 I 7.55 4.06 1.86 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 1.36 0.49 0.96 0.00 0.00 39 S 9.77 4.88 0.00 3.84 3.88 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 40 S 7.95 4.85 0.00 3.96 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 41 V 9.17 5.28 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 0.92 0.00 0.00 1.03 0.00 0.00 42 K 9.23 4.86 0.00 1.74 1.57 0.00 1.65 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.33 1.01 7.81 43 V 9.08 4.35 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 1.03 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.64 0.00 2.25 2.16 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 45 P 0.00 4.37 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 46 G 9.71 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 0.00 0.00 0.00 0.00 47 V 7.05 5.19 2.10 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 0.80 0.00 0.00 0.98 0.00 0.00 48 K 8.99 4.90 0.00 1.95 1.86 0.00 1.26 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 49 A 8.85 5.26 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 50 I 8.59 4.64 1.79 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.31 0.00 0.00 51 L 8.56 4.86 0.00 1.53 1.57 0.94 0.73 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 52 Y 8.67 5.17 0.00 3.04 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 53 Q 8.97 5.07 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 54 N 8.00 4.99 0.00 2.82 2.64 0.00 0.00 6.52 9.28 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 55 D 8.25 4.43 0.00 2.53 2.46 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 56 G 8.04 3.45 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 0.00 57 F 6.78 2.30 0.00 2.89 2.30 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 58 A 7.19 4.68 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 59 G 8.60 4.06 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 0.00 60 D 8.47 4.73 0.00 2.84 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 61 Q 8.27 4.94 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 62 I 8.33 4.54 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.56 0.88 0.00 0.00 63 E 8.82 4.84 0.00 1.97 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 2.31 0.00 64 V 8.75 4.44 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 0.68 0.00 0.00 0.99 0.00 0.00 65 V 8.35 4.26 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 0.73 0.00 0.00 0.94 0.00 0.00 66 A 7.51 4.78 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.93 4.56 0.00 2.68 3.04 0.00 0.00 6.58 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 68 A 9.81 4.70 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 69 E 8.92 3.15 0.00 1.91 1.83 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 2.26 2.16 0.00 70 E 7.52 5.16 0.00 2.18 1.83 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 2.12 2.25 0.00 71 L 8.26 4.76 0.00 1.68 1.64 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.00 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 0.00 0.00 0.00 73 P 0.00 4.27 0.00 2.19 2.20 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 74 L 7.67 4.35 0.00 1.65 1.73 0.91 1.05 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 75 N 8.03 4.26 0.00 2.85 2.76 0.00 0.00 7.29 6.43 0.00 0.00 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 N 8.59 3.91 0.00 2.83 2.87 0.00 0.00 6.74 7.51 0.00 0.00 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 N 7.76 5.07 0.00 2.72 2.72 0.00 0.00 7.16 7.68 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 78 V 7.85 4.76 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 1.13 0.00 0.00 0.94 0.00 0.00 79 S 9.71 5.00 0.00 3.73 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 80 S 7.92 4.87 0.00 3.45 3.58 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 81 I 9.46 5.56 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 1.11 0.00 0.00 82 R 9.12 5.00 0.00 1.93 1.82 0.00 2.53 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.90 0.00 83 V 9.16 4.79 2.42 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 1.09 0.00 0.00 1.13 0.00 0.00 84 I 9.01 4.88 1.88 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 1.22 0.64 0.91 0.00 0.00 85 S 8.79 4.57 0.00 3.76 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 86 V 8.41 4.07 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 0.98 0.00 0.00 0.99 0.00 0.00 87 P 0.00 3.54 0.00 2.12 2.09 0.00 3.76 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 2.01 2.13 0.00 *88 V 7.45 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.