NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2841 8.3144 121.7918 56.4178 32.6635 174.9502 3 N 4.6554 9.5466 127.5254 51.4483 40.6076 171.1181 4 I 4.7147 8.9350 128.3529 60.0439 38.8735 175.0220 5 K 4.6940 8.6933 125.2834 55.1006 37.4234 175.2784 6 I 5.5510 8.7254 123.0705 58.7725 41.0402 174.3614 *8 R 4.2157 8.2704 121.7433 56.6792 31.1334 175.5451 9 L 4.8562 8.6763 127.3474 53.9157 42.9599 178.7211 10 V 3.7486 8.3531 120.1349 64.4225 31.5537 177.4290 11 T 4.1230 7.8261 108.8613 62.0455 69.0245 174.5241 12 G 4.0757 7.9877 110.9065 45.7213 0.0000 174.3077 13 E 4.2732 8.0117 118.1911 56.3277 31.3244 175.5144 14 D 5.0508 8.5236 121.0295 52.8000 43.4329 175.3110 15 I 4.6841 8.0390 124.0438 59.3304 40.2866 174.3976 16 I 4.7874 8.6128 125.7970 59.2875 41.2888 174.5711 17 G 4.1375 7.8154 114.2291 45.6112 0.0000 171.4357 18 N 5.0701 8.6085 119.2655 53.2700 39.5803 173.7304 19 I 5.0751 8.7994 128.3579 59.5208 39.5178 175.6262 20 S 4.6116 8.9490 120.4993 56.7491 66.3559 173.0065 21 E 4.9147 8.9233 123.1504 53.9591 29.6063 174.6939 22 S 4.7363 8.2984 118.3728 57.0145 65.8459 174.2583 23 Q 3.1310 8.3905 126.4023 57.9458 28.3534 174.3748 24 G 4.2697 8.4537 98.1215 46.0990 0.0000 172.3174 25 L 5.2622 8.0760 119.2820 52.5207 46.0152 175.6731 26 I 4.7170 8.7413 122.9305 60.0222 39.8166 174.6180 27 T 4.9885 8.9443 124.4571 62.0652 70.6614 173.6695 28 I 5.0910 9.1517 127.2870 59.4676 40.3366 174.6566 29 K 5.0741 9.2028 128.7486 54.9307 34.7660 176.6584 30 K 4.1744 8.4801 122.9601 55.5675 28.8186 173.1279 31 A 5.0022 7.4918 123.2464 51.1052 21.2102 177.5867 32 F 5.2885 9.4460 121.1194 55.5076 43.3135 174.6462 33 V 4.1938 9.2645 123.2439 62.7380 32.9145 175.1742 34 I 4.6339 8.5797 129.4879 60.3812 37.5813 175.1363 35 I 4.3824 8.8527 130.2463 59.3201 38.5756 174.6087 36 P 5.0920 0.0000 0.0000 61.7381 33.6829 174.7112 *38 Q 4.1678 8.1999 116.5634 56.1155 29.2331 170.1580 39 A 4.2926 8.1868 114.0188 54.1188 23.7622 174.7536 *44 P 3.9819 0.0000 0.0000 62.2754 31.3178 176.4671 45 V 3.8632 8.2081 124.3134 61.8960 31.4207 175.0075 46 Q 4.4743 8.4455 128.6953 54.8368 30.3610 173.7411 47 L 4.9309 8.2390 123.5080 53.0787 44.0472 175.8474 48 V 4.4336 8.9737 122.9555 61.0598 34.5043 174.0026 49 L 5.1219 8.4904 127.5931 53.6715 42.9204 175.8807 50 S 5.0023 9.0390 117.9871 55.5129 66.2621 171.2713 51 P 3.9175 0.0000 0.0000 63.1654 31.0103 176.1356 52 W 4.3449 8.8113 135.0000 60.1328 31.4921 176.4739 53 Q 4.0726 7.7812 121.0713 52.9978 28.0860 173.9562 54 P 4.2889 0.0000 0.0000 64.6359 31.9940 177.4574 55 Y 4.7370 7.4388 115.6899 58.3156 37.9112 174.6583 56 T 4.6781 7.2996 112.9590 60.8120 70.5313 173.2734 57 D 4.7260 8.4685 124.2977 54.0489 41.6552 176.8468 58 D 4.4573 7.6041 119.7657 54.7913 41.3885 176.8963 59 K 4.2165 8.7216 122.1833 58.0138 32.8414 176.4197 60 E 5.1207 7.9820 116.7924 54.5182 32.0414 175.8570 61 I 4.6445 8.7794 123.7394 59.4858 41.1629 174.3538 62 V 4.9998 8.5477 126.3446 61.1084 33.2760 174.6759 63 I 4.7539 8.6073 120.9695 58.8182 40.9358 174.6344 64 D 4.7356 8.6999 124.6328 54.0436 42.0689 176.7026 65 D 4.5617 8.5397 125.1311 55.4032 39.6966 178.4889 66 S 4.2014 8.6433 114.9177 60.6355 63.2438 175.0371 67 K 4.3520 8.1809 119.9837 56.0419 32.0573 175.6675 68 V 4.7398 7.4301 119.5369 61.0824 33.3340 175.5208 69 I 4.0081 8.8481 129.4302 64.0390 37.3569 176.3852 70 T 4.7765 7.4254 107.2048 60.0864 71.8157 173.2328 71 I 4.7248 8.2662 123.5449 59.8975 40.0167 174.7553 72 T 4.7582 8.6218 121.0439 60.4029 71.3055 172.6611 73 S 4.7636 8.5456 122.5409 56.4357 64.3375 172.4285 74 P 4.4313 0.0000 0.0000 61.8924 32.2597 176.3194 75 K 4.0925 8.4597 121.4066 57.0523 33.0058 178.4362 76 D 4.4006 8.8742 123.8662 59.0102 39.6406 179.5358 77 D 4.5994 8.1717 119.9533 57.5317 40.7408 179.1457 78 I 3.8607 7.6451 121.2568 63.6699 37.0158 178.5653 79 I 3.7863 7.8237 122.7153 64.8478 36.9489 178.9017 80 K 3.9814 8.1609 124.7410 59.9212 31.0625 180.9189 81 S 4.3691 7.9392 117.1226 60.7986 62.4840 175.8897 82 Y 3.8892 8.3593 125.8291 60.8415 38.3073 178.4808 83 E 3.9689 8.7450 118.5929 61.2896 29.6558 180.9423 84 S 4.3978 8.3234 115.6443 61.2913 62.7590 176.2193 85 H 4.0915 7.8785 119.6044 57.2374 29.7589 176.7951 86 T 4.4510 6.8830 112.6714 59.6627 65.6032 174.5758 87 S 4.0834 7.4257 120.1986 59.3709 62.4932 173.3054 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 8.31 4.28 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 N 9.55 4.66 0.00 2.84 2.84 0.00 0.00 6.81 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 4 I 8.94 4.71 1.73 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 1.33 0.95 0.34 0.00 0.00 5 K 8.69 4.69 0.00 1.55 1.56 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.50 7.81 6 I 8.73 5.55 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.24 0.83 0.00 0.00 *8 R 8.27 4.22 0.00 1.84 1.83 0.00 3.31 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 9 L 8.68 4.86 0.00 1.62 1.60 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.35 3.75 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 0.72 0.00 0.00 0.94 0.00 0.00 11 T 7.83 4.12 4.29 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 1.26 0.00 0.00 12 G 7.99 4.08 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 0.00 0.00 0.00 13 E 8.01 4.27 0.00 1.90 1.85 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 2.45 2.39 0.00 14 D 8.52 5.05 0.00 2.52 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 15 I 8.04 4.68 1.35 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 0.57 -0.36 0.25 0.00 0.00 16 I 8.61 4.79 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 1.52 1.09 0.00 0.00 17 G 7.82 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 0.00 0.00 0.00 18 N 8.61 5.07 0.00 2.93 2.81 0.00 0.00 7.50 7.20 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 19 I 8.80 5.08 1.83 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 1.41 0.96 0.89 0.00 0.00 20 S 8.95 4.61 0.00 3.86 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 21 E 8.92 4.91 0.00 1.85 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 2.21 2.10 0.00 22 S 8.30 4.74 0.00 3.83 3.68 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 23 Q 8.39 3.13 0.00 2.15 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 24 G 8.45 4.27 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 0.00 0.00 0.00 25 L 8.08 5.26 0.00 1.72 1.54 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.74 4.72 1.89 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 1.23 0.70 0.91 0.00 0.00 27 T 8.94 4.99 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 1.28 0.00 0.00 28 I 9.15 5.09 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.94 0.00 0.00 29 K 9.20 5.07 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.24 7.81 30 K 8.48 4.17 0.00 1.88 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 0.98 7.81 31 A 7.49 5.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.45 5.29 0.00 3.10 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 33 V 9.26 4.19 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 0.96 0.00 0.00 1.15 0.00 0.00 34 I 8.58 4.63 1.85 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 1.23 0.69 0.90 0.00 0.00 35 I 8.85 4.38 1.90 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 1.31 0.86 0.93 0.00 0.00 36 P 0.00 5.09 0.00 2.07 2.08 0.00 3.41 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 *38 Q 8.20 4.17 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 39 A 8.19 4.29 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 *44 P 0.00 3.98 0.00 2.21 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 45 V 8.21 3.86 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 0.79 0.00 0.00 0.93 0.00 0.00 46 Q 8.45 4.47 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 47 L 8.24 4.93 0.00 1.55 1.55 0.91 0.82 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 48 V 8.97 4.43 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 1.01 0.00 0.00 0.95 0.00 0.00 49 L 8.49 5.12 0.00 1.04 1.41 0.79 0.81 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 50 S 9.04 5.00 0.00 3.96 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 51 P 0.00 3.92 0.00 1.88 1.76 0.00 3.82 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 2.10 0.00 52 W 8.81 4.34 0.00 3.16 3.17 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 53 Q 7.78 4.07 0.00 1.79 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 54 P 0.00 4.29 0.00 2.18 2.10 0.00 3.19 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.74 0.00 55 Y 7.44 4.74 0.00 2.88 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 56 T 7.30 4.68 4.20 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 1.15 0.00 0.00 57 D 8.47 4.73 0.00 2.69 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 58 D 7.60 4.46 0.00 2.65 2.75 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 0.00 0.00 0.00 59 K 8.72 4.22 0.00 1.83 1.87 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.46 7.81 60 E 7.98 5.12 0.00 1.84 1.86 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 2.24 2.32 0.00 61 I 8.78 4.64 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.90 0.00 0.00 62 V 8.55 5.00 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 0.90 0.00 0.00 0.95 0.00 0.00 63 I 8.61 4.75 1.96 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 1.33 1.21 1.19 0.00 0.00 64 D 8.70 4.74 0.00 2.72 2.59 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 65 D 8.54 4.56 0.00 2.90 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 66 S 8.64 4.20 0.00 3.98 4.05 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 67 K 8.18 4.35 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 68 V 7.43 4.74 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 0.79 0.00 0.00 0.90 0.00 0.00 69 I 8.85 4.01 1.85 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 1.35 0.64 0.90 0.00 0.00 70 T 7.43 4.78 4.21 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 1.19 0.00 0.00 71 I 8.27 4.72 1.84 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 1.18 0.63 0.87 0.00 0.00 72 T 8.62 4.76 4.20 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 1.16 0.00 0.00 73 S 8.55 4.76 0.00 3.98 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 74 P 0.00 4.43 0.00 2.14 2.01 0.00 3.71 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 1.92 1.86 0.00 75 K 8.46 4.09 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.42 7.81 76 D 8.87 4.40 0.00 2.68 2.69 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 77 D 8.17 4.60 0.00 2.75 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 78 I 7.65 3.86 1.97 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 1.52 0.99 0.89 0.00 0.00 79 I 7.82 3.79 2.02 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 1.46 0.96 0.95 0.00 0.00 80 K 8.16 3.98 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 81 S 7.94 4.37 0.00 4.06 4.15 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 0.00 0.00 0.00 82 Y 8.36 3.89 0.00 3.07 3.17 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 83 E 8.74 3.97 0.00 2.07 1.86 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 2.26 2.20 0.00 84 S 8.32 4.40 0.00 3.97 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 85 H 7.88 4.09 0.00 2.94 2.66 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 6.88 4.45 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 1.01 0.00 0.00 87 S 7.43 4.08 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.