NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2897 8.3149 121.7956 56.0948 34.4616 176.3597 5 T 4.2639 7.7639 115.4985 62.0796 70.8911 174.1984 6 F 4.2488 9.7487 126.6983 61.9445 39.3284 177.2610 7 E 4.1859 8.4577 117.4960 59.2456 29.1539 179.1528 8 E 4.0306 8.0845 118.3360 59.4967 29.8213 179.0957 9 L 4.0340 7.8983 118.9013 57.6306 41.7104 179.4387 10 F 4.0865 8.0181 120.2995 61.5950 38.8693 177.4457 11 T 3.7457 7.6937 114.5100 66.2630 68.1114 176.6869 12 E 3.9631 7.8080 120.8346 59.3991 29.0645 179.3270 13 L 4.0109 7.6570 118.5276 57.6963 41.3840 179.5470 14 Q 3.7889 7.3660 117.2002 58.8979 28.8185 177.9870 15 H 4.3259 7.8267 118.7778 59.1439 29.7999 177.4140 16 K 3.9959 7.7294 117.8464 58.2924 31.6838 178.0702 17 A 4.3582 7.4318 119.4622 52.2536 18.9281 178.5231 18 A 3.8828 7.8101 120.1460 53.9336 19.7567 177.6906 19 N 4.8735 6.8290 111.8087 53.7503 38.5170 175.9135 *24 T 4.3235 8.2238 122.9814 64.6264 70.2581 175.9626 25 S 4.2612 7.9879 115.5550 59.3300 63.4579 175.4009 26 R 4.1837 8.6220 119.7770 56.6934 30.8746 177.0029 27 T 4.2140 8.4401 117.2110 62.8978 70.5213 174.6763 28 A 3.9064 7.6023 127.6737 52.3174 17.4084 177.8673 29 E 4.6026 8.4828 125.1787 56.0719 28.8374 177.2484 30 L 3.9575 7.6704 121.4226 56.9744 42.1696 178.7533 31 V 3.5902 7.7871 117.4479 65.9049 31.3812 177.1001 32 D 4.4410 7.4646 116.8261 57.3046 41.2240 178.1592 33 K 4.1326 7.8591 117.3882 57.6353 32.4547 176.9869 34 G 3.8621 8.3267 104.7796 44.2311 0.0000 174.0367 35 V 3.5407 8.4542 116.4774 66.2738 31.2885 177.2148 36 H 3.9709 8.3420 117.1411 59.5023 29.1198 176.7997 37 A 4.0339 8.0065 121.7737 55.2916 18.2861 179.5352 38 I 3.8885 7.7654 118.3821 64.2431 37.1763 178.8903 39 G 3.5864 8.7343 107.1104 47.5528 0.0000 175.8301 40 K 3.9224 7.9304 120.8728 59.2404 32.0226 179.5083 41 K 3.8681 7.6312 117.5565 59.4096 31.9717 179.5100 42 V 3.5774 7.8137 118.4377 66.1560 30.9169 178.3111 43 V 3.6754 7.9240 118.1805 65.7826 31.3443 177.7899 44 E 4.1034 8.5161 117.7224 59.2368 29.5271 178.9527 45 E 4.0374 8.6160 119.7459 58.9747 29.4907 178.9604 46 A 4.0372 8.2118 120.7819 55.1693 18.2311 179.5445 47 A 4.1538 7.5929 117.3180 55.4535 18.5331 179.4353 48 E 4.1086 8.0116 116.2683 59.3381 29.7614 179.4235 49 V 3.8734 8.2735 118.7643 65.7140 31.6605 178.6666 50 W 4.5822 8.2755 124.1681 58.4942 30.2955 177.0174 *52 A 4.3254 8.0080 122.1519 51.7129 19.9513 179.6917 53 A 4.0533 8.3038 118.0113 55.1693 18.7927 178.5833 54 E 4.0553 8.3576 115.9006 58.8427 29.8264 176.9495 55 Y 4.5035 7.9592 112.9319 57.9727 39.4518 175.0373 56 E 4.6209 7.9650 118.8211 54.2061 32.1622 175.8330 57 G 3.9453 8.1927 106.4370 44.1502 0.0000 174.6762 58 K 3.9934 8.4863 119.1992 59.3658 31.9454 179.1895 59 D 4.2807 8.0848 117.5074 57.3776 41.2919 177.8766 60 A 3.9987 8.0813 120.5485 55.3014 18.3707 179.3336 61 A 4.0249 8.1343 118.9524 55.1233 18.4293 179.7736 62 A 3.9901 8.0484 119.5917 55.0850 18.5138 179.5385 63 E 3.9089 8.4239 118.0265 59.5562 29.7760 178.9391 64 E 4.0559 8.2594 118.6892 59.4960 29.4165 179.4207 65 I 3.8300 8.0710 120.2350 64.2811 37.0639 178.6212 66 S 4.2188 8.2736 115.2658 61.6005 62.8042 176.6129 67 Q 4.0967 8.1485 121.5278 58.5096 28.4157 178.5330 68 L 4.0299 8.1020 121.3254 58.3236 42.1602 179.0307 69 L 4.1248 8.3438 119.2110 57.8529 41.4893 178.9000 70 Y 4.0971 8.3747 119.6151 61.2636 38.5930 178.0644 71 H 3.9328 8.0465 115.5602 58.5429 28.7925 177.7420 72 V 3.7414 7.8398 119.6954 66.0657 31.4504 177.7586 73 Q 4.2470 8.0298 116.9191 58.1879 29.9434 178.6154 74 V 3.6742 7.3136 120.7740 62.9288 28.1881 175.9413 *77 V 3.9474 7.6832 122.0773 62.2974 33.4313 177.4086 78 A 4.0174 8.2559 121.2693 54.6151 18.2180 178.2296 79 R 4.3877 7.9706 111.8417 55.4494 30.6118 176.2957 80 G 3.9195 7.7725 105.5015 46.5707 0.0000 173.8068 81 I 4.2574 7.8229 119.7758 59.8465 38.6954 176.2866 82 S 4.9079 8.5799 119.6481 56.7133 66.4571 175.4930 83 L 3.4105 8.1047 122.0044 57.8136 41.2099 179.5664 84 D 4.4650 7.9527 118.4275 57.3239 40.5938 178.2460 85 D 4.3468 7.6045 118.2611 57.3824 41.1707 178.8858 86 V 3.7253 7.4494 118.0146 66.3213 31.4641 177.6400 87 Y 4.4672 8.3308 116.5804 61.1991 37.4325 178.5276 88 A 4.0178 8.1145 120.9479 55.4419 18.7846 178.9215 89 H 4.4558 8.1913 114.3877 58.1936 28.8027 177.2593 90 L 4.2705 7.5314 118.5484 56.0141 41.3986 177.1469 91 L 4.3103 7.6042 124.2376 54.7709 41.8841 176.1354 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 4 K 8.31 4.29 0.00 1.76 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 5 T 7.76 4.26 4.41 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 1.37 0.00 0.00 6 F 9.75 4.25 0.00 3.13 3.19 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 7 E 8.46 4.19 0.00 2.19 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 0.00 2.76 2.69 0.00 8 E 8.08 4.03 0.00 2.20 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 2.44 2.46 0.00 9 L 7.90 4.03 0.00 1.70 1.74 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.02 4.09 0.00 3.05 3.09 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 0.00 0.00 0.00 11 T 7.69 3.75 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 1.17 0.00 0.00 12 E 7.81 3.96 0.00 2.11 1.98 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 2.58 2.49 0.00 13 L 7.66 4.01 0.00 1.59 1.57 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.37 3.79 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 15 H 7.83 4.33 0.00 3.14 3.41 0.00 5.59 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 16 K 7.73 4.00 0.00 1.73 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 17 A 7.43 4.36 1.32 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 0.00 0.00 0.00 18 A 7.81 3.88 1.30 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 19 N 6.83 4.87 0.00 2.45 1.96 0.00 0.00 6.95 7.42 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 *24 T 8.22 4.32 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 1.21 0.00 0.00 25 S 7.99 4.26 0.00 3.85 3.91 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 26 R 8.62 4.18 0.00 1.70 1.73 0.00 3.15 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 27 T 8.44 4.21 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 1.23 0.00 0.00 28 A 7.60 3.91 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 29 E 8.48 4.60 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.24 0.00 30 L 7.67 3.96 0.00 1.70 1.73 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.79 3.59 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 0.89 0.00 0.00 32 D 7.46 4.44 0.00 2.75 2.80 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 33 K 7.86 4.13 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 G 8.33 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 35 V 8.45 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 36 H 8.34 3.97 0.00 3.30 3.31 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.01 4.03 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 38 I 7.77 3.89 1.97 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 1.46 1.00 0.90 0.00 0.00 39 G 8.73 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 0.00 0.00 0.00 40 K 7.93 3.92 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.60 7.81 41 K 7.63 3.87 0.00 1.82 1.49 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.54 7.81 42 V 7.81 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 43 V 7.92 3.68 2.21 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 1.01 0.00 0.00 0.96 0.00 0.00 44 E 8.52 4.10 0.00 2.24 2.25 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 2.44 2.35 0.00 45 E 8.62 4.04 0.00 2.08 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 0.00 2.53 2.55 0.00 46 A 8.21 4.04 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 47 A 7.59 4.15 1.44 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 0.00 0.00 48 E 8.01 4.11 0.00 2.19 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 0.00 2.38 2.50 0.00 49 V 8.27 3.87 2.34 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 1.05 0.00 0.00 1.07 0.00 0.00 50 W 8.28 4.58 0.00 3.45 3.23 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 0.00 *52 A 8.01 4.33 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 53 A 8.30 4.05 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 54 E 8.36 4.06 0.00 2.11 1.82 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 1.77 1.66 0.00 55 Y 7.96 4.50 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.62 0.00 2.14 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 2.34 2.42 0.00 57 G 8.19 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 0.00 0.00 0.00 58 K 8.49 3.99 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 59 D 8.08 4.28 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.13 4.02 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.05 3.99 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.42 3.91 0.00 2.07 2.12 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 2.33 2.36 0.00 64 E 8.26 4.06 0.00 2.23 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 2.59 2.55 0.00 65 I 8.07 3.83 2.10 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 1.62 0.88 0.96 0.00 0.00 66 S 8.27 4.22 0.00 4.13 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 0.00 67 Q 8.15 4.10 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 68 L 8.10 4.03 0.00 1.85 1.94 0.97 0.70 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 69 L 8.34 4.12 0.00 2.05 2.03 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.37 4.10 0.00 3.07 3.20 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 71 H 8.05 3.93 0.00 3.23 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.84 3.74 2.27 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 0.85 0.00 0.00 0.99 0.00 0.00 73 Q 8.03 4.25 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.13 0.00 0.00 0.00 0.00 0.00 2.13 2.46 0.00 74 V 7.31 3.67 1.98 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 0.98 0.00 0.00 0.24 0.00 0.00 *77 V 7.68 3.95 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 0.84 0.00 0.00 0.78 0.00 0.00 78 A 8.26 4.02 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 79 R 7.97 4.39 0.00 1.80 1.95 0.00 3.49 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 80 G 7.77 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 81 I 7.82 4.26 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 1.47 0.63 0.87 0.00 0.00 82 S 8.58 4.91 0.00 4.10 4.02 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 0.00 0.00 0.00 83 L 8.10 3.41 0.00 1.57 1.19 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.95 4.46 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 85 D 7.60 4.35 0.00 2.77 2.74 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 0.00 0.00 0.00 0.00 86 V 7.45 3.73 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 0.96 0.00 0.00 0.81 0.00 0.00 87 Y 8.33 4.47 0.00 3.05 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 88 A 8.11 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.19 4.46 0.00 3.40 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.53 4.27 0.00 1.86 1.75 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.60 4.31 0.00 1.63 1.53 0.91 0.75 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 * Residues marked with a * may have inaccurate shift predictions.