NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.6975 8.4444 117.8301 56.1554 29.7682 173.2785 *-1 H 4.4082 8.4704 125.8843 54.3922 28.2801 172.9525 0 H 4.5358 7.9077 122.5933 55.2678 27.1486 174.1669 0 E 4.1558 7.9077 124.5933 56.8678 28.0486 176.6669 3 R 4.0467 7.9497 118.0094 58.9433 30.2561 178.6497 4 K 3.9223 8.1425 117.7925 59.6600 31.9789 179.3100 5 K 4.0666 7.9986 117.9025 59.6041 32.0365 179.3730 6 L 4.2619 7.9499 118.7435 57.7375 41.5071 179.4502 7 I 3.9482 8.3904 120.2720 64.3904 37.0432 178.2945 8 A 4.0304 8.3244 121.7246 54.8912 18.0996 179.6697 9 K 3.9219 8.5534 118.4071 59.5387 32.2784 178.5270 10 F 4.7170 8.9321 121.4213 61.8902 39.3137 177.3130 11 V 3.1855 8.0511 117.7170 65.7821 31.2345 177.6286 12 E 3.8802 8.2151 119.0516 59.2626 29.4338 178.8531 13 I 3.4688 8.0779 120.0101 64.2675 37.1241 178.1183 14 A 4.1487 8.2582 121.8654 55.3288 17.9434 179.7403 15 S 4.3869 7.7256 111.6455 61.0400 62.6549 175.8579 16 E 4.1472 8.4872 120.0555 58.7042 29.4457 178.2884 17 K 4.2714 7.7438 116.0341 56.3764 32.1181 177.3955 *19 G 3.7724 7.7182 106.9688 44.8885 0.0000 172.5109 20 K 4.3113 8.2112 121.5862 54.0094 33.7609 174.3444 21 D 4.8814 8.6418 126.2356 53.0667 41.6592 175.2399 22 L 4.3281 8.4982 126.5840 54.1724 43.1900 177.0035 23 E 3.6557 7.8740 116.5088 55.8604 29.4507 174.5979 24 T 4.3588 7.9351 122.5052 61.8073 68.8016 173.1244 25 V 3.9032 7.9520 125.0588 61.8314 32.7588 174.7061 26 D 4.8297 8.6878 126.7905 52.3872 42.5130 176.7911 27 E 3.9235 8.9221 125.9354 59.6460 29.6054 178.8403 28 E 4.2292 9.2055 117.2508 57.7562 30.0831 177.0507 29 N 4.6539 7.9552 118.0996 53.2681 39.4446 174.8075 30 T 4.4424 8.9393 113.5505 61.4097 71.1538 176.1231 31 F 4.0609 8.9278 122.0388 60.3664 38.9253 178.0054 32 K 4.3003 8.5058 120.5783 59.0881 31.8984 178.5864 33 E 4.1205 8.2804 116.2949 59.0916 29.5697 178.1594 34 L 4.4812 7.7121 117.1742 54.8477 41.8080 177.2972 35 G 3.8861 8.2073 107.1987 46.0909 0.0000 173.1594 36 F 4.8272 9.0259 119.6502 55.7885 40.3947 176.0938 37 D 4.8930 8.7370 127.0088 52.2685 42.9511 177.1228 38 S 4.1419 8.4989 113.2195 61.9481 62.8997 176.3213 39 I 3.7818 7.7994 122.9587 64.1504 36.9066 177.9241 40 D 4.4746 8.7834 120.2739 57.2653 40.5805 178.8953 41 V 3.3215 7.9956 118.8056 65.9507 31.2579 178.0287 42 I 3.6305 7.3396 117.9301 64.5008 37.0305 177.8661 43 D 4.2348 7.8594 118.1764 57.2040 40.9995 177.9888 44 L 4.5537 8.4008 121.2822 58.4458 41.9946 180.1282 45 V 3.9339 7.8617 115.4599 63.5398 31.2884 177.5188 *47 F 4.9794 8.0189 117.3348 57.2400 41.0406 177.4366 48 F 4.2418 8.6938 119.1687 60.6347 38.6071 177.3694 49 E 4.1241 8.9481 118.6444 59.7714 29.4756 179.1019 50 D 4.3588 8.1197 117.3210 57.3236 41.2158 177.9480 51 E 3.9195 8.2261 118.2812 58.3280 29.4228 177.7610 52 F 4.6771 8.0180 113.9938 56.1441 40.1179 175.1004 53 A 3.8166 7.4356 121.4555 53.6745 16.1984 176.5283 54 L 4.8943 8.1099 119.3280 53.1997 45.1151 176.9842 55 R 4.7498 8.3497 118.0452 54.4969 32.9306 175.2407 56 I 4.5147 9.4045 124.4466 59.0815 39.3551 176.2687 57 E 4.1753 9.1698 125.9432 56.2071 31.3808 177.9495 58 D 4.3877 8.6151 121.7998 57.3771 40.7249 178.9263 59 E 3.9633 8.0590 117.0019 59.6108 29.8596 178.7099 60 E 4.0787 8.0780 119.0589 58.9368 29.5866 179.0345 61 I 3.6549 7.6624 119.9945 64.4428 37.0424 178.4972 62 S 4.2649 7.8614 112.7797 60.3093 62.8809 175.4621 63 K 4.4064 7.4030 120.0466 55.5094 32.5976 176.5600 64 I 3.9321 7.2038 121.7198 61.4117 37.6886 175.0238 65 R 4.5208 9.1539 122.3159 57.2005 32.6631 175.6926 66 K 4.8018 8.3850 116.6844 54.1150 34.8859 177.2312 67 V 2.7503 7.7395 121.8533 66.2676 31.1390 178.3069 68 K 3.7233 8.2353 119.2387 60.0480 31.7949 178.1741 69 D 4.2728 8.0505 118.8509 57.1416 40.7252 178.5066 70 L 3.8182 7.7619 120.4265 57.9623 42.1608 178.7533 71 I 3.4881 7.5421 119.7930 64.4405 37.0468 178.1576 72 D 4.2694 8.1954 119.7763 57.2864 40.5567 178.8570 73 I 3.6065 7.5531 120.2332 64.3050 37.0532 178.4615 74 V 3.4229 7.5733 118.8552 66.1249 31.2846 177.7513 75 I 3.5660 7.6151 119.4016 64.4295 37.0039 178.1680 76 K 3.8698 8.0165 119.9821 59.6289 32.0503 179.0251 77 K 4.0350 8.3194 118.9834 59.2815 31.6763 179.4830 78 L 4.0211 8.0059 119.0844 57.5933 41.5994 178.9386 79 E 4.0999 8.3334 118.0041 59.5292 29.5165 178.7769 80 E 4.2107 8.0626 119.4144 59.7687 30.9922 180.3851 81 I 4.2024 7.3912 120.5039 61.1966 31.6927 177.5213 82 D 4.3814 7.7038 124.5899 54.6616 40.9455 174.9623 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 H 8.44 4.70 0.00 3.05 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.47 4.41 0.00 3.20 2.99 0.00 7.29 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.91 4.54 0.00 3.22 3.25 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 E 7.91 4.16 0.00 1.99 2.05 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 2.31 2.24 0.00 3 R 7.95 4.05 0.00 1.88 2.15 0.00 3.13 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 4 K 8.14 3.92 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 5 K 8.00 4.07 0.00 2.01 1.95 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.57 7.81 6 L 7.95 4.26 0.00 1.71 1.76 0.78 0.70 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 7 I 8.39 3.95 1.95 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 1.55 0.82 1.03 0.00 0.00 8 A 8.32 4.03 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 9 K 8.55 3.92 0.00 2.22 2.34 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.64 1.33 7.81 10 F 8.93 4.72 0.00 3.42 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 11 V 8.05 3.19 2.15 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 0.86 0.00 0.00 0.83 0.00 0.00 12 E 8.22 3.88 0.00 2.07 2.14 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 2.22 2.42 0.00 13 I 8.08 3.47 1.94 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.82 0.00 0.00 14 A 8.26 4.15 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 15 S 7.73 4.39 0.00 3.90 3.97 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 0.00 0.00 0.00 16 E 8.49 4.15 0.00 1.97 1.87 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 2.27 2.28 0.00 17 K 7.74 4.27 0.00 1.12 1.04 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.97 0.40 7.81 *19 G 7.72 3.77 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 0.00 0.00 0.00 20 K 8.21 4.31 0.00 1.67 1.73 0.00 1.46 0.00 0.00 1.46 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 1.35 7.81 21 D 8.64 4.88 0.00 2.63 2.55 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 22 L 8.50 4.33 0.00 1.56 1.65 0.66 1.17 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 23 E 7.87 3.66 0.00 2.31 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 2.19 1.88 0.00 24 T 7.94 4.36 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 1.22 0.00 0.00 25 V 7.95 3.90 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 0.92 0.00 0.00 0.88 0.00 0.00 26 D 8.69 4.83 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.92 3.92 0.00 2.04 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 2.35 2.35 0.00 28 E 9.21 4.23 0.00 1.99 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 2.40 2.40 0.00 29 N 7.96 4.65 0.00 2.76 2.69 0.00 0.00 6.60 7.11 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 30 T 8.94 4.44 4.35 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 1.21 0.00 0.00 31 F 8.93 4.06 0.00 3.12 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 32 K 8.51 4.30 0.00 1.92 1.89 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.44 7.81 33 E 8.28 4.12 0.00 2.19 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 0.00 2.64 2.38 0.00 34 L 7.71 4.48 0.00 2.25 2.22 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.21 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.03 4.83 0.00 3.48 3.12 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 37 D 8.74 4.89 0.00 2.93 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 38 S 8.50 4.14 0.00 4.07 4.18 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 39 I 7.80 3.78 2.02 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 1.64 0.82 0.92 0.00 0.00 40 D 8.78 4.47 0.00 3.14 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 0.00 41 V 8.00 3.32 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 0.81 0.00 0.00 0.57 0.00 0.00 42 I 7.34 3.63 2.00 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 1.48 0.73 0.86 0.00 0.00 43 D 7.86 4.23 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.55 0.00 2.08 1.90 1.51 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.86 3.93 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 0.90 0.00 0.00 0.85 0.00 0.00 *47 F 8.02 4.98 0.00 3.36 2.90 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 48 F 8.69 4.24 0.00 3.35 3.28 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 49 E 8.95 4.12 0.00 2.03 2.17 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 2.41 2.68 0.00 50 D 8.12 4.36 0.00 2.84 2.85 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 0.00 0.00 0.00 51 E 8.23 3.92 0.00 1.83 1.12 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 2.29 2.13 0.00 52 F 8.02 4.68 0.00 3.29 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 53 A 7.44 3.82 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 54 L 8.11 4.89 0.00 1.73 1.63 0.98 0.74 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 55 R 8.35 4.75 0.00 2.02 1.80 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 56 I 9.40 4.51 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 1.28 0.62 0.93 0.00 0.00 57 E 9.17 4.18 0.00 1.94 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 2.57 2.48 0.00 58 D 8.62 4.39 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.96 0.00 2.36 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 0.00 2.28 1.97 0.00 60 E 8.08 4.08 0.00 2.13 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 2.37 2.38 0.00 61 I 7.66 3.65 1.99 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 0.76 0.85 0.00 0.00 62 S 7.86 4.26 0.00 4.04 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 63 K 7.40 4.41 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.60 7.81 64 I 7.20 3.93 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.87 0.00 0.00 65 R 9.15 4.52 0.00 2.04 1.92 0.00 3.17 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 66 K 8.38 4.80 0.00 1.81 1.73 0.00 1.67 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 67 V 7.74 2.75 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 0.74 0.00 0.00 0.30 0.00 0.00 68 K 8.24 3.72 0.00 1.90 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.63 7.81 69 D 8.05 4.27 0.00 2.93 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 70 L 7.76 3.82 0.00 1.67 1.69 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.54 3.49 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 0.85 0.00 0.00 72 D 8.20 4.27 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.61 1.95 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 1.35 0.66 0.84 0.00 0.00 74 V 7.57 3.42 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 0.74 0.00 0.00 0.56 0.00 0.00 75 I 7.62 3.57 1.92 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 1.46 0.29 0.86 0.00 0.00 76 K 8.02 3.87 0.00 1.90 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 77 K 8.32 4.04 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.61 7.81 78 L 8.01 4.02 0.00 1.68 1.69 0.63 1.03 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 79 E 8.33 4.10 0.00 2.03 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 2.33 2.46 0.00 80 E 8.06 4.21 0.00 2.11 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 2.34 2.43 0.00 81 I 7.39 4.20 1.87 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 1.41 0.62 0.91 0.00 0.00 82 D 7.70 4.38 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.