NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2633 8.3001 118.7933 54.2988 34.2276 175.4196 2 A 3.5265 7.9456 119.1431 52.8725 15.4689 176.0501 *3 H 4.6190 8.0533 119.9053 54.2006 31.3939 176.7892 4 K 4.6689 8.2181 130.0661 53.9040 30.4597 179.5788 5 K 5.2312 7.9648 118.7877 56.7633 32.9120 172.3005 6 G 4.0122 8.0172 115.6200 44.9630 0.0000 171.4334 7 L 4.7706 8.2244 119.7427 52.2215 44.3713 178.7732 8 G 3.9556 8.4814 115.8315 44.3958 0.0000 174.0210 9 S 4.5191 8.0842 118.5706 58.5871 62.5046 174.4417 10 T 3.9799 7.5014 118.8717 65.0854 67.7868 174.3651 11 R 4.3763 8.5332 126.2176 56.4640 31.0046 176.0334 12 N 4.8160 7.9408 113.1828 53.2907 38.9618 175.2453 13 G 3.6620 7.7242 107.6412 45.9595 0.0000 171.7703 14 R 4.2196 7.9363 118.0681 54.4272 31.1409 173.5613 15 D 4.4615 7.8963 122.1090 53.4743 43.7979 175.1545 16 S 4.4530 8.5883 121.2534 58.2742 63.7819 173.2068 17 Q 4.5030 8.2069 119.1262 54.4832 29.9956 175.0478 18 A 3.7443 7.9432 122.4875 51.8038 18.6938 177.2844 19 K 4.2392 8.7407 121.8175 55.8089 33.1985 176.6199 20 R 3.6617 7.8186 117.3096 57.1162 27.4645 175.1484 21 L 4.2172 7.4116 116.4679 53.7419 43.3417 175.4337 22 G 3.7585 8.8327 105.6228 43.8710 0.0000 173.5890 23 V 3.7964 8.0521 118.6399 62.8525 31.8564 175.5618 24 K 4.3397 8.9111 124.7884 56.1215 34.4380 176.8587 25 R 4.5120 7.5085 116.0742 54.2924 33.3503 174.2788 26 Y 4.8213 8.2869 118.7138 55.5293 40.5093 174.5961 27 E 4.3561 8.6954 121.9513 58.4494 29.9476 177.6268 28 G 3.9997 9.6558 114.1011 45.4787 0.0000 172.7000 29 Q 4.6128 7.8886 119.4457 54.0270 30.6272 175.4719 30 V 4.0445 8.4524 124.1993 63.2168 32.4576 175.3019 31 V 4.6683 8.5850 119.4749 59.7769 36.5190 174.4440 32 R 4.9317 8.3395 120.0621 54.1991 32.4734 176.1664 33 A 4.4208 8.3311 125.6964 53.3498 18.7387 177.6803 34 G 4.1712 8.7965 111.2373 45.2471 0.0000 174.0034 35 N 4.3246 8.5828 117.7986 54.1592 39.4677 174.2572 36 I 4.4404 8.3617 123.3287 60.6371 38.9913 174.6796 37 L 4.6119 9.2425 127.4746 55.6837 44.7838 176.8035 38 V 4.7074 7.5231 116.9508 61.1249 35.4571 173.9855 39 R 5.1139 8.8874 126.6538 54.4851 32.4457 175.0311 40 Q 4.4413 8.4749 120.1102 55.2536 31.0972 173.6918 41 R 3.9484 9.0551 119.1196 57.3250 31.6397 180.9019 42 G 3.3689 7.1135 110.9526 46.0371 0.0000 173.9922 43 T 4.5742 8.1076 119.9710 62.4559 67.3496 177.2212 44 R 3.5565 6.8694 119.9943 55.7060 30.6633 176.2390 45 F 4.7839 8.4530 115.7334 55.5845 42.6130 174.7367 46 K 4.5639 8.5406 123.3485 53.9827 34.3682 174.0594 47 P 4.5057 0.0000 0.0000 62.9046 31.9167 176.1152 48 G 4.3119 8.5103 112.8524 44.8024 0.0000 172.4928 49 K 3.7956 9.1838 120.0631 57.5435 33.4957 177.0666 50 N 4.2297 8.9654 122.8124 53.7714 35.7806 174.8113 51 V 4.2582 7.4135 117.6619 61.6448 34.2748 174.7087 52 G 3.2680 7.8280 116.1974 45.6829 0.0000 171.1761 53 M 5.5440 8.1607 118.6931 54.1690 35.5159 174.5478 54 G 4.0424 9.1181 113.5112 44.4310 0.0000 174.3790 55 R 3.9476 8.6327 118.3774 59.0886 29.9525 177.4977 56 D 4.8462 7.9855 113.7934 53.0125 39.5638 176.7425 57 F 3.7786 8.4070 116.3907 58.4460 37.0975 174.9497 58 T 4.3486 8.3436 119.3602 63.8033 69.2061 173.7750 59 L 5.6453 8.9069 126.5344 53.3176 44.0488 175.6508 60 F 5.3306 7.8982 114.7379 55.1907 41.5797 173.3746 61 A 4.3849 9.0631 122.6723 52.8309 18.8806 178.0269 62 L 4.6998 8.3741 118.1437 54.8681 44.2642 176.6804 63 V 4.6271 7.4291 110.5734 59.4064 36.6466 174.3150 64 D 4.7417 8.4851 121.1514 54.5493 42.3274 175.6433 65 G 4.3964 8.1321 105.6914 43.6315 0.0000 173.2500 66 V 4.1872 7.9966 120.3383 62.8027 32.9810 174.8282 67 V 4.6940 8.3651 126.5524 62.1260 32.9131 174.5582 68 E 5.2728 9.3017 125.5543 54.6393 32.8207 174.6483 69 F 5.3944 9.0914 119.3635 56.0093 41.7130 174.8842 70 Q 4.6838 9.5857 122.7988 54.6476 32.4629 173.4206 71 D 5.1426 8.6171 124.8400 52.6752 44.3360 175.9510 72 R 4.5331 8.7140 116.2205 56.5882 34.1807 179.9066 73 G 3.8477 8.1613 110.2620 46.3666 0.0000 177.8346 74 R 4.0199 9.2309 124.9175 58.7203 30.4926 177.6536 75 L 4.1127 8.5505 118.3822 57.6548 42.1026 175.8998 76 G 3.7721 7.7958 103.1393 44.0140 0.0000 172.2317 77 R 5.0438 8.1503 117.1973 55.3074 32.2598 175.6286 78 Y 5.0509 10.0262 120.3447 56.2181 42.2075 174.4869 79 V 4.3964 8.3030 122.7514 61.4894 34.0446 174.2423 80 H 5.3322 9.4778 123.5704 53.9693 33.5888 172.5048 81 V 4.9076 8.6863 120.0155 61.1255 33.4191 175.0159 82 R 4.3946 8.7747 126.2517 54.7439 30.8759 176.1289 83 P 4.8496 0.0000 0.0000 62.1504 31.9989 174.7741 84 L 4.6243 8.0138 116.0272 55.1318 43.2708 175.2663 85 A 4.2386 8.2449 121.0631 52.5020 19.2950 176.0483 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 M 8.30 4.26 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.95 3.53 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 *3 H 8.05 4.62 0.00 2.94 2.86 0.00 7.19 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.22 4.67 0.00 1.76 1.31 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.99 7.81 5 K 7.96 5.23 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 0.76 7.81 6 G 8.02 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.22 4.77 0.00 1.62 1.40 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.48 3.96 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 0.00 0.00 0.00 9 S 8.08 4.52 0.00 3.64 3.74 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 10 T 7.50 3.98 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 1.24 0.00 0.00 11 R 8.53 4.38 0.00 1.75 1.92 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 12 N 7.94 4.82 0.00 2.74 2.81 0.00 0.00 6.92 7.65 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 13 G 7.72 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.22 0.00 1.86 2.10 0.00 3.28 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 15 D 7.90 4.46 0.00 2.59 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 16 S 8.59 4.45 0.00 3.90 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 17 Q 8.21 4.50 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 18 A 7.94 3.74 1.27 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 19 K 8.74 4.24 0.00 1.76 1.86 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.39 7.81 20 R 7.82 3.66 0.00 1.89 1.94 0.00 3.37 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 1.57 0.00 21 L 7.41 4.22 0.00 1.65 1.64 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.83 3.76 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 0.00 0.00 0.00 23 V 8.05 3.80 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 0.49 0.00 0.00 0.72 0.00 0.00 24 K 8.91 4.34 0.00 1.82 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.45 7.81 25 R 7.51 4.51 0.00 1.66 1.78 0.00 3.15 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 26 Y 8.29 4.82 0.00 3.26 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 27 E 8.70 4.36 0.00 2.21 1.95 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 2.41 2.69 0.00 28 G 9.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 4.61 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 30 V 8.45 4.04 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.58 4.67 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 0.78 0.00 0.00 0.98 0.00 0.00 32 R 8.34 4.93 0.00 1.91 1.84 0.00 3.15 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 33 A 8.33 4.42 1.25 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 0.00 0.00 0.00 34 G 8.80 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 0.00 0.00 0.00 0.00 35 N 8.58 4.32 0.00 2.81 2.80 0.00 0.00 6.43 7.25 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 36 I 8.36 4.44 1.88 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 1.05 0.88 0.00 0.00 37 L 9.24 4.61 0.00 1.61 1.52 0.83 0.65 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 38 V 7.52 4.71 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 0.90 0.00 0.00 0.57 0.00 0.00 39 R 8.89 5.11 0.00 1.79 1.80 0.00 3.36 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 40 Q 8.47 4.44 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.11 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 41 R 9.06 3.95 0.00 1.72 1.80 0.00 3.25 0.00 0.00 3.23 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 42 G 7.11 3.37 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 0.00 43 T 8.11 4.57 4.48 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 1.21 0.00 0.00 44 R 6.87 3.56 0.00 2.22 1.98 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 45 F 8.45 4.78 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 46 K 8.54 4.56 0.00 0.79 1.38 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 0.96 7.81 47 P 0.00 4.51 0.00 2.11 1.91 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 48 G 8.51 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.18 3.80 0.00 1.79 1.82 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.56 7.81 50 N 8.97 4.23 0.00 3.01 2.85 0.00 0.00 6.51 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 51 V 7.41 4.26 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 0.58 0.00 0.00 0.89 0.00 0.00 52 G 7.83 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 0.00 0.00 0.00 53 M 8.16 5.54 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 54 G 9.12 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.63 3.95 0.00 1.79 2.02 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 56 D 7.99 4.85 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.78 0.00 3.19 3.40 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 58 T 8.34 4.35 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 1.29 0.00 0.00 59 L 8.91 5.65 0.00 1.58 1.48 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.90 5.33 0.00 3.24 3.01 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 0.00 0.00 0.00 61 A 9.06 4.38 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.37 4.70 0.00 1.51 1.65 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.43 4.63 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 0.93 0.00 0.00 0.92 0.00 0.00 64 D 8.49 4.74 0.00 2.69 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 G 8.13 4.40 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 0.00 66 V 8.00 4.19 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 0.94 0.00 0.00 0.96 0.00 0.00 67 V 8.37 4.69 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 0.96 0.00 0.00 0.99 0.00 0.00 68 E 9.30 5.27 0.00 2.10 2.07 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 2.22 2.32 0.00 69 F 9.09 5.39 0.00 3.17 3.15 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 70 Q 9.59 4.68 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 71 D 8.62 5.14 0.00 2.77 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 72 R 8.71 4.53 0.00 1.94 1.82 0.00 3.31 0.00 0.00 2.78 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 73 G 8.16 3.85 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 0.00 0.00 0.00 74 R 9.23 4.02 0.00 1.82 2.04 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 75 L 8.55 4.11 0.00 1.84 1.82 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.80 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 77 R 8.15 5.04 0.00 1.32 1.83 0.00 2.82 0.00 0.00 2.75 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.43 0.00 78 Y 10.03 5.05 0.00 2.79 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 79 V 8.30 4.40 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 0.63 0.00 0.00 -0.19 0.00 0.00 80 H 9.48 5.33 0.00 3.01 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.69 4.91 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 0.84 0.00 0.00 0.95 0.00 0.00 82 R 8.77 4.39 0.00 1.95 2.05 0.00 2.84 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 83 P 0.00 4.85 0.00 2.20 2.15 0.00 3.37 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 84 L 8.01 4.62 0.00 1.71 1.64 0.98 0.33 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 85 A 8.24 4.24 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.