NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6672 8.4244 119.2054 53.5312 40.2087 174.1761 4 L 4.2339 8.2114 124.9641 54.9866 42.8038 176.7847 5 S 4.3712 9.4627 114.6792 59.9582 63.2693 175.3720 6 D 4.4013 8.0508 123.4835 57.4419 40.6220 178.1495 7 I 3.8356 7.6368 113.4153 63.3239 37.6599 178.5455 8 I 3.6763 7.5133 121.7248 64.4116 37.1609 177.6181 9 E 4.4466 8.1650 121.7170 58.8931 29.0995 179.1832 10 K 4.1108 7.3793 122.7461 59.2283 32.5554 183.3591 11 E 4.4586 8.1059 118.6513 57.3341 29.7791 176.9009 12 T 4.4152 8.2825 106.4849 60.4955 70.6341 174.1572 13 G 4.2721 8.2499 108.8605 46.4613 0.0000 172.7665 14 K 4.3793 8.0647 121.6045 54.6337 34.6490 176.3079 15 Q 4.3567 8.5352 124.6464 54.0484 27.1951 172.7349 16 L 4.8214 7.9605 122.8235 52.0821 45.7558 176.3939 17 V 4.2495 8.1757 121.7304 61.0274 32.7685 175.6895 18 I 4.0138 8.3152 128.3279 61.6641 37.6655 175.4901 19 Q 4.7571 8.4747 122.5100 56.7205 31.3034 175.5724 20 E 4.7436 7.8619 114.4755 55.3364 33.3581 175.1007 21 S 4.6735 8.4203 116.2393 57.3183 65.8679 173.0636 22 I 4.2707 8.5568 129.3030 60.2037 38.6131 175.9390 23 L 4.8649 8.4754 130.1343 54.9016 41.5025 172.5527 24 M 5.0084 9.5048 124.2069 52.3908 36.7811 175.4625 25 L 4.9265 8.6677 119.7881 52.6501 43.1754 176.6390 26 P 4.2642 0.0000 0.0000 65.4501 30.6021 178.2705 27 E 3.9537 8.0455 119.4488 59.2655 29.4091 178.2743 28 E 4.1033 7.9056 117.4758 59.0187 29.9461 178.9047 29 V 3.7775 7.6702 118.0120 65.6268 31.5881 177.4385 30 E 4.0545 8.2846 121.4689 60.3266 29.1928 179.2301 31 E 3.9363 7.0723 113.4968 60.9853 29.8314 180.4869 32 V 4.4322 7.7804 116.2399 62.9334 32.7748 176.7416 33 I 4.3851 8.1019 117.5933 60.7814 38.7271 176.4980 34 G 3.9370 9.2683 106.4814 45.1375 0.0000 172.9580 35 N 4.7487 7.7232 115.7022 50.8961 40.8929 174.1903 36 K 4.0848 8.7575 125.8435 55.3640 32.2225 174.9353 37 P 4.6970 0.0000 0.0000 62.6600 31.6562 175.9738 38 E 3.8690 8.1219 115.5663 57.0396 29.6113 178.5052 39 S 4.5856 7.6481 115.3695 56.5657 65.0744 173.2957 40 D 4.5922 8.2920 120.6226 54.9266 41.6940 176.0725 41 I 4.6597 8.6615 121.5303 59.5130 41.1901 174.4450 42 L 4.8248 8.4625 125.3564 53.5643 43.5694 176.2034 43 V 4.2286 9.2475 126.5266 62.0184 31.7052 173.5658 44 H 4.9668 9.2948 125.2001 55.5631 30.2055 174.4280 45 T 5.1809 8.9000 119.8709 61.6931 71.6580 173.0851 46 A 5.1386 9.4215 127.5500 50.1830 23.0061 173.7790 47 Y 4.9222 8.5971 120.0236 55.9071 41.6406 175.0010 48 D 4.2591 7.5263 125.9953 52.3938 41.5948 175.0690 49 E 4.1634 7.9725 129.3606 52.9926 27.9780 174.7025 50 S 4.7657 7.0897 121.3676 58.0092 65.6995 178.7347 51 T 4.1855 7.7690 109.7446 60.4595 70.5757 173.4645 52 D 4.4170 7.8702 121.9226 55.6044 39.7708 173.5983 53 E 4.9186 7.2538 116.6646 55.1367 35.2746 177.5262 54 N 4.8676 9.2087 121.9250 52.0102 39.8195 174.5237 55 V 4.4684 8.5280 125.8277 62.3401 33.0634 174.6607 56 M 5.3868 9.4583 130.3535 54.0746 35.6937 175.1732 57 L 5.2003 9.1710 125.4784 53.1961 44.4828 172.9112 58 L 5.3082 9.0069 125.5102 52.6960 43.9062 176.1376 59 T 5.4313 8.6483 113.1606 59.5683 72.9622 173.1897 60 S 4.5523 8.4394 116.2672 57.7006 64.2457 173.4750 61 D 4.2412 9.1252 120.1687 55.2879 41.6977 177.4696 62 A 3.7087 9.1985 122.2933 54.3162 19.4865 177.2429 63 P 4.2077 0.0000 0.0000 65.8472 31.3398 177.5686 64 E 4.4165 7.5321 121.5802 54.2328 29.3766 178.1623 *65 Y 4.3327 8.2652 127.3059 55.4027 35.5943 171.2604 66 K 4.7632 8.4116 128.1180 52.0119 35.0975 173.8631 67 P 4.6690 0.0000 0.0000 62.2922 31.8601 175.4189 68 W 5.2087 8.9046 129.6735 58.6312 35.1834 174.1871 69 A 5.0328 8.4814 119.2541 50.4729 22.9840 174.4216 70 L 5.0791 9.0735 121.1053 53.3606 45.4899 175.3325 71 V 4.7413 9.2122 126.4455 61.1867 34.6564 174.2907 72 I 4.7810 8.1515 128.4541 59.6140 38.7960 174.3383 73 Q 4.8171 8.8773 129.5389 55.5936 30.7724 174.4335 74 D 5.3937 8.0899 124.4455 51.0727 42.5773 176.8002 75 S 4.2360 8.8917 112.2937 61.0458 63.0108 175.3925 76 N 4.4755 7.8482 117.7673 56.8467 38.6618 175.3802 77 G 3.7287 8.5908 108.2298 46.1672 0.0000 174.9818 78 E 3.9995 8.4310 117.1688 56.5440 30.1104 180.2114 79 N 5.0298 8.7410 123.3137 51.5374 40.1530 176.9293 80 K 4.4221 8.5041 128.9813 54.1014 30.5011 172.2478 81 I 4.2089 7.6865 125.2384 60.7354 38.6012 175.5604 82 K 4.5259 9.0417 129.7251 55.3283 35.1339 175.9450 83 M 4.3155 8.6410 127.4528 54.9479 32.4523 172.8742 84 L 4.3547 8.1486 120.9777 54.6063 42.3546 176.5397 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 3 N 8.42 4.67 0.00 2.70 3.02 0.00 0.00 6.87 6.89 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 4 L 8.21 4.23 0.00 1.82 1.62 0.88 0.45 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 5 S 9.46 4.37 0.00 4.17 4.11 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 0.00 0.00 0.00 6 D 8.05 4.40 0.00 2.85 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 7 I 7.64 3.84 1.87 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 1.52 0.75 0.94 0.00 0.00 8 I 7.51 3.68 2.06 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 1.53 0.60 0.91 0.00 0.00 9 E 8.17 4.45 0.00 1.99 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 2.30 2.45 0.00 10 K 7.38 4.11 0.00 1.86 1.69 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.30 7.81 11 E 8.11 4.46 0.00 2.12 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 0.00 2.28 2.34 0.00 12 T 8.28 4.42 4.23 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 1.21 0.00 0.00 13 G 8.25 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 14 K 8.06 4.38 0.00 1.64 1.63 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 Q 8.54 4.36 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.50 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 16 L 7.96 4.82 0.00 1.55 1.53 0.88 0.93 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 17 V 8.18 4.25 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 0.83 0.00 0.00 0.94 0.00 0.00 18 I 8.32 4.01 1.91 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 1.46 0.68 0.97 0.00 0.00 19 Q 8.47 4.76 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 20 E 7.86 4.74 0.00 1.98 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 0.00 2.27 2.36 0.00 21 S 8.42 4.67 0.00 3.61 3.48 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 22 I 8.56 4.27 1.85 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 1.13 1.28 0.89 0.00 0.00 23 L 8.48 4.86 0.00 1.43 1.47 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 M 9.50 5.01 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 25 L 8.67 4.93 0.00 1.69 1.54 0.90 0.95 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 26 P 0.00 4.26 0.00 2.21 2.28 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 27 E 8.05 3.95 0.00 2.04 1.96 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 2.37 2.39 0.00 28 E 7.91 4.10 0.00 2.09 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 2.30 2.34 0.00 29 V 7.67 3.78 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 1.04 0.00 0.00 0.86 0.00 0.00 30 E 8.28 4.05 0.00 2.27 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 2.35 2.46 0.00 31 E 7.07 3.94 0.00 2.15 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 2.28 2.24 0.00 32 V 7.78 4.43 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 1.05 0.00 0.00 1.00 0.00 0.00 33 I 8.10 4.39 2.06 0.00 0.00 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 1.65 0.86 0.94 0.00 0.00 34 G 9.27 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.72 4.75 0.00 2.68 2.82 0.00 0.00 7.01 7.61 0.00 0.00 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 K 8.76 4.08 0.00 1.97 1.80 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 37 P 0.00 4.70 0.00 1.61 0.49 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.21 0.00 38 E 8.12 3.87 0.00 2.01 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 39 S 7.65 4.59 0.00 3.77 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 40 D 8.29 4.59 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 4.66 1.60 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.75 0.85 0.00 0.00 42 L 8.46 4.82 0.00 1.63 1.42 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.25 4.23 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 0.98 0.00 0.00 0.99 0.00 0.00 44 H 9.29 4.97 0.00 3.33 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.90 5.18 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 1.26 0.00 0.00 46 A 9.42 5.14 1.28 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 0.00 0.00 47 Y 8.60 4.92 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 48 D 7.53 4.26 0.00 2.72 2.29 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 0.00 49 E 7.97 4.16 0.00 2.04 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 2.40 2.40 0.00 50 S 7.09 4.77 0.00 3.93 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 51 T 7.77 4.19 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 1.26 0.00 0.00 52 D 7.87 4.42 0.00 2.94 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 53 E 7.25 4.92 0.00 1.63 1.71 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 0.00 2.20 1.89 0.00 54 N 9.21 4.87 0.00 2.69 2.88 0.00 0.00 6.50 7.48 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 55 V 8.53 4.47 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 0.86 0.00 0.00 0.92 0.00 0.00 56 M 9.46 5.39 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 57 L 9.17 5.20 0.00 1.26 1.51 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.01 5.31 0.00 1.97 1.75 1.07 0.60 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 59 T 8.65 5.43 4.44 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 1.20 0.00 0.00 60 S 8.44 4.55 0.00 3.92 3.90 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 61 D 9.13 4.24 0.00 2.71 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 62 A 9.20 3.71 1.23 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 0.00 0.00 63 P 0.00 4.21 0.00 2.19 2.21 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 64 E 7.53 4.42 0.00 2.07 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 2.17 2.10 0.00 *65 Y 8.27 4.33 0.00 2.33 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 0.00 0.00 0.00 0.00 66 K 8.41 4.76 0.00 1.38 1.67 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 67 P 0.00 4.67 0.00 1.96 2.05 0.00 3.64 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 2.04 2.11 0.00 68 W 8.90 5.21 0.00 3.35 3.34 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 69 A 8.48 5.03 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 70 L 9.07 5.08 0.00 1.66 1.47 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.21 4.74 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 1.01 0.00 0.00 0.99 0.00 0.00 72 I 8.15 4.78 1.88 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 1.12 0.66 0.92 0.00 0.00 73 Q 8.88 4.82 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 74 D 8.09 5.39 0.00 2.83 2.78 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 75 S 8.89 4.24 0.00 4.02 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 0.00 76 N 7.85 4.48 0.00 2.88 2.91 0.00 0.00 7.09 7.53 0.00 0.00 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 G 8.59 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 0.00 0.00 0.00 78 E 8.43 4.00 0.00 1.90 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 2.32 1.92 0.00 79 N 8.74 5.03 0.00 2.61 2.79 0.00 0.00 6.89 7.61 0.00 0.00 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 K 8.50 4.42 0.00 1.46 1.71 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.28 7.81 81 I 7.69 4.21 1.86 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 1.25 0.96 0.89 0.00 0.00 82 K 9.04 4.53 0.00 1.75 1.66 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.32 7.81 83 M 8.64 4.32 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.14 0.00 84 L 8.15 4.35 0.00 1.42 1.49 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.