NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6228 8.1476 118.3377 55.4727 34.3554 173.7065 2 V 3.9751 8.3831 118.0131 60.9965 33.3361 174.5220 3 K 5.0074 8.9986 125.3420 54.5316 36.3651 175.7050 4 I 5.6168 8.2791 120.1270 59.8696 41.2946 175.0096 5 R 4.6358 8.2552 122.1681 55.6575 33.0442 173.1080 6 L 4.9736 8.4541 118.2695 53.6763 43.5135 177.1583 7 A 4.4831 8.7639 125.1759 49.5829 19.6665 175.6991 8 R 3.2542 8.0769 120.6283 57.8950 30.6495 176.0175 9 F 4.4984 7.9411 120.5387 57.9379 45.0982 173.6243 10 G 3.7672 8.8850 111.6052 46.8278 0.0000 172.0723 11 S 4.5941 8.0460 115.8174 56.5079 64.9827 173.0451 12 K 4.0851 8.3071 122.1805 58.2681 32.2153 176.0116 13 H 4.1682 8.8227 120.1998 56.5972 26.6985 174.2417 14 N 5.1271 7.8292 116.5637 52.0253 39.1243 172.9364 15 P 4.4203 0.0000 0.0000 63.5063 32.5590 177.3841 16 H 4.5447 8.3588 121.0304 55.3877 32.1686 172.8536 17 Y 5.0990 8.9143 122.9693 57.3922 40.5078 175.6074 18 R 5.1061 8.9786 117.8677 55.0892 32.5386 173.6742 19 I 3.9690 8.1697 122.5743 61.6614 38.2469 175.0511 20 V 4.6275 8.7365 125.4292 60.3295 35.4899 173.3339 21 V 4.2098 7.7809 121.5681 61.1625 32.7677 174.0502 22 T 4.4826 8.8068 122.7146 61.1903 70.9886 173.2078 23 D 4.5782 8.7224 111.5645 53.5559 41.0501 179.3191 24 A 3.1879 8.0502 122.1132 52.8098 21.3896 178.8905 25 R 3.8869 7.9831 115.1193 57.2743 30.8490 177.3105 26 R 4.2889 8.1849 118.2879 55.2572 31.1445 176.1240 27 K 4.2792 8.3363 117.9903 56.0552 33.1480 176.8987 28 R 3.5713 7.8032 117.0933 60.6018 30.6396 175.9752 29 D 4.7169 7.7853 118.2430 54.7201 41.5042 177.1194 30 G 3.9698 7.8028 108.2591 43.5298 0.0000 173.9149 31 K 3.7744 8.1480 120.4680 56.2199 33.2928 175.4592 32 Y 4.8180 7.5071 120.6485 56.2720 39.8268 174.1004 33 I 4.4141 8.4481 117.6415 61.6226 40.1684 175.9681 34 E 5.1336 7.1907 123.6048 55.2132 32.6547 176.0513 35 K 3.9108 8.3631 129.4237 56.5391 32.6530 176.2665 36 I 4.5651 8.4668 117.7307 60.8942 40.6073 174.8535 37 G 4.6582 8.7059 109.0176 44.7767 0.0000 171.1565 38 Y 5.2664 8.3509 117.9819 55.1851 41.6203 173.7510 39 Y 5.1671 9.0889 123.6166 55.9191 42.0507 173.2459 40 D 4.5932 8.4612 127.1397 51.2400 43.1211 174.5274 41 P 4.9860 0.0000 0.0000 62.6339 30.8861 176.9073 42 R 4.3951 8.0846 114.7921 55.2690 31.8041 175.5966 43 K 4.3020 7.1448 115.7440 57.4305 30.4030 174.9641 44 T 4.3501 7.3296 104.9837 60.0377 68.9334 173.8126 45 T 4.4987 7.7091 119.5064 61.6416 69.1253 169.9700 46 P 4.6033 0.0000 0.0000 64.8030 31.7681 175.8510 47 D 4.7096 7.6663 120.0837 54.5175 40.9540 176.5795 48 W 4.8733 7.4786 114.1342 56.1430 29.9714 175.9224 49 L 4.4658 6.8080 117.5943 54.8136 43.1094 173.0386 50 K 4.5044 7.1521 127.3397 54.3820 35.7219 175.2533 51 V 4.2187 7.8869 124.4099 60.3930 34.5205 174.7875 52 D 4.5119 8.7640 126.9276 53.9729 40.6442 176.7641 53 V 3.5778 8.1143 126.9172 65.7812 31.6245 176.9797 54 E 4.0236 8.2837 116.8131 59.8596 29.4899 179.5218 55 R 4.0643 8.5219 116.9715 59.6245 30.2442 179.2700 56 A 3.9826 7.7717 121.0777 55.2712 18.8444 179.6219 57 R 3.8033 7.8294 113.8244 59.7352 30.0594 178.1698 58 Y 4.8654 7.7903 120.2019 60.2121 38.4593 178.7190 59 W 4.2300 8.1952 117.3428 59.2625 29.5204 178.1402 60 L 4.2426 7.7365 119.5133 57.5117 41.1787 179.2285 61 S 4.0857 8.8859 115.2303 61.1287 62.6400 175.9055 62 V 3.6384 7.4977 114.4724 60.9321 31.6391 174.3104 63 G 3.7946 7.9258 114.1314 45.9864 0.0000 174.8163 64 A 4.8778 7.9861 127.2845 50.2822 20.0700 173.6674 65 Q 4.0147 8.2698 118.1266 55.5214 29.4753 175.8127 66 P 4.7568 0.0000 0.0000 62.0984 33.6811 175.6026 67 T 4.4451 7.6433 114.0460 62.6340 69.0060 174.2780 68 D 4.1957 8.0301 119.9429 58.6454 41.2733 178.5837 69 T 3.7234 7.9711 119.8911 64.8254 67.9313 175.3323 70 A 3.9311 8.0120 124.1509 52.9946 17.8110 179.8890 71 R 3.6708 7.8941 116.4455 58.0298 31.5936 177.5146 72 R 3.8937 7.7391 118.5560 59.9213 29.7459 178.4096 73 L 3.7931 8.8442 119.1644 57.0337 41.5305 178.7326 74 L 4.2788 7.6485 117.5503 55.6973 41.9938 178.8106 75 R 4.0465 8.6298 120.5323 59.4661 29.9620 177.5661 76 Q 4.4436 8.4597 115.3843 56.5305 28.9404 175.6413 77 A 4.5011 7.1441 119.3002 50.7388 20.5164 176.7826 78 G 3.9816 8.3580 103.4209 46.0029 0.0000 172.7963 79 V 4.0955 8.3191 121.7808 63.5748 33.4486 176.2303 80 F 4.7919 8.0768 116.9368 57.3115 38.8619 174.7263 81 R 4.6688 7.8934 120.9320 54.6471 31.5698 175.5683 82 Q 4.3177 8.6899 121.8231 55.8361 30.3008 176.0059 83 E 4.0290 8.3049 121.0201 56.4254 27.7895 174.0055 *84 A 4.1104 7.7881 123.3779 52.3936 18.9361 176.1489 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 8.15 4.62 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 V 8.38 3.98 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 0.90 0.00 0.00 0.95 0.00 0.00 3 K 9.00 5.01 0.00 1.78 1.75 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.39 7.81 4 I 8.28 5.62 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.52 0.93 0.00 0.00 5 R 8.26 4.64 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 6 L 8.45 4.97 0.00 1.46 1.78 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.76 4.48 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 8 R 8.08 3.25 0.00 1.41 1.49 0.00 3.09 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.89 0.00 9 F 7.94 4.50 0.00 3.34 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 10 G 8.88 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 11 S 8.05 4.59 0.00 3.89 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 12 K 8.31 4.09 0.00 1.68 1.69 0.00 1.99 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 1.36 7.81 13 H 8.82 4.17 0.00 3.36 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.83 5.13 0.00 2.66 2.80 0.00 0.00 7.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.42 0.00 1.95 1.78 0.00 3.75 0.00 0.00 3.64 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 16 H 8.36 4.54 0.00 3.14 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.91 5.10 0.00 3.16 3.13 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 0.00 0.00 0.00 18 R 8.98 5.11 0.00 2.05 2.07 0.00 3.43 0.00 0.00 3.34 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 19 I 8.17 3.97 1.98 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 1.40 0.99 0.90 0.00 0.00 20 V 8.74 4.63 1.84 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 0.97 0.00 0.00 0.16 0.00 0.00 21 V 7.78 4.21 1.26 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 0.12 0.00 0.00 -0.28 0.00 0.00 22 T 8.81 4.48 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 1.25 0.00 0.00 23 D 8.72 4.58 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 3.19 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 25 R 7.98 3.89 0.00 1.82 2.02 0.00 3.22 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 1.65 1.69 0.00 26 R 8.18 4.29 0.00 1.77 1.90 0.00 3.57 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 27 K 8.34 4.28 0.00 1.94 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.42 7.81 28 R 7.80 3.57 0.00 1.79 1.89 0.00 3.26 0.00 0.00 3.25 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 29 D 7.79 4.72 0.00 2.72 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 30 G 7.80 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 0.00 0.00 0.00 31 K 8.15 3.77 0.00 1.64 1.72 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 32 Y 7.51 4.82 0.00 3.17 2.89 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 33 I 8.45 4.41 1.40 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 1.12 0.61 0.92 0.00 0.00 34 E 7.19 5.13 0.00 2.08 1.69 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 2.04 2.08 0.00 35 K 8.36 3.91 0.00 1.66 1.64 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.48 7.81 36 I 8.47 4.57 1.90 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 1.37 0.70 0.90 0.00 0.00 37 G 8.71 4.66 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 38 Y 8.35 5.27 0.00 3.06 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 39 Y 9.09 5.17 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.59 0.00 2.84 2.66 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 41 P 0.00 4.99 0.00 2.20 2.11 0.00 3.19 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 42 R 8.08 4.40 0.00 1.87 1.84 0.00 3.25 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 43 K 7.14 4.30 0.00 1.65 1.74 0.00 1.11 0.00 0.00 1.44 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.21 7.81 44 T 7.33 4.35 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 1.29 0.00 0.00 45 T 7.71 4.50 4.33 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 1.37 0.00 0.00 46 P 0.00 4.60 0.00 2.21 2.22 0.00 3.88 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 2.02 2.02 0.00 47 D 7.67 4.71 0.00 2.75 2.94 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 48 W 7.48 4.87 0.00 3.65 3.43 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 49 L 6.81 4.47 0.00 1.77 0.68 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.15 4.50 0.00 1.68 0.96 0.00 1.78 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.53 7.81 51 V 7.89 4.22 2.01 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 0.78 0.00 0.00 0.85 0.00 0.00 52 D 8.76 4.51 0.00 2.82 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 53 V 8.11 3.58 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 0.97 0.00 0.00 0.96 0.00 0.00 54 E 8.28 4.02 0.00 1.96 2.03 0.00 0.00 0.00 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 2.37 0.00 55 R 8.52 4.06 0.00 2.11 2.11 0.00 3.29 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 56 A 7.77 3.98 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 57 R 7.83 3.80 0.00 1.87 1.96 0.00 3.28 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 58 Y 7.79 4.87 0.00 2.86 2.86 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 59 W 8.20 4.23 0.00 3.39 3.32 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 60 L 7.74 4.24 0.00 1.78 1.67 0.65 1.09 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 61 S 8.89 4.09 0.00 3.70 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 62 V 7.50 3.64 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.20 0.00 0.00 63 G 7.93 3.79 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 0.00 0.00 0.00 64 A 7.99 4.88 1.46 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 0.00 0.00 65 Q 8.27 4.01 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 66 P 0.00 4.76 0.00 2.10 2.06 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 67 T 7.64 4.45 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 68 D 8.03 4.20 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.72 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 1.15 0.00 0.00 70 A 8.01 3.93 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 71 R 7.89 3.67 0.00 2.16 2.15 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 72 R 7.74 3.89 0.00 1.88 2.07 0.00 3.08 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 73 L 8.84 3.79 0.00 1.50 1.51 0.22 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.65 4.28 0.00 1.81 1.60 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.63 4.05 0.00 2.04 2.16 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 76 Q 8.46 4.44 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 77 A 7.14 4.50 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 78 G 8.36 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 0.00 0.00 0.00 79 V 8.32 4.10 1.66 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 0.61 0.00 0.00 0.85 0.00 0.00 80 F 8.08 4.79 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 4.67 0.00 1.78 1.81 0.00 3.23 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 82 Q 8.69 4.32 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 5.62 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 83 E 8.30 4.03 0.00 2.17 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 0.00 2.19 2.23 0.00 *84 A 7.79 4.11 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 * Residues marked with a * may have inaccurate shift predictions.