NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3330 8.1733 120.1313 56.4978 34.4208 174.9590 3 L 4.5044 8.3709 122.5098 54.7140 42.5633 174.4490 4 A 4.3586 8.5144 121.8736 51.0010 23.7472 175.0041 5 V 4.3228 8.3098 119.5125 61.1706 34.5286 175.4811 6 V 4.4132 8.4590 127.2891 61.9370 31.0060 176.4714 7 T 3.9377 8.5442 119.1777 64.0153 69.0422 174.6840 8 G 4.1153 7.5286 108.7534 44.7769 0.0000 170.9129 9 Q 4.8053 8.3544 117.1931 53.9748 32.1224 175.6614 10 I 4.5672 8.3660 121.6295 59.6507 40.2880 174.9901 11 V 4.2880 8.4858 126.9294 61.5665 33.1532 175.5510 12 C 4.6079 8.5145 124.7464 58.3698 29.8844 173.9898 13 T 3.8320 8.5358 120.8980 66.3823 68.2357 175.9301 14 V 3.9350 7.5606 125.8086 61.7216 30.4891 174.7803 15 R 4.7415 7.9207 122.1323 53.6866 32.8723 174.7110 16 H 4.1628 8.6273 118.3367 56.3095 30.5879 175.2365 17 H 3.9046 9.1215 126.6248 59.4998 29.5721 176.8114 18 G 3.8761 8.3855 105.8226 47.5825 0.0000 173.4936 19 L 4.4290 8.4945 119.4115 53.8972 43.3379 177.5491 20 A 3.5045 7.7675 122.4921 54.0644 17.4787 177.5648 21 H 4.8786 8.5440 113.0170 57.1055 28.7420 173.7393 22 D 4.6289 7.5924 120.1699 55.0851 41.8465 175.4445 23 K 4.5525 8.5258 118.2432 54.9562 34.9733 176.2841 24 L 4.4716 8.4296 124.5066 53.3303 42.1835 175.3057 25 L 4.9597 8.4228 135.0000 54.0270 44.3191 176.6823 *27 V 4.2335 8.2538 118.0838 62.7155 33.6686 173.8967 28 E 4.6214 8.6614 121.9517 55.2615 32.9731 173.9392 *30 I 4.0622 8.3676 117.5802 61.3207 38.4340 175.0325 31 D 4.7325 8.4424 124.3442 51.0799 40.8634 175.5532 32 P 4.4509 0.0000 0.0000 65.9072 30.9233 177.1927 33 Q 4.1975 8.1900 115.3621 56.0874 28.8353 175.9864 34 G 4.1892 8.6637 106.6551 46.5123 0.0000 173.0939 35 N 5.0674 8.8027 117.1232 49.8845 41.0344 172.5649 36 P 4.3560 0.0000 0.0000 62.8365 31.9975 175.7056 37 D 4.7008 8.2948 126.2306 53.5258 43.1072 175.2171 38 G 3.6764 9.4904 105.4633 47.7502 0.0000 173.6283 39 Q 3.8483 8.0389 118.5698 56.6021 28.5974 175.5317 40 C 4.8135 7.8935 121.8818 57.5522 34.3968 171.8187 41 A 4.3557 7.7917 123.0763 51.7188 22.2773 175.6970 42 V 4.4999 8.3286 118.5828 61.9506 33.7065 174.7731 43 A 4.8054 8.9095 125.5772 50.8602 23.1096 175.2939 44 I 4.4257 8.3789 121.1744 60.3507 39.9980 174.2958 45 D 5.1114 8.8233 127.3266 52.9977 44.1401 175.2076 46 N 4.8804 8.9180 121.6077 53.2230 39.6011 176.0400 47 I 3.6781 7.9916 119.5042 63.8979 37.3803 176.8678 48 G 4.1077 9.3601 108.8732 45.1923 0.0000 172.9901 49 A 4.7057 8.3159 127.5702 50.2746 22.0357 176.4780 50 G 3.9188 8.7265 113.1017 45.2529 0.0000 173.1806 51 T 4.3725 8.3059 115.0941 64.0261 69.4029 176.3257 52 G 4.2335 8.9466 112.9183 46.2854 0.0000 174.4993 53 E 4.4662 8.0017 118.7629 56.4091 31.0641 175.9822 54 W 5.1677 8.8272 121.1705 55.4199 31.6082 175.7373 55 V 5.0799 9.0979 116.5219 59.7150 36.3057 174.0213 56 L 5.1289 8.5060 121.3037 53.1714 43.7631 176.0299 57 L 5.3864 8.4759 123.4249 52.8487 44.7004 176.3344 58 V 4.5767 8.3408 120.6116 60.2137 34.8414 175.1926 59 S 5.4027 7.8092 117.1966 56.9449 66.0895 173.5580 60 G 3.8879 8.4697 108.0630 46.1805 0.0000 174.2628 61 S 4.1472 8.4691 113.1770 61.5192 63.0351 175.8541 62 S 4.1044 8.0180 112.3335 59.5821 62.6388 175.1205 63 A 4.2305 8.0376 122.1876 55.7801 18.6206 179.4923 64 R 3.8878 7.9807 115.9999 59.8112 29.9268 179.0267 65 Q 3.9804 7.4646 115.7442 58.9540 28.8390 178.5348 66 A 4.1602 7.7707 119.6643 54.3148 18.3965 178.0393 67 H 4.6629 8.1105 116.5004 57.0199 30.4546 174.7928 68 K 4.7948 7.4406 117.7946 57.4493 40.3500 176.6395 69 S 4.3835 7.8803 110.3986 59.4529 66.3610 174.4614 *73 P 4.2554 0.0000 0.0000 62.9980 32.4457 175.4452 74 V 4.6157 7.0608 113.4227 63.2922 34.8445 173.9982 75 D 4.4250 8.3692 119.6463 54.2132 42.4041 175.1964 76 L 4.9622 7.4330 122.8036 55.0124 44.9532 173.4975 77 C 5.3022 8.4875 120.3368 56.4007 33.6861 173.5436 78 V 4.4004 8.3099 113.7732 61.3167 31.7630 176.3528 79 I 4.4818 9.0345 116.3253 59.7704 38.7282 175.6370 80 G 4.0482 7.5005 112.4283 45.7833 0.0000 172.4339 81 I 4.4346 8.2201 122.8882 59.2353 37.5870 176.0000 82 V 3.7842 8.4760 127.1685 63.5237 31.2723 175.5708 83 D 4.8329 8.9824 127.6210 56.4141 42.4150 175.9421 84 E 5.2784 7.8169 112.3972 55.7155 32.2215 175.5112 85 V 4.6216 8.8065 120.5418 61.4778 35.2580 174.2730 86 V 5.0185 8.5722 120.1084 59.6645 34.7830 175.1112 87 S 4.4855 9.0206 119.1590 57.6764 65.6602 173.9312 88 G 4.1701 9.5213 115.9015 47.5082 0.0000 173.4872 89 G 3.9654 7.9030 101.9321 45.1534 0.0000 173.5177 90 Q 4.2942 7.4299 114.2842 55.0387 33.1692 172.9035 91 V 4.1846 8.5359 125.9767 62.8346 31.3088 175.2158 92 I 4.3252 8.3484 121.6105 61.8499 38.7407 175.6899 93 F 4.4850 7.7666 124.1273 57.3020 42.9839 172.4530 94 H 4.4358 6.7831 123.4551 54.8769 32.3972 173.7039 95 K 3.5104 8.6093 127.1216 59.0469 32.4890 177.6372 96 L 4.3436 7.2761 117.0059 54.5967 41.7479 176.1793 97 E 4.1123 7.9895 126.4182 56.2428 29.4634 175.5169 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 K 8.17 4.33 0.00 1.79 1.97 0.00 1.41 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 3 L 8.37 4.50 0.00 1.41 1.34 1.07 0.52 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 4 A 8.51 4.36 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.31 4.32 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 0.97 0.00 0.00 0.47 0.00 0.00 6 V 8.46 4.41 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 1.04 0.00 0.00 0.93 0.00 0.00 7 T 8.54 3.94 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 1.25 0.00 0.00 8 G 7.53 4.12 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 0.00 0.00 0.00 9 Q 8.35 4.81 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 10 I 8.37 4.57 2.00 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 1.11 0.60 0.91 0.00 0.00 11 V 8.49 4.29 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 0.80 0.00 0.00 0.93 0.00 0.00 12 C 8.51 4.61 0.00 2.94 2.81 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 13 T 8.54 3.83 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 14 V 7.56 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 15 R 7.92 4.74 0.00 1.91 1.97 0.00 3.35 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 16 H 8.63 4.16 0.00 3.19 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 9.12 3.90 0.00 3.14 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.39 3.88 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 0.00 0.00 0.00 19 L 8.49 4.43 0.00 1.83 1.73 0.94 0.59 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 20 A 7.77 3.50 1.18 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 0.00 0.00 21 H 8.54 4.88 0.00 3.19 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.59 4.63 0.00 2.65 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 23 K 8.53 4.55 0.00 1.78 1.69 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 24 L 8.43 4.47 0.00 1.77 1.62 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.42 4.96 0.00 1.64 1.43 0.92 0.83 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 *27 V 8.25 4.23 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 0.81 0.00 0.00 0.91 0.00 0.00 28 E 8.66 4.62 0.00 1.86 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 *30 I 8.37 4.06 1.40 0.00 0.00 -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 0.75 0.20 0.63 0.00 0.00 31 D 8.44 4.73 0.00 2.83 2.77 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 32 P 0.00 4.45 0.00 2.22 2.26 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 33 Q 8.19 4.20 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 34 G 8.66 4.19 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 0.00 0.00 0.00 35 N 8.80 5.07 0.00 3.01 2.72 0.00 0.00 6.81 7.96 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 36 P 0.00 4.36 0.00 2.38 1.99 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 37 D 8.29 4.70 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.49 3.68 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 0.00 0.00 0.00 39 Q 8.04 3.85 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 40 C 7.89 4.81 0.00 3.02 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 41 A 7.79 4.36 1.16 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 0.00 0.00 0.00 0.00 0.00 42 V 8.33 4.50 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 0.83 0.00 0.00 0.91 0.00 0.00 43 A 8.91 4.81 1.19 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 0.00 0.00 44 I 8.38 4.43 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.10 0.87 0.00 0.00 45 D 8.82 5.11 0.00 2.80 2.42 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 46 N 8.92 4.88 0.00 2.84 3.23 0.00 0.00 6.25 7.81 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 47 I 7.99 3.68 2.00 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 1.36 0.55 0.93 0.00 0.00 48 G 9.36 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 0.00 0.00 0.00 49 A 8.32 4.71 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 50 G 8.73 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 51 T 8.31 4.37 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 1.38 0.00 0.00 52 G 8.95 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 0.00 0.00 0.00 0.00 53 E 8.00 4.47 0.00 2.20 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 0.00 2.45 2.38 0.00 54 W 8.83 5.17 0.00 2.63 2.71 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 0.00 0.00 0.00 55 V 9.10 5.08 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 0.74 0.00 0.00 0.94 0.00 0.00 56 L 8.51 5.13 0.00 1.61 1.55 0.94 0.77 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 57 L 8.48 5.39 0.00 1.46 1.50 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.34 4.58 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 0.95 0.00 0.00 0.92 0.00 0.00 59 S 7.81 5.40 0.00 3.94 3.88 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 60 G 8.47 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 61 S 8.47 4.15 0.00 3.89 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 62 S 8.02 4.10 0.00 3.82 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 63 A 8.04 4.23 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 64 R 7.98 3.89 0.00 1.91 2.19 0.00 3.36 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 65 Q 7.46 3.98 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 66 A 7.77 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.11 4.66 0.00 3.10 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.44 4.79 0.00 1.63 1.71 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.26 7.81 69 S 7.88 4.38 0.00 3.78 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 *73 P 0.00 4.26 0.00 2.10 2.03 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 74 V 7.06 4.62 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 0.71 0.00 0.00 0.91 0.00 0.00 75 D 8.37 4.42 0.00 2.81 2.81 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 76 L 7.43 4.96 0.00 1.72 1.49 0.93 0.98 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 77 C 8.49 5.30 0.00 3.01 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 78 V 8.31 4.40 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 0.75 0.00 0.00 1.02 0.00 0.00 79 I 9.03 4.48 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 1.25 0.68 0.91 0.00 0.00 80 G 7.50 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.22 4.43 1.92 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 1.34 0.56 1.03 0.00 0.00 82 V 8.48 3.78 2.36 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 1.01 0.00 0.00 1.08 0.00 0.00 83 D 8.98 4.83 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.82 5.28 0.00 2.07 1.90 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 2.15 2.28 0.00 85 V 8.81 4.62 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 1.12 0.00 0.00 1.21 0.00 0.00 86 V 8.57 5.02 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 0.75 0.00 0.00 0.96 0.00 0.00 87 S 9.02 4.49 0.00 3.83 3.68 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 88 G 9.52 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 89 G 7.90 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 0.00 0.00 0.00 90 Q 7.43 4.29 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 91 V 8.54 4.18 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 0.83 0.00 0.00 0.88 0.00 0.00 92 I 8.35 4.33 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.99 0.00 0.00 93 F 7.77 4.49 0.00 1.88 2.36 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 94 H 6.78 4.44 0.00 2.97 2.78 0.00 5.95 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.61 3.51 0.00 1.47 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.60 7.81 96 L 7.28 4.34 0.00 1.60 1.62 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.99 4.11 0.00 1.74 1.56 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 2.13 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.