NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.5811 8.1444 119.1647 56.2993 38.6245 174.0971 -2 F 4.3359 8.6992 123.9582 57.8859 39.9403 174.0595 -1 Q 3.9250 7.3127 126.0658 55.3430 30.7739 174.7083 0 G 3.4219 5.3800 105.3401 45.7462 0.0000 173.4790 -1 V 3.7050 7.0227 125.4658 61.8430 34.2739 175.0083 0 K 3.7819 5.6600 116.9401 56.8462 29.3768 175.1790 4 H 5.2058 8.8937 125.3173 53.8845 31.9708 172.5466 5 I 4.9028 8.4203 127.2887 59.4204 40.1606 175.1231 6 V 4.7630 8.9244 126.3658 61.0320 34.8182 173.9635 7 L 5.3477 8.7331 127.4041 53.0168 44.7954 175.4000 8 F 5.5759 9.6370 121.1352 55.6232 42.9047 174.0271 9 K 4.7559 8.6130 122.9780 54.5599 34.5915 175.2425 10 L 4.8009 9.0738 127.4947 53.2610 43.5915 176.8332 11 R 3.8647 8.8303 120.8471 56.6652 30.4970 177.7845 12 D 4.3038 8.9300 123.4966 57.5190 40.9371 177.3674 13 D 4.5470 7.8601 115.0808 53.5699 40.0411 176.5365 14 V 3.6567 7.4763 121.4819 62.0808 32.1554 174.4486 15 P 4.3333 0.0000 0.0000 62.9823 32.9715 177.9390 16 V 3.6564 8.4416 114.6509 64.5039 31.5979 178.7798 17 E 3.9384 8.1129 118.0724 59.4496 29.3643 178.7743 18 E 4.0100 8.0958 118.7622 58.7615 29.5637 178.4899 19 K 3.8541 7.9283 118.1394 59.4806 32.2313 178.5452 20 L 4.0955 7.8847 119.1789 58.0315 42.2207 178.7983 21 V 3.7926 7.6524 117.8056 65.9857 31.3649 178.7597 22 V 3.7751 7.6490 113.9062 64.0479 31.0731 176.9859 *24 N 4.6992 8.0460 115.8461 53.1770 40.6430 176.9201 25 S 4.1376 8.3883 114.3623 61.4906 62.7445 176.5552 26 F 4.1140 8.5423 123.5433 61.1088 39.1868 176.8578 27 K 3.7644 8.2129 118.7266 59.6303 31.8401 177.9645 28 E 3.8908 8.3091 119.1652 59.2601 29.2995 178.7128 29 A 3.9575 7.7599 119.5690 55.1791 18.7660 179.3784 30 I 3.7228 7.5831 118.5568 64.5579 36.9614 178.4591 31 E 4.1072 8.0198 117.2882 58.3295 29.3567 178.2767 32 A 4.2775 7.6886 120.1525 53.2583 18.7506 179.2174 33 L 4.0633 7.8747 118.3732 57.0286 41.3862 177.3239 34 P 4.3219 0.0000 0.0000 65.6844 30.9709 178.2738 35 A 4.0812 7.4952 118.4287 54.2965 18.2836 178.9363 36 K 4.5562 7.2530 112.8864 56.4726 33.5674 176.4059 37 I 4.5027 8.0173 121.1021 59.0860 37.7303 176.2037 38 S 4.2402 8.6414 120.9938 60.9523 63.1778 176.4508 39 V 3.7426 7.7648 112.8352 63.0435 31.5556 176.1657 40 I 3.3028 7.5188 121.5257 61.3156 36.9983 175.9006 41 R 4.2110 7.7843 125.2269 58.0378 31.1202 177.1282 42 K 4.4739 7.1999 117.6767 55.3512 35.6370 174.4008 43 I 5.0243 8.0792 125.6985 59.8895 41.1244 173.2961 44 E 4.9339 9.3494 125.3825 55.1769 33.3850 173.7361 45 V 4.8907 8.9937 121.5856 61.2087 33.8491 174.8328 46 G 4.2754 9.4450 115.4687 44.5083 0.0000 171.9142 47 L 5.2446 8.4107 124.4089 52.7214 43.3588 176.0448 48 N 4.3449 8.7544 123.2441 53.6906 40.2919 173.5340 *50 N 4.4469 8.5431 117.7554 52.5911 38.9670 172.7569 51 P 4.4360 0.0000 0.0000 64.4806 31.7811 177.6413 52 G 3.7296 8.4842 107.8776 47.1429 0.0000 173.4820 53 E 4.7705 7.9917 119.4633 55.0434 31.4888 175.9053 54 T 4.5456 8.5305 108.9799 61.2120 70.1986 174.2958 55 W 4.4967 8.3059 122.2029 56.2421 30.5681 175.4559 56 N 4.9176 9.0998 118.5355 54.2430 40.4834 175.2154 57 I 5.2897 7.9412 118.0502 59.3882 41.7241 174.3049 58 A 5.3376 9.4705 128.1639 50.0252 22.1755 174.5507 59 L 5.2959 9.6376 124.4307 53.4371 44.9085 174.3597 60 Y 5.0749 9.0231 127.8464 55.8052 41.4681 174.3914 61 S 4.7257 7.7516 119.3732 57.1558 67.2679 172.7542 62 E 5.4415 8.4469 119.7654 54.8371 33.1365 175.0315 63 F 4.9951 8.5619 120.3828 55.8970 43.1081 174.6217 64 D 4.3742 9.0166 120.0531 57.3737 41.1827 176.5733 65 N 4.6237 7.4927 114.6787 51.1048 40.9006 175.1397 66 L 4.0237 8.2455 119.7013 57.6118 41.4937 179.4100 67 D 4.3767 8.1188 118.8805 57.4368 40.7379 178.2840 68 D 4.3389 8.6990 119.7243 57.1992 40.7401 178.7643 69 V 2.2775 7.2837 118.3878 65.6426 31.3826 178.0842 70 K 3.8975 7.9778 119.2408 59.1018 31.7853 178.4643 71 F 3.9691 8.2701 120.5584 61.5049 39.6087 176.0076 72 Y 4.3616 8.4481 118.9038 60.9138 38.3553 178.0979 73 A 3.4580 7.9062 120.5902 54.8485 18.5987 178.9552 74 T 4.0938 7.5580 105.5927 61.8310 69.8601 174.8518 75 H 4.0076 7.2548 123.1641 55.3701 30.7127 174.0051 76 P 4.1907 0.0000 0.0000 65.9769 31.1536 178.7505 77 E 3.9994 8.3063 116.8457 59.5066 29.3917 178.7109 78 H 4.0627 8.1109 117.9087 59.0852 30.0064 177.1644 79 V 3.4373 8.0168 120.2260 65.9879 31.0723 177.7326 80 A 3.9443 7.8752 118.9218 55.1008 18.5820 179.0732 81 A 4.1863 7.8532 118.8223 55.4058 18.4681 180.0916 82 G 3.6746 8.3569 104.5593 47.9752 0.0000 176.0201 83 K 4.0564 8.2814 120.4942 58.9959 31.7257 179.1687 84 I 3.6870 7.4108 119.3046 64.3530 37.3155 177.5198 85 L 4.0863 7.8849 117.7902 55.5120 41.3947 178.7971 86 A 3.9583 7.6828 122.3099 55.2516 18.4692 178.9860 87 E 4.1092 8.1758 113.9353 58.6674 29.9364 177.7775 88 T 4.3927 7.5547 106.7272 61.0984 70.5217 174.1817 89 K 4.1653 7.9474 124.2950 56.7507 32.8389 175.0093 90 E 4.4983 9.0853 126.6751 57.5599 31.1657 176.0666 91 S 4.8258 7.6040 113.5083 56.7939 67.7584 172.7866 92 R 5.1864 8.7750 121.8496 54.5369 32.9315 174.1293 93 A 4.8349 9.0081 127.3792 50.2871 22.0775 174.4408 94 C 5.1306 8.5053 121.2495 57.8523 35.2190 173.2048 95 V 4.5631 8.7150 124.6428 61.2275 34.8903 173.5470 96 D 6.3000 8.8807 126.9315 52.8861 43.4116 174.6543 97 Y 5.2612 8.2389 120.2754 55.3068 41.4917 174.5294 98 E 4.6721 9.1484 120.3017 55.9741 30.9685 176.7971 99 F 4.6699 8.2962 116.9655 57.2466 38.1131 174.3177 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 Y 8.14 4.58 0.00 2.35 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 -2 F 8.70 4.34 0.00 3.03 3.02 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 0.00 0.00 0.00 -1 Q 7.31 3.93 0.00 1.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.98 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 0 G 5.38 3.42 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 0.00 -1 V 7.02 3.71 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 1.35 0.00 0.00 0.93 0.00 0.00 0 K 5.66 3.78 0.00 1.80 1.76 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.36 7.81 4 H 8.89 5.21 0.00 3.25 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.42 4.90 1.95 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 1.03 0.00 0.00 6 V 8.92 4.76 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 0.37 0.00 0.00 0.86 0.00 0.00 7 L 8.73 5.35 0.00 1.35 1.63 0.65 0.99 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 8 F 9.64 5.58 0.00 2.89 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 9 K 8.61 4.76 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.61 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.87 1.02 7.81 10 L 9.07 4.80 0.00 1.44 1.50 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.83 3.86 0.00 1.66 1.89 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 12 D 8.93 4.30 0.00 2.62 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 13 D 7.86 4.55 0.00 2.74 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 14 V 7.48 3.66 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 0.75 0.00 0.00 0.94 0.00 0.00 15 P 0.00 4.33 0.00 2.18 1.96 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 16 V 8.44 3.66 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 17 E 8.11 3.94 0.00 2.05 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 2.40 2.43 0.00 18 E 8.10 4.01 0.00 2.07 1.92 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 2.36 2.44 0.00 19 K 7.93 3.85 0.00 1.94 1.86 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.58 7.81 20 L 7.88 4.10 0.00 1.70 1.87 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.65 3.79 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 1.03 0.00 0.00 0.95 0.00 0.00 22 V 7.65 3.78 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 0.98 0.00 0.00 0.96 0.00 0.00 *24 N 8.05 4.70 0.00 2.92 2.91 0.00 0.00 7.04 7.57 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 25 S 8.39 4.14 0.00 3.95 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 26 F 8.54 4.11 0.00 3.10 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 27 K 8.21 3.76 0.00 1.95 2.01 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 28 E 8.31 3.89 0.00 2.16 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 2.29 2.33 0.00 29 A 7.76 3.96 1.29 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 0.00 0.00 30 I 7.58 3.72 1.54 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 0.56 -0.19 0.92 0.00 0.00 31 E 8.02 4.11 0.00 2.02 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 2.41 0.00 32 A 7.69 4.28 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 33 L 7.87 4.06 0.00 1.90 1.83 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.14 2.09 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 35 A 7.50 4.08 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 36 K 7.25 4.56 0.00 1.93 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.63 7.81 37 I 8.02 4.50 2.02 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 1.00 1.17 1.23 0.00 0.00 38 S 8.64 4.24 0.00 3.98 4.03 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 0.00 0.00 0.00 39 V 7.76 3.74 2.19 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 0.42 0.00 0.00 1.23 0.00 0.00 40 I 7.52 3.30 1.80 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.65 0.00 0.00 41 R 7.78 4.21 0.00 1.56 1.87 0.00 3.29 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 42 K 7.20 4.47 0.00 1.70 1.40 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 43 I 8.08 5.02 1.68 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 1.41 0.78 0.87 0.00 0.00 44 E 9.35 4.93 0.00 2.07 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 2.57 2.36 0.00 45 V 8.99 4.89 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 1.04 0.00 0.00 0.93 0.00 0.00 46 G 9.44 4.28 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 0.00 47 L 8.41 5.24 0.00 1.58 1.66 0.97 1.15 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 48 N 8.75 4.34 0.00 2.88 2.83 0.00 0.00 7.16 7.31 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 *50 N 8.54 4.45 0.00 2.81 2.89 0.00 0.00 6.64 7.71 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 51 P 0.00 4.44 0.00 2.23 2.17 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 52 G 8.48 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 53 E 7.99 4.77 0.00 2.13 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 2.29 2.40 0.00 54 T 8.53 4.55 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 1.26 0.00 0.00 55 W 8.31 4.50 0.00 3.30 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 56 N 9.10 4.92 0.00 2.76 2.88 0.00 0.00 6.76 6.93 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 57 I 7.94 5.29 2.12 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 1.24 0.00 0.00 58 A 9.47 5.34 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 59 L 9.64 5.30 0.00 2.11 1.77 1.33 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.02 5.07 0.00 3.11 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 61 S 7.75 4.73 0.00 3.49 3.72 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 0.00 0.00 0.00 62 E 8.45 5.44 0.00 1.66 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 0.00 1.75 1.72 0.00 63 F 8.56 5.00 0.00 2.76 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 64 D 9.02 4.37 0.00 2.84 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 65 N 7.49 4.62 0.00 2.93 2.87 0.00 0.00 6.30 6.67 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 66 L 8.25 4.02 0.00 1.71 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.12 4.38 0.00 2.89 2.72 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 0.00 0.00 0.00 68 D 8.70 4.34 0.00 2.96 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 69 V 7.28 2.28 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 0.71 0.00 0.00 0.59 0.00 0.00 70 K 7.98 3.90 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 71 F 8.27 3.97 0.00 3.17 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 72 Y 8.45 4.36 0.00 3.32 3.02 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 0.00 0.00 0.00 73 A 7.91 3.46 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 74 T 7.56 4.09 4.14 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 0.00 0.00 1.20 0.00 0.00 75 H 7.25 4.01 0.00 3.16 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.19 0.00 2.12 2.03 0.00 3.11 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 77 E 8.31 4.00 0.00 2.02 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 2.55 2.39 0.00 78 H 8.11 4.06 0.00 2.87 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.02 3.44 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 0.92 0.00 0.00 1.00 0.00 0.00 80 A 7.88 3.94 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 81 A 7.85 4.19 1.32 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 0.00 0.00 82 G 8.36 3.67 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 0.00 0.00 0.00 83 K 8.28 4.06 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.61 7.81 84 I 7.41 3.69 2.19 0.00 0.00 0.91 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 0.66 1.01 0.00 0.00 85 L 7.88 4.09 0.00 1.49 1.34 -0.98 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.68 3.96 1.31 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 87 E 8.18 4.11 0.00 1.94 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 2.29 2.22 0.00 88 T 7.55 4.39 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 1.17 0.00 0.00 89 K 7.95 4.17 0.00 1.77 1.72 0.00 2.01 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.46 7.81 90 E 9.09 4.50 0.00 1.91 1.92 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 2.09 2.16 0.00 91 S 7.60 4.83 0.00 3.20 3.75 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 92 R 8.77 5.19 0.00 1.90 1.82 0.00 3.40 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.00 93 A 9.01 4.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 5.13 0.00 2.88 2.74 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 95 V 8.71 4.56 2.16 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 1.07 0.00 0.00 0.92 0.00 0.00 96 D 8.88 6.30 0.00 2.67 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 97 Y 8.24 5.26 0.00 2.94 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 98 E 9.15 4.67 0.00 2.18 2.31 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 2.43 2.46 0.00 99 F 8.30 4.67 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.