NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2137 8.3449 121.7065 55.6477 29.6584 176.9175 6 L 4.5087 8.7607 111.8010 50.7986 44.8327 174.3886 7 T 4.1490 7.8798 110.5641 60.4670 70.4756 172.3839 8 P 4.5165 0.0000 0.0000 62.8884 32.0725 177.0453 9 R 4.5706 8.9144 116.4553 56.5242 29.9897 178.3697 10 R 3.7392 8.2785 120.8699 59.4909 29.9463 176.0189 11 P 4.0402 0.0000 0.0000 65.8934 31.2569 178.2317 12 Y 4.0278 8.1086 114.9178 60.8934 37.8362 178.2055 13 L 4.2352 8.3435 120.0230 57.8152 41.8356 179.0805 14 L 4.3315 8.7476 121.1189 58.6110 41.9065 179.3320 15 R 4.0651 8.3330 117.5888 59.1050 29.9008 178.8899 16 A 4.0827 8.4417 120.6054 55.4607 18.4509 179.6856 17 F 3.9788 8.8308 116.3850 60.8366 39.0944 177.2585 18 Y 4.1996 8.4994 119.2164 60.8299 38.6234 178.2034 19 E 3.8610 8.5583 119.4909 59.1091 29.4334 178.9391 20 W 4.2818 8.9292 129.1951 60.5358 30.7155 177.8906 21 L 3.5044 8.6586 119.0004 57.7271 41.1266 179.4467 22 L 3.7900 7.3523 118.2351 57.9802 41.3111 179.4316 23 D 4.5990 7.8878 117.4092 56.7215 40.6869 177.5475 24 N 4.5694 7.0748 114.8780 51.9954 38.8010 174.7461 25 Q 3.4454 8.0681 118.2504 57.1335 26.7701 173.4037 26 L 4.5591 7.5306 116.1330 53.5845 44.7579 176.7988 27 T 4.4582 10.1192 118.0118 61.2261 69.9577 172.4736 28 P 4.8230 0.0000 0.0000 62.8973 32.8331 175.0532 29 H 5.1454 9.0610 121.5572 53.6921 32.4245 172.6672 30 L 5.0837 9.0175 124.0648 53.8323 44.7422 175.5835 31 V 4.7992 8.8468 123.8923 61.4232 33.8401 174.2460 32 V 4.7160 8.8593 128.8967 61.3853 33.7274 174.5119 33 D 5.0427 8.9955 127.4857 52.9881 41.3498 176.5954 34 V 4.0426 8.2657 117.4170 62.4447 31.2515 177.6602 35 T 4.1615 8.4042 119.0526 65.3887 69.2541 175.6992 36 L 4.2646 7.3951 120.0496 53.4505 42.3209 174.7217 37 P 4.3587 0.0000 0.0000 63.9944 31.7145 177.4476 38 G 3.9081 8.8158 110.2163 45.1012 0.0000 173.5833 39 V 3.7581 7.0889 119.3969 63.1262 32.1127 176.0540 40 Q 4.5654 9.5899 127.7179 53.7983 29.6684 174.7070 41 V 4.7527 7.7909 115.1248 58.1625 36.3952 173.0537 42 P 4.3186 0.0000 0.0000 62.8190 32.3594 176.7863 *44 E 4.1376 8.6305 118.1315 56.2637 31.0403 176.7980 45 Y 4.3064 7.8849 113.4800 58.0065 38.6465 175.9607 46 A 4.2870 7.8909 122.9096 52.2360 19.2648 177.0334 47 R 4.4470 8.9501 119.8492 55.3793 33.1609 175.5205 48 D 4.0925 10.0636 124.1616 55.2065 39.9382 174.1709 49 G 4.0462 8.7868 105.7688 44.9817 0.0000 172.9903 50 Q 5.1104 8.0879 117.9021 54.0275 33.4707 173.9530 51 I 4.7856 8.7012 121.7584 59.2405 41.4502 174.2765 52 V 4.6829 8.5981 129.1295 61.7899 32.5506 174.7187 53 L 4.7550 8.6571 129.3742 52.7409 43.7186 175.6864 54 N 4.1932 8.8641 124.1306 52.9572 39.4557 174.4792 55 I 4.2488 8.1191 120.2308 60.3221 38.8789 175.9027 56 A 4.2198 8.7743 126.1665 52.0435 18.8514 177.7139 57 P 4.1950 0.0000 0.0000 66.3129 31.3457 178.7453 58 R 3.9872 7.9218 115.1852 58.8090 29.4274 178.0448 59 A 4.0894 7.2004 118.8056 51.7248 18.6398 176.6244 60 V 4.4618 7.3064 116.3491 61.2030 35.3461 174.3210 61 G 4.1837 8.6426 110.5734 44.8645 0.0000 172.3588 62 N 4.2132 8.9295 117.1737 53.5341 36.3303 174.6777 63 L 4.3005 8.0510 118.9170 55.5901 43.1451 175.9530 64 E 4.4412 9.7346 125.7579 54.5023 32.4665 175.8275 65 L 4.7883 8.1526 128.1749 53.2875 39.4530 176.1400 66 A 4.3077 8.0266 124.9011 50.9594 20.0925 178.9485 67 N 4.3232 8.4809 116.9922 56.2464 39.0872 176.9136 68 D 4.5698 8.1620 117.7473 55.8180 39.9125 175.5452 69 E 5.0965 7.4518 112.3062 55.1049 33.4822 174.4569 70 V 4.6254 8.5667 121.7339 62.0236 33.0756 175.0203 71 R 5.2235 8.6380 126.5385 54.4315 34.2487 174.4242 72 F 5.1461 7.7089 114.6940 56.8771 41.6367 172.2266 73 N 5.5038 8.7416 117.4294 52.0064 41.5210 173.7287 74 A 4.5929 8.5888 121.2823 51.4418 23.5622 174.9371 75 R 4.7526 8.2266 119.8693 54.6460 31.6722 175.6200 76 F 4.5483 8.7917 125.7849 56.9784 40.3359 175.3439 77 G 3.7427 8.8893 116.9991 46.6243 0.0000 174.5858 78 G 3.9714 8.3342 105.9519 45.2445 0.0000 173.5862 79 I 4.3844 7.2517 120.9281 57.9159 39.5422 172.6056 80 P 4.6444 0.0000 0.0000 63.2055 31.6613 175.5699 81 R 4.7847 9.4932 124.2498 54.4954 34.0807 173.5545 82 Q 4.8539 8.6294 122.4550 54.2740 30.5028 175.0780 83 V 4.2988 8.2166 124.5757 61.3583 34.1513 174.8805 84 S 4.6664 8.7545 121.8566 57.2661 65.8270 172.8727 85 V 4.6513 8.8730 128.3796 60.0076 34.0680 173.1330 86 P 4.6228 0.0000 0.0000 62.6637 31.9671 177.2021 87 L 3.2442 8.5496 122.0303 57.9165 41.8168 179.6127 88 A 2.8316 7.6729 119.7228 54.2141 18.5153 177.6845 89 A 4.2929 8.7301 118.3442 52.0199 19.2525 176.5803 90 V 4.3459 7.2718 117.3019 62.0388 31.7267 175.7090 91 L 4.4256 9.1638 128.6839 57.4929 42.2043 176.9478 92 A 4.1990 7.6288 117.4850 51.1571 22.8464 174.6351 93 I 5.2418 7.7833 118.8555 59.8165 41.7468 173.6860 94 Y 5.3347 8.5291 123.7667 56.3707 41.8767 172.7815 95 A 4.6451 9.3926 124.0005 51.1411 19.3937 178.5047 96 R 3.9381 8.5698 124.6819 59.3982 30.1096 177.9373 97 E 4.1928 8.2774 115.8644 58.5444 30.0526 177.5040 98 N 4.8338 7.9135 113.2385 52.5163 38.6705 174.6450 99 G 3.9833 8.7439 105.0329 46.4140 0.0000 174.1915 100 A 4.4215 9.0438 123.8424 50.7394 19.7865 178.2850 101 G 4.6237 8.1749 109.2094 46.1738 0.0000 170.1009 102 T 3.7333 7.5632 119.0495 62.0700 72.0825 172.3537 *104 F 4.8267 8.6588 118.2394 56.9328 40.1775 174.5894 105 E 4.2541 8.7918 124.1464 55.3291 30.0571 175.2722 106 P 4.5940 0.0000 0.0000 62.8848 32.3664 175.5006 107 E 4.7303 8.6116 118.3200 54.2231 33.2369 176.1696 108 A 3.8452 8.6915 124.2500 55.6397 18.4139 179.9397 109 A 3.7908 7.6452 117.0420 54.8188 18.4413 177.7728 110 Y 4.9005 7.4940 111.7840 57.8995 38.2719 175.6638 111 D 4.5713 8.2460 126.3261 54.6779 40.9498 176.2567 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 5 Q 8.34 4.21 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 6 L 8.76 4.51 0.00 1.69 1.52 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.88 4.15 4.25 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 1.21 0.00 0.00 8 P 0.00 4.52 0.00 2.08 1.55 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.54 0.00 9 R 8.91 4.57 0.00 2.13 2.17 0.00 2.84 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 10 R 8.28 3.74 0.00 2.20 2.05 0.00 2.87 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.67 0.00 11 P 0.00 4.04 0.00 1.95 1.92 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 12 Y 8.11 4.03 0.00 3.19 3.08 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 0.00 0.00 0.00 13 L 8.34 4.24 0.00 2.07 2.18 1.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.75 4.33 0.00 1.48 1.86 1.14 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.33 4.07 0.00 2.12 2.05 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 16 A 8.44 4.08 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 17 F 8.83 3.98 0.00 3.41 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 18 Y 8.50 4.20 0.00 3.31 3.33 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 19 E 8.56 3.86 0.00 2.31 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 0.00 2.73 2.55 0.00 20 W 8.93 4.28 0.00 3.19 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 21 L 8.66 3.50 0.00 1.76 1.54 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.35 3.79 0.00 1.60 1.53 0.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.89 4.60 0.00 2.80 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 24 N 7.07 4.57 0.00 2.30 2.52 0.00 0.00 7.02 7.51 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 25 Q 8.07 3.45 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 L 7.53 4.56 0.00 1.43 1.58 0.62 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 27 T 10.12 4.46 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 1.20 0.00 0.00 28 P 0.00 4.82 0.00 2.29 2.18 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.82 0.00 29 H 9.06 5.15 0.00 2.16 3.01 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.02 5.08 0.00 1.87 1.59 1.03 0.87 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 31 V 8.85 4.80 2.18 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 0.90 0.00 0.00 1.14 0.00 0.00 32 V 8.86 4.72 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 1.00 0.00 0.00 0.99 0.00 0.00 33 D 9.00 5.04 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.04 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 0.69 0.00 0.00 0.94 0.00 0.00 35 T 8.40 4.16 4.51 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 1.21 0.00 0.00 36 L 7.40 4.26 0.00 1.72 1.57 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.36 0.00 2.04 1.98 0.00 3.70 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 2.03 2.08 0.00 38 G 8.82 3.91 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 0.00 39 V 7.09 3.76 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 0.74 0.00 0.00 0.99 0.00 0.00 40 Q 9.59 4.57 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.44 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 41 V 7.79 4.75 1.94 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 0.69 0.00 0.00 0.88 0.00 0.00 42 P 0.00 4.32 0.00 1.96 1.88 0.00 3.29 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 *44 E 8.63 4.14 0.00 1.72 1.63 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 2.11 2.29 0.00 45 Y 7.88 4.31 0.00 2.91 3.05 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 46 A 7.89 4.29 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 47 R 8.95 4.45 0.00 1.80 1.82 0.00 3.31 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 48 D 10.06 4.09 0.00 2.72 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 49 G 8.79 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 50 Q 8.09 5.11 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 51 I 8.70 4.79 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.81 0.92 0.00 0.00 52 V 8.60 4.68 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 1.06 0.00 0.00 1.06 0.00 0.00 53 L 8.66 4.75 0.00 1.72 1.72 1.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.86 4.19 0.00 2.53 2.60 0.00 0.00 7.03 7.94 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 55 I 8.12 4.25 1.56 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 1.24 0.99 0.57 0.00 0.00 56 A 8.77 4.22 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 57 P 0.00 4.19 0.00 2.23 2.26 0.00 3.73 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 1.96 2.00 0.00 58 R 7.92 3.99 0.00 2.02 2.15 0.00 2.94 0.00 0.00 3.30 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 59 A 7.20 4.09 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 60 V 7.31 4.46 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 0.64 0.00 0.00 0.36 0.00 0.00 61 G 8.64 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 0.00 0.00 0.00 0.00 62 N 8.93 4.21 0.00 2.86 2.91 0.00 0.00 6.92 7.85 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 63 L 8.05 4.30 0.00 1.61 1.53 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.73 4.44 0.00 1.86 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 0.00 2.21 2.53 0.00 65 L 8.15 4.79 0.00 1.41 1.51 0.36 0.66 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 66 A 8.03 4.31 1.34 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 0.00 0.00 67 N 8.48 4.32 0.00 2.69 2.88 0.00 0.00 6.93 8.06 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 68 D 8.16 4.57 0.00 2.84 2.92 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 69 E 7.45 5.10 0.00 2.10 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 2.17 2.21 0.00 70 V 8.57 4.63 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 1.17 0.00 0.00 0.90 0.00 0.00 71 R 8.64 5.22 0.00 1.87 1.72 0.00 3.21 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 72 F 7.71 5.15 0.00 3.13 3.06 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 73 N 8.74 5.50 0.00 2.64 2.75 0.00 0.00 7.02 6.99 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 74 A 8.59 4.59 1.08 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 0.00 0.00 0.00 0.00 0.00 75 R 8.23 4.75 0.00 1.74 1.70 0.00 3.35 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 76 F 8.79 4.55 0.00 3.10 2.95 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 0.00 0.00 0.00 77 G 8.89 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 0.00 0.00 0.00 78 G 8.33 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 79 I 7.25 4.38 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 1.07 0.00 0.00 80 P 0.00 4.64 0.00 2.12 2.06 0.00 3.77 0.00 0.00 3.59 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 81 R 9.49 4.78 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 82 Q 8.63 4.85 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.52 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 83 V 8.22 4.30 0.67 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 0.58 0.00 0.00 0.67 0.00 0.00 84 S 8.75 4.67 0.00 3.79 3.58 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 85 V 8.87 4.65 2.09 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 1.01 0.00 0.00 0.93 0.00 0.00 86 P 0.00 4.62 0.00 2.21 2.15 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 2.02 2.16 0.00 87 L 8.55 3.24 0.00 1.70 1.62 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.67 2.83 1.15 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 0.00 0.00 89 A 8.73 4.29 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 90 V 7.27 4.35 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 0.99 0.00 0.00 0.90 0.00 0.00 91 L 9.16 4.43 0.00 1.80 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.63 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.78 5.24 2.09 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.91 0.00 0.00 94 Y 8.53 5.33 0.00 3.22 2.96 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 95 A 9.39 4.65 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 96 R 8.57 3.94 0.00 1.38 1.85 0.00 3.23 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 97 E 8.28 4.19 0.00 2.09 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 0.00 2.22 2.18 0.00 98 N 7.91 4.83 0.00 2.79 2.86 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.74 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 0.00 100 A 9.04 4.42 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.17 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.56 3.73 3.65 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 -0.42 0.00 0.00 *104 F 8.66 4.83 0.00 3.15 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 0.00 105 E 8.79 4.25 0.00 2.06 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 2.37 2.29 0.00 106 P 0.00 4.59 0.00 2.24 2.11 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 107 E 8.61 4.73 0.00 2.04 1.77 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 2.35 2.60 0.00 108 A 8.69 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.65 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.49 4.90 0.00 3.15 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 0.00 111 D 8.25 4.57 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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.