NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3143 8.3344 115.2907 57.5899 63.6283 172.5192 2 L 4.2358 7.7606 121.8654 52.4194 42.5725 173.4242 3 S 4.9783 8.7807 121.0048 56.3350 65.1111 172.3366 4 I 4.5704 8.3675 126.7607 60.6945 41.2094 173.9140 5 G 4.1418 9.6368 111.8280 44.1077 0.0000 171.7004 6 R 4.8458 8.8618 115.1463 55.2512 33.4357 175.7286 7 T 4.4898 8.5536 107.3851 62.4672 70.2435 173.7759 8 C 5.2892 7.6382 122.3446 57.7484 34.5423 172.9059 9 W 5.2347 9.6134 124.8891 54.8876 33.4348 173.9003 10 A 5.1983 8.8531 123.8770 50.2433 21.4897 175.3295 11 I 4.4355 8.9072 123.4286 59.4674 39.0803 176.6498 12 A 4.0191 8.8615 130.1075 53.2894 18.8080 176.0954 13 E 4.5639 7.5088 115.8419 53.9041 32.9316 175.3683 14 G 2.9037 7.9999 109.4322 45.4546 0.0000 171.7956 15 Y 5.1520 7.5595 126.2745 56.5139 42.7530 173.3343 16 I 4.5188 8.2018 127.7914 58.9498 38.4432 174.0482 17 P 4.7712 0.0000 0.0000 60.6036 32.8713 173.8214 18 P 4.4569 0.0000 0.0000 63.3121 31.5990 175.7314 19 Y 4.7985 8.6952 121.8174 57.1296 41.4205 174.5514 20 G 3.5865 8.4440 114.4665 45.7040 0.0000 173.8293 *31 E 4.8291 8.2484 119.9860 55.9497 32.0842 175.2907 32 T 5.0711 8.0621 113.4644 61.5497 72.6471 173.6668 33 V 4.3613 8.2459 122.8156 61.3695 35.4046 173.7047 34 C 4.9994 8.9684 125.2753 58.0044 30.7652 172.7009 35 I 4.7432 8.6358 124.5165 59.2565 39.9679 174.1084 36 L 4.7921 9.0238 129.1111 53.2903 44.5018 174.5366 37 N 5.0807 9.0928 125.5397 51.8947 39.7138 174.4238 38 A 4.2585 8.7087 127.0464 52.5108 19.3500 177.4090 39 G 4.0193 8.0883 106.3441 44.0467 0.0000 174.1215 40 D 4.6692 8.4495 116.7742 53.9456 41.0512 176.0327 41 E 4.7715 7.6545 119.9172 53.8972 32.3758 175.2461 42 D 4.7002 8.8536 125.5926 54.7520 41.9291 175.4704 43 A 4.6137 8.9514 125.0384 51.0052 20.5082 175.8388 44 H 4.9685 9.5211 121.5964 54.8017 30.0783 174.6268 45 V 4.5433 8.8736 124.8406 61.5464 33.6896 174.4324 46 E 5.3778 9.3757 126.1684 54.6493 33.0325 174.7622 47 I 5.1580 9.0324 124.9329 59.9122 40.2142 174.5536 48 T 5.1178 8.9834 123.4524 61.8794 71.3493 173.1806 49 I 4.7876 8.6946 126.9900 59.9724 39.4224 174.4751 50 Y 4.8895 9.1682 124.3483 56.5374 41.0834 174.2602 51 Y 5.2734 8.3885 117.8830 56.3335 41.9116 175.8203 52 S 4.4413 9.1348 115.1642 60.5790 63.6594 174.7854 53 D 4.9095 8.0136 117.8382 52.1639 40.1527 174.4645 54 K 4.5197 7.8302 116.5610 56.0335 34.9894 174.9236 55 E 4.1451 8.5977 119.4178 55.9381 29.8836 175.4681 56 P 4.6455 0.0000 0.0000 62.8170 32.6488 175.4158 57 V 4.3372 9.3971 120.8755 60.1312 34.2106 175.4215 58 G 4.2634 7.9817 113.4112 45.7250 0.0000 169.4643 59 P 4.9824 0.0000 0.0000 62.5118 32.7718 175.2846 60 Y 4.5648 9.1878 120.2261 57.1656 39.5709 174.7026 61 R 5.3800 8.6275 122.6179 54.5552 33.0630 174.9439 62 L 4.6772 8.7554 121.6648 55.2169 44.5343 174.0066 63 T 5.0685 8.4413 115.8212 61.7976 71.1870 174.1135 64 V 4.2272 8.6149 126.5560 60.4876 33.0390 173.5051 65 P 4.9447 0.0000 0.0000 61.9173 32.3404 176.1970 66 A 3.9986 8.7685 123.2758 53.2786 18.8415 177.9196 67 R 3.8395 8.4880 119.9746 57.4075 28.5638 176.2419 68 R 4.7957 7.6486 114.0119 54.7872 34.8499 174.5735 69 T 5.0183 8.3953 114.4606 60.4732 70.4110 173.3207 70 K 4.5454 9.0102 126.5695 55.1702 35.8307 174.6228 71 H 4.8106 8.9764 125.1473 55.3175 29.7691 174.7753 72 V 4.0946 8.8842 124.9252 61.0520 33.3728 175.0816 73 R 4.5728 8.3212 128.1588 55.1453 30.5692 177.6397 74 F 4.2840 9.3202 123.6241 60.4139 39.2673 177.3958 75 N 4.3466 8.3335 118.2117 56.4076 38.7984 175.1751 76 D 4.6056 7.8074 116.0753 55.1243 41.5760 176.7554 77 L 4.1909 7.5373 121.1687 54.8796 41.7571 177.7154 78 N 5.3769 8.6723 116.4599 53.3865 39.6579 173.3892 79 D 4.7386 8.1179 118.4598 51.8694 43.3624 173.5635 80 P 4.2420 0.0000 0.0000 65.1791 31.8015 176.1125 81 A 4.6134 7.3686 119.7101 50.3033 21.8216 173.7497 82 P 4.8740 0.0000 0.0000 61.8494 32.1676 176.2886 83 I 4.1736 8.0120 122.1725 59.2312 37.8649 174.3672 84 P 4.2770 0.0000 0.0000 63.1642 31.7532 175.9969 85 H 4.3347 8.7341 118.3638 56.2690 29.3256 174.4191 86 D 4.3097 8.5020 116.8358 54.2058 40.0724 173.1658 87 T 4.7981 7.1301 111.2455 61.0574 71.6104 173.4974 88 D 5.0549 8.9519 126.3993 54.3729 41.6432 175.4668 89 F 5.1416 8.5056 117.3904 55.5503 41.8220 173.0983 90 A 4.8760 9.0471 119.1587 50.3435 22.8425 175.2781 91 S 5.3993 9.1941 113.5113 56.5877 67.1733 172.9745 92 V 4.9791 9.0402 120.8151 61.2775 34.4860 174.2473 93 I 5.0328 9.1227 128.4993 59.9476 39.7538 174.4394 94 Q 5.2964 9.3403 126.8766 54.3045 31.6202 174.9657 95 S 5.2922 9.1892 116.2698 55.6134 65.3581 173.7904 96 N 4.6303 9.0824 122.4585 55.1310 37.7463 175.4049 97 V 4.5711 7.5462 110.3405 58.1152 35.2991 173.2695 98 P 4.6771 0.0000 0.0000 63.3825 31.8982 175.6196 99 I 4.9124 9.1166 116.1976 59.4238 42.0935 173.7122 100 V 4.6552 8.7512 122.6289 60.9905 33.8467 174.3547 101 V 4.4060 5.9445 126.5398 60.8327 34.0104 174.2322 102 Q 4.4772 8.7743 128.0496 54.6570 32.8208 173.3469 103 H 4.8792 8.7180 120.7481 53.4786 28.9013 173.4067 104 T 3.9695 8.0240 115.6948 62.5230 68.7786 175.2270 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 S 8.33 4.31 0.00 3.85 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 2 L 7.76 4.24 0.00 1.84 1.53 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.78 4.98 0.00 3.84 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 4 I 8.37 4.57 1.90 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 1.42 0.99 0.95 0.00 0.00 5 G 9.64 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 0.00 0.00 0.00 0.00 6 R 8.86 4.85 0.00 1.61 1.82 0.00 2.25 0.00 0.00 2.70 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 7 T 8.55 4.49 4.48 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 1.28 0.00 0.00 8 C 7.64 5.29 0.00 2.90 2.68 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 9 W 9.61 5.23 0.00 3.28 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 10 A 8.85 5.20 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 11 I 8.91 4.44 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.73 0.00 0.00 12 A 8.86 4.02 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 13 E 7.51 4.56 0.00 1.88 1.76 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 2.14 2.22 0.00 14 G 8.00 2.90 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 0.00 0.00 0.00 15 Y 7.56 5.15 0.00 2.95 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 16 I 8.20 4.52 1.72 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 1.67 0.78 0.71 0.00 0.00 17 P 0.00 4.77 0.00 2.29 2.31 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 P 0.00 4.46 0.00 2.14 2.10 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 2.11 2.16 0.00 19 Y 8.70 4.80 0.00 2.85 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 20 G 8.44 3.59 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 0.00 0.00 0.00 *31 E 8.25 4.83 0.00 2.44 2.11 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 2.36 2.51 0.00 32 T 8.06 5.07 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 1.11 0.00 0.00 33 V 8.25 4.36 1.61 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 0.80 0.00 0.00 0.86 0.00 0.00 34 C 8.97 5.00 0.00 2.72 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 35 I 8.64 4.74 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.52 0.82 0.00 0.00 36 L 9.02 4.79 0.00 1.64 1.43 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.09 5.08 0.00 2.83 2.90 0.00 0.00 6.73 9.01 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 38 A 8.71 4.26 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 39 G 8.09 4.02 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 0.00 0.00 0.00 40 D 8.45 4.67 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.65 4.77 0.00 1.93 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 2.14 2.29 0.00 42 D 8.85 4.70 0.00 2.54 2.53 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 0.00 0.00 0.00 0.00 43 A 8.95 4.61 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.52 4.97 0.00 3.10 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.87 4.54 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 46 E 9.38 5.38 0.00 1.95 1.86 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 2.26 2.30 0.00 47 I 9.03 5.16 2.02 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 1.33 0.90 1.09 0.00 0.00 48 T 8.98 5.12 4.38 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 0.88 0.00 0.00 49 I 8.69 4.79 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.19 0.00 0.00 50 Y 9.17 4.89 0.00 2.78 2.87 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 0.00 0.00 0.00 51 Y 8.39 5.27 0.00 3.07 2.87 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 0.00 0.00 0.00 52 S 9.13 4.44 0.00 4.05 4.08 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 53 D 8.01 4.91 0.00 2.75 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 54 K 7.83 4.52 0.00 1.82 1.75 0.00 1.35 0.00 0.00 1.51 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.42 7.81 55 E 8.60 4.15 0.00 1.99 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 0.00 2.34 2.27 0.00 56 P 0.00 4.65 0.00 1.47 0.83 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 57 V 9.40 4.34 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 1.01 0.00 0.00 1.02 0.00 0.00 58 G 7.98 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 0.00 0.00 0.00 59 P 0.00 4.98 0.00 2.12 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 60 Y 9.19 4.56 0.00 2.96 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 61 R 8.63 5.38 0.00 1.69 1.84 0.00 3.22 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 62 L 8.76 4.68 0.00 1.74 1.74 0.90 0.63 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 63 T 8.44 5.07 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 1.28 0.00 0.00 64 V 8.61 4.23 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 1.02 0.00 0.00 0.90 0.00 0.00 65 P 0.00 4.94 0.00 1.97 1.98 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.77 4.00 1.24 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 0.00 0.00 0.00 67 R 8.49 3.84 0.00 1.97 2.01 0.00 3.11 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 68 R 7.65 4.80 0.00 1.72 1.74 0.00 3.23 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 69 T 8.40 5.02 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 70 K 9.01 4.55 0.00 1.74 1.53 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.38 7.81 71 H 8.98 4.81 0.00 3.01 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.88 4.09 1.78 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 0.71 0.00 0.00 0.82 0.00 0.00 73 R 8.32 4.57 0.00 2.00 1.82 0.00 3.15 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 74 F 9.32 4.28 0.00 3.33 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 75 N 8.33 4.35 0.00 2.87 2.86 0.00 0.00 6.97 8.47 0.00 0.00 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 D 7.81 4.61 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.19 0.00 1.61 1.25 0.71 0.79 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 78 N 8.67 5.38 0.00 2.81 2.89 0.00 0.00 6.09 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 79 D 8.12 4.74 0.00 2.60 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 80 P 0.00 4.24 0.00 2.03 1.97 0.00 2.28 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 81 A 7.37 4.61 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 82 P 0.00 4.87 0.00 2.07 2.02 0.00 3.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.01 4.17 1.58 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.27 0.24 0.00 0.00 84 P 0.00 4.28 0.00 2.17 2.03 0.00 3.81 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 2.02 1.83 0.00 85 H 8.73 4.33 0.00 3.18 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.50 4.31 0.00 2.72 2.73 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 87 T 7.13 4.80 4.53 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 0.00 0.00 0.00 1.42 0.00 0.00 88 D 8.95 5.05 0.00 2.68 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 89 F 8.51 5.14 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 90 A 9.05 4.88 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 9.19 5.40 0.00 4.07 4.07 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 0.00 0.00 0.00 92 V 9.04 4.98 2.38 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 1.10 0.00 0.00 1.00 0.00 0.00 93 I 9.12 5.03 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.97 0.00 0.00 94 Q 9.34 5.30 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 95 S 9.19 5.29 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 96 N 9.08 4.63 0.00 2.80 2.98 0.00 0.00 5.87 7.68 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 97 V 7.55 4.57 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 0.78 0.00 0.00 0.93 0.00 0.00 98 P 0.00 4.68 0.00 1.99 2.13 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.12 4.91 1.95 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 1.02 0.99 0.00 0.00 100 V 8.75 4.66 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 0.82 0.00 0.00 1.03 0.00 0.00 101 V 5.94 4.41 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 0.23 0.00 0.00 102 Q 8.77 4.48 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 103 H 8.72 4.88 0.00 3.39 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.02 3.97 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.