NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3997 8.3344 115.4130 57.9141 64.3488 171.9315 3 L 3.9995 8.3663 122.2459 53.6461 42.5670 175.2332 4 S 4.5934 8.7493 120.8526 59.1372 65.8150 173.3254 5 G 3.8452 7.3069 111.4631 45.1250 0.0000 172.8140 6 V 4.0643 8.4590 124.2719 61.6227 32.4831 176.3404 7 S 4.2715 8.8672 122.7236 60.8929 62.6186 173.2621 8 H 4.7929 7.1537 111.0643 55.0655 30.5303 173.2923 9 V 4.4392 8.2365 119.8175 61.1856 34.1316 174.0225 10 S 5.1405 8.7711 122.1986 56.6057 64.1991 172.7197 11 L 4.7994 9.0666 127.4409 53.2229 44.3383 175.6439 12 T 4.9049 8.4895 120.0924 63.0127 69.4321 174.5745 13 V 4.6286 8.6901 119.2602 59.5957 35.1613 177.3789 14 R 3.8170 9.0724 122.7338 58.6413 30.2290 177.3072 15 D 4.8202 7.7418 117.5256 51.3750 43.7373 175.0685 16 L 3.9192 9.2419 129.9166 58.6739 42.1479 178.5489 17 D 4.4294 8.1789 117.8048 57.5975 40.8416 178.8690 18 I 3.7922 8.3810 120.3326 64.6404 37.0388 178.7899 19 S 4.3566 8.4949 116.2978 61.6375 62.6094 176.4941 20 C 3.9710 8.7174 119.9472 62.8923 27.8256 176.4186 21 R 4.0568 8.1432 119.5861 58.8596 29.5868 178.8734 22 W 3.9461 8.3863 128.1458 60.8811 30.8003 177.7152 23 Y 3.9193 8.7357 116.9939 61.1599 37.0747 178.7993 24 T 4.5553 8.2268 118.1837 66.2268 68.4169 176.4477 25 E 3.8115 8.1192 120.0336 59.2707 29.7610 178.6083 26 I 3.4836 7.2840 118.8080 63.3029 35.8902 176.9677 27 L 4.3956 7.4882 116.7140 53.8198 42.1860 176.6899 28 D 4.7361 7.9888 116.8489 54.7218 38.8625 173.7974 29 W 4.3107 7.6566 128.8158 57.6993 31.2791 174.4988 30 K 4.3603 8.2666 127.0740 54.0848 33.6308 174.6794 31 E 3.2703 8.0850 129.4348 56.4377 29.5301 175.9159 32 L 4.5419 8.9111 127.5233 56.2334 43.2633 177.1817 33 V 4.5376 7.4384 115.8257 60.3855 34.7477 173.2679 34 R 4.7343 8.1082 121.3832 54.9608 33.4989 173.9959 35 G 3.6860 7.3284 108.5171 45.5318 0.0000 171.8896 36 R 4.9939 8.5890 119.5714 54.6590 32.7771 174.9595 37 G 4.3268 9.7513 116.2894 44.0135 0.0000 172.5064 38 D 4.5406 8.9112 118.3961 57.4091 41.0022 177.9503 39 T 5.5568 8.0608 107.0732 60.2235 69.8771 172.9667 40 T 5.1075 7.8439 110.5006 61.3950 72.6749 172.1536 41 S 4.9384 9.1948 118.2920 56.8128 66.7100 173.3660 42 F 5.5687 8.8811 117.4796 55.4211 42.2885 173.3577 43 A 5.0168 9.3336 120.4329 50.9657 22.4719 174.4824 44 H 5.2023 9.7650 124.1126 55.0013 31.8209 174.2830 45 G 3.5689 9.4561 111.9123 44.4194 0.0000 171.1755 46 V 5.1341 7.9704 111.7514 59.4976 35.7980 175.9493 47 L 4.8808 9.0309 124.4169 52.6366 43.9572 174.5821 48 P 4.4534 0.0000 0.0000 64.1948 31.7240 176.8773 49 G 3.9460 8.5793 110.0331 44.7826 0.0000 174.6621 50 G 3.9756 8.1198 107.2121 44.5095 0.0000 173.5112 51 L 4.1711 7.8623 122.8626 55.3845 43.4776 175.6968 52 S 5.1447 8.8194 122.3048 57.9212 64.7469 173.0134 53 I 5.0408 9.2162 125.5106 59.5906 40.6918 174.3792 54 V 4.8268 8.8404 127.6433 61.2139 33.7425 174.1519 55 L 4.9740 9.0664 128.3015 53.0464 43.9105 175.3473 56 R 5.0138 9.1855 124.3503 54.4935 33.3101 173.3012 57 E 5.2099 9.4539 127.7763 54.3686 31.4124 174.1664 58 H 5.1550 8.7935 124.0823 54.3130 30.6247 174.8754 59 D 4.3358 9.4550 122.7004 55.1678 42.2050 176.9561 60 G 4.3410 8.7876 107.5221 46.2717 0.0000 174.0084 61 G 3.7693 7.4625 107.1434 44.6792 0.0000 176.6641 62 G 3.9014 8.2258 110.3214 45.0407 0.0000 172.7726 63 T 4.2407 8.3708 112.5266 62.3120 68.1748 175.6175 64 D 4.2771 7.7396 120.2872 54.9357 41.2098 176.3558 65 L 4.6364 8.0913 123.0456 52.7390 44.1333 175.8251 66 F 4.2973 8.6352 122.7444 58.9516 40.1959 174.3830 67 D 4.1890 7.3782 123.3565 52.4645 43.2430 175.3391 68 E 3.5988 8.6644 127.0456 59.5570 29.5817 178.7400 69 T 4.0152 8.1681 107.1917 62.6174 69.2907 174.5202 70 R 4.1698 7.6540 123.9825 54.4641 30.8526 174.0960 71 P 4.2941 0.0000 0.0000 63.7338 32.8603 173.5810 72 G 4.0563 8.0794 108.9616 44.3357 0.0000 175.7367 73 L 4.2262 8.5280 128.5248 54.5317 42.7096 175.3476 74 D 4.6908 8.6529 125.6823 55.6960 41.9803 175.7088 75 H 4.6607 7.3185 109.4669 54.8060 30.8706 172.5856 76 L 4.4558 8.0042 122.8051 53.3629 44.1131 174.7519 77 S 5.0479 8.3780 120.9036 56.5999 64.2334 172.9452 78 F 5.0882 9.3372 127.0389 56.4676 40.7533 175.1682 79 S 5.0361 8.8429 117.0861 57.3502 64.6452 173.5937 80 V 4.6133 8.3388 114.2140 59.7134 35.0107 175.4032 81 E 4.5020 8.9622 120.4694 58.4600 31.5665 177.1533 82 S 4.4683 7.6327 112.9545 58.5221 66.5213 176.0639 *84 T 4.2296 8.9981 116.1912 63.5294 70.3179 175.3762 85 D 4.2965 7.9743 120.9269 57.3752 40.6555 178.8927 86 L 4.0040 7.7669 118.9896 57.7082 41.7279 179.0638 87 D 4.2689 7.9283 118.4399 57.3241 40.8214 178.8032 88 V 3.4969 7.9434 118.9353 65.8387 31.5096 178.0225 89 L 3.6701 7.7641 118.6136 57.7977 41.3670 179.2587 90 E 3.2464 8.0523 118.5639 59.1569 29.3726 179.1243 91 E 3.8140 7.9856 119.1402 59.3098 29.7134 179.1538 92 R 3.7610 7.8362 118.0698 59.0438 30.0043 179.0260 93 L 3.7131 7.8746 118.8768 57.5782 41.5466 179.4057 94 A 4.2221 7.8548 120.8539 55.2603 18.1587 179.6006 95 K 3.8857 7.8767 116.5583 59.2715 32.3388 177.9786 96 A 4.3595 7.9122 118.4215 51.4656 18.7498 177.4328 97 G 3.8743 7.9538 104.8966 46.2987 0.0000 174.1674 98 A 4.6318 8.1910 120.4970 51.0726 20.0024 177.9916 99 A 4.5501 8.6989 121.6771 51.6770 19.9651 176.6852 100 F 5.2104 8.2455 114.3449 56.5226 39.3313 173.2514 101 T 4.5037 8.6377 117.9065 61.0338 70.4650 172.7236 102 P 4.6509 0.0000 0.0000 63.0139 32.0612 175.9935 103 T 4.2588 8.6654 117.2346 64.9220 69.0670 173.3279 104 Q 4.7648 9.1628 124.9201 54.0004 31.9284 174.2163 105 E 4.1595 8.7618 124.5024 55.1388 30.7338 175.1904 106 L 4.5066 8.3158 126.2469 51.6194 45.1893 175.5449 107 P 3.9534 0.0000 0.0000 65.4728 31.2793 177.6995 108 F 4.6083 7.5290 110.3656 55.9051 38.6717 176.2619 109 G 4.0069 5.6263 108.7536 44.8788 0.0000 170.8362 110 W 5.1208 8.4437 120.2931 55.0289 31.0152 176.1728 111 I 4.9266 8.8569 124.8383 59.3866 40.5258 174.1617 112 L 5.0897 9.2894 128.7552 53.4510 44.4015 174.5947 113 A 5.3532 8.4206 129.5224 50.5357 21.1118 175.6691 114 F 5.5978 9.0168 117.0178 55.6812 42.3954 173.3566 115 R 5.0787 8.8092 117.3702 54.5343 33.1761 176.3790 116 D 3.3700 7.9197 121.8868 51.3834 41.5105 176.5911 117 A 3.7196 6.7872 120.5229 54.9017 18.5203 178.1901 118 D 4.7082 8.5414 115.3433 54.0428 41.1595 176.9389 119 N 4.2014 8.1124 115.2686 53.9546 38.3678 174.1767 120 I 2.3783 7.4425 117.8842 60.6198 37.7431 174.8024 121 A 4.2537 6.8178 127.2863 51.8058 19.2232 176.2089 122 L 4.9572 8.5485 122.2563 53.1747 46.2362 175.6044 123 E 5.3107 8.6920 118.4057 55.1200 34.5329 174.1168 124 A 5.7513 9.0842 122.6499 49.0419 23.7676 175.0945 *126 L 4.3168 8.3625 119.5953 55.0127 43.0277 176.3598 127 G 4.3107 8.7690 113.2953 45.8570 0.0000 172.2755 128 R 4.5615 8.2986 118.5413 56.2830 29.8471 176.7238 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 S 8.33 4.40 0.00 3.99 3.99 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 0.00 0.00 0.00 0.00 3 L 8.37 4.00 0.00 1.71 1.61 0.91 0.59 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 4 S 8.75 4.59 0.00 4.02 3.96 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 5 G 7.31 3.85 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 0.00 0.00 0.00 6 V 8.46 4.06 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 0.85 0.00 0.00 0.94 0.00 0.00 7 S 8.87 4.27 0.00 3.87 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 8 H 7.15 4.79 0.00 3.24 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.24 4.44 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 1.03 0.00 0.00 0.97 0.00 0.00 10 S 8.77 5.14 0.00 3.94 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 11 L 9.07 4.80 0.00 1.40 1.44 0.86 0.50 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 12 T 8.49 4.90 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 13 V 8.69 4.63 2.14 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 0.85 0.00 0.00 0.95 0.00 0.00 14 R 9.07 3.82 0.00 1.94 1.99 0.00 3.12 0.00 0.00 3.48 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 D 7.74 4.82 0.00 2.66 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 16 L 9.24 3.92 0.00 1.77 1.68 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.18 4.43 0.00 2.90 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 18 I 8.38 3.79 2.04 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 1.57 0.93 0.96 0.00 0.00 19 S 8.49 4.36 0.00 4.02 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 20 C 8.72 3.97 0.00 3.20 3.29 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 21 R 8.14 4.06 0.00 2.15 2.06 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 22 W 8.39 3.95 0.00 3.56 3.31 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 23 Y 8.74 3.92 0.00 2.84 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 24 T 8.23 4.56 4.58 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 1.29 0.00 0.00 25 E 8.12 3.81 0.00 1.91 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 0.00 2.09 2.22 0.00 26 I 7.28 3.48 0.68 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.36 0.21 0.00 0.00 27 L 7.49 4.40 0.00 1.84 1.54 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.99 4.74 0.00 2.77 2.76 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 0.00 0.00 0.00 29 W 7.66 4.31 0.00 3.56 3.31 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 30 K 8.27 4.36 0.00 1.69 1.57 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.09 1.19 7.81 31 E 8.08 3.27 0.00 1.64 1.65 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 2.18 2.31 0.00 32 L 8.91 4.54 0.00 1.56 1.62 0.87 0.84 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 33 V 7.44 4.54 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 0.96 0.00 0.00 0.93 0.00 0.00 34 R 8.11 4.73 0.00 1.71 1.65 0.00 3.56 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 35 G 7.33 3.69 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 0.00 0.00 0.00 36 R 8.59 4.99 0.00 1.74 1.78 0.00 3.50 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 37 G 9.75 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 0.00 0.00 0.00 0.00 38 D 8.91 4.54 0.00 2.70 2.76 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 0.00 0.00 0.00 39 T 8.06 5.56 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 1.23 0.00 0.00 40 T 7.84 5.11 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 0.99 0.00 0.00 41 S 9.19 4.94 0.00 3.75 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 42 F 8.88 5.57 0.00 3.24 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 43 A 9.33 5.02 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 44 H 9.76 5.20 0.00 3.48 3.30 0.00 5.53 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.46 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.97 5.13 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 0.78 0.00 0.00 0.82 0.00 0.00 47 L 9.03 4.88 0.00 1.59 1.58 0.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.45 0.00 2.02 1.97 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 49 G 8.58 3.95 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 0.00 0.00 0.00 50 G 8.12 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 51 L 7.86 4.17 0.00 1.90 1.67 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.82 5.14 0.00 4.11 3.83 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 0.00 0.00 0.00 53 I 9.22 5.04 2.22 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.75 0.00 0.00 54 V 8.84 4.83 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 1.08 0.00 0.00 0.78 0.00 0.00 55 L 9.07 4.97 0.00 1.49 1.36 -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.19 5.01 0.00 1.85 1.76 0.00 3.06 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 57 E 9.45 5.21 0.00 2.05 1.81 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 2.25 2.42 0.00 58 H 8.79 5.16 0.00 3.08 3.23 0.00 5.78 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 59 D 9.46 4.34 0.00 2.60 2.63 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 0.00 0.00 0.00 60 G 8.79 4.34 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 0.00 61 G 7.46 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 62 G 8.23 3.90 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 63 T 8.37 4.24 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 64 D 7.74 4.28 0.00 2.74 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 65 L 8.09 4.64 0.00 1.54 1.66 0.93 0.91 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 66 F 8.64 4.30 0.00 2.96 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 67 D 7.38 4.19 0.00 2.52 2.21 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 0.00 68 E 8.66 3.60 0.00 1.91 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 2.47 2.69 0.00 69 T 8.17 4.02 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 1.16 0.00 0.00 70 R 7.65 4.17 0.00 1.65 1.83 0.00 3.20 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 71 P 0.00 4.29 0.00 2.04 1.97 0.00 3.67 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 2.00 2.07 0.00 72 G 8.08 4.06 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 0.00 73 L 8.53 4.23 0.00 1.67 1.83 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.65 4.69 0.00 2.65 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 75 H 7.32 4.66 0.00 3.10 3.20 0.00 5.74 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 76 L 8.00 4.46 0.00 1.61 1.24 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.38 5.05 0.00 3.89 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 78 F 9.34 5.09 0.00 3.16 2.98 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 79 S 8.84 5.04 0.00 3.96 3.95 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 80 V 8.34 4.61 2.30 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 0.86 0.00 0.00 1.06 0.00 0.00 81 E 8.96 4.50 0.00 2.06 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 2.26 0.00 82 S 7.63 4.47 0.00 3.87 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 *84 T 9.00 4.23 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 85 D 7.97 4.30 0.00 2.85 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 86 L 7.77 4.00 0.00 1.66 1.73 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.27 0.00 2.78 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 88 V 7.94 3.50 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 0.92 0.00 0.00 0.88 0.00 0.00 89 L 7.76 3.67 0.00 1.70 1.27 0.84 0.43 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 90 E 8.05 3.25 0.00 2.04 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 2.24 2.32 0.00 91 E 7.99 3.81 0.00 1.96 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 2.22 2.29 0.00 92 R 7.84 3.76 0.00 1.73 1.65 0.00 3.01 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 93 L 7.87 3.71 0.00 0.75 1.23 0.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.85 4.22 1.48 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 0.00 0.00 0.00 95 K 7.88 3.89 0.00 1.79 1.92 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 96 A 7.91 4.36 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 97 G 7.95 3.87 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 0.00 0.00 0.00 98 A 8.19 4.63 1.58 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 0.00 0.00 99 A 8.70 4.55 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 0.00 100 F 8.25 5.21 0.00 3.25 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 0.00 101 T 8.64 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 1.24 0.00 0.00 102 P 0.00 4.65 0.00 2.10 2.13 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 103 T 8.67 4.26 4.36 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 1.44 0.00 0.00 104 Q 9.16 4.76 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 105 E 8.76 4.16 0.00 2.00 1.79 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 1.88 1.47 0.00 106 L 8.32 4.51 0.00 0.88 0.70 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.95 0.00 1.85 2.01 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 108 F 7.53 4.61 0.00 3.23 3.29 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 0.00 109 G 5.63 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.44 5.12 0.00 3.36 3.07 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 0.00 111 I 8.86 4.93 1.98 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 1.30 0.92 1.03 0.00 0.00 112 L 9.29 5.09 0.00 1.86 1.83 1.17 0.87 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 0.00 113 A 8.42 5.35 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 0.00 114 F 9.02 5.60 0.00 3.42 3.26 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 0.00 115 R 8.81 5.08 0.00 1.76 1.78 0.00 3.47 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 116 D 7.92 3.37 0.00 1.58 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 0.00 0.00 0.00 117 A 6.79 3.72 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 0.00 118 D 8.54 4.71 0.00 2.57 2.63 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 0.00 0.00 0.00 119 N 8.11 4.20 0.00 2.89 3.03 0.00 0.00 7.08 7.55 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 0.00 120 I 7.44 2.38 1.81 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 1.06 0.88 0.39 0.00 0.00 121 A 6.82 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.55 4.96 0.00 0.27 0.98 1.13 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.69 5.31 0.00 1.85 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 2.16 2.08 0.00 124 A 9.08 5.75 1.48 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 0.00 0.00 0.00 *126 L 8.36 4.32 0.00 1.93 1.97 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.77 4.31 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 0.00 128 R 8.30 4.56 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.