NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4165 8.1749 117.3740 63.6738 70.0201 172.9003 2 T 4.5382 8.9713 122.3393 60.0007 71.7350 171.4083 3 I 5.1482 9.2407 120.9719 59.2281 41.2274 174.7238 4 V 4.6568 8.9081 116.5279 59.8524 36.5250 174.4547 5 G 4.5365 8.5610 108.1464 44.6939 0.0000 172.3208 6 V 4.6145 9.0671 123.5319 61.1035 35.0792 174.1387 7 K 4.7616 8.8348 127.5308 55.5595 33.5224 175.9970 8 F 5.1077 8.1409 118.0401 54.5461 41.2130 175.7709 9 N 4.1879 8.8815 118.4986 55.7987 37.1571 174.8574 10 N 4.9771 8.8039 116.6469 51.2332 40.1791 174.2439 11 G 3.4647 6.0225 104.9991 45.9707 0.0000 171.9558 12 V 4.9035 7.4982 118.9549 60.5496 34.3890 174.2260 13 V 4.7936 9.1802 121.9841 60.0252 34.7737 174.3320 14 I 5.2111 8.3686 114.9897 59.4990 40.7934 173.8877 15 A 4.8218 8.7173 124.0070 51.2930 23.2115 174.4393 16 A 5.5394 8.3917 119.1041 52.3810 22.3443 175.7296 17 D 4.8207 8.4647 119.3211 52.6525 41.6251 176.5166 18 T 5.0162 8.2098 106.7427 60.4261 70.6581 172.9976 19 R 4.6227 8.0558 123.2172 56.0734 31.1375 175.4959 20 S 4.9892 9.0063 120.8609 56.6674 65.3973 172.6877 21 T 5.1137 8.4429 115.3754 60.1437 72.0932 173.5597 22 Q 4.4474 9.3518 123.9279 54.8168 30.2522 177.0851 23 G 4.0578 8.1278 115.7436 46.4260 0.0000 171.3353 24 P 4.6786 0.0000 0.0000 62.0856 31.7712 174.7393 25 I 4.2530 7.8701 121.3461 59.8271 38.6040 175.2938 26 V 4.2708 8.1958 124.2668 62.1402 30.8979 175.7620 27 A 4.0852 8.5071 131.2634 54.2996 18.8889 176.4368 28 D 4.8926 7.8187 114.1692 52.4546 42.9792 176.6458 29 K 4.3868 8.6360 124.8083 57.2781 32.8874 177.3274 30 N 5.1045 8.0558 115.3793 52.9991 40.2930 172.7148 31 C 4.7296 9.0518 117.1968 55.7565 32.5196 173.7286 32 A 4.4879 8.3612 124.1768 51.6251 19.3530 177.4118 33 K 4.5283 8.6194 120.6282 56.0839 34.0422 175.3551 34 L 5.1031 7.7673 120.8370 53.5953 43.1558 175.5923 35 H 4.9798 9.9339 121.5088 53.9127 32.5887 172.4961 36 R 3.4832 8.0383 121.7777 54.8306 30.5256 175.5596 37 I 4.0082 8.2678 126.9851 62.5794 38.5878 175.5251 38 S 4.6050 7.1738 112.1058 55.4667 65.7281 172.3248 39 P 4.3771 0.0000 0.0000 64.9921 31.2561 177.7332 40 K 4.6929 8.1809 115.0490 55.8686 32.7461 175.0493 41 I 4.8855 7.7891 120.6952 59.6745 39.4781 174.6630 42 W 5.1242 9.0579 126.9408 54.9516 32.4787 174.7585 43 C 5.4379 9.8965 122.3455 57.6216 35.0532 172.3833 44 A 5.3255 9.2346 125.9871 50.1119 21.2701 175.3633 45 G 4.5921 9.2036 109.7675 44.3654 0.0000 171.9610 46 A 4.8883 9.5130 124.8518 49.5329 22.8449 175.2764 47 G 4.0871 8.9802 102.8889 44.9242 0.0000 176.4719 48 T 4.2223 9.7294 124.8338 62.3114 68.6608 174.9293 49 A 4.0071 8.9918 129.5298 55.6040 18.1529 178.9806 50 A 3.9820 7.9721 118.3156 55.2129 18.4534 179.5553 51 D 4.2314 7.8952 117.3112 57.6950 41.0891 178.8325 52 T 3.8537 8.0149 110.3971 64.6915 68.6882 176.1900 53 E 3.6458 8.0999 121.6758 58.7508 29.7389 178.4627 54 A 3.9443 8.1228 121.2744 55.2761 18.4974 180.0511 55 V 3.4894 8.1012 118.0316 65.1568 31.5100 178.3799 56 T 3.7501 7.7752 113.7678 64.9521 67.0852 176.0086 57 Q 4.0214 8.1292 119.7938 58.1455 28.8141 178.2134 58 L 3.8697 7.8294 121.6250 58.2444 42.0926 179.1538 59 I 3.7759 7.6962 119.9070 64.1974 36.9338 178.4764 60 G 3.5634 7.9342 106.5910 48.2323 0.0000 175.5641 61 S 4.0514 8.1871 115.3905 61.3878 62.4698 176.1068 62 N 4.3634 8.1255 119.1261 56.1627 38.1985 177.5320 63 I 3.6594 8.5946 122.4729 64.3214 37.2420 177.8439 64 E 3.9247 8.3925 120.3746 59.5802 29.4816 179.0068 65 L 4.0792 8.0691 118.7166 57.8240 41.4952 179.1251 66 H 4.1435 8.3577 118.5415 59.1634 29.9482 177.0628 67 S 4.2295 8.5370 115.4280 61.6495 61.9624 176.2745 68 L 4.0236 7.7699 120.2178 57.9998 41.4391 178.6145 69 Y 4.1232 7.9959 118.7627 59.8980 38.7738 176.9364 70 T 4.4581 8.3500 108.7426 60.4469 69.0438 174.8569 71 S 3.7491 7.7440 115.5325 59.5354 61.3194 172.0805 72 R 4.7584 7.2814 115.3419 53.8260 33.1696 175.6464 73 E 4.1143 8.6201 119.9931 55.8288 30.0865 175.6318 74 P 4.4587 0.0000 0.0000 62.7080 32.3304 175.9294 75 R 4.8717 8.1681 119.7839 54.2632 32.7207 177.3867 76 V 3.5943 8.9477 121.9330 66.4645 31.4604 179.0558 77 V 3.8388 7.8416 111.1566 64.0737 31.1848 178.7272 78 S 4.0349 8.1081 115.1224 61.4381 62.7640 176.0550 79 A 3.9506 8.0023 122.9422 55.2763 18.0088 179.2771 80 L 3.8723 8.3333 118.9799 58.3997 42.2026 179.0217 81 Q 3.9505 8.2090 119.6683 59.2774 28.9961 178.1529 82 M 4.0338 8.3720 120.1508 58.3328 31.9919 178.4247 83 L 3.9278 8.1744 119.4109 57.7021 41.8718 179.1183 84 K 3.8424 8.1625 119.2982 60.2264 32.0442 178.7792 85 Q 4.1320 8.1784 117.5667 58.7042 28.3714 178.3746 86 H 4.2519 8.1611 119.5996 59.4026 29.8525 177.2314 87 L 4.0466 8.1665 119.7699 57.7254 41.6793 179.1451 88 F 4.1422 8.4041 120.6440 61.0999 39.1516 176.8232 89 K 3.7222 7.6810 117.7338 59.7100 31.9757 177.1420 90 Y 4.2349 7.6233 115.4283 57.9589 38.1448 175.9163 91 Q 2.9490 7.8309 117.4993 56.8799 27.2871 176.3279 *93 G 4.0357 7.7870 106.4995 45.4794 0.0000 174.6822 94 H 4.3468 8.8141 116.8232 56.9179 28.7460 175.4303 95 I 4.2867 7.0170 120.3279 59.2436 37.7398 177.2672 96 G 4.0954 8.5712 118.9580 45.9601 0.0000 171.4710 97 A 5.0050 7.4640 119.9339 50.3771 21.4666 177.6009 98 Y 4.5127 9.0805 120.3911 56.4370 40.9043 174.8027 99 L 5.3534 8.6690 123.4449 52.8542 45.5772 176.5642 100 I 4.5370 8.9169 122.6951 59.7992 39.4312 174.8464 101 V 4.8578 8.4775 127.0028 59.9133 33.4176 174.8452 102 A 4.8156 10.1750 126.1628 49.6256 23.2589 174.5836 103 G 4.6790 7.7319 106.6901 44.6966 0.0000 172.3371 104 V 4.5736 7.5747 113.3216 59.7084 34.8168 176.1357 105 D 4.2325 8.3797 120.2902 54.1210 38.6761 175.2727 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 T 8.17 4.42 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 1.23 0.00 0.00 2 T 8.97 4.54 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 1.22 0.00 0.00 3 I 9.24 5.15 1.91 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 1.38 0.70 0.95 0.00 0.00 4 V 8.91 4.66 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 0.69 0.00 0.00 0.95 0.00 0.00 5 G 8.56 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.61 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.83 4.76 0.00 1.68 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.36 7.81 8 F 8.14 5.11 0.00 3.20 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 9 N 8.88 4.19 0.00 2.89 3.09 0.00 0.00 5.72 8.04 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 10 N 8.80 4.98 0.00 2.71 2.88 0.00 0.00 7.10 7.30 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 11 G 6.02 3.46 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 0.00 12 V 7.50 4.90 1.99 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 0.69 0.00 0.00 1.02 0.00 0.00 13 V 9.18 4.79 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 1.10 0.00 0.00 0.93 0.00 0.00 14 I 8.37 5.21 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.97 0.00 0.00 15 A 8.72 4.82 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 16 A 8.39 5.54 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 17 D 8.46 4.82 0.00 2.70 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 18 T 8.21 5.02 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 19 R 8.06 4.62 0.00 1.80 2.04 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 S 9.01 4.99 0.00 3.91 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 21 T 8.44 5.11 4.42 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 1.21 0.00 0.00 22 Q 9.35 4.45 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 23 G 8.13 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 24 P 0.00 4.68 0.00 2.18 2.15 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 1.91 1.96 0.00 25 I 7.87 4.25 1.97 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 1.18 0.43 0.91 0.00 0.00 26 V 8.20 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 27 A 8.51 4.09 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 28 D 7.82 4.89 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 4.39 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.06 5.10 0.00 2.67 2.68 0.00 0.00 7.03 7.53 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 31 C 9.05 4.73 0.00 3.08 3.11 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 32 A 8.36 4.49 1.27 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 0.00 0.00 0.00 33 K 8.62 4.53 0.00 1.72 1.84 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.45 7.81 34 L 7.77 5.10 0.00 1.59 1.84 0.97 1.02 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 35 H 9.93 4.98 0.00 2.94 3.07 0.00 5.60 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 36 R 8.04 3.48 0.00 0.67 1.13 0.00 3.05 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 37 I 8.27 4.01 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.85 0.00 0.00 38 S 7.17 4.61 0.00 3.75 3.61 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 0.00 0.00 0.00 0.00 39 P 0.00 4.38 0.00 2.14 2.20 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 40 K 8.18 4.69 0.00 1.81 1.95 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 41 I 7.79 4.89 1.86 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 1.24 0.71 1.00 0.00 0.00 42 W 9.06 5.12 0.00 3.30 3.21 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 43 C 9.90 5.44 0.00 2.90 2.79 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 0.00 0.00 0.00 44 A 9.23 5.33 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 45 G 9.20 4.59 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 46 A 9.51 4.89 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 47 G 8.98 4.09 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 0.00 0.00 0.00 48 T 9.73 4.22 4.41 0.00 0.00 0.00 0.00 0.00 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 49 A 8.99 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.98 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 51 D 7.90 4.23 0.00 2.96 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 52 T 8.01 3.85 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 1.32 0.00 0.00 53 E 8.10 3.65 0.00 2.16 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 0.00 2.31 2.34 0.00 54 A 8.12 3.94 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 55 V 8.10 3.49 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 0.79 0.00 0.00 0.92 0.00 0.00 56 T 7.78 3.75 4.43 0.00 0.00 0.00 0.00 0.00 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 57 Q 8.13 4.02 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 58 L 7.83 3.87 0.00 1.76 1.68 0.88 0.90 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 59 I 7.70 3.78 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.87 0.00 0.00 60 G 7.93 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.19 4.05 0.00 3.90 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 62 N 8.13 4.36 0.00 2.87 2.82 0.00 0.00 7.12 7.45 0.00 0.00 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 I 8.59 3.66 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.90 0.00 0.00 64 E 8.39 3.92 0.00 1.99 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 0.00 2.31 2.37 0.00 65 L 8.07 4.08 0.00 1.92 1.73 0.92 0.83 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 66 H 8.36 4.14 0.00 3.27 3.48 0.00 5.60 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 67 S 8.54 4.23 0.00 3.92 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 68 L 7.77 4.02 0.00 1.70 1.75 0.97 0.87 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 69 Y 8.00 4.12 0.00 3.10 3.01 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 70 T 8.35 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 1.17 0.00 0.00 71 S 7.74 3.75 0.00 4.02 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 72 R 7.28 4.76 0.00 1.82 1.81 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 73 E 8.62 4.11 0.00 1.97 1.91 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 2.33 2.30 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 75 R 8.17 4.87 0.00 1.85 1.85 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 8.95 3.59 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 1.05 0.00 0.00 0.99 0.00 0.00 77 V 7.84 3.84 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 0.76 0.00 0.00 0.93 0.00 0.00 78 S 8.11 4.03 0.00 4.03 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 79 A 8.00 3.95 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 80 L 8.33 3.87 0.00 1.84 1.84 0.93 0.68 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 81 Q 8.21 3.95 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.37 4.03 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 83 L 8.17 3.93 0.00 1.81 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.16 3.84 0.00 1.82 2.06 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.51 7.81 85 Q 8.18 4.13 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 86 H 8.16 4.25 0.00 3.42 3.55 0.00 5.79 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 87 L 8.17 4.05 0.00 1.68 1.72 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.40 4.14 0.00 3.28 3.21 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 89 K 7.68 3.72 0.00 1.80 1.73 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.78 1.24 7.81 90 Y 7.62 4.23 0.00 2.97 2.93 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 0.00 0.00 0.00 0.00 91 Q 7.83 2.95 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 *93 G 7.79 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 0.00 0.00 0.00 94 H 8.81 4.35 0.00 3.32 3.39 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.02 4.29 1.80 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 0.83 0.00 0.00 96 G 8.57 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.46 5.01 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 98 Y 9.08 4.51 0.00 3.03 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 99 L 8.67 5.35 0.00 1.52 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.92 4.54 1.93 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 1.34 1.18 0.96 0.00 0.00 101 V 8.48 4.86 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 10.18 4.82 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 0.00 103 G 7.73 4.68 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 0.00 104 V 7.57 4.57 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 0.96 0.00 0.00 105 D 8.38 4.23 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.