NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3997 8.3344 116.7960 58.3613 64.8557 173.5647 2 L 3.7875 8.1496 122.3686 54.4072 43.1206 173.9948 3 S 4.8220 9.4421 122.1070 56.5718 64.0597 172.3111 4 I 4.6333 8.3338 127.8610 60.5863 40.9336 175.4509 5 G 4.2433 9.8314 108.6500 44.1481 0.0000 171.8073 6 R 4.7475 9.1674 117.2536 55.7105 33.2704 176.1151 7 T 4.4843 8.5432 107.8479 62.6547 70.3193 173.8581 8 C 5.2047 7.6342 122.6646 57.9785 34.3946 172.8352 9 W 4.9681 9.7200 125.8518 54.7208 32.8303 174.1699 10 A 5.2610 8.8304 124.2542 50.2097 21.4281 175.4002 11 I 4.4166 9.1516 123.0904 59.4960 38.9995 176.7072 12 A 4.0014 8.8167 130.4101 53.4106 18.8782 176.3370 13 E 4.5793 7.2954 115.8566 54.3281 32.6991 175.3869 14 G 2.9608 7.6084 107.8018 45.2451 0.0000 171.7920 15 Y 5.0020 7.3722 120.6688 57.5142 42.1552 172.6230 16 I 4.0751 7.9635 128.3182 60.3965 38.8682 174.0634 17 P 4.2048 0.0000 0.0000 63.7252 30.1402 175.3980 *25 P 4.3098 0.0000 0.0000 61.2769 33.9737 176.0681 26 Q 4.3029 7.4758 116.9924 54.3981 29.7214 173.4400 27 F 5.2998 8.0746 121.5731 56.7026 43.0311 173.8088 28 I 4.7493 8.2555 114.5982 59.6911 40.5789 175.8854 29 S 4.7877 8.4508 118.4661 57.4294 63.0399 173.5367 30 H 4.5570 7.9258 117.4919 54.7760 29.7673 175.7391 31 E 4.2122 8.9622 122.6672 57.5152 30.5088 175.9720 32 T 4.8799 8.5929 120.7507 61.6186 72.4438 172.9634 33 V 4.3275 8.5457 126.9552 61.9259 33.2197 174.1713 34 C 4.8173 9.0267 126.4708 58.3111 29.9516 172.7411 35 I 4.7590 8.6492 124.9584 59.1933 40.1983 174.2769 36 L 4.7400 8.8202 128.2581 53.3248 45.0686 174.6366 37 N 5.0111 9.3660 126.1724 52.1427 39.1931 174.6736 38 A 4.3240 8.6237 127.2151 52.2915 19.4745 177.5026 39 G 3.9964 7.9929 106.1166 44.2585 0.0000 174.2364 40 D 4.6856 8.4239 117.0165 54.3673 41.2991 176.2467 41 E 4.7743 7.6406 119.9938 53.8460 32.3102 175.1964 42 D 4.7252 8.8374 125.4734 54.7033 42.0267 175.6028 43 A 4.5481 9.1630 124.7132 51.1120 20.2284 176.3575 44 H 4.9025 9.4284 121.9511 55.3082 29.1600 174.8985 45 V 4.3666 8.7841 124.4312 61.9585 33.6029 174.6029 46 E 5.1268 9.3238 125.5982 54.8508 33.2025 174.5096 47 I 4.9763 9.1876 126.3320 60.1857 39.5554 174.8227 48 T 5.1105 9.1296 123.7351 61.8925 71.2537 173.2001 49 I 4.8179 8.7668 127.1549 59.8249 39.5685 174.3085 50 Y 4.8607 9.0281 124.2076 56.4084 41.1447 174.3551 51 Y 5.3283 8.4676 118.6695 56.0432 41.7267 175.9889 52 S 4.3804 9.1257 115.5914 61.2031 63.4049 175.2964 53 D 4.8074 8.0510 116.9432 52.8254 40.3743 174.1967 54 K 4.6182 7.7806 117.1321 55.7780 35.3769 175.2215 55 E 4.2219 8.4945 119.1289 55.3684 29.9566 175.5976 56 P 4.4461 0.0000 0.0000 62.7922 32.0971 175.6817 57 V 4.3142 9.7730 119.8125 59.7461 33.5639 176.3508 58 G 3.5535 7.9761 113.3269 44.5922 0.0000 169.2361 59 P 4.7270 0.0000 0.0000 62.8770 32.4817 175.7313 60 Y 4.5606 9.2874 121.9820 57.1731 38.8558 174.6203 61 R 5.2644 8.5161 123.8186 54.8224 32.3067 175.5449 62 L 4.5435 8.2840 120.8614 55.4091 44.2953 173.5637 63 T 5.0377 8.4981 116.2027 61.8045 71.5523 173.6995 64 V 4.2776 8.6649 126.5915 60.4074 33.1904 173.4641 65 P 4.8805 0.0000 0.0000 62.0603 32.2934 176.1472 66 A 3.9121 8.7499 123.1221 53.3669 18.6926 178.2024 67 R 3.8599 8.4154 121.8704 57.2507 28.5122 175.9926 68 R 4.7811 7.8485 113.6599 55.0099 35.3208 175.1358 69 T 4.9979 8.3448 114.6309 60.6988 70.3344 173.1788 70 K 4.6233 8.9283 125.2899 55.4699 36.2195 174.0288 71 H 5.1990 8.8460 124.0168 54.1426 30.8069 173.9468 72 V 4.2246 8.9486 124.5645 61.0253 33.8041 174.7165 73 R 4.6625 8.3345 127.3571 55.0212 31.2494 177.4428 74 F 4.0914 8.8275 122.5770 60.5366 39.2120 177.0885 75 N 4.2846 8.4265 117.8757 56.6708 38.6332 174.9651 76 D 4.6237 7.9592 115.4475 54.8213 41.4608 176.5174 77 L 4.3762 7.7800 121.4834 54.5741 42.1243 177.3019 78 N 5.1309 8.7865 116.0395 52.7574 40.8504 173.4812 79 D 4.7714 8.1874 119.7977 51.7413 42.6481 174.3536 80 P 4.2581 0.0000 0.0000 64.4767 31.9881 175.9493 81 A 4.4803 7.0797 118.5909 50.6232 21.5610 174.1621 82 P 4.9391 0.0000 0.0000 62.0313 32.1104 176.2576 83 I 4.1986 8.0315 121.8613 59.2824 37.8838 174.4577 84 P 4.3205 0.0000 0.0000 63.2855 31.5233 175.9578 85 H 4.4813 8.6511 118.1671 55.2607 29.8044 173.7294 86 D 4.1342 9.0133 116.9371 54.2804 40.1294 173.3713 87 T 4.8598 7.3297 111.9321 61.3924 72.5911 173.6251 88 D 5.0086 9.1989 127.1019 54.5967 41.6110 175.4875 89 F 5.1425 8.5057 117.3544 55.6424 41.8426 172.7332 90 A 4.9064 9.1398 119.7902 50.4014 23.0836 175.0963 91 S 5.8909 9.1297 112.4441 56.2595 67.1115 173.0947 92 V 4.8556 8.7718 121.0537 61.3130 34.3732 174.1026 93 I 4.9854 9.6044 129.4506 60.0181 39.5252 174.4691 94 Q 5.3447 9.0229 126.5411 54.4318 31.6187 175.0062 95 S 5.3044 9.0660 115.7655 56.4228 65.3046 173.9557 96 N 4.6317 9.0518 122.7277 55.1188 37.7421 175.3491 97 V 4.5710 7.4920 110.9668 58.2197 35.3667 173.4497 98 P 4.7065 0.0000 0.0000 63.3770 31.8241 175.6405 99 I 4.8941 8.9796 115.8407 59.4481 41.9643 173.6942 100 V 4.4500 8.6862 123.0240 61.0383 33.6270 174.4459 101 V 4.4442 5.7085 126.6753 60.8478 33.9895 174.1900 102 Q 4.6505 8.9084 128.0295 54.4567 32.8863 173.1305 103 H 5.4365 8.6604 118.7825 54.0847 31.6586 173.4433 104 T 4.2389 8.7397 116.7719 63.8637 68.9315 173.7621 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 4.40 0.00 3.88 3.79 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 2 L 8.15 3.79 0.00 1.81 1.56 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.44 4.82 0.00 3.84 3.76 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 4 I 8.33 4.63 1.92 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 1.37 0.81 0.96 0.00 0.00 5 G 9.83 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 0.00 0.00 0.00 0.00 6 R 9.17 4.75 0.00 1.64 1.83 0.00 2.26 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.61 0.00 7 T 8.54 4.48 4.47 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 0.00 0.00 0.00 1.24 0.00 0.00 8 C 7.63 5.20 0.00 2.94 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 9 W 9.72 4.97 0.00 3.29 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 10 A 8.83 5.26 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 9.15 4.42 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.70 0.00 0.00 12 A 8.82 4.00 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 7.30 4.58 0.00 1.83 1.70 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 2.08 2.22 0.00 14 G 7.61 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 0.00 0.00 0.00 15 Y 7.37 5.00 0.00 2.95 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 16 I 7.96 4.08 1.65 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 1.48 0.96 0.64 0.00 0.00 17 P 0.00 4.20 0.00 2.24 2.10 0.00 3.76 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 2.00 2.05 0.00 *25 P 0.00 4.31 0.00 2.03 2.17 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 26 Q 7.48 4.30 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 27 F 8.07 5.30 0.00 3.03 2.77 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 28 I 8.26 4.75 2.01 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 1.49 0.61 1.00 0.00 0.00 29 S 8.45 4.79 0.00 3.85 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 30 H 7.93 4.56 0.00 3.14 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.96 4.21 0.00 2.21 2.46 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 2.52 2.55 0.00 32 T 8.59 4.88 4.20 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 0.00 0.00 0.00 1.16 0.00 0.00 33 V 8.55 4.33 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 0.82 0.00 0.00 0.35 0.00 0.00 34 C 9.03 4.82 0.00 2.66 2.58 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 35 I 8.65 4.76 1.80 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 0.95 0.67 0.87 0.00 0.00 36 L 8.82 4.74 0.00 1.64 1.41 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.37 5.01 0.00 2.82 2.94 0.00 0.00 6.66 8.78 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 38 A 8.62 4.32 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 7.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.69 0.00 2.68 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 41 E 7.64 4.77 0.00 1.92 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 2.13 2.27 0.00 42 D 8.84 4.73 0.00 2.58 2.61 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 43 A 9.16 4.55 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 44 H 9.43 4.90 0.00 3.09 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.78 4.37 2.25 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 0.99 0.00 0.00 0.96 0.00 0.00 46 E 9.32 5.13 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 2.31 0.00 47 I 9.19 4.98 1.98 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 1.30 0.81 1.01 0.00 0.00 48 T 9.13 5.11 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 0.75 0.00 0.00 49 I 8.77 4.82 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.20 0.00 0.00 50 Y 9.03 4.86 0.00 2.84 2.83 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 51 Y 8.47 5.33 0.00 3.03 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 52 S 9.13 4.38 0.00 4.04 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 8.05 4.81 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 7.78 4.62 0.00 1.81 1.75 0.00 1.05 0.00 0.00 1.51 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.34 7.81 55 E 8.49 4.22 0.00 2.00 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 2.26 0.00 56 P 0.00 4.45 0.00 1.70 1.00 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 57 V 9.77 4.31 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 1.02 0.00 0.00 1.07 0.00 0.00 58 G 7.98 3.55 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 0.00 0.00 0.00 59 P 0.00 4.73 0.00 2.12 2.17 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 60 Y 9.29 4.56 0.00 2.96 2.97 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 61 R 8.52 5.26 0.00 1.70 1.86 0.00 3.24 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 62 L 8.28 4.54 0.00 1.69 1.74 0.92 1.10 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 63 T 8.50 5.04 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 8.66 4.28 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 0.98 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.88 0.00 1.98 1.98 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 66 A 8.75 3.91 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 67 R 8.42 3.86 0.00 1.98 2.00 0.00 3.11 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 68 R 7.85 4.78 0.00 1.84 1.74 0.00 3.23 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 69 T 8.34 5.00 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 1.20 0.00 0.00 70 K 8.93 4.62 0.00 1.80 1.54 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.40 7.81 71 H 8.85 5.20 0.00 2.98 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.95 4.22 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 0.63 0.00 0.00 0.84 0.00 0.00 73 R 8.33 4.66 0.00 2.03 1.82 0.00 3.07 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 F 8.83 4.09 0.00 3.21 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 75 N 8.43 4.28 0.00 2.75 2.93 0.00 0.00 6.98 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 7.96 4.62 0.00 2.83 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 77 L 7.78 4.38 0.00 1.90 1.40 0.85 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 5.13 0.00 2.82 2.91 0.00 0.00 5.88 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 8.19 4.77 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 80 P 0.00 4.26 0.00 2.04 1.96 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 81 A 7.08 4.48 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 82 P 0.00 4.94 0.00 2.09 2.04 0.00 3.74 0.00 0.00 2.43 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 8.03 4.20 1.63 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.32 0.32 0.00 0.00 84 P 0.00 4.32 0.00 2.16 2.02 0.00 3.79 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 1.98 1.80 0.00 85 H 8.65 4.48 0.00 3.09 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.01 4.13 0.00 2.73 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 87 T 7.33 4.86 4.57 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 1.43 0.00 0.00 88 D 9.20 5.01 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 2.77 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 90 A 9.14 4.91 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 9.13 5.89 0.00 4.07 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 92 V 8.77 4.86 2.40 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 1.21 0.00 0.00 0.93 0.00 0.00 93 I 9.60 4.99 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.97 0.00 0.00 94 Q 9.02 5.34 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 95 S 9.07 5.30 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.05 4.63 0.00 2.78 2.97 0.00 0.00 5.86 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 7.49 4.57 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 0.72 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.71 0.00 2.09 2.14 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 8.98 4.89 1.94 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 0.87 1.02 0.00 0.00 100 V 8.69 4.45 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 0.84 0.00 0.00 1.02 0.00 0.00 101 V 5.71 4.44 0.68 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 0.62 0.00 0.00 0.42 0.00 0.00 102 Q 8.91 4.65 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 103 H 8.66 5.44 0.00 3.22 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.74 4.24 4.20 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 0.00 0.00 0.00 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.