NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4252 8.3033 120.1783 56.5225 31.5797 174.0785 3 T 5.0017 8.4816 118.5526 61.3344 71.6265 171.9183 4 L 4.7885 9.1157 125.3079 52.9361 45.4281 175.0098 5 R 4.9676 8.6582 123.8055 54.6982 31.8426 175.1961 6 V 4.5995 8.5383 125.7914 61.1007 34.2898 174.7149 7 S 4.8643 8.6509 121.3798 55.8235 65.6302 175.0253 8 S 4.2014 8.6497 114.6052 60.4476 62.5332 175.0705 9 K 4.3829 7.4523 118.3292 56.4987 33.1754 177.0002 10 S 4.1662 7.6986 116.5053 59.0531 63.4902 174.4991 11 R 4.3947 8.3552 122.5907 54.3775 31.1256 175.4415 12 P 4.2116 0.0000 0.0000 65.9727 31.4366 177.9641 13 N 4.4404 8.1835 114.8712 56.7735 38.8885 176.9029 14 S 4.0529 7.9835 116.0269 61.6516 63.0018 176.6236 15 V 3.5456 7.8512 120.6691 65.8950 31.1811 177.7595 16 A 4.0811 8.5224 121.1198 55.1954 18.1241 179.8470 17 G 2.9374 7.9022 103.9008 47.6129 0.0000 175.8572 18 A 3.9176 7.4864 121.8053 54.8273 18.4555 179.4967 19 I 3.7449 7.8457 117.6067 64.3130 37.4728 178.1637 20 A 4.1558 8.2495 121.7298 55.0713 18.2389 180.2551 21 A 3.9500 7.8187 116.2194 53.3204 18.4684 179.1617 *23 L 4.2643 7.9002 122.4600 56.2800 43.7327 179.7066 24 R 3.9974 8.1452 117.1240 58.8631 30.1624 177.8845 25 T 4.2075 7.5703 106.9530 63.7554 69.3034 176.3030 26 K 4.0556 7.9059 121.8033 55.9517 32.8913 178.9035 27 G 4.1690 9.7391 106.7012 44.4366 0.0000 172.0276 28 E 5.2033 7.0963 115.3956 55.9280 32.7789 175.0011 29 V 4.3232 7.9335 117.3999 61.1537 35.1635 170.9124 30 E 5.1916 8.7763 123.0712 54.4659 32.5148 174.6157 31 V 4.9560 8.8474 126.0109 61.2577 34.5691 174.1632 32 Q 5.3931 9.0855 125.7522 54.3827 32.5055 174.3722 33 A 5.1649 8.9886 122.6341 50.7994 23.3082 175.1161 34 I 4.5384 8.7242 121.7675 60.8115 39.6703 176.7761 35 G 4.0693 9.1635 112.0807 45.1971 0.0000 171.9553 36 P 4.2651 0.0000 0.0000 65.9362 31.2573 179.1169 37 Q 3.9968 8.0813 115.6684 58.9724 28.7166 178.6291 38 A 4.0690 7.9521 121.3791 55.0085 18.4362 179.7374 39 V 3.6750 8.0505 117.0324 65.9622 31.6125 177.7922 40 N 4.2645 8.5421 117.1939 57.0009 38.9043 176.8079 41 Q 3.9944 8.3288 119.3235 58.9015 28.7582 179.0235 42 A 3.8486 7.9388 121.7600 55.0392 18.4489 179.8103 43 V 3.2076 7.7342 116.8526 65.9292 31.5294 178.2943 44 K 3.8811 8.0106 117.9543 59.4295 31.8394 179.0659 45 A 4.1014 7.9065 120.8825 55.3756 18.0757 179.7899 46 I 3.5984 7.4886 116.8559 64.2868 37.1226 178.2595 47 A 4.1122 8.0560 121.6812 55.3159 18.2327 179.8398 48 I 3.6785 8.2655 118.5636 64.3064 37.2796 178.4790 49 A 4.2485 8.4179 122.0601 55.1682 18.2345 179.8519 50 R 4.0611 7.8990 116.7323 59.1923 29.8240 179.2728 51 G 3.6118 7.9823 104.9162 47.4940 0.0000 175.2208 52 Y 4.2302 7.8760 118.2404 60.4533 38.3312 177.1780 53 I 4.3115 7.8867 112.6068 62.4113 38.2248 177.5930 54 A 4.2177 7.7233 124.1499 54.2794 17.9000 177.8223 55 P 4.3208 0.0000 0.0000 64.9538 31.3868 177.3872 56 D 4.7510 8.0399 116.7246 53.2157 41.5420 175.8421 57 N 4.2875 8.3839 115.8912 54.4552 36.3282 173.7095 58 L 5.3046 7.6194 115.2654 53.3277 46.7640 175.7792 59 D 5.1868 9.0848 121.1337 52.7144 45.3101 173.5228 60 L 5.2912 9.1600 118.5682 54.4840 44.0159 175.9608 61 V 4.5848 8.6012 111.6907 59.6168 35.7894 175.0606 62 V 4.9922 8.3915 122.0808 61.1605 35.1532 175.0120 63 K 4.6453 8.7295 124.4902 54.0716 35.4263 174.1567 64 P 4.7527 0.0000 0.0000 62.6043 32.7155 175.1456 65 A 4.3091 7.8504 120.7796 51.0559 22.9988 175.5912 66 F 5.0166 8.4650 118.2680 57.1357 40.6240 175.8834 67 V 4.5469 8.7528 120.1647 60.5411 35.0701 173.1572 68 K 4.7894 8.6800 123.3087 56.0081 32.9837 175.7406 69 L 5.0477 8.8755 126.1740 52.8582 45.9135 174.7326 70 E 5.6378 8.6788 117.4077 53.9826 32.7030 175.8944 71 L 4.4227 8.4261 125.2031 53.5704 44.2054 176.0658 72 E 3.6610 9.5404 127.0130 57.7346 27.9523 175.8615 73 N 4.2427 7.9342 110.7761 54.6854 37.9729 174.8795 74 E 4.4579 7.6645 117.8399 55.7433 31.6010 174.9299 75 E 5.0753 8.5271 120.0450 55.2051 31.3014 176.1216 76 R 4.7625 9.1958 121.9383 54.6067 34.9368 174.4577 77 T 4.5683 8.5712 118.5802 63.2548 69.3154 173.9129 78 A 4.9260 9.5056 127.5638 50.0825 23.4273 174.1799 79 L 4.9734 8.7149 118.9936 52.8027 44.2614 176.2881 80 K 5.0758 8.6644 122.3314 54.9843 36.3305 175.0583 81 F 4.8570 9.4478 120.7596 55.9100 42.0565 174.6454 82 S 4.7700 8.9736 121.6662 57.8554 64.0903 173.3952 83 I 4.9372 8.8082 126.8994 59.3477 39.5332 174.8348 84 K 4.8811 8.8882 127.4533 54.4416 35.2981 174.6256 85 A 4.9677 8.5683 128.7768 51.5869 19.9989 176.3991 86 H 5.1507 9.1469 118.7006 53.1591 32.5887 171.5083 87 P 4.8641 0.0000 0.0000 62.9960 31.6977 176.2296 88 L 4.4346 8.6859 121.6418 55.9208 42.7115 176.8168 89 E 4.2104 7.8138 122.6580 56.6360 30.5771 174.7711 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 E 8.30 4.43 0.00 1.91 1.93 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 2.30 2.30 0.00 3 T 8.48 5.00 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 1.27 0.00 0.00 4 L 9.12 4.79 0.00 1.54 1.52 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.66 4.97 0.00 1.80 1.81 0.00 3.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 6 V 8.54 4.60 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 0.93 0.00 0.00 0.92 0.00 0.00 7 S 8.65 4.86 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 8 S 8.65 4.20 0.00 4.01 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 9 K 7.45 4.38 0.00 1.85 1.95 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 10 S 7.70 4.17 0.00 4.01 3.84 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 11 R 8.36 4.39 0.00 1.85 1.87 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 12 P 0.00 4.21 0.00 2.15 2.12 0.00 3.60 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 2.12 2.17 0.00 13 N 8.18 4.44 0.00 2.81 2.86 0.00 0.00 7.13 7.63 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 14 S 7.98 4.05 0.00 4.02 3.88 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 15 V 7.85 3.55 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 1.05 0.00 0.00 0.95 0.00 0.00 16 A 8.52 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.90 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 0.00 0.00 0.00 18 A 7.49 3.92 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 19 I 7.85 3.74 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.89 0.00 0.00 20 A 8.25 4.16 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 21 A 7.82 3.95 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 *23 L 7.90 4.26 0.00 1.91 1.77 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.15 4.00 0.00 1.96 1.99 0.00 3.15 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 25 T 7.57 4.21 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 1.26 0.00 0.00 26 K 7.91 4.06 0.00 1.93 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.37 7.81 27 G 9.74 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.10 5.20 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 29 V 7.93 4.32 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 0.72 0.00 0.00 0.99 0.00 0.00 30 E 8.78 5.19 0.00 2.06 1.93 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 2.23 2.24 0.00 31 V 8.85 4.96 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 0.94 0.00 0.00 0.93 0.00 0.00 32 Q 9.09 5.39 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 33 A 8.99 5.16 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 34 I 8.72 4.54 1.90 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 1.31 0.75 0.94 0.00 0.00 35 G 9.16 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 0.00 0.00 0.00 36 P 0.00 4.27 0.00 2.19 2.16 0.00 3.63 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 2.14 2.23 0.00 37 Q 8.08 4.00 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 38 A 7.95 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.68 2.35 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 1.21 0.00 0.00 1.08 0.00 0.00 40 N 8.54 4.26 0.00 3.00 2.97 0.00 0.00 7.22 6.56 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 41 Q 8.33 3.99 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 42 A 7.94 3.85 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 43 V 7.73 3.21 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 0.97 0.00 0.00 0.86 0.00 0.00 44 K 8.01 3.88 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 45 A 7.91 4.10 1.40 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 0.00 0.00 0.00 46 I 7.49 3.60 1.81 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 0.84 0.00 0.00 47 A 8.06 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.68 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.98 0.00 0.00 49 A 8.42 4.25 1.43 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 0.00 0.00 0.00 50 R 7.90 4.06 0.00 1.96 1.99 0.00 3.11 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 51 G 7.98 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 0.00 0.00 0.00 52 Y 7.88 4.23 0.00 3.15 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 53 I 7.89 4.31 1.90 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 1.71 1.48 1.00 0.00 0.00 54 A 7.72 4.22 1.42 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 0.00 0.00 55 P 0.00 4.32 0.00 2.05 2.14 0.00 3.75 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 2.03 2.16 0.00 56 D 8.04 4.75 0.00 2.73 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 57 N 8.38 4.29 0.00 2.93 2.90 0.00 0.00 6.77 6.28 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 58 L 7.62 5.30 0.00 1.55 1.50 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.08 5.19 0.00 2.67 2.50 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 60 L 9.16 5.29 0.00 1.62 1.56 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.60 4.58 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 0.57 0.00 0.00 0.75 0.00 0.00 62 V 8.39 4.99 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 1.07 0.00 0.00 0.95 0.00 0.00 63 K 8.73 4.65 0.00 1.71 1.63 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.36 7.81 64 P 0.00 4.75 0.00 1.67 1.72 0.00 3.75 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 1.82 1.88 0.00 65 A 7.85 4.31 1.12 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 0.00 0.00 66 F 8.46 5.02 0.00 2.96 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 67 V 8.75 4.55 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 0.71 0.00 0.00 0.94 0.00 0.00 68 K 8.68 4.79 0.00 1.67 1.81 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 69 L 8.88 5.05 0.00 1.55 1.58 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.68 5.64 0.00 1.80 1.87 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 2.20 2.11 0.00 71 L 8.43 4.42 0.00 1.54 1.55 0.93 1.02 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 72 E 9.54 3.66 0.00 2.30 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 0.00 2.28 2.31 0.00 73 N 7.93 4.24 0.00 2.88 2.98 0.00 0.00 7.24 7.66 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 74 E 7.66 4.46 0.00 1.91 1.87 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 2.31 2.29 0.00 75 E 8.53 5.08 0.00 1.84 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 2.24 2.26 0.00 76 R 9.20 4.76 0.00 1.64 1.77 0.00 3.28 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 77 T 8.57 4.57 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 1.27 0.00 0.00 78 A 9.51 4.93 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 79 L 8.71 4.97 0.00 1.52 1.13 0.88 0.30 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 80 K 8.66 5.08 0.00 1.74 1.81 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.27 7.81 81 F 9.45 4.86 0.00 2.95 2.99 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 82 S 8.97 4.77 0.00 3.79 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 83 I 8.81 4.94 1.99 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 1.17 1.44 0.95 0.00 0.00 84 K 8.89 4.88 0.00 1.84 1.57 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.45 7.81 85 A 8.57 4.97 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 86 H 9.15 5.15 0.00 3.03 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.86 0.00 2.08 2.05 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 88 L 8.69 4.43 0.00 1.71 1.76 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.81 4.21 0.00 1.90 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 2.21 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.