NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5499 8.3049 120.6115 55.4136 33.6900 174.4901 2 I 3.9999 8.2441 127.1707 59.8644 38.6079 169.4729 3 V 4.8781 8.4850 126.8810 61.3243 34.3994 174.1326 4 T 4.8132 8.6213 121.3885 61.2118 70.7501 174.2731 5 T 4.6143 8.9239 116.3853 62.1657 69.8919 175.2511 6 T 4.1563 7.5604 113.1550 61.4319 69.3946 175.7669 7 S 4.2796 8.5865 118.8110 60.8471 63.0385 173.8659 8 G 4.1706 7.6056 107.1938 44.6686 0.0000 171.4949 9 I 4.4125 7.9628 119.5294 59.1051 39.0975 175.6780 10 Q 4.0442 8.5723 126.7738 56.9885 29.4983 176.1183 11 G 4.0414 9.1649 113.3906 45.0811 0.0000 173.2283 12 K 4.5809 7.4746 117.9255 54.2515 35.2312 175.5866 13 E 4.1077 8.6720 123.3097 55.9789 30.0846 176.4552 14 I 4.0088 8.2284 125.2980 60.9300 37.3378 175.6970 15 I 4.2010 7.9705 119.4741 61.8123 38.8848 175.8416 16 E 4.6056 7.5287 123.3012 55.5451 32.9723 173.1667 17 Y 4.4992 8.9126 125.5146 57.8249 38.3428 175.1261 18 I 4.1192 8.6508 126.4263 62.2308 37.6413 175.5755 19 D 4.5223 7.4480 118.2432 53.3540 44.4958 174.2194 20 I 4.4381 8.5339 124.8605 61.4435 37.9432 175.8070 21 V 4.6227 8.9947 119.8174 59.6839 35.1632 174.4781 22 N 5.4857 8.7369 119.5199 51.6410 42.8091 173.9339 23 G 4.3212 9.1146 107.7600 44.8242 0.0000 171.3675 24 E 5.3273 9.0973 120.0822 54.9082 34.2013 174.5670 25 A 4.6847 8.5572 121.2533 50.9487 23.2728 175.1619 26 I 4.7045 8.1233 120.7767 59.3388 39.2196 175.6738 27 M 3.9706 8.1809 125.7676 55.9623 32.4973 176.8640 28 G 4.1906 8.8091 108.3243 45.0861 0.0000 172.9576 29 A 4.5392 8.4724 122.1487 51.2542 20.0639 176.5510 30 N 4.1701 8.7441 118.0284 53.7252 39.3325 174.4767 31 I 4.0692 7.8416 127.6758 62.1814 38.3128 176.2930 32 V 4.3199 7.2366 116.9857 61.8580 35.0170 173.6464 33 R 3.9242 8.1823 123.4689 57.8477 28.9745 177.0882 34 D 4.7339 8.6323 126.2949 55.9246 40.9225 174.7971 35 L 4.8857 8.1258 121.9549 53.7435 43.2254 175.7563 36 F 5.1956 9.6496 122.3497 55.2974 42.7036 174.6078 37 A 4.4732 9.1136 124.7134 51.4648 19.7938 177.0592 38 S 4.3428 8.8095 115.9774 58.7383 63.0358 175.6372 39 V 3.6387 8.6602 125.8549 65.4352 31.7639 176.4400 *44 G 3.7818 7.8077 107.9352 45.3200 0.0000 173.4290 45 G 3.7826 7.8889 106.2523 44.8154 0.0000 173.0953 46 R 4.5493 8.2059 120.5523 53.8451 32.1382 176.2493 47 A 4.3588 8.4636 123.9582 52.7125 19.4969 177.3405 48 G 4.2165 8.5984 105.8354 45.8611 0.0000 172.8808 49 S 5.1222 8.6700 114.4367 57.7902 64.3735 174.8914 50 Y 3.3124 9.0461 120.8635 60.9963 38.3583 178.2854 51 E 4.0121 8.2374 118.7793 59.3075 29.6217 179.4182 52 S 4.1187 8.1083 115.3236 61.6471 62.8975 176.9039 53 K 3.9596 7.9835 121.1754 59.0713 31.6917 179.2137 54 L 3.7567 7.7973 120.6980 58.0167 41.9784 178.7970 55 K 3.8752 8.0456 119.5282 59.4941 32.0509 178.0799 56 E 3.8727 8.2416 119.1443 59.3806 29.5076 178.6816 57 A 3.9645 8.1206 120.7952 55.2118 18.3836 179.5943 58 R 3.8185 8.1849 117.2167 59.5075 30.1542 178.4548 59 D 4.3413 8.4208 119.0778 57.4041 40.7728 178.8290 60 I 3.6661 7.8997 119.9707 64.2669 37.2515 178.1461 61 A 3.9424 8.2377 121.9512 55.5593 18.1949 179.4066 62 M 3.9697 8.1814 116.5637 58.7909 32.3020 178.1794 63 D 4.3080 8.1559 119.0410 57.3891 41.0290 178.1900 64 E 3.9195 8.3384 119.9588 59.4993 29.4481 178.7052 65 M 3.9464 7.9434 117.6695 58.5860 32.3298 178.0801 66 K 3.8304 7.9435 118.6926 59.5685 32.3313 178.5442 67 E 3.8942 8.7025 119.5824 59.4954 29.3734 178.7891 68 L 3.9607 7.9518 119.8816 57.9135 42.1228 178.6868 69 A 3.9884 8.1635 120.9918 55.1830 18.2662 179.8341 70 K 4.1141 8.4154 117.6238 59.5906 31.9338 179.6831 71 Q 4.0547 7.7961 116.2617 58.6656 28.4547 177.6531 72 K 4.4392 7.6068 119.0316 55.5491 32.1433 176.7600 73 G 3.8466 8.0956 106.7803 46.4872 0.0000 174.2514 74 A 4.4912 7.8232 121.8417 51.2872 19.5876 177.8283 75 N 5.1300 8.0676 116.4328 52.0444 38.4501 173.9590 76 A 4.7186 7.5381 117.9582 51.6807 22.8179 175.8840 77 I 4.9773 8.5958 121.3017 59.6464 40.5622 175.3607 78 V 4.6781 8.5521 119.3064 59.0760 36.0399 175.3736 79 G 4.1548 8.8984 108.0288 46.6352 0.0000 174.4700 80 V 4.1263 7.7922 118.8221 62.8314 33.0458 174.3145 81 D 4.8148 9.1184 125.1934 52.7660 45.1143 173.7640 82 V 4.6730 8.4003 124.2896 61.1624 33.8227 174.2368 83 D 5.0702 8.7988 127.0721 52.6553 44.4585 174.5000 84 Y 5.2151 8.3221 118.0238 56.5345 41.8036 174.6348 85 E 4.7592 8.7316 121.5119 55.0953 33.8096 174.3420 86 V 3.9678 8.5610 126.9685 62.1874 32.1982 175.7777 87 V 4.4158 8.2018 120.4715 60.7573 31.3829 178.4665 88 R 3.9886 8.7978 122.7548 58.5286 27.7303 175.0995 89 D 4.1757 9.4291 122.7741 55.8014 37.9308 171.1789 90 G 3.6266 8.4539 109.1309 44.4828 0.0000 168.6847 91 M 4.2552 7.5420 118.1224 54.8765 36.2517 173.9683 92 L 4.4713 8.0876 128.0050 53.7799 42.9169 174.8610 93 M 4.6442 8.4446 125.8722 55.8120 33.3581 175.1477 94 V 4.6990 8.5423 125.4249 60.1368 34.5284 174.7239 95 A 5.0958 8.5936 124.0337 50.3569 22.7046 175.2581 96 V 4.9630 9.1591 122.3682 59.8118 34.4955 174.9755 97 S 5.1245 8.8128 117.4433 57.0125 66.8912 172.7850 98 G 4.2883 8.1982 105.9159 46.3649 0.0000 172.3187 99 T 4.9953 8.5912 117.5943 61.4605 70.7718 173.9043 100 A 4.7450 8.9767 130.0856 51.7116 19.8911 176.6248 101 V 4.7736 9.1899 115.1933 59.5435 36.9095 174.4005 102 R 4.9441 8.9091 123.8684 54.6973 31.6990 176.4831 103 I 4.2091 9.3079 119.8646 61.0405 37.6410 175.1089 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 M 8.30 4.55 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 2 I 8.24 4.00 1.85 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 1.22 0.54 0.90 0.00 0.00 3 V 8.49 4.88 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 0.77 0.00 0.00 0.92 0.00 0.00 4 T 8.62 4.81 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 1.27 0.00 0.00 5 T 8.92 4.61 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 1.22 0.00 0.00 6 T 7.56 4.16 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 7 S 8.59 4.28 0.00 3.90 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 8 G 7.61 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 9 I 7.96 4.41 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.90 0.00 0.00 10 Q 8.57 4.04 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 11 G 9.16 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 12 K 7.47 4.58 0.00 1.66 1.66 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 13 E 8.67 4.11 0.00 1.94 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 2.32 0.00 14 I 8.23 4.01 1.63 0.00 0.00 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 1.25 0.35 0.06 0.00 0.00 15 I 7.97 4.20 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.90 0.00 0.00 16 E 7.53 4.61 0.00 2.01 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 2.32 2.34 0.00 17 Y 8.91 4.50 0.00 2.85 2.92 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 18 I 8.65 4.12 1.98 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 1.12 0.59 0.92 0.00 0.00 19 D 7.45 4.52 0.00 2.71 2.44 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 20 I 8.53 4.44 1.88 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 1.36 0.67 0.98 0.00 0.00 21 V 8.99 4.62 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 0.92 0.00 0.00 1.00 0.00 0.00 22 N 8.74 5.49 0.00 2.53 2.68 0.00 0.00 6.67 7.65 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 23 G 9.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 5.33 0.00 1.78 1.95 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 2.21 2.27 0.00 25 A 8.56 4.68 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 26 I 8.12 4.70 1.87 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 1.35 0.69 0.92 0.00 0.00 27 M 8.18 3.97 0.00 1.78 2.12 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 28 G 8.81 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 0.00 0.00 0.00 0.00 29 A 8.47 4.54 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 30 N 8.74 4.17 0.00 2.69 2.69 0.00 0.00 6.96 7.94 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 31 I 7.84 4.07 1.88 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 1.32 0.65 0.86 0.00 0.00 32 V 7.24 4.32 2.02 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 0.82 0.00 0.00 0.89 0.00 0.00 33 R 8.18 3.92 0.00 1.90 1.29 0.00 3.34 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 34 D 8.63 4.73 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 35 L 8.13 4.89 0.00 1.73 1.48 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.65 5.20 0.00 3.07 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 37 A 9.11 4.47 1.33 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 38 S 8.81 4.34 0.00 4.06 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 39 V 8.66 3.64 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 0.82 0.00 0.00 0.91 0.00 0.00 *44 G 7.81 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.89 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.21 4.55 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 47 A 8.46 4.36 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 48 G 8.60 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 0.00 0.00 0.00 0.00 49 S 8.67 5.12 0.00 4.02 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 50 Y 9.05 3.31 0.00 2.84 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 51 E 8.24 4.01 0.00 2.08 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 2.42 2.47 0.00 52 S 8.11 4.12 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 53 K 7.98 3.96 0.00 1.89 1.66 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 54 L 7.80 3.76 0.00 1.63 1.79 0.88 0.46 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 55 K 8.05 3.88 0.00 1.88 2.05 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 56 E 8.24 3.87 0.00 2.07 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 0.00 2.30 2.33 0.00 57 A 8.12 3.96 1.33 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 58 R 8.18 3.82 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 59 D 8.42 4.34 0.00 2.95 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 60 I 7.90 3.67 1.99 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 1.45 0.59 0.90 0.00 0.00 61 A 8.24 3.94 1.33 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 62 M 8.18 3.97 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 63 D 8.16 4.31 0.00 3.01 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 64 E 8.34 3.92 0.00 2.19 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 2.30 2.32 0.00 65 M 7.94 3.95 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 66 K 7.94 3.83 0.00 1.99 1.85 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 67 E 8.70 3.89 0.00 2.17 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 0.00 2.31 2.33 0.00 68 L 7.95 3.96 0.00 1.81 1.80 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.16 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.11 0.00 1.78 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 71 Q 7.80 4.05 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.29 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 72 K 7.61 4.44 0.00 1.93 1.87 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.44 7.81 73 G 8.10 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 74 A 7.82 4.49 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 75 N 8.07 5.13 0.00 2.66 2.84 0.00 0.00 6.70 7.98 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 76 A 7.54 4.72 1.19 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 0.00 0.00 0.00 77 I 8.60 4.98 1.86 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 1.22 0.72 0.92 0.00 0.00 78 V 8.55 4.68 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 0.71 0.00 0.00 1.01 0.00 0.00 79 G 8.90 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.13 2.17 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 0.90 0.00 0.00 0.93 0.00 0.00 81 D 9.12 4.81 0.00 2.77 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 0.00 0.00 0.00 0.00 82 V 8.40 4.67 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 0.39 0.00 0.00 0.90 0.00 0.00 83 D 8.80 5.07 0.00 2.47 2.45 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 0.00 0.00 0.00 0.00 84 Y 8.32 5.22 0.00 2.82 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 85 E 8.73 4.76 0.00 2.13 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 2.24 2.31 0.00 86 V 8.56 3.97 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 0.88 0.00 0.00 0.98 0.00 0.00 87 V 8.20 4.42 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 0.80 0.00 0.00 1.03 0.00 0.00 88 R 8.80 3.99 0.00 1.93 2.03 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 89 D 9.43 4.18 0.00 2.78 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 90 G 8.45 3.63 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 0.00 0.00 0.00 91 M 7.54 4.26 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 92 L 8.09 4.47 0.00 1.90 1.55 1.07 0.98 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 93 M 8.44 4.64 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 94 V 8.54 4.70 1.88 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 0.70 0.00 0.00 0.63 0.00 0.00 95 A 8.59 5.10 1.14 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 96 V 9.16 4.96 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 0.90 0.00 0.00 0.97 0.00 0.00 97 S 8.81 5.12 0.00 3.83 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 98 G 8.20 4.29 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 0.00 99 T 8.59 5.00 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 1.36 0.00 0.00 100 A 8.98 4.75 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 0.00 101 V 9.19 4.77 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 0.65 0.00 0.00 0.89 0.00 0.00 102 R 8.91 4.94 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 103 I 9.31 4.21 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.