NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2921 8.1733 120.0849 55.8616 35.1953 174.5967 4 I 4.6348 7.5755 120.4458 58.4684 39.2085 172.5744 5 R 4.9609 8.8160 128.0815 54.6188 32.6001 174.7931 6 I 4.8108 8.0222 116.9517 59.2928 40.3344 174.0071 7 K 4.6456 8.2188 124.7051 55.1722 33.7465 176.0195 8 L 5.2986 8.7752 123.8384 52.3743 45.5498 175.7683 9 R 4.3861 8.6559 123.2557 56.3370 33.9763 174.2738 10 G 3.6438 8.6339 112.9829 45.2709 0.0000 172.7358 11 F 5.3491 8.6195 114.8238 56.7555 41.2645 174.1486 12 D 4.9806 7.9652 121.3377 52.5491 42.8702 175.3788 13 H 4.7169 8.5289 122.5722 56.0086 29.5318 176.3117 14 K 4.4280 7.8390 118.4546 59.3012 34.5208 179.2383 15 T 3.9226 8.2334 108.7982 63.7329 69.0262 175.1892 16 L 4.7150 7.6973 122.9138 54.9171 41.9702 175.6744 17 D 4.5712 7.7206 114.2073 55.3225 42.8797 176.8759 18 A 4.3196 8.4491 120.4232 53.2867 17.4912 178.0718 19 S 4.4294 7.6628 109.6053 58.7432 64.0972 175.5511 20 A 4.5244 7.5470 120.4450 51.8695 18.9524 176.6787 21 Q 4.4180 7.7937 116.8059 56.4674 30.5375 176.6850 22 K 4.1186 7.9695 118.7396 59.9915 32.7074 179.5895 23 I 4.2234 6.7964 117.3584 60.4909 34.6018 176.7624 24 V 4.5009 7.5668 117.4285 63.0795 36.2369 174.7395 25 E 4.1959 8.7371 116.9480 56.0583 30.5891 175.9965 26 A 4.7797 7.5605 121.5167 51.0576 19.8308 175.9213 27 A 4.5865 7.6058 123.4720 54.9063 25.4054 179.1978 28 R 4.2069 7.5936 111.5822 57.3584 29.8175 176.9705 29 R 4.5467 7.8200 117.0115 55.9915 30.9229 175.3022 30 S 4.4970 8.7078 110.2928 59.8061 64.5749 174.1034 31 G 4.2552 7.2780 107.7750 43.4154 0.0000 175.8903 32 A 3.7744 7.0942 116.7406 48.3990 22.0761 180.3990 33 Q 4.4569 8.5042 122.3719 56.4352 32.5120 172.8860 34 V 4.0721 8.5077 125.3531 61.8818 32.3973 175.3480 35 S 4.1424 9.5538 124.1755 59.5450 62.9098 173.7486 36 G 3.8675 8.0443 114.2058 41.0000 0.0000 170.3116 37 P 4.8282 0.0000 0.0000 61.8913 31.9322 176.0125 38 I 4.7098 8.5786 118.8847 58.3178 40.7601 172.5554 39 P 5.1471 0.0000 0.0000 61.1075 32.5439 175.0690 40 L 4.3989 8.2592 125.4007 54.3316 41.8465 174.6807 41 P 4.0492 0.0000 0.0000 61.3266 30.3694 175.7178 42 T 3.9020 8.4446 120.8787 64.1791 68.9753 174.1510 43 R 4.4282 8.7334 125.8924 55.2417 32.0262 175.5226 44 V 4.5471 8.2639 122.5498 61.2567 33.3010 175.6651 45 R 4.3496 8.5530 128.4610 54.5568 29.8983 175.0062 46 R 3.8826 7.5949 122.8997 54.4700 32.1477 175.4924 47 F 4.6542 7.8096 108.7453 56.9847 41.1188 173.3967 48 T 4.8360 8.8914 121.3080 62.6644 70.1162 175.0019 49 V 4.6159 8.0287 122.6024 59.8980 34.9811 174.4494 50 I 3.8560 8.5320 118.5407 60.9106 37.2386 175.4053 51 R 3.9145 8.0249 122.9229 57.3938 30.5345 177.0037 52 G 4.1657 7.8930 110.2878 45.0344 0.0000 171.5057 53 P 4.3623 0.0000 0.0000 65.4557 31.1502 177.1495 54 F 4.6608 7.6321 121.0824 57.2142 39.9253 174.5396 55 K 4.0377 7.5702 116.3728 57.0623 35.2348 176.2339 56 H 4.8346 8.4237 122.5994 57.3280 30.4721 175.8831 57 K 4.4239 7.2587 119.7300 59.1307 33.3351 176.9460 58 D 4.5983 8.0466 120.3580 56.0740 42.4837 178.3394 59 S 3.5896 7.5055 105.3867 59.4858 60.9124 172.0427 60 R 4.6807 7.3741 129.7978 56.3188 33.2614 174.3689 61 E 4.5654 8.1075 119.5213 56.2136 33.2729 175.0927 62 H 4.4593 8.3318 121.4225 54.0121 31.8071 173.0570 63 F 5.0423 7.9100 117.2979 57.3041 42.1452 172.1141 64 E 4.9198 8.6394 118.2567 57.0078 32.0698 174.6393 65 L 4.2551 8.0442 120.6897 54.0438 44.2196 176.1392 66 R 4.5285 8.1598 128.0900 55.0556 28.3600 175.1007 67 T 4.3813 8.4433 115.7044 62.6990 68.8313 174.1987 68 H 4.9250 8.5130 126.7834 56.8025 30.7736 174.1804 69 N 4.6480 8.5065 112.0850 53.8797 42.5897 173.8969 70 R 4.9167 8.1237 120.1546 55.5872 34.3334 173.2559 71 L 5.3071 9.1757 125.2712 53.6751 46.5921 175.7968 72 V 4.5085 8.1169 121.7334 62.4906 34.9195 172.0867 73 D 5.3307 9.6008 129.2803 52.7739 43.6071 175.8337 74 I 4.6821 8.2060 115.1391 58.4865 40.1129 175.6687 75 I 4.1242 7.6062 123.6554 60.3799 37.2223 176.9549 76 N 4.2985 7.6601 116.0273 53.9332 40.9183 172.1194 77 P 4.4831 0.0000 0.0000 61.5385 31.0801 175.1728 78 N 5.1338 8.5379 120.8259 50.7970 40.5321 175.5970 79 R 4.0210 8.4631 115.9829 58.8661 30.5209 178.5936 80 K 4.0517 8.1140 118.5576 59.6917 31.9767 177.7331 81 T 4.1615 7.7861 107.9739 64.3928 68.6093 176.1663 82 I 3.7278 7.5218 120.0795 61.4986 37.7234 176.1102 83 E 4.3882 9.5875 122.2388 58.3418 30.4854 178.0688 84 Q 4.3084 8.0309 112.9612 56.1860 28.5506 175.9926 85 L 4.4435 7.6431 116.9143 55.0725 44.1028 177.7866 86 M 4.1568 8.5346 127.8868 58.2081 33.9439 177.6451 87 T 4.2739 6.9838 106.6290 61.8396 68.8189 178.2140 88 L 3.4197 7.8670 116.0500 56.1601 39.3989 174.7496 89 D 4.7122 7.6036 121.8196 53.8830 41.9072 177.3977 90 L 4.8742 8.1509 126.9329 53.8356 43.3624 176.2918 91 P 4.5398 0.0000 0.0000 63.7359 30.3632 177.6056 92 T 3.5742 6.9126 119.4993 65.1709 69.2842 175.0803 93 G 4.0467 7.5796 104.0571 46.4153 0.0000 172.6856 94 V 3.9724 7.4327 120.6327 61.9258 33.1010 174.7206 95 E 4.7232 8.5194 123.3325 54.2171 31.9511 174.6502 96 I 4.7130 8.1669 119.6582 59.7539 40.8121 173.9991 97 E 4.7917 8.0593 119.8813 55.7833 34.6441 174.4876 98 I 4.8382 8.2478 121.1616 59.6762 40.4959 175.1643 99 K 4.9226 8.9824 125.2712 54.7269 36.6498 175.1875 100 T 5.7347 8.1859 113.0347 59.7590 71.6662 174.9838 *101 V 3.9074 8.4161 120.9857 61.0648 32.4044 172.7990 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 3 K 8.17 4.29 0.00 1.73 1.91 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 I 7.58 4.63 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 1.11 1.59 0.96 0.00 0.00 5 R 8.82 4.96 0.00 2.01 1.77 0.00 3.08 0.00 0.00 3.31 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 6 I 8.02 4.81 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 1.16 1.08 1.00 0.00 0.00 7 K 8.22 4.65 0.00 1.76 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.78 5.30 0.00 1.55 1.50 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.66 4.39 0.00 1.50 1.28 0.00 3.10 0.00 0.00 3.21 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 10 G 8.63 3.64 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 0.00 0.00 0.00 11 F 8.62 5.35 0.00 3.03 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 12 D 7.97 4.98 0.00 2.70 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.72 0.00 3.32 3.36 0.00 5.52 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.84 4.43 0.00 2.26 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.14 7.81 15 T 8.23 3.92 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 16 L 7.70 4.72 0.00 1.71 1.72 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.72 4.57 0.00 2.73 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 18 A 8.45 4.32 1.32 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 19 S 7.66 4.43 0.00 4.05 4.13 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 0.00 0.00 0.00 20 A 7.55 4.52 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 21 Q 7.79 4.42 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 22 K 7.97 4.12 0.00 1.79 1.95 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.40 7.81 23 I 6.80 4.22 1.87 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 1.18 0.83 0.91 0.00 0.00 24 V 7.57 4.50 2.24 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 0.97 0.00 0.00 0.96 0.00 0.00 25 E 8.74 4.20 0.00 2.01 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 2.25 2.31 0.00 26 A 7.56 4.78 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 27 A 7.61 4.59 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 28 R 7.59 4.21 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 29 R 7.82 4.55 0.00 1.74 1.89 0.00 3.17 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 30 S 8.71 4.50 0.00 3.98 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 31 G 7.28 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 0.00 0.00 0.00 0.00 32 A 7.09 3.77 1.01 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 33 Q 8.50 4.46 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 34 V 8.51 4.07 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 0.89 0.00 0.00 0.93 0.00 0.00 35 S 9.55 4.14 0.00 3.86 3.91 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 0.00 0.00 0.00 36 G 8.04 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 37 P 0.00 4.83 0.00 1.96 2.02 0.00 3.62 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 2.02 2.08 0.00 38 I 8.58 4.71 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 1.29 0.97 0.91 0.00 0.00 39 P 0.00 5.15 0.00 2.09 2.12 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 40 L 8.26 4.40 0.00 1.66 1.71 0.92 0.97 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 41 P 0.00 4.05 0.00 2.20 2.14 0.00 3.78 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 1.99 2.04 0.00 42 T 8.44 3.90 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 0.98 0.00 0.00 43 R 8.73 4.43 0.00 1.76 1.82 0.00 3.24 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 44 V 8.26 4.55 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 0.66 0.00 0.00 0.88 0.00 0.00 45 R 8.55 4.35 0.00 1.91 1.62 0.00 3.30 0.00 0.00 2.87 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 46 R 7.59 3.88 0.00 1.51 1.65 0.00 3.20 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 47 F 7.81 4.65 0.00 3.15 3.23 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 48 T 8.89 4.84 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 1.25 0.00 0.00 49 V 8.03 4.62 2.15 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 0.86 0.00 0.00 0.97 0.00 0.00 50 I 8.53 3.86 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 1.42 0.86 0.91 0.00 0.00 51 R 8.02 3.91 0.00 1.82 1.90 0.00 3.43 0.00 0.00 3.21 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 52 G 7.89 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 53 P 0.00 4.36 0.00 2.26 2.23 0.00 3.87 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 2.10 2.00 0.00 54 F 7.63 4.66 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 4.04 0.00 1.58 1.32 0.00 1.03 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 0.96 7.81 56 H 8.42 4.83 0.00 3.17 3.22 0.00 5.65 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 57 K 7.26 4.42 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 58 D 8.05 4.60 0.00 2.68 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 59 S 7.51 3.59 0.00 4.02 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 0.00 60 R 7.37 4.68 0.00 1.62 2.07 0.00 3.19 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 61 E 8.11 4.57 0.00 1.90 1.55 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 2.01 2.16 0.00 62 H 8.33 4.46 0.00 3.14 3.06 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.91 5.04 0.00 3.13 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 64 E 8.64 4.92 0.00 1.84 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 2.26 2.31 0.00 65 L 8.04 4.26 0.00 1.89 1.63 0.08 1.10 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 66 R 8.16 4.53 0.00 1.76 1.81 0.00 3.28 0.00 0.00 3.14 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 67 T 8.44 4.38 4.67 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 1.37 0.00 0.00 68 H 8.51 4.93 0.00 3.13 3.33 0.00 5.95 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 69 N 8.51 4.65 0.00 2.60 2.65 0.00 0.00 6.29 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 70 R 8.12 4.92 0.00 1.89 1.71 0.00 3.25 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 71 L 9.18 5.31 0.00 1.71 1.43 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.12 4.51 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 0.83 0.00 0.00 0.98 0.00 0.00 73 D 9.60 5.33 0.00 2.59 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 74 I 8.21 4.68 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 1.45 0.96 0.91 0.00 0.00 75 I 7.61 4.12 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 1.36 0.62 0.91 0.00 0.00 76 N 7.66 4.30 0.00 2.67 2.79 0.00 0.00 7.30 7.69 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 77 P 0.00 4.48 0.00 2.08 2.01 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 78 N 8.54 5.13 0.00 2.83 2.90 0.00 0.00 6.74 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 79 R 8.46 4.02 0.00 1.82 2.03 0.00 3.37 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 80 K 8.11 4.05 0.00 1.71 1.83 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.37 7.81 81 T 7.79 4.16 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 1.31 0.00 0.00 82 I 7.52 3.73 1.93 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 1.37 0.80 0.91 0.00 0.00 83 E 9.59 4.39 0.00 2.05 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 2.21 2.25 0.00 84 Q 8.03 4.31 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 85 L 7.64 4.44 0.00 1.68 1.44 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.53 4.16 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 87 T 6.98 4.27 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 1.26 0.00 0.00 88 L 7.87 3.42 0.00 1.68 2.07 0.92 1.18 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 D 7.60 4.71 0.00 2.70 2.59 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 90 L 8.15 4.87 0.00 1.54 1.59 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.54 0.00 2.36 2.18 0.00 3.67 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 2.02 1.92 0.00 92 T 6.91 3.57 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 1.20 0.00 0.00 93 G 7.58 4.05 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 0.00 0.00 0.00 94 V 7.43 3.97 2.05 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 0.71 0.00 0.00 0.95 0.00 0.00 95 E 8.52 4.72 0.00 1.99 1.66 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 2.19 2.28 0.00 96 I 8.17 4.71 1.86 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 1.33 1.08 0.89 0.00 0.00 97 E 8.06 4.79 0.00 1.71 1.82 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 2.20 2.40 0.00 98 I 8.25 4.84 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 1.34 0.47 0.91 0.00 0.00 99 K 8.98 4.92 0.00 1.64 1.64 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.49 7.81 100 T 8.19 5.73 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 1.25 0.00 0.00 *101 V 8.42 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.