NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2484 8.2493 123.5791 51.8406 20.1286 177.1236 2 K 4.1883 8.2056 121.5100 55.2218 35.2024 176.4498 3 Q 3.9373 9.3666 119.6806 59.5007 29.0881 181.3623 4 S 4.1513 8.0336 115.0303 62.0028 62.6406 176.3796 5 M 4.0016 8.0556 120.7222 58.3373 31.6972 178.1739 6 K 3.7823 7.9400 119.1642 59.7019 32.2739 178.0934 7 A 3.9763 7.6932 120.4896 55.5046 18.3022 179.4198 8 R 3.8111 7.7357 115.9415 59.9108 30.2123 178.8108 9 E 3.9478 7.8667 117.2536 58.8820 29.5598 178.7676 10 V 3.5178 7.8384 118.5278 66.1079 31.6303 178.0289 11 K 3.9379 8.0729 119.0765 59.4258 31.9573 178.6939 12 R 3.9407 7.8324 118.7544 58.9763 29.7269 178.3351 13 V 3.7917 7.5516 116.9632 64.8140 31.9428 177.5547 14 A 4.1546 8.0938 120.8773 55.4152 18.2688 179.7275 15 L 4.0645 8.1429 116.8765 57.4221 41.2021 179.1999 16 A 4.1239 8.0944 121.1580 55.3745 17.9401 178.3778 17 D 5.2373 7.9596 115.5371 53.9170 41.1486 176.9931 18 K 4.4544 7.8523 117.7712 56.2004 33.0307 176.4143 19 Y 4.6786 7.4962 112.4726 57.7169 40.5126 175.7349 20 F 4.7624 7.8541 118.1958 57.3511 41.2316 172.9279 21 A 4.7246 7.9125 128.1205 52.1112 25.5653 177.9715 22 K 4.0158 8.7474 117.2770 58.6530 33.9343 180.1368 23 R 3.9662 7.9511 116.9217 57.7003 30.5132 177.9388 24 A 3.8702 7.4595 120.6263 54.5662 18.8748 179.4114 25 E 3.8594 7.6372 116.1475 59.1535 29.3071 179.6406 26 L 3.9093 7.6759 117.9440 57.7589 41.9378 178.8634 27 K 4.0693 7.7388 117.8093 57.3691 32.4405 177.7463 28 A 4.0857 8.3423 119.6880 52.9570 17.7324 178.7717 29 I 3.5378 9.0653 120.6596 64.3473 38.1425 178.1339 30 I 3.9166 7.4784 115.7734 62.0229 36.1405 177.4620 31 S 4.4373 7.6328 112.2571 59.2839 66.6535 173.6793 32 D 4.3024 8.0526 119.2368 54.1614 43.6718 174.1626 33 V 3.1819 9.0321 117.3343 63.9091 29.5939 171.6277 34 N 4.5803 8.6088 112.2952 53.0807 37.4074 172.7556 35 A 3.9100 7.4339 129.5060 53.4188 22.0764 176.6898 *40 R 4.0209 8.1424 114.5621 53.9311 32.4838 175.8988 41 W 4.7868 6.8350 113.6848 55.3692 30.1213 175.1928 42 N 4.3729 9.5331 113.1318 56.2238 37.7001 175.0749 43 A 3.7907 8.2490 119.1157 54.8090 19.0128 179.6613 44 V 3.3376 7.8170 113.2419 63.8750 32.0512 178.3379 45 L 3.6890 7.1078 116.1957 58.3786 41.0609 178.7372 46 K 3.9912 8.3532 126.8299 60.2312 32.9906 178.5708 47 L 4.1913 7.2716 119.9627 57.2762 41.8508 177.7102 48 Q 4.1092 8.0658 118.2683 59.5464 29.3418 178.3542 49 T 4.3464 7.5731 114.3955 63.1110 68.3427 175.5729 50 L 4.1436 8.0277 125.3317 56.9511 42.8246 175.2393 51 P 4.5453 0.0000 0.0000 62.7179 32.9618 175.3166 52 R 4.1633 8.2370 116.7802 55.6257 28.7715 175.2787 53 D 4.8249 7.6082 113.6282 53.8106 42.2485 175.6070 54 S 4.5177 7.1976 113.4015 56.2845 65.3018 172.6608 55 S 4.6617 7.9333 119.3008 57.3413 64.9105 175.5412 56 P 4.2299 0.0000 0.0000 65.1430 31.4713 179.2370 57 S 4.0264 7.6775 114.4442 61.8305 62.6281 176.0438 58 R 4.0268 7.4104 115.4613 57.2944 29.7724 176.5414 59 Q 4.1380 7.6002 120.7624 55.7059 29.3764 175.6939 60 R 4.1448 8.8219 123.1181 55.2570 30.9845 176.6637 61 N 3.8585 8.3777 115.3057 50.6071 38.8199 177.3593 62 R 2.6293 7.2627 118.5324 55.4791 30.2394 175.2848 63 C 4.5996 8.0795 116.9918 59.7864 32.0784 173.3883 64 R 4.4478 8.4621 121.3101 56.4521 29.9285 177.0013 65 Q 4.4658 7.6364 116.7793 56.4623 30.9679 175.3352 66 T 4.2821 8.3055 107.2174 61.4717 71.2472 174.6020 67 G 3.6816 8.9913 108.9753 47.0797 0.0000 172.4664 68 R 4.1062 8.7637 118.6023 56.4244 30.5082 175.1741 69 P 4.3230 0.0000 0.0000 64.4912 30.9798 176.2039 70 H 4.4473 7.6932 115.9559 56.7680 29.5500 176.1609 71 G 3.5505 8.9912 109.3019 45.5489 0.0000 173.2193 72 F 5.0183 7.4472 120.6986 57.6413 40.6198 175.9780 73 L 4.4065 6.9112 124.4310 52.4519 42.8458 176.4841 74 R 3.1900 7.4840 123.1141 58.9714 30.2928 178.5325 75 K 3.3858 7.6491 114.9026 58.7544 31.8169 177.2545 76 F 4.7032 7.3702 113.4271 56.3454 40.2158 175.4308 77 G 3.9240 8.0155 107.4900 46.0921 0.0000 173.2689 78 L 4.8957 7.3068 117.9175 53.3714 46.0928 174.9859 79 S 5.3416 8.3485 113.5243 58.2672 67.0511 175.6436 80 R 3.4211 8.7905 116.4202 59.8938 29.7051 177.6539 81 I 3.7810 8.9997 110.3106 64.3198 38.1455 178.5654 82 K 4.5232 7.5318 117.6463 56.6105 31.3131 177.4446 83 V 4.2329 7.6604 116.6451 63.7193 33.8706 177.2595 84 R 3.8880 7.8024 114.7938 60.0381 28.8524 178.3987 85 E 3.8989 8.3721 116.2862 60.3998 29.4788 179.3537 86 A 3.8410 7.9308 119.1276 55.3655 18.8031 179.1234 87 A 3.9617 8.5311 119.2127 55.5954 18.0674 179.9758 88 M 3.9993 7.5244 116.1439 58.7108 32.1263 178.2520 89 R 4.0028 7.2782 112.9321 57.0745 30.5087 176.4293 90 G 3.7179 7.7113 105.1926 46.6833 0.0000 174.1574 91 E 4.3434 8.0985 117.6084 56.2166 30.4388 176.7847 92 I 4.4822 7.4385 120.2081 58.4144 39.3219 173.6899 93 P 4.3865 0.0000 0.0000 63.6264 32.0168 175.9555 94 G 4.0321 8.8491 108.2258 45.5239 0.0000 174.1346 95 L 4.2643 7.4194 118.6055 54.4526 42.4326 176.0152 96 K 4.4319 7.8965 118.6099 55.6127 34.7949 175.3196 97 K 3.9592 8.5129 119.7505 56.2937 32.5049 177.2406 98 A 4.0759 8.4416 125.9034 52.1988 18.8870 177.6847 99 S 4.5345 7.6374 115.9678 58.1195 64.9956 177.6490 100 W 4.4793 7.2160 121.3686 56.2736 28.1910 176.7669 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 A 8.25 4.25 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 2 K 8.21 4.19 0.00 2.07 1.95 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 3 Q 9.37 3.94 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 4 S 8.03 4.15 0.00 3.85 3.90 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 5 M 8.06 4.00 0.00 2.02 2.29 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 2.68 2.59 0.00 6 K 7.94 3.78 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 7 A 7.69 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.81 0.00 2.07 2.01 0.00 3.11 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 9 E 7.87 3.95 0.00 2.07 2.06 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 2.30 2.29 0.00 10 V 7.84 3.52 2.22 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 0.94 0.00 0.00 0.95 0.00 0.00 11 K 8.07 3.94 0.00 1.88 1.98 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 R 7.83 3.94 0.00 2.05 2.18 0.00 3.10 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 13 V 7.55 3.79 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 0.88 0.00 0.00 0.95 0.00 0.00 14 A 8.09 4.15 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 15 L 8.14 4.06 0.00 1.88 1.95 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.09 4.12 1.41 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 0.00 0.00 0.00 17 D 7.96 5.24 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.45 0.00 1.62 1.40 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.31 7.81 19 Y 7.50 4.68 0.00 3.10 3.02 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 0.00 0.00 0.00 0.00 20 F 7.85 4.76 0.00 3.07 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 21 A 7.91 4.72 1.15 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 22 K 8.75 4.02 0.00 1.88 2.02 0.00 1.47 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 R 7.95 3.97 0.00 2.03 2.02 0.00 3.07 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 24 A 7.46 3.87 -0.16 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 25 E 7.64 3.86 0.00 1.96 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 2.31 2.35 0.00 26 L 7.68 3.91 0.00 1.58 1.70 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.74 4.07 0.00 2.05 2.08 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.52 1.52 7.81 28 A 8.34 4.09 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 29 I 9.07 3.54 1.84 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 1.41 0.55 0.89 0.00 0.00 30 I 7.48 3.92 1.84 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 1.27 0.54 0.88 0.00 0.00 31 S 7.63 4.44 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 32 D 8.05 4.30 0.00 2.59 2.57 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 0.00 33 V 9.03 3.18 2.06 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 0.81 0.00 0.00 0.92 0.00 0.00 34 N 8.61 4.58 0.00 2.91 2.85 0.00 0.00 7.00 7.35 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 35 A 7.43 3.91 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.14 4.02 0.00 1.32 1.34 0.00 3.20 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.56 0.00 41 W 6.83 4.79 0.00 3.50 3.27 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 42 N 9.53 4.37 0.00 2.83 3.03 0.00 0.00 6.67 7.35 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 43 A 8.25 3.79 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 44 V 7.82 3.34 1.98 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 0.76 0.00 0.00 0.91 0.00 0.00 45 L 7.11 3.69 0.00 1.78 1.62 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.35 3.99 0.00 1.92 1.98 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.57 7.81 47 L 7.27 4.19 0.00 1.85 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.07 4.11 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.59 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 49 T 7.57 4.35 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 1.19 0.00 0.00 50 L 8.03 4.14 0.00 1.83 1.76 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.55 0.00 1.93 1.81 0.00 3.51 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.52 0.00 52 R 8.24 4.16 0.00 1.79 2.38 0.00 3.16 0.00 0.00 3.20 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 53 D 7.61 4.82 0.00 2.56 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 54 S 7.20 4.52 0.00 3.64 3.30 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 55 S 7.93 4.66 0.00 3.85 3.60 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 56 P 0.00 4.23 0.00 1.97 1.72 0.00 3.59 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 1.21 1.32 0.00 57 S 7.68 4.03 0.00 3.80 3.90 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 58 R 7.41 4.03 0.00 1.88 1.94 0.00 3.28 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 59 Q 7.60 4.14 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 60 R 8.82 4.14 0.00 1.89 1.84 0.00 3.53 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 61 N 8.38 3.86 0.00 2.73 2.33 0.00 0.00 7.14 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 62 R 7.26 2.63 0.00 1.77 1.82 0.00 3.14 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.43 0.00 63 C 8.08 4.60 0.00 3.09 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 64 R 8.46 4.45 0.00 1.88 1.96 0.00 3.24 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 65 Q 7.64 4.47 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 66 T 8.31 4.28 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 1.25 0.00 0.00 67 G 8.99 3.68 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 68 R 8.76 4.11 0.00 1.93 2.19 0.00 3.25 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 69 P 0.00 4.32 0.00 2.10 2.01 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 70 H 7.69 4.45 0.00 3.21 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.99 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 72 F 7.45 5.02 0.00 3.03 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 73 L 6.91 4.41 0.00 1.78 1.57 0.97 1.37 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 74 R 7.48 3.19 0.00 1.76 1.75 0.00 3.22 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 K 7.65 3.39 0.00 0.79 0.74 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.23 7.81 76 F 7.37 4.70 0.00 3.09 3.05 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 77 G 8.02 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 0.00 0.00 0.00 78 L 7.31 4.90 0.00 1.69 1.55 0.94 0.80 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 79 S 8.35 5.34 0.00 3.94 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 80 R 8.79 3.42 0.00 1.89 1.74 0.00 3.24 0.00 0.00 3.42 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 81 I 9.00 3.78 2.05 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 1.44 0.45 0.93 0.00 0.00 82 K 7.53 4.52 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.56 7.81 83 V 7.66 4.23 2.21 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 0.98 0.00 0.00 1.00 0.00 0.00 84 R 7.80 3.89 0.00 1.94 1.98 0.00 3.23 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 85 E 8.37 3.90 0.00 2.01 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 0.00 2.42 2.59 0.00 86 A 7.93 3.84 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 87 A 8.53 3.96 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 88 M 7.52 4.00 0.00 2.00 2.42 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 2.63 2.65 0.00 89 R 7.28 4.00 0.00 2.02 1.99 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 90 G 7.71 3.72 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 0.00 0.00 0.00 91 E 8.10 4.34 0.00 2.01 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 0.00 2.30 2.36 0.00 92 I 7.44 4.48 1.86 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 1.48 0.59 0.89 0.00 0.00 93 P 0.00 4.39 0.00 2.17 2.05 0.00 3.74 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 1.99 1.97 0.00 94 G 8.85 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.42 4.26 0.00 1.63 1.58 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.90 4.43 0.00 1.79 1.71 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.39 7.81 97 K 8.51 3.96 0.00 1.72 1.74 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 98 A 8.44 4.08 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 99 S 7.64 4.53 0.00 3.73 3.65 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 0.00 0.00 0.00 0.00 100 W 7.22 4.48 0.00 3.38 3.25 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 * Residues marked with a * may have inaccurate shift predictions.