NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 4.0289 8.3393 109.7223 45.9628 0.0000 171.8170 22 T 4.4667 8.1133 115.7884 59.7444 69.6237 172.2043 23 S 4.1828 9.5638 117.2541 58.4298 63.9997 174.9430 24 L 4.7983 8.1903 126.9013 53.1445 43.6789 176.5007 25 T 4.3300 8.7540 112.9651 60.7077 70.3033 175.6728 26 D 4.2466 8.6409 120.5951 57.7417 40.7402 178.6799 27 E 4.1175 8.2035 115.0042 57.6008 29.7593 175.7885 28 E 4.4869 8.3062 115.2629 58.4674 31.9289 177.7238 29 L 3.9135 8.0263 119.7682 58.2360 42.1133 179.0629 30 V 3.7467 7.6230 116.0183 64.6372 31.6710 176.7030 31 T 4.0861 7.6426 115.8636 64.0062 67.8194 173.8723 *33 S 4.2647 7.7427 116.3965 57.8482 62.9862 174.3785 34 V 3.8269 8.0752 120.8991 64.7439 31.3271 178.5345 35 R 4.0050 7.8707 118.2538 58.7455 29.8608 178.1139 36 E 4.0603 8.2000 118.1716 58.3485 29.3252 177.9361 37 L 4.1170 7.4184 118.9639 57.5841 42.1768 177.9009 38 N 4.2772 7.9861 115.7369 55.4979 38.2485 177.0380 39 Q 3.8766 7.6343 121.5014 59.4403 29.1091 176.9274 40 H 4.6518 7.6433 113.4384 56.3856 28.6020 175.9254 41 L 4.3634 7.4109 122.3814 55.6462 42.6811 177.1684 42 R 3.7999 7.1907 115.4493 57.7196 29.3922 174.6659 43 G 3.5834 9.6375 112.7840 44.3836 0.0000 170.7680 44 L 4.2109 7.9188 116.8470 52.8380 45.9511 175.1658 45 S 4.2284 8.5558 121.9301 58.7343 65.0657 176.0028 46 K 3.8566 8.7807 127.4735 60.4061 31.1590 179.7780 47 E 4.2286 8.0689 119.4510 59.3089 29.4988 178.4985 48 E 3.9599 7.7112 118.4612 59.5210 29.2630 179.2544 49 I 3.7699 7.7564 120.1467 64.4216 37.0982 178.0423 50 I 3.7222 7.6058 118.1218 64.1197 38.0697 177.8580 51 Q 3.8925 8.4318 118.9204 59.5993 27.6317 179.2020 52 L 4.0595 7.8590 124.0671 58.3793 42.2399 179.5823 53 K 4.0853 7.7779 123.5680 59.2520 31.5526 180.9727 54 Q 4.0612 8.2458 119.1859 59.7416 29.0961 178.0000 55 R 4.1570 7.9282 119.5527 59.1320 29.9174 178.3282 56 R 3.8224 7.5372 118.1038 59.2609 30.1995 177.8085 57 R 3.8500 7.8814 118.4114 59.9717 30.0649 178.2180 58 T 3.8464 8.3087 115.4253 66.9966 68.4679 176.5023 59 L 3.9740 7.6728 120.0469 57.4945 41.5229 179.9622 60 K 3.6702 8.2726 118.8696 59.4333 32.0600 178.9530 61 N 4.3188 8.4498 116.9945 56.3887 38.4388 177.1245 62 R 3.9634 7.9674 120.0422 59.6516 30.1020 178.8128 63 G 3.4962 7.3718 103.7905 47.8710 0.0000 175.2976 64 Y 4.3797 7.5128 118.9714 60.8368 37.7830 178.5320 65 A 4.0231 8.6626 121.8390 55.3199 18.5242 179.5695 66 A 3.9435 7.8054 118.7176 55.2904 18.2795 180.1895 67 S 4.0706 8.1276 113.7059 61.8725 63.0166 176.0748 68 C 3.9216 8.2527 121.4726 62.7280 31.2965 176.0340 69 R 3.9006 8.2664 119.5093 59.2862 29.7086 178.9633 70 V 3.5410 7.6221 117.4445 65.8853 31.4591 177.4873 71 K 3.7925 8.8426 120.3590 59.8665 31.8191 177.9619 72 R 3.8587 8.0319 118.5296 59.7219 29.7915 178.5087 73 V 3.6286 7.6048 117.2682 66.2873 31.5863 178.1645 74 T 3.9055 8.3652 109.4099 64.2555 68.3654 176.2507 75 Q 4.0105 8.3834 121.9862 58.6825 28.9972 178.0622 76 K 4.0113 7.8210 120.5083 59.0000 32.1459 178.4839 77 E 3.8947 8.3561 120.3403 59.2613 29.5586 178.2972 78 E 3.9368 7.8956 119.3102 59.3610 29.6736 178.8068 79 L 4.0011 7.7582 118.5335 57.9573 41.8449 179.4254 80 E 4.1941 8.2960 118.3892 58.8672 29.2941 179.5119 81 K 3.9194 8.0100 119.9404 59.8448 32.2998 178.4460 82 Q 3.9559 8.6176 118.7002 58.9373 28.4003 179.1446 83 K 4.1882 8.4419 120.7374 59.7870 32.7114 177.7262 84 A 4.0520 7.9456 120.6289 55.4187 18.2375 179.2371 85 E 3.9682 8.4500 115.5845 59.3517 29.5068 180.3043 86 L 4.6067 8.5049 119.5805 55.6700 42.0088 178.6287 87 Q 4.5215 7.7840 116.6365 55.0502 31.7974 179.3103 88 Q 4.1127 8.8024 120.6828 60.4461 29.5124 178.7822 89 E 4.0455 8.2728 113.4357 59.2193 29.8484 181.5528 90 V 4.1634 7.7226 115.6961 62.9743 31.1490 175.7130 91 E 4.4824 8.6308 121.1800 56.7264 31.2291 177.7459 92 K 4.0509 7.6108 115.5929 57.9399 33.0547 177.8962 93 L 4.0856 7.8467 120.5752 56.0875 41.1852 177.2930 94 A 4.1337 7.5670 120.0660 53.3024 20.0393 178.5856 95 S 4.6429 7.9105 111.7974 60.7975 62.7842 176.5240 96 E 4.0347 8.1947 120.8900 60.9927 29.6368 181.4997 97 N 4.7425 7.5955 114.6278 54.7108 38.8690 176.6916 98 A 4.2429 7.3617 120.7373 53.7550 19.1343 177.4198 99 S 4.3023 7.8123 115.3863 58.9711 61.9291 176.2499 *101 K 4.2677 7.8558 123.7640 54.3376 34.2932 179.8022 102 L 4.1845 7.5741 117.4489 57.4297 41.8822 177.0687 103 E 4.3343 7.8957 117.6029 56.5156 30.1301 176.8801 104 L 3.8680 7.7826 118.6185 56.7855 42.2568 176.5916 105 D 4.4515 7.7562 116.1987 55.9382 41.3692 177.2019 106 A 4.3281 7.4419 120.4796 52.7676 19.1624 177.7788 107 L 4.5721 7.9127 118.5435 55.3743 42.6156 177.2121 108 R 4.5580 7.6752 115.2503 57.2162 32.2303 182.4692 109 S 4.3746 7.8336 112.1022 61.3327 62.6515 176.1504 110 K 4.0780 7.6965 122.3085 58.0163 31.9330 181.7263 *111 Y 4.3832 7.2401 118.4390 54.8196 34.9137 180.5721 112 E 4.8184 7.7168 121.3608 56.7900 30.7368 178.2024 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 21 G 8.34 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 22 T 8.11 4.47 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 1.21 0.00 0.00 23 S 9.56 4.18 0.00 3.85 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 24 L 8.19 4.80 0.00 1.63 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.75 4.33 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 1.21 0.00 0.00 26 D 8.64 4.25 0.00 2.74 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 27 E 8.20 4.12 0.00 1.89 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 2.28 2.39 0.00 28 E 8.31 4.49 0.00 2.18 1.90 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 2.20 2.19 0.00 29 L 8.03 3.91 0.00 1.57 1.70 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.62 3.75 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 0.80 0.00 0.00 0.84 0.00 0.00 31 T 7.64 4.09 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 1.20 0.00 0.00 *33 S 7.74 4.26 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 34 V 8.08 3.83 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 0.84 0.00 0.00 0.94 0.00 0.00 35 R 7.87 4.00 0.00 1.88 2.01 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 36 E 8.20 4.06 0.00 2.03 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 0.00 2.33 2.38 0.00 37 L 7.42 4.12 0.00 1.93 1.79 0.89 0.57 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 38 N 7.99 4.28 0.00 2.95 2.86 0.00 0.00 6.60 7.25 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 39 Q 7.63 3.88 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 40 H 7.64 4.65 0.00 3.03 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.41 4.36 0.00 1.79 1.79 0.93 1.41 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 42 R 7.19 3.80 0.00 1.81 1.96 0.00 3.17 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 1.72 1.59 0.00 43 G 9.64 3.58 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 0.00 0.00 0.00 44 L 7.92 4.21 0.00 1.69 1.54 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.56 4.23 0.00 4.04 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 46 K 8.78 3.86 0.00 1.78 1.90 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.11 7.81 47 E 8.07 4.23 0.00 2.03 1.96 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 2.37 2.39 0.00 48 E 7.71 3.96 0.00 2.09 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 2.33 2.51 0.00 49 I 7.76 3.77 2.07 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.96 0.91 0.00 0.00 50 I 7.61 3.72 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 1.58 1.62 0.95 0.00 0.00 51 Q 8.43 3.89 0.00 2.34 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 52 L 7.86 4.06 0.00 1.91 1.82 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.78 4.09 0.00 1.76 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 54 Q 8.25 4.06 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 55 R 7.93 4.16 0.00 1.93 2.09 0.00 3.13 0.00 0.00 3.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 56 R 7.54 3.82 0.00 1.92 2.07 0.00 3.16 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 57 R 7.88 3.85 0.00 1.99 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 58 T 8.31 3.85 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 1.19 0.00 0.00 59 L 7.67 3.97 0.00 1.97 1.64 0.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.27 3.67 0.00 1.70 1.38 0.00 1.67 0.00 0.00 1.50 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.60 7.81 61 N 8.45 4.32 0.00 2.82 2.92 0.00 0.00 6.72 8.16 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 62 R 7.97 3.96 0.00 1.91 2.07 0.00 3.04 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 63 G 7.37 3.50 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 0.00 0.00 0.00 64 Y 7.51 4.38 0.00 3.20 2.88 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 65 A 8.66 4.02 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 66 A 7.81 3.94 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 67 S 8.13 4.07 0.00 3.96 3.95 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 68 C 8.25 3.92 0.00 3.15 3.17 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 69 R 8.27 3.90 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 70 V 7.62 3.54 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 0.98 0.00 0.00 0.98 0.00 0.00 71 K 8.84 3.79 0.00 1.82 2.04 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 72 R 8.03 3.86 0.00 2.16 2.20 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 73 V 7.60 3.63 2.23 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 1.09 0.00 0.00 0.93 0.00 0.00 74 T 8.37 3.91 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 75 Q 8.38 4.01 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 76 K 7.82 4.01 0.00 1.80 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 E 8.36 3.89 0.00 2.18 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 0.00 2.31 2.47 0.00 78 E 7.90 3.94 0.00 2.17 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 0.00 2.31 2.36 0.00 79 L 7.76 4.00 0.00 1.71 1.70 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.30 4.19 0.00 2.18 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 2.33 2.60 0.00 81 K 8.01 3.92 0.00 1.97 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 82 Q 8.62 3.96 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 83 K 8.44 4.19 0.00 1.83 2.03 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 84 A 7.95 4.05 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 85 E 8.45 3.97 0.00 2.14 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 0.00 2.33 2.36 0.00 86 L 8.50 4.61 0.00 1.66 1.68 0.92 -0.02 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 87 Q 7.78 4.52 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 88 Q 8.80 4.11 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 89 E 8.27 4.05 0.00 1.93 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 1.87 0.00 90 V 7.72 4.16 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 0.91 0.00 0.00 0.93 0.00 0.00 91 E 8.63 4.48 0.00 2.08 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 2.19 2.20 0.00 92 K 7.61 4.05 0.00 2.07 2.04 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.37 7.81 93 L 7.85 4.09 0.00 1.91 1.68 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.57 4.13 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 95 S 7.91 4.64 0.00 3.89 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 96 E 8.19 4.03 0.00 2.09 1.85 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 2.26 2.22 0.00 97 N 7.60 4.74 0.00 2.68 2.90 0.00 0.00 7.02 7.23 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 98 A 7.36 4.24 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 99 S 7.81 4.30 0.00 3.87 3.97 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 *101 K 7.86 4.27 0.00 1.75 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 102 L 7.57 4.18 0.00 1.82 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.90 4.33 0.00 2.04 1.90 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 2.24 2.23 0.00 104 L 7.78 3.87 0.00 1.64 1.67 0.92 1.17 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 0.00 105 D 7.76 4.45 0.00 3.06 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 0.00 106 A 7.44 4.33 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 0.00 107 L 7.91 4.57 0.00 1.74 1.82 0.92 0.82 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 0.00 108 R 7.68 4.56 0.00 1.73 1.86 0.00 3.29 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.13 0.00 109 S 7.83 4.37 0.00 3.85 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 0.00 110 K 7.70 4.08 0.00 1.86 1.72 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *111 Y 7.24 4.38 0.00 2.38 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 0.00 0.00 0.00 0.00 112 E 7.72 4.82 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.