NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5497 8.1627 120.3741 54.8955 33.4876 174.4746 2 Q 3.9740 9.0337 127.6201 57.2294 29.5240 176.0511 3 F 4.2758 9.9359 124.0727 57.5826 38.8752 174.4201 4 K 4.5443 7.9207 120.9519 56.0353 33.6042 175.9018 5 V 4.7166 8.2662 123.3458 61.4760 33.8162 174.2137 6 Y 5.1014 8.3645 124.2225 56.0342 42.3675 175.0658 7 T 4.2975 8.4482 119.0783 63.9091 69.9568 172.9073 8 Y 5.1580 8.5079 127.4445 55.9336 39.4526 176.7387 9 K 4.4236 8.6685 132.1392 54.7720 29.6825 176.5162 10 R 4.3362 6.8279 121.3996 54.6681 33.7352 174.6637 11 E 4.0294 8.5868 119.7200 56.2711 30.0085 176.6551 12 S 4.7109 7.9213 116.2874 56.7938 65.0260 176.0806 13 R 4.1194 8.6804 123.3229 58.6314 30.2093 177.0397 14 Y 4.6468 7.8872 115.8865 57.8746 38.7148 175.3714 15 R 4.8808 8.7748 120.0169 55.8790 33.5522 175.1013 16 L 5.1616 7.7268 117.7328 52.8557 46.3353 175.2477 17 F 5.3817 8.1959 115.6209 55.3795 42.2863 173.2938 18 V 4.8848 8.8122 119.8700 59.7470 33.7102 174.5520 19 D 4.7760 9.3215 126.1238 54.4279 41.9751 176.4566 20 V 4.3094 8.4253 117.1276 60.8004 33.3892 175.8242 21 Q 4.0957 8.0847 121.9301 55.1328 29.7109 175.6924 22 S 4.1633 8.3195 117.7872 58.5312 62.9532 174.8806 23 D 4.4191 8.4917 125.4457 56.3013 40.8693 176.9779 24 I 3.9825 7.5618 117.8788 61.1263 38.2912 175.0581 25 I 4.1766 7.2712 121.2362 60.4389 37.3830 174.4279 26 D 4.6803 8.5594 126.1081 52.7194 42.0803 176.0037 27 T 4.4093 8.0509 116.9156 58.3950 69.0418 170.5129 28 P 4.3237 0.0000 0.0000 64.7567 31.8923 177.3062 29 G 3.9931 9.5896 110.5284 45.4680 0.0000 172.5595 30 R 5.6313 7.7114 116.6187 54.0398 34.6723 174.8356 31 R 4.7608 8.0508 118.5683 54.8377 35.1318 173.8884 32 M 4.5370 9.2438 124.0002 55.4805 33.4072 175.4694 33 V 4.8981 8.5165 118.0740 59.8103 37.0612 174.0347 34 I 4.6224 8.7050 124.3240 58.8685 39.1980 173.8199 35 P 4.7205 0.0000 0.0000 62.6307 32.7731 174.9270 36 L 5.2953 8.3887 121.3022 53.2885 43.5246 175.8298 37 A 5.1696 9.0926 124.7107 49.7212 22.4787 175.5210 38 S 3.9270 9.0541 115.2541 58.6196 62.9088 175.2819 39 A 3.9989 8.8740 130.6981 55.0989 18.3451 179.4789 40 R 4.0210 7.7884 110.9639 58.4795 29.4450 177.4473 41 L 4.2633 7.8562 117.9028 55.5486 42.1162 176.6514 42 L 4.7366 7.6042 118.5996 52.5300 44.9902 176.6512 43 S 4.5083 8.2513 116.9792 57.4883 64.2301 174.4520 44 D 4.6209 8.3938 118.9850 55.8093 40.6344 178.0263 45 K 4.0720 7.8719 118.6954 58.1968 32.2567 177.2274 46 V 3.8596 7.4351 119.5824 61.4976 31.8437 175.5276 47 S 4.1496 8.9646 121.7885 59.2155 62.2597 175.1208 48 R 4.4490 8.5757 125.4407 57.9245 30.3215 178.7481 49 E 3.9653 8.2680 117.8976 59.1473 29.7308 178.7049 50 L 3.8960 7.8178 119.2485 56.9444 42.2338 176.0553 51 Y 5.0309 7.7836 116.1073 53.6673 38.2855 173.4155 52 P 4.6193 0.0000 0.0000 62.0692 33.3645 175.0306 53 V 4.8384 8.2901 122.1702 61.6367 32.9331 175.3755 54 V 4.5954 9.1257 120.8194 59.8433 35.6580 174.1754 55 H 5.3699 8.9156 120.5461 54.2405 30.9253 173.9648 56 I 4.4747 8.9190 125.1078 60.0332 39.7107 176.4624 57 G 3.7824 8.3060 116.9533 47.3108 0.0000 173.1928 58 D 4.7121 8.9703 123.9938 53.8816 40.9933 175.3780 59 E 4.5423 8.2074 119.8142 54.4264 32.1695 174.7946 60 S 5.1586 7.9062 117.4392 56.6308 65.9487 173.1306 61 W 5.4750 9.1966 123.1730 55.0616 33.3597 174.3696 62 R 5.0133 9.3708 122.9072 55.3146 31.5968 175.6047 63 M 4.4821 9.2729 124.3786 54.7273 32.9958 176.8420 64 M 4.8803 8.7302 128.3324 53.7942 31.2434 176.9934 65 T 3.8367 8.3049 120.3846 66.9600 69.1541 176.8638 66 T 3.9515 7.9856 108.1837 63.3871 69.1133 174.1589 67 D 4.8072 7.9283 121.6824 54.0156 41.2583 175.8607 68 M 4.3746 7.4465 114.3751 55.6025 31.9036 175.3049 69 A 4.6382 8.4811 120.2662 50.7541 23.3246 175.7485 70 S 4.6444 8.5511 115.7275 58.3040 64.1316 173.9241 71 V 4.6156 8.3487 116.4264 58.3690 35.5597 173.5650 72 P 4.7395 0.0000 0.0000 62.4810 32.1513 177.7075 73 V 3.5762 8.5710 121.2505 65.9332 31.5676 178.3569 74 S 4.1957 8.1225 113.1740 60.6061 62.9506 175.1355 75 V 4.1635 8.0297 113.1673 60.9918 31.6864 175.1925 76 I 4.6815 7.6891 122.5912 60.3998 37.0607 175.6563 77 G 4.2232 8.7201 118.3992 45.5201 0.0000 172.4165 78 E 4.4598 8.7609 118.1139 55.9884 31.2426 176.1506 79 E 4.1814 8.8095 122.6074 56.6815 29.8093 176.6624 80 V 4.4435 8.4967 117.9546 61.2779 34.3638 174.8333 81 A 4.4495 7.2389 120.2514 51.3939 22.7118 174.4347 82 D 5.0006 8.6103 117.8180 52.7862 43.8214 175.2569 83 L 4.7056 9.0074 126.1356 54.4274 42.6440 178.7250 84 S 3.7809 8.3841 117.6040 61.3552 62.8469 175.8938 85 H 4.3404 8.1504 114.8373 57.2789 28.6838 176.3948 86 R 4.4269 7.6725 119.9769 55.9405 30.4341 177.2722 87 E 3.1693 7.4838 122.3498 59.4106 29.3369 178.6996 88 N 4.3088 7.8920 115.6585 56.5287 38.7447 177.0051 89 D 4.3490 7.9750 119.7332 57.3735 40.9502 178.8526 90 I 3.7860 7.9182 120.4329 64.1075 37.0676 178.2933 91 K 4.0348 8.5028 120.9596 59.7182 32.0668 178.5573 92 N 4.3438 8.4740 116.6297 56.1762 38.4323 177.2979 93 A 4.1128 8.0114 123.4427 54.7471 18.5569 179.8520 94 I 3.5554 7.8271 118.3119 64.6157 37.1491 178.5280 95 N 4.5706 8.6037 117.6580 56.0201 38.3133 177.3025 96 L 4.0200 8.0213 122.0294 58.2576 41.9707 178.5249 97 M 3.7132 7.4267 116.8852 58.5747 32.1086 177.8978 98 F 3.8958 7.1387 115.7633 59.1935 39.2410 177.1913 99 W 5.2099 7.8278 114.7676 55.3047 29.9349 175.9642 100 G 3.7626 8.2095 109.3382 47.3120 0.0000 174.8111 *101 I 3.9519 7.8704 122.4867 59.7416 36.1889 177.9611 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 8.16 4.55 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 2 Q 9.03 3.97 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.61 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 3 F 9.94 4.28 0.00 3.31 3.08 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 4 K 7.92 4.54 0.00 1.78 1.19 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.55 7.81 5 V 8.27 4.72 1.97 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 0.62 0.00 0.00 0.85 0.00 0.00 6 Y 8.36 5.10 0.00 2.19 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 7 T 8.45 4.30 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 1.21 0.00 0.00 8 Y 8.51 5.16 0.00 2.84 3.03 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 9 K 8.67 4.42 0.00 1.67 1.74 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.41 7.81 10 R 6.83 4.34 0.00 1.15 0.66 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 11 E 8.59 4.03 0.00 2.03 1.75 0.00 0.00 0.00 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 1.87 0.00 12 S 7.92 4.71 0.00 3.90 4.02 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 13 R 8.68 4.12 0.00 1.68 1.89 0.00 3.18 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 14 Y 7.89 4.65 0.00 3.22 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 15 R 8.77 4.88 0.00 1.79 1.98 0.00 3.16 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 16 L 7.73 5.16 0.00 0.89 1.04 0.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.20 5.38 0.00 2.91 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 18 V 8.81 4.88 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 0.91 0.00 0.00 1.04 0.00 0.00 19 D 9.32 4.78 0.00 3.07 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 20 V 8.43 4.31 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 0.76 0.00 0.00 0.90 0.00 0.00 21 Q 8.08 4.10 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 S 8.32 4.16 0.00 3.86 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 23 D 8.49 4.42 0.00 2.70 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 24 I 7.56 3.98 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 1.29 0.78 0.90 0.00 0.00 25 I 7.27 4.18 1.84 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 1.16 0.97 0.88 0.00 0.00 26 D 8.56 4.68 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 27 T 8.05 4.41 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 28 P 0.00 4.32 0.00 2.04 2.05 0.00 3.69 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 2.22 0.00 29 G 9.59 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 0.00 0.00 0.00 30 R 7.71 5.63 0.00 1.60 1.71 0.00 3.23 0.00 0.00 3.05 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 31 R 8.05 4.76 0.00 1.51 1.63 0.00 3.21 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 32 M 9.24 4.54 0.00 2.07 1.87 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 2.53 2.54 0.00 33 V 8.52 4.90 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 0.32 0.00 0.00 -0.04 0.00 0.00 34 I 8.71 4.62 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 1.23 0.67 0.95 0.00 0.00 35 P 0.00 4.72 0.00 0.77 1.35 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 36 L 8.39 5.30 0.00 1.10 1.57 0.34 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.09 5.17 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 38 S 9.05 3.93 0.00 3.74 3.70 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 39 A 8.87 4.00 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 40 R 7.79 4.02 0.00 1.87 1.99 0.00 2.97 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 41 L 7.86 4.26 0.00 1.88 1.73 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.60 4.74 0.00 1.56 1.46 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.25 4.51 0.00 3.99 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 44 D 8.39 4.62 0.00 2.95 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 45 K 7.87 4.07 0.00 2.02 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.25 7.81 46 V 7.44 3.86 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 0.59 0.00 0.00 0.85 0.00 0.00 47 S 8.96 4.15 0.00 3.95 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 48 R 8.58 4.45 0.00 1.95 1.99 0.00 3.48 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 49 E 8.27 3.97 0.00 2.11 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 0.00 2.40 1.86 0.00 50 L 7.82 3.90 0.00 1.40 1.40 0.57 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.78 5.03 0.00 3.06 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 52 P 0.00 4.62 0.00 2.11 1.99 0.00 3.89 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 2.12 1.94 0.00 53 V 8.29 4.84 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 0.72 0.00 0.00 0.97 0.00 0.00 54 V 9.13 4.60 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 0.72 0.00 0.00 1.12 0.00 0.00 55 H 8.92 5.37 0.00 3.04 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.92 4.47 2.21 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.99 0.00 0.00 57 G 8.31 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 58 D 8.97 4.71 0.00 2.68 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 59 E 8.21 4.54 0.00 2.23 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 2.15 2.08 0.00 60 S 7.91 5.16 0.00 3.62 3.66 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 61 W 9.20 5.47 0.00 3.21 3.03 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 62 R 9.37 5.01 0.00 1.90 1.94 0.00 3.35 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 63 M 9.27 4.48 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 64 M 8.73 4.88 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.87 0.00 65 T 8.30 3.84 3.94 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 1.02 0.00 0.00 66 T 7.99 3.95 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 1.05 0.00 0.00 67 D 7.93 4.81 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.45 4.37 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 69 A 8.48 4.64 1.09 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 0.00 0.00 70 S 8.55 4.64 0.00 3.80 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 71 V 8.35 4.62 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 0.34 0.00 0.00 0.56 0.00 0.00 72 P 0.00 4.74 0.00 2.22 2.16 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 73 V 8.57 3.58 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 0.94 0.00 0.00 0.87 0.00 0.00 74 S 8.12 4.20 0.00 4.02 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 75 V 8.03 4.16 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 0.83 0.00 0.00 1.21 0.00 0.00 76 I 7.69 4.68 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.56 0.00 0.00 77 G 8.72 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 78 E 8.76 4.46 0.00 2.18 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 0.00 2.36 1.88 0.00 79 E 8.81 4.18 0.00 1.80 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 2.11 2.05 0.00 80 V 8.50 4.44 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 0.72 0.00 0.00 0.83 0.00 0.00 81 A 7.24 4.45 1.16 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 82 D 8.61 5.00 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.71 0.00 1.84 1.54 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.38 3.78 0.00 4.01 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 0.00 85 H 8.15 4.34 0.00 3.27 3.44 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.67 4.43 0.00 1.74 1.84 0.00 3.26 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.64 0.00 87 E 7.48 3.17 0.00 1.29 1.65 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 2.22 2.21 0.00 88 N 7.89 4.31 0.00 2.86 2.83 0.00 0.00 7.11 8.08 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 89 D 7.97 4.35 0.00 2.82 2.71 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 0.00 0.00 0.00 90 I 7.92 3.79 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 1.11 0.00 0.00 91 K 8.50 4.03 0.00 2.05 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 92 N 8.47 4.34 0.00 2.97 2.86 0.00 0.00 6.94 7.09 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 93 A 8.01 4.11 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 94 I 7.83 3.56 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 1.12 0.00 0.00 95 N 8.60 4.57 0.00 2.92 3.10 0.00 0.00 6.69 7.17 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 96 L 8.02 4.02 0.00 1.87 1.83 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.43 3.71 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.83 0.00 98 F 7.14 3.90 0.00 1.51 1.45 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 99 W 7.83 5.21 0.00 3.38 3.16 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 0.00 100 G 8.21 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 *101 I 7.87 3.95 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 1.27 0.60 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.