NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6084 8.3649 120.5319 54.0795 42.2178 174.5758 3 I 4.0696 8.2892 125.4190 59.9110 38.2327 173.4637 4 R 4.4411 9.7837 128.8635 54.6787 32.7965 173.7257 5 Y 4.9203 8.3007 123.0731 56.2408 40.4080 174.9565 6 F 4.8403 9.3226 122.6112 55.9325 42.6867 175.7345 7 G 4.2262 8.9338 110.5892 46.8609 0.0000 173.7038 8 T 4.0614 7.9386 114.7915 63.2613 69.3304 174.7377 9 T 4.4943 8.3550 116.2487 58.7153 71.3573 173.2598 10 P 4.1780 0.0000 0.0000 64.3859 31.4543 177.4213 11 R 4.4277 7.0511 117.3243 57.4972 31.6259 175.0299 12 Y 4.7725 7.2928 113.3762 56.2614 40.9232 172.7040 13 S 5.0830 8.4503 116.3160 56.7668 64.6671 174.5867 14 E 4.0382 8.4490 122.9639 59.2653 30.2215 176.8622 15 A 5.1359 7.9855 118.7998 50.6088 23.3565 175.5539 16 V 4.8549 9.0097 119.5668 61.0803 35.2744 174.5320 17 G 4.7061 9.4807 114.5151 44.5627 0.0000 171.9711 18 A 4.7928 9.2350 125.2160 50.9124 22.8674 176.0578 19 N 4.1525 9.8543 122.9433 54.6976 37.5805 175.0195 20 G 4.0638 8.0633 105.5997 45.6276 0.0000 173.0087 21 L 4.6989 7.6888 120.1533 54.2914 43.5133 176.0185 22 I 4.9618 8.7036 123.0009 59.5752 40.9820 174.3283 23 F 5.0454 9.3739 126.2742 55.7203 40.9814 174.9680 24 L 4.8562 8.7466 124.6512 53.8043 42.6560 177.4844 25 S 4.2310 8.6676 118.4349 58.4100 63.6754 176.1582 26 G 4.2878 8.0911 108.7650 44.9854 0.0000 173.1249 *28 V 3.4282 7.9579 111.3393 59.9482 32.4527 173.6312 29 P 4.3292 0.0000 0.0000 62.9621 31.4896 176.5136 30 E 4.5741 9.6454 122.0390 56.7096 30.8569 175.5327 31 N 4.9717 7.8905 114.1001 52.2910 42.8437 174.7860 32 G 4.1529 8.8988 104.2708 46.3746 0.0000 172.9514 33 E 4.4986 9.6100 119.4479 57.4943 31.6137 177.9527 34 T 4.3696 7.8184 108.0732 60.4309 71.6049 175.1668 35 A 3.9716 8.6110 123.4018 55.6044 18.2612 180.0047 36 A 3.9469 8.3506 118.8532 55.2913 18.6080 179.7219 37 E 3.8852 8.0283 116.6377 59.8618 29.5300 179.7694 38 Q 4.1932 8.2973 118.0636 59.0242 28.6138 178.9379 39 T 3.7662 8.0325 116.7145 66.6002 68.4242 176.3709 40 A 3.9053 7.9019 122.6580 55.2827 18.4160 179.2646 41 D 4.2011 7.8682 115.9899 57.3543 41.3468 178.6757 42 V 3.4936 7.8889 118.9610 66.0536 31.5751 178.1156 43 L 3.4739 8.0404 118.7104 57.2557 41.2714 179.3402 44 A 4.0481 7.6998 120.8303 54.8970 18.1813 179.7789 45 Q 3.9289 7.9810 116.5167 59.2281 28.7871 178.7556 46 I 3.8372 7.8230 120.7931 64.6769 37.1973 178.1546 47 D 4.5050 8.3706 119.5712 57.4670 40.6876 179.1508 48 R 3.7548 7.8160 118.3054 59.1225 30.0674 179.2496 49 W 4.2563 8.3045 118.8286 59.5162 29.0610 178.6400 50 L 3.9990 8.3728 119.0414 57.7799 40.9654 179.4157 51 A 3.9486 7.9440 120.4871 55.1905 18.0861 179.4451 52 E 3.9068 7.7731 115.8928 59.6432 29.6586 178.6203 53 C 3.9760 7.6758 113.3587 59.0408 28.5859 173.7573 54 G 3.7811 7.9356 109.1323 46.7532 0.0000 173.2848 55 S 4.7744 8.1471 115.2219 57.2908 65.5505 171.3194 56 D 4.5302 7.9808 117.7970 52.4694 41.2109 176.2132 57 K 3.7920 8.5562 117.9173 59.4139 32.2307 177.4742 58 A 4.2332 7.8051 120.7810 52.8184 18.7516 176.8887 59 H 4.8208 8.4965 114.4363 55.4258 30.0151 172.9897 60 V 4.4479 7.8310 118.9874 61.9216 32.6640 175.2619 61 L 4.4466 8.6491 126.8688 56.6776 43.3870 176.2940 62 D 5.2709 7.8620 116.4772 52.7636 45.2980 174.1879 63 A 5.1086 9.2468 126.6148 50.6003 22.8286 174.8011 64 V 4.4703 8.6533 123.3242 61.2877 33.8880 174.5399 65 I 4.6770 8.4315 129.0427 59.7807 39.6686 173.9793 66 Y 5.1312 9.1049 125.9742 56.4948 39.9066 174.8105 67 L 5.0983 8.6314 123.9025 52.8089 44.2306 177.4009 68 R 4.0734 8.7731 124.4571 58.7406 30.6712 175.2667 69 D 4.9979 7.0704 115.8566 51.9607 43.8209 174.9362 *71 G 3.8998 8.5930 105.2431 45.5631 0.0000 172.9575 72 D 4.8002 8.2156 119.4941 54.1606 41.4313 177.5555 73 Y 4.0163 8.2428 121.1314 60.8237 39.1096 177.3399 74 A 3.9699 8.2154 122.0584 55.2708 18.9742 179.5169 75 E 4.1845 7.7114 112.4972 57.4420 29.3373 178.0366 *77 N 4.7225 8.2837 116.9884 52.8167 40.5669 176.8928 78 G 3.6690 8.2614 104.2660 47.8203 0.0000 175.5319 79 V 3.8631 7.5103 119.5232 65.0559 31.6559 177.8150 80 W 4.3338 8.2296 127.6622 60.9099 30.4048 177.4266 81 D 4.4452 8.5575 117.3847 57.4077 40.3439 178.3973 82 A 4.1710 7.6373 118.3411 53.6538 18.5567 178.8000 83 W 4.2955 7.8160 126.3575 58.8174 31.5544 177.3879 84 V 2.8051 6.8746 109.9996 60.9275 31.7007 175.4426 85 A 3.8766 7.7961 125.8346 51.0717 18.7704 177.0986 86 A 3.9993 8.3977 126.6823 53.8821 18.6985 177.8671 87 G 4.0048 9.0334 110.2969 45.8909 0.0000 173.5409 88 R 4.6642 7.7894 118.5671 55.5981 31.2536 175.6311 89 T 4.1270 7.8687 107.5590 60.6519 69.9662 172.5551 90 P 4.7751 0.0000 0.0000 61.7680 33.2678 175.3352 91 A 4.2759 8.7775 122.2494 52.2256 19.2376 176.7674 92 R 5.1362 8.4863 120.5292 54.6634 33.8054 174.0190 93 A 4.7351 8.7596 125.2885 50.3098 23.0443 174.4929 94 C 5.1101 8.5552 120.2980 57.7691 34.4110 173.3953 95 V 4.5548 8.4804 118.1270 59.7108 36.2840 173.6898 96 E 5.1614 8.6127 122.2808 54.9053 31.3786 174.4629 97 A 4.8478 9.0042 128.2787 50.5328 23.0653 175.8670 98 R 4.1182 8.7500 121.4178 56.2490 30.5853 176.2910 99 L 4.6950 8.1135 120.5499 52.7000 44.3434 177.2129 100 A 4.0391 8.8684 121.4334 54.4903 18.5465 178.0178 101 R 4.3137 6.3360 110.8560 53.3501 32.7978 175.3592 102 P 4.2120 0.0000 0.0000 65.4839 31.4843 177.5984 103 E 4.1827 7.7996 115.3644 57.1280 29.8576 176.4502 104 W 4.7233 7.6843 120.4359 56.5343 29.4145 176.2440 105 R 4.6691 9.7578 123.3022 56.9292 31.1831 176.7166 106 V 5.1075 7.5422 117.0815 60.4315 34.5000 173.4173 107 E 4.6808 9.4425 123.8772 54.7202 33.3680 173.7728 108 I 4.9830 8.4188 126.4138 59.3587 40.6182 174.4130 109 K 4.5981 9.3666 128.8308 54.7523 34.3147 174.6275 110 I 5.1221 8.4438 127.7659 59.8593 40.4749 174.5155 111 T 4.9056 8.8063 122.2043 61.8098 71.7618 173.1587 112 A 5.0616 9.0535 127.0544 50.5018 23.5652 174.5773 113 V 4.8651 8.2475 117.5355 59.5833 34.1170 176.2793 114 K 4.2796 8.9344 122.9554 56.5905 32.4979 177.3563 115 R 4.0188 8.3573 123.3555 56.2243 30.9567 176.7274 116 D 4.4812 8.4863 120.6291 54.6903 41.0330 176.5422 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 2 D 8.36 4.61 0.00 2.67 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 3 I 8.29 4.07 1.71 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.19 0.00 0.00 4 R 9.78 4.44 0.00 1.73 1.45 0.00 2.21 0.00 0.00 2.78 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 5 Y 8.30 4.92 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.32 4.84 0.00 2.99 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 7 G 8.93 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 0.00 0.00 0.00 0.00 8 T 7.94 4.06 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 1.06 0.00 0.00 9 T 8.35 4.49 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 0.88 0.00 0.00 10 P 0.00 4.18 0.00 2.03 2.11 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 11 R 7.05 4.43 0.00 1.93 2.04 0.00 3.52 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 12 Y 7.29 4.77 0.00 3.22 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 13 S 8.45 5.08 0.00 3.92 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 14 E 8.45 4.04 0.00 1.16 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 2.27 1.90 0.00 15 A 7.99 5.14 1.20 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 0.00 0.00 16 V 9.01 4.85 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 0.81 0.00 0.00 1.03 0.00 0.00 17 G 9.48 4.71 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 0.00 0.00 0.00 18 A 9.23 4.79 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 19 N 9.85 4.15 0.00 2.81 2.86 0.00 0.00 7.26 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 20 G 8.06 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.69 4.70 0.00 1.95 1.50 1.01 0.34 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 22 I 8.70 4.96 1.91 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 1.24 0.67 0.89 0.00 0.00 23 F 9.37 5.05 0.00 2.90 2.99 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 24 L 8.75 4.86 0.00 1.56 1.59 1.03 1.24 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 25 S 8.67 4.23 0.00 3.75 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 26 G 8.09 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 *28 V 7.96 3.43 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 0.00 0.00 0.24 0.00 0.00 0.14 0.00 0.00 29 P 0.00 4.33 0.00 1.96 1.93 0.00 2.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 30 E 9.65 4.57 0.00 2.02 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 2.29 2.22 0.00 31 N 7.89 4.97 0.00 2.76 2.67 0.00 0.00 7.13 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 32 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 33 E 9.61 4.50 0.00 1.92 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 2.27 2.23 0.00 34 T 7.82 4.37 4.39 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 1.27 0.00 0.00 35 A 8.61 3.97 1.40 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 0.00 0.00 36 A 8.35 3.95 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 37 E 8.03 3.89 0.00 2.22 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 2.34 2.36 0.00 38 Q 8.30 4.19 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 39 T 8.03 3.77 4.37 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 1.21 0.00 0.00 40 A 7.90 3.91 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 41 D 7.87 4.20 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.49 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 0.88 0.00 0.00 0.85 0.00 0.00 43 L 8.04 3.47 0.00 1.15 0.15 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.70 4.05 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 45 Q 7.98 3.93 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 46 I 7.82 3.84 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 1.08 0.00 0.00 47 D 8.37 4.51 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.75 0.00 1.93 1.44 0.00 2.90 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 49 W 8.30 4.26 0.00 3.44 3.20 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 50 L 8.37 4.00 0.00 1.78 1.71 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 3.95 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 52 E 7.77 3.91 0.00 2.15 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 2.14 2.18 0.00 53 C 7.68 3.98 0.00 2.89 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 54 G 7.94 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 55 S 8.15 4.77 0.00 3.69 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 56 D 7.98 4.53 0.00 2.82 2.68 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 57 K 8.56 3.79 0.00 0.79 1.54 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.48 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.04 0.85 7.81 58 A 7.81 4.23 1.20 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 0.00 0.00 59 H 8.50 4.82 0.00 3.26 3.36 0.00 5.80 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.83 4.45 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 1.01 0.00 0.00 1.07 0.00 0.00 61 L 8.65 4.45 0.00 1.62 1.67 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.86 5.27 0.00 2.75 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 63 A 9.25 5.11 1.40 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 0.00 0.00 64 V 8.65 4.47 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 0.06 0.00 0.00 0.88 0.00 0.00 65 I 8.43 4.68 1.59 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.17 0.76 0.00 0.00 66 Y 9.10 5.13 0.00 2.85 2.85 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 67 L 8.63 5.10 0.00 1.62 1.59 1.04 0.61 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 68 R 8.77 4.07 0.00 2.04 2.03 0.00 3.20 0.00 0.00 3.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.07 5.00 0.00 2.71 2.50 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 *71 G 8.59 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 0.00 0.00 0.00 72 D 8.22 4.80 0.00 2.92 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 73 Y 8.24 4.02 0.00 2.81 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 74 A 8.22 3.97 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 75 E 7.71 4.18 0.00 1.89 2.04 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 2.32 2.30 0.00 *77 N 8.28 4.72 0.00 2.83 2.76 0.00 0.00 6.91 7.59 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 78 G 8.26 3.67 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 0.00 0.00 0.00 0.00 79 V 7.51 3.86 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 1.00 0.00 0.00 0.99 0.00 0.00 80 W 8.23 4.33 0.00 3.46 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 81 D 8.56 4.45 0.00 2.78 2.78 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 82 A 7.64 4.17 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 83 W 7.82 4.30 0.00 3.22 3.19 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 84 V 6.87 2.81 1.77 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 -0.13 0.00 0.00 0.80 0.00 0.00 85 A 7.80 3.88 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 86 A 8.40 4.00 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 87 G 9.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.66 0.00 1.72 1.74 0.00 3.07 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 89 T 7.87 4.13 4.35 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 1.19 0.00 0.00 90 P 0.00 4.78 0.00 2.26 2.37 0.00 4.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 91 A 8.78 4.28 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 92 R 8.49 5.14 0.00 1.81 1.69 0.00 2.21 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.25 0.00 93 A 8.76 4.74 1.11 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 0.00 0.00 94 C 8.56 5.11 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.48 4.55 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 0.62 0.00 0.00 0.98 0.00 0.00 96 E 8.61 5.16 0.00 2.04 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 2.32 2.47 0.00 97 A 9.00 4.85 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 98 R 8.75 4.12 0.00 1.81 1.87 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.11 4.69 0.00 1.99 1.91 1.09 0.95 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 0.00 100 A 8.87 4.04 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 0.00 101 R 6.34 4.31 0.00 0.67 1.36 0.00 2.83 0.00 0.00 2.72 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 102 P 0.00 4.21 0.00 1.97 2.06 0.00 3.45 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 E 7.80 4.18 0.00 2.00 2.04 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 2.29 2.34 0.00 104 W 7.68 4.72 0.00 3.44 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 0.00 105 R 9.76 4.67 0.00 1.84 2.01 0.00 3.17 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 106 V 7.54 5.11 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 0.59 0.00 0.00 0.95 0.00 0.00 107 E 9.44 4.68 0.00 1.99 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 0.00 2.30 2.22 0.00 108 I 8.42 4.98 1.85 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 0.75 0.95 0.00 0.00 109 K 9.37 4.60 0.00 1.94 1.74 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 I 8.44 5.12 1.94 0.00 0.00 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 1.43 1.00 1.00 0.00 0.00 111 T 8.81 4.91 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 0.74 0.00 0.00 112 A 9.05 5.06 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 0.00 113 V 8.25 4.87 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 0.82 0.00 0.00 0.99 0.00 0.00 114 K 8.93 4.28 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.44 7.81 115 R 8.36 4.02 0.00 1.62 1.77 0.00 3.03 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.33 0.00 116 D 8.49 4.48 0.00 2.66 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 * Residues marked with a * may have inaccurate shift predictions.