NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4193 8.3193 116.8056 58.8671 64.6012 174.6830 3 H 4.3602 8.0937 122.2974 54.4642 26.8511 173.0683 *5 H 4.7997 8.6567 124.0298 56.8190 31.8527 178.2436 6 R 4.6866 7.5658 117.5996 56.5137 30.1905 179.0752 7 V 3.8482 7.5880 119.0548 63.7725 32.1817 178.0009 8 I 2.6950 6.6925 120.6080 63.1591 36.8513 176.2738 9 N 4.7703 7.3175 114.3404 52.8731 39.2996 174.3448 10 H 4.3877 8.3159 120.5162 54.9955 30.5397 174.4665 11 P 4.1066 0.0000 0.0000 65.4383 31.4945 176.6948 12 Y 4.3814 8.3065 113.6461 57.7701 38.3314 174.0203 13 Y 4.8480 7.7310 122.5528 56.7040 39.5800 174.6236 14 F 4.0414 7.6569 125.3104 54.6544 42.3412 173.1273 15 P 4.3435 0.0000 0.0000 63.1394 31.4207 176.2057 16 F 5.1921 7.4102 116.5856 57.5078 41.0298 176.1103 17 N 4.9440 8.7760 121.6006 51.5920 40.4473 176.2556 18 G 3.5700 8.4208 105.8564 47.9604 0.0000 175.5502 19 K 3.8398 7.9695 121.7368 59.3508 32.1928 178.7738 20 Q 3.7023 8.8857 118.4511 58.5751 28.5058 178.5801 21 A 3.8893 7.8168 121.9238 55.0509 18.4207 179.5137 22 E 2.8204 7.8081 117.0187 59.3022 29.1924 179.3495 23 D 4.1658 7.5013 117.5123 57.3691 40.8906 177.9080 24 Y 3.9966 7.6411 119.3564 60.5921 39.0316 177.7635 25 L 4.0644 7.9958 118.8577 56.2801 41.6123 178.8039 26 R 4.0964 7.4294 119.5724 59.3299 29.9121 177.1235 27 S 4.4323 7.7489 108.4569 58.3527 63.6839 173.9742 28 K 4.3082 7.7333 121.7073 55.4166 33.2588 176.1357 29 E 4.3118 8.3467 118.7243 55.7653 30.1615 177.0262 30 R 4.2725 8.3846 120.5605 58.2666 30.5987 176.7215 31 G 4.3313 9.5412 110.7760 45.4469 0.0000 173.6297 32 D 4.9456 8.1465 119.3669 54.9890 42.4687 175.0675 33 F 5.5680 8.1633 116.6983 56.3659 41.1847 173.2224 34 V 4.9919 9.0774 111.2421 60.0311 36.3950 174.5713 35 I 5.1988 9.2355 124.0559 59.9945 39.9269 175.0371 36 R 4.9181 9.1088 121.5585 54.7572 33.4791 174.1796 37 Q 4.6721 8.6903 118.2830 56.1406 29.8540 175.8675 38 S 4.7949 8.3665 114.3877 56.6071 65.8042 174.6465 39 S 4.4575 8.9471 119.9166 59.6659 62.8942 175.2644 40 R 3.8982 7.8278 120.7695 57.4497 30.2800 176.4566 41 G 4.4638 7.0308 106.5725 43.6687 0.0000 173.5411 42 D 4.4645 8.2798 119.9965 56.5286 41.1160 177.0894 43 D 4.9474 8.0998 118.1143 53.3757 40.6221 175.5234 44 H 5.5632 8.1415 114.4405 54.8954 32.5763 172.6163 45 L 4.9800 8.7497 118.7091 53.5261 46.9081 174.8863 46 A 5.3226 9.3855 121.4081 50.3655 22.7205 175.1109 47 I 4.9992 8.9595 121.2266 59.7863 40.6607 174.8833 48 T 5.2557 8.9101 122.6193 61.5430 71.7951 173.1187 49 W 5.8007 8.9940 122.4854 54.5174 32.6193 174.1041 50 K 4.5144 9.1749 123.1057 55.8456 32.0485 177.2443 51 L 3.8435 8.1128 130.5457 57.2905 42.6129 175.2746 52 D 4.2195 6.8610 115.2358 53.2390 43.9781 173.7157 53 K 3.9310 8.6057 121.3519 57.9014 32.0787 175.8527 54 D 4.4359 8.7116 124.3604 54.8465 38.5562 172.6820 55 L 4.4379 6.9844 121.1332 53.1434 44.5998 175.3276 56 F 5.0776 8.4942 123.5645 55.6832 43.2635 174.0655 57 Q 4.5640 8.3278 119.9841 54.3352 31.7999 174.1964 58 H 5.3967 8.8569 120.1202 54.0892 31.0435 173.7014 59 V 4.5754 9.3892 123.8817 61.0740 34.4928 173.7091 60 D 5.1458 8.7646 126.2417 53.2449 42.8987 175.2976 61 I 4.7591 8.6572 125.4701 59.5485 40.3772 174.0961 62 Q 4.8723 8.9427 128.2549 54.2074 31.5845 174.0603 63 E 5.2191 8.8647 127.1951 53.7032 32.1297 174.6127 *65 E 4.1926 8.4590 122.9221 55.3692 30.6092 175.6836 66 K 3.9496 8.3797 125.1111 56.9873 32.5792 177.2852 67 E 4.0480 8.7827 122.9394 58.9685 29.8707 177.2793 68 N 4.4148 8.0873 118.6024 52.6074 39.3911 173.6614 69 P 4.2940 0.0000 0.0000 65.2876 31.4007 176.9847 70 L 4.2884 8.5682 116.9608 54.8778 42.3492 176.1625 71 A 4.2723 7.4656 120.6194 50.9326 20.8356 175.8989 *73 G 3.8336 8.0618 103.6001 46.4358 0.0000 171.5809 74 K 5.1913 8.4329 118.0540 54.6349 36.2054 175.9946 75 V 4.6925 8.1684 118.7842 60.2426 35.2134 174.2382 76 L 5.0892 9.4575 122.4034 53.1412 44.9225 175.5711 77 V 5.0079 8.8910 122.0122 61.2193 35.0340 174.4626 78 V 4.6252 8.9164 127.1397 61.0897 34.3405 175.1630 79 E 3.6631 10.1715 130.0451 57.4220 27.0585 175.0313 80 G 4.1437 8.5210 106.4270 45.6493 0.0000 174.5586 81 Q 4.0585 7.9432 118.7824 55.3821 29.4327 175.1281 82 R 4.9449 7.9090 120.7963 54.8072 32.2384 175.4012 83 Y 4.7688 9.0347 118.7098 56.7254 41.8204 175.7394 84 H 4.8306 9.0706 117.5689 55.9099 29.7807 174.6820 85 D 4.6429 7.6558 119.1873 51.6079 44.4271 175.1728 86 L 3.8477 8.6208 126.9581 58.6470 41.9048 179.0713 87 D 4.4477 8.6568 118.7639 57.5258 40.6845 178.9061 88 Q 4.0022 8.0963 118.6533 58.8115 28.6727 178.7716 89 I 3.2313 7.2971 120.4773 64.0750 37.1138 178.2278 90 I 3.5762 7.5073 120.4540 64.2790 36.8674 178.5109 91 V 3.5447 7.8190 118.9574 66.2237 31.3520 177.9056 92 E 3.9112 7.9721 118.1116 59.6451 29.2285 179.0233 93 Y 3.3603 7.6196 116.5725 60.3974 37.6648 178.1350 94 L 4.2344 8.0493 120.3848 57.7911 41.6862 179.4569 95 Q 3.9537 8.3688 118.6045 58.6109 28.5190 178.1690 96 N 4.1152 7.7799 118.3185 56.4123 38.7330 176.8461 97 K 3.9930 7.8085 119.7926 59.6587 32.7463 178.4793 98 I 3.8779 8.0163 120.2426 64.3036 36.7723 178.3762 99 R 3.9005 7.9135 118.6126 59.4414 30.0791 178.3351 100 L 4.1743 7.9619 116.8170 56.5236 41.6323 177.4601 101 L 4.3278 7.5425 124.8625 55.2535 42.2279 175.7792 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 S 8.32 4.42 0.00 3.75 4.25 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 3 H 8.09 4.36 0.00 3.24 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 H 8.66 4.80 0.00 3.23 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.57 4.69 0.00 1.87 1.90 0.00 3.10 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 7 V 7.59 3.85 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 0.65 0.00 0.00 0.93 0.00 0.00 8 I 6.69 2.70 1.68 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.80 0.00 0.00 9 N 7.32 4.77 0.00 2.68 2.77 0.00 0.00 6.93 8.04 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 10 H 8.32 4.39 0.00 3.19 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.11 0.00 2.02 1.97 0.00 3.35 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 1.96 2.03 0.00 12 Y 8.31 4.38 0.00 3.25 3.10 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 0.00 0.00 0.00 0.00 13 Y 7.73 4.85 0.00 2.98 2.95 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 14 F 7.66 4.04 0.00 2.33 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 15 P 0.00 4.34 0.00 2.11 2.02 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 16 F 7.41 5.19 0.00 2.99 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 17 N 8.78 4.94 0.00 3.01 3.00 0.00 0.00 7.16 6.58 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 18 G 8.42 3.57 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 0.00 0.00 0.00 19 K 7.97 3.84 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 Q 8.89 3.70 0.00 2.05 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 21 A 7.82 3.89 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 0.00 0.00 22 E 7.81 2.82 0.00 1.77 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 1.65 2.33 0.00 23 D 7.50 4.17 0.00 2.55 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 24 Y 7.64 4.00 0.00 2.38 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 25 L 8.00 4.06 0.00 1.77 1.87 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.43 4.10 0.00 2.01 2.03 0.00 3.25 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 27 S 7.75 4.43 0.00 3.95 3.89 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 0.00 0.00 0.00 28 K 7.73 4.31 0.00 1.86 1.93 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.34 7.81 29 E 8.35 4.31 0.00 2.06 1.91 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 2.42 2.31 0.00 30 R 8.38 4.27 0.00 1.87 1.99 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 31 G 9.54 4.33 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 0.00 32 D 8.15 4.95 0.00 3.06 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 33 F 8.16 5.57 0.00 3.21 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 34 V 9.08 4.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 1.03 0.00 0.00 35 I 9.24 5.20 2.09 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 1.41 1.05 1.07 0.00 0.00 36 R 9.11 4.92 0.00 1.92 1.98 0.00 2.98 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 37 Q 8.69 4.67 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 38 S 8.37 4.79 0.00 3.89 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 39 S 8.95 4.46 0.00 4.02 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 40 R 7.83 3.90 0.00 1.62 1.63 0.00 3.22 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 41 G 7.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.46 0.00 2.70 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 43 D 8.10 4.95 0.00 2.86 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 44 H 8.14 5.56 0.00 3.23 3.23 0.00 5.62 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 45 L 8.75 4.98 0.00 1.59 1.56 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.39 5.32 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 47 I 8.96 5.00 1.66 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 1.13 0.87 0.51 0.00 0.00 48 T 8.91 5.26 4.32 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 1.08 0.00 0.00 49 W 8.99 5.80 0.00 3.76 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.17 4.51 0.00 2.12 1.90 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.22 7.81 51 L 8.11 3.84 0.00 0.84 1.37 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 D 6.86 4.22 0.00 2.62 2.30 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 53 K 8.61 3.93 0.00 1.69 1.65 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 54 D 8.71 4.44 0.00 2.79 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 55 L 6.98 4.44 0.00 1.45 1.18 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.49 5.08 0.00 2.95 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 57 Q 8.33 4.56 0.00 0.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 58 H 8.86 5.40 0.00 3.05 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.39 4.58 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 1.05 0.00 0.00 1.25 0.00 0.00 60 D 8.76 5.15 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 4.76 1.89 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 1.11 0.56 0.90 0.00 0.00 62 Q 8.94 4.87 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 63 E 8.86 5.22 0.00 1.97 1.91 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 2.25 2.15 0.00 *65 E 8.46 4.19 0.00 1.97 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 2.19 2.40 0.00 66 K 8.38 3.95 0.00 1.99 1.76 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.60 7.81 67 E 8.78 4.05 0.00 1.94 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 2.32 2.36 0.00 68 N 8.09 4.41 0.00 2.72 2.70 0.00 0.00 6.98 7.71 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 69 P 0.00 4.29 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 70 L 8.57 4.29 0.00 1.69 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.47 4.27 1.21 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 0.00 0.00 0.00 *73 G 8.06 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 0.00 0.00 0.00 74 K 8.43 5.19 0.00 1.46 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 75 V 8.17 4.69 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 0.91 0.00 0.00 1.01 0.00 0.00 76 L 9.46 5.09 0.00 1.67 1.63 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.89 5.01 2.13 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 1.02 0.00 0.00 0.96 0.00 0.00 78 V 8.92 4.63 2.33 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 1.05 0.00 0.00 0.95 0.00 0.00 79 E 10.17 3.66 0.00 2.19 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 2.40 0.00 80 G 8.52 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.06 0.00 2.32 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 82 R 7.91 4.94 0.00 1.65 1.77 0.00 3.12 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 83 Y 9.03 4.77 0.00 2.85 2.87 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 84 H 9.07 4.83 0.00 3.26 3.47 0.00 5.76 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 85 D 7.66 4.64 0.00 2.82 2.45 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 86 L 8.62 3.85 0.00 1.69 1.62 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.66 4.45 0.00 2.86 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 88 Q 8.10 4.00 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 89 I 7.30 3.23 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.20 0.83 0.00 0.00 90 I 7.51 3.58 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 0.96 0.00 0.00 91 V 7.82 3.54 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 1.11 0.00 0.00 1.00 0.00 0.00 92 E 7.97 3.91 0.00 2.01 1.47 0.00 0.00 0.00 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 2.27 0.00 93 Y 7.62 3.36 0.00 1.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.23 0.00 1.86 1.78 1.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.37 3.95 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 96 N 7.78 4.12 0.00 2.48 2.62 0.00 0.00 6.77 7.04 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 97 K 7.81 3.99 0.00 2.20 2.13 0.00 2.11 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.81 7.81 98 I 8.02 3.88 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.92 0.00 0.00 99 R 7.91 3.90 0.00 1.86 2.12 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 100 L 7.96 4.17 0.00 1.89 1.79 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.54 4.33 0.00 1.70 1.80 0.95 0.70 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 * Residues marked with a * may have inaccurate shift predictions.