NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 M 4.4951 8.1633 118.7933 54.2829 35.1586 177.9154 4 D 4.1940 8.9746 120.4999 53.9371 40.3947 170.9216 5 E 4.3019 9.3837 130.4868 57.0583 31.9552 177.0053 6 G 4.4436 8.0065 109.5648 45.2493 0.0000 173.4246 7 L 4.2254 8.2713 121.2954 53.3075 42.4874 175.6326 8 P 4.3051 0.0000 0.0000 62.5372 31.9769 175.8460 9 P 4.1847 0.0000 0.0000 66.0827 31.2122 178.3428 10 E 3.9500 8.1477 117.3462 59.2369 29.5601 178.4047 11 E 3.9619 8.3164 119.5046 59.0365 29.6422 178.7179 12 V 3.4836 7.7321 117.8583 66.2317 31.4988 177.7520 13 E 3.9454 8.2527 118.1154 59.3376 29.2520 179.4642 14 R 4.0149 7.9857 118.0965 59.4472 30.1454 179.1046 15 I 3.2579 7.7398 119.5230 64.0687 36.9228 178.4748 16 R 3.7287 8.1070 119.4460 59.4209 30.1112 178.3674 17 A 4.0113 8.2455 120.7798 55.0557 18.2536 179.3259 18 F 4.0682 8.3972 119.0755 61.4945 39.5681 177.3388 19 L 3.9053 8.1879 118.5633 58.0072 41.1941 179.4970 20 Q 3.9957 8.1448 117.0205 59.0941 28.4833 178.6681 21 E 4.0521 8.0045 119.2209 59.4087 29.2751 179.5506 22 R 3.9480 7.3732 117.0352 58.1698 30.3890 178.0080 23 I 4.2293 7.6510 111.3116 59.4998 37.9559 175.3184 24 R 3.8728 6.9118 120.4208 58.3630 29.9687 176.4814 25 G 3.9842 8.9942 112.4051 45.9361 0.0000 173.5648 26 R 4.4924 8.2529 117.0461 55.9713 32.3639 175.2458 27 A 4.6340 7.4382 117.9561 50.9276 22.0494 175.9159 28 L 4.3769 9.0419 120.6568 57.5740 42.3839 177.1807 29 E 4.8093 7.5841 113.8798 55.9587 32.4630 174.9573 30 V 5.0960 8.4441 113.2443 60.1208 34.6460 174.8720 31 H 4.7231 9.0671 118.7991 54.4225 32.4099 171.9032 32 D 4.3062 8.6078 114.0850 55.3320 39.2119 173.5098 33 L 4.5319 7.6674 118.1060 54.9634 42.9373 178.5515 34 K 4.7575 9.4335 123.7435 54.8038 35.8495 175.6326 35 T 5.7996 8.3954 113.9307 59.1584 72.9194 172.4943 36 R 5.3343 7.9196 115.6741 56.5635 32.3122 173.0693 37 R 5.1479 8.7824 119.6006 54.6762 33.2594 175.1667 38 A 4.5348 9.2482 128.5461 51.0981 21.2643 176.8081 39 G 3.9481 8.3454 114.5871 47.2091 0.0000 171.9972 40 P 4.4899 0.0000 0.0000 63.2645 31.4878 175.7286 41 R 4.8327 7.8966 119.0383 54.4820 32.9261 175.0097 42 S 5.2408 8.5684 117.3095 56.5251 66.5512 172.8404 43 F 5.1568 9.4675 119.8416 55.6875 42.6311 173.9093 44 L 5.4243 9.0077 124.0905 53.2242 45.3595 174.8028 45 E 5.7345 9.8057 124.1376 53.8402 32.8064 174.7879 46 F 5.5553 8.1145 115.3990 56.4121 42.2820 171.9858 47 H 5.2967 9.5292 116.6674 54.0889 30.9490 173.8741 48 L 5.0271 8.8332 126.1471 53.4640 43.9982 175.1704 49 V 4.5162 8.6516 128.0766 62.1615 32.8146 175.2708 50 V 4.8181 8.7039 120.7639 58.9580 36.4900 175.2378 51 R 4.0356 8.5100 120.3947 56.2499 30.3003 178.3510 52 G 3.7763 8.9130 112.2654 48.7070 0.0000 173.7731 53 D 4.5604 7.9392 116.1907 53.7921 40.0224 176.5289 54 T 3.9176 7.9178 118.8400 63.1751 68.9450 173.1140 55 P 4.4194 0.0000 0.0000 62.0660 33.4102 177.4144 56 V 3.5759 8.3904 120.5399 66.4527 31.2865 178.0191 57 E 3.9794 8.2223 118.2841 59.1978 29.1528 178.4115 58 E 3.8966 7.9959 118.5371 59.2879 29.9721 178.1801 59 A 3.9940 8.0380 120.8294 55.7132 18.2808 179.1342 60 H 4.1476 8.7591 116.9648 59.1743 29.9035 177.6276 61 R 3.8903 7.8142 120.2595 59.2880 29.8423 178.7499 62 L 4.0084 7.7005 119.8746 58.1312 41.9591 178.7413 63 C 4.1009 7.9388 116.8011 62.9070 28.0775 175.8000 64 D 4.3037 8.1634 120.4870 57.3694 40.3601 178.4986 65 E 3.9761 8.1560 118.9898 59.6761 29.4442 179.6258 66 L 4.1172 8.2556 118.9287 57.8273 41.7137 179.3625 67 E 4.0591 8.4935 118.7042 59.5583 29.4147 179.7610 68 R 3.9300 8.1160 117.7397 59.1890 30.2047 178.8386 69 A 4.1509 8.2997 120.6959 55.3455 18.3937 179.7311 70 L 3.9865 8.5432 117.4861 57.9855 41.5266 179.6053 71 A 4.2708 7.8088 120.8413 54.7053 18.3308 179.4067 72 Q 4.0449 7.9505 115.6255 58.8211 29.0212 178.0995 73 A 4.0363 7.7997 120.0842 52.7432 19.7822 177.6759 74 F 4.5196 7.9047 116.0342 53.9922 39.6634 170.9994 75 P 4.3540 0.0000 0.0000 64.1402 31.9605 176.2036 76 G 3.9779 9.0486 110.8526 45.0441 0.0000 172.7625 77 L 4.7368 8.0978 122.7863 54.1267 43.4765 175.8082 78 Q 4.8268 9.0492 124.6610 53.9801 32.3794 174.0760 79 A 5.4408 8.7334 124.4662 50.5434 21.9631 175.6662 80 T 4.5445 8.9623 118.5562 61.7763 71.1916 173.3549 81 I 4.2554 8.2413 126.9507 59.4828 39.7006 174.3502 82 H 4.7094 8.7780 127.7278 54.4682 31.2788 173.6007 83 V 4.4639 8.1393 126.3086 62.3872 32.4765 174.8400 84 E 4.8559 9.0187 126.0600 53.8985 34.3367 173.6982 85 P 5.1570 0.0000 0.0000 61.5086 33.1071 177.5290 86 E 4.0253 8.7412 113.9509 58.7471 29.5727 178.0410 87 G 3.8046 8.0357 104.8019 48.1444 0.0000 173.9618 88 E 4.3698 8.1247 118.2927 56.4058 29.9917 177.0212 89 R 4.3154 7.6211 116.2405 55.5999 30.0218 176.8595 90 K 3.8523 9.0879 120.0602 57.7571 32.7690 177.2135 91 R 4.1783 8.4520 119.4651 56.9958 30.8272 175.9347 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 *3 M 8.16 4.50 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 4 D 8.97 4.19 0.00 2.85 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 0.00 0.00 0.00 0.00 5 E 9.38 4.30 0.00 2.14 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 0.00 2.32 2.29 0.00 6 G 8.01 4.44 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 0.00 0.00 0.00 7 L 8.27 4.23 0.00 1.62 1.63 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.31 0.00 2.18 1.99 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 9 P 0.00 4.18 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 10 E 8.15 3.95 0.00 2.00 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 2.39 2.32 0.00 11 E 8.32 3.96 0.00 2.09 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 2.24 2.36 0.00 12 V 7.73 3.48 2.19 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 1.06 0.00 0.00 0.95 0.00 0.00 13 E 8.25 3.95 0.00 2.04 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 2.53 2.49 0.00 14 R 7.99 4.01 0.00 2.15 2.26 0.00 3.24 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 1.74 1.86 0.00 15 I 7.74 3.26 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 0.58 0.00 0.00 16 R 8.11 3.73 0.00 1.95 2.04 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 17 A 8.25 4.01 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 18 F 8.40 4.07 0.00 3.50 3.41 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 19 L 8.19 3.91 0.00 1.74 1.51 -0.19 0.68 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 20 Q 8.14 4.00 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 21 E 8.00 4.05 0.00 1.99 1.84 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 2.28 2.44 0.00 22 R 7.37 3.95 0.00 1.69 1.86 0.00 3.18 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.11 0.00 23 I 7.65 4.23 1.88 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 1.58 1.21 0.97 0.00 0.00 24 R 6.91 3.87 0.00 1.80 1.97 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 25 G 8.99 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.25 4.49 0.00 1.84 1.94 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 27 A 7.44 4.63 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 28 L 9.04 4.38 0.00 1.60 1.75 0.93 0.83 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 29 E 7.58 4.81 0.00 2.02 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 2.22 2.32 0.00 30 V 8.44 5.10 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 0.87 0.00 0.00 0.83 0.00 0.00 31 H 9.07 4.72 0.00 3.17 3.42 0.00 5.43 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.61 4.31 0.00 2.80 2.37 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 33 L 7.67 4.53 0.00 1.55 1.60 0.93 0.75 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 34 K 9.43 4.76 0.00 1.68 1.68 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 35 T 8.40 5.80 4.26 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 1.19 0.00 0.00 36 R 7.92 5.33 0.00 1.88 2.03 0.00 2.96 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 37 R 8.78 5.15 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 38 A 9.25 4.53 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 39 G 8.35 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 0.00 0.00 0.00 40 P 0.00 4.49 0.00 2.18 2.17 0.00 3.86 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 1.99 1.99 0.00 41 R 7.90 4.83 0.00 1.93 1.26 0.00 3.19 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 42 S 8.57 5.24 0.00 3.83 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 43 F 9.47 5.16 0.00 2.98 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 44 L 9.01 5.42 0.00 1.75 1.54 0.96 0.56 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 45 E 9.81 5.73 0.00 2.02 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 2.22 2.11 0.00 46 F 8.11 5.56 0.00 3.31 3.14 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 47 H 9.53 5.30 0.00 3.00 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.83 5.03 0.00 1.78 1.50 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.65 4.52 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 0.98 0.00 0.00 0.95 0.00 0.00 50 V 8.70 4.82 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 0.78 0.00 0.00 0.92 0.00 0.00 51 R 8.51 4.04 0.00 1.87 2.07 0.00 3.15 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 52 G 8.91 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 53 D 7.94 4.56 0.00 2.80 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 54 T 7.92 3.92 4.28 0.00 0.00 0.00 0.00 0.00 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 55 P 0.00 4.42 0.00 2.16 1.96 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 56 V 8.39 3.58 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 1.05 0.00 0.00 0.92 0.00 0.00 57 E 8.22 3.98 0.00 2.07 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 2.39 2.38 0.00 58 E 8.00 3.90 0.00 2.08 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 0.00 2.38 2.38 0.00 59 A 8.04 3.99 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 60 H 8.76 4.15 0.00 3.26 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.81 3.89 0.00 2.04 1.98 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 1.67 1.67 0.00 62 L 7.70 4.01 0.00 1.74 1.87 0.94 0.97 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 63 C 7.94 4.10 0.00 3.10 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 64 D 8.16 4.30 0.00 2.78 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 65 E 8.16 3.98 0.00 2.22 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 2.35 2.57 0.00 66 L 8.26 4.12 0.00 1.96 1.94 1.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.49 4.06 0.00 2.17 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 2.51 2.55 0.00 68 R 8.12 3.93 0.00 2.06 2.01 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 A 8.30 4.15 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.54 3.99 0.00 2.00 1.80 1.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.81 4.27 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 72 Q 7.95 4.04 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 73 A 7.80 4.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.52 0.00 3.03 2.82 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 0.00 0.00 0.00 75 P 0.00 4.35 0.00 2.01 1.98 0.00 3.57 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 1.97 2.03 0.00 76 G 9.05 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.10 4.74 0.00 1.77 1.72 0.82 0.36 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 78 Q 9.05 4.83 0.00 1.74 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 79 A 8.73 5.44 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 80 T 8.96 4.54 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 1.20 0.00 0.00 81 I 8.24 4.26 1.66 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 0.20 0.32 0.51 0.00 0.00 82 H 8.78 4.71 0.00 3.13 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.14 4.46 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 0.80 0.00 0.00 0.88 0.00 0.00 84 E 9.02 4.86 0.00 1.86 1.74 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 2.04 1.97 0.00 85 P 0.00 5.16 0.00 2.21 2.18 0.00 3.86 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 2.05 1.91 0.00 86 E 8.74 4.03 0.00 1.91 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 2.32 1.89 0.00 87 G 8.04 3.80 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 0.00 0.00 0.00 88 E 8.12 4.37 0.00 2.17 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 0.00 2.33 2.41 0.00 89 R 7.62 4.32 0.00 1.98 1.98 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.62 0.00 90 K 9.09 3.85 0.00 1.86 1.80 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.47 7.81 91 R 8.45 4.18 0.00 1.94 1.92 0.00 3.27 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 1.49 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.