NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6406 8.3644 120.4575 53.7853 43.5605 174.4292 4 T 4.3986 8.3229 113.9236 60.4168 70.2368 170.9882 5 K 4.7309 8.5506 129.2382 55.3003 34.5593 175.1746 6 I 5.2989 8.3235 118.2867 58.1499 40.4365 174.0760 7 I 4.7209 8.2074 128.2556 59.3600 39.6216 173.7682 8 Y 5.0642 8.1933 127.1201 55.5391 41.3245 174.4226 9 H 5.0103 8.7165 117.7576 55.3639 31.7284 174.6986 10 M 4.3459 8.6766 116.5818 57.1613 38.6782 173.7063 11 D 4.4536 8.0622 124.4778 54.4567 39.1634 172.9606 *14 E 4.4043 8.3821 126.9416 55.2165 31.4513 175.9984 15 T 4.6527 7.5092 106.9611 58.3989 71.4659 171.7323 16 P 4.2680 0.0000 0.0000 63.1554 32.3945 174.9506 17 D 4.6269 8.1711 121.4952 52.3561 43.1329 174.9421 18 L 4.6762 8.2572 126.0191 53.9039 43.5015 175.7452 19 V 4.5940 8.6285 125.8008 61.0302 34.6595 174.1267 20 K 4.9819 8.8132 126.8953 55.6125 34.6595 175.7117 21 L 4.8435 8.7223 121.4974 52.3744 45.5835 175.2920 22 P 4.1230 0.0000 0.0000 66.2106 31.3363 176.3244 23 V 3.1665 7.2409 116.7197 60.6129 31.8235 175.7990 24 A 4.2553 8.4700 130.5951 51.3053 18.8926 174.6113 25 P 4.3778 0.0000 0.0000 66.1978 31.5571 177.8223 26 E 4.2129 7.9278 117.4294 57.4618 30.6289 176.9221 27 R 3.6412 8.4731 120.7804 58.0308 29.0256 176.8157 28 V 5.2488 7.5570 107.2111 58.5780 34.1596 175.2751 29 T 5.6757 8.0449 111.4280 59.1823 71.5567 174.4452 30 L 4.1906 8.6108 124.2852 56.9502 42.5470 177.2585 31 A 4.3881 7.9346 120.2173 54.4034 20.5105 178.6357 32 D 4.4965 8.0209 115.7772 56.8585 41.2842 177.7322 33 F 4.9453 8.0144 117.0465 57.7263 41.0693 175.9253 34 K 3.6121 8.5604 122.2991 59.8707 32.1322 178.4583 35 N 4.2761 8.1015 114.3638 55.6882 36.9505 176.0312 36 V 3.7201 7.6471 116.9522 64.5723 32.3725 175.8678 37 L 4.6489 7.7465 121.7663 54.4647 41.1039 177.3409 38 S 4.6499 7.8828 110.8279 58.9480 63.0364 175.3292 39 N 4.7392 8.0066 118.9730 53.0278 38.2272 174.6803 40 R 4.7014 7.4549 113.9860 53.1493 32.8943 173.3333 41 P 4.3608 0.0000 0.0000 62.8839 29.8024 177.3440 42 V 3.8411 8.1920 123.3233 65.1856 31.7625 176.4774 43 H 4.9771 8.0414 113.2120 55.5902 29.5807 173.7807 44 A 4.4671 7.6526 121.6748 52.3550 18.2366 176.3808 45 Y 5.4645 7.7220 114.7181 57.5949 41.8145 175.0161 46 K 4.7703 10.7391 121.7687 54.9030 35.2441 175.6893 47 F 5.0716 8.7635 121.8752 56.0044 41.5795 174.5980 48 F 5.4381 8.7004 122.7388 56.6966 41.5105 175.3101 49 F 5.4004 8.9727 118.4920 55.8081 43.5983 174.1663 50 K 4.6429 9.4377 126.4412 57.2166 32.5719 175.8763 51 S 4.2700 9.0446 120.7997 57.5507 67.2689 172.6049 52 M 4.6524 8.2335 120.3065 53.8796 32.9796 174.6707 53 D 4.6216 9.2131 127.6739 53.7984 42.0096 176.9447 54 Q 4.3384 8.7908 124.4342 57.3454 29.1189 176.1551 55 D 4.7065 8.3101 116.7435 54.5181 43.0199 176.7886 56 F 4.6657 8.6334 114.5323 56.4534 40.9640 177.1095 57 G 3.8871 8.1729 110.4846 46.5142 0.0000 174.7473 58 V 4.3057 8.3541 125.0748 62.5407 32.1978 175.3241 59 V 4.4829 8.7498 119.9648 59.9452 36.9914 174.3462 60 K 4.6843 8.3832 121.1398 55.1664 32.8237 176.5915 61 E 4.4374 9.2080 128.9695 54.4611 29.9911 174.8960 62 E 4.3668 9.0540 128.2486 56.6037 30.5440 176.0426 63 I 4.5231 8.6407 126.2899 59.4216 41.1860 174.6458 64 F 4.8426 8.4519 124.0325 55.7763 40.7769 174.7132 *66 D 4.6952 8.6028 124.4577 52.9900 40.6769 172.3618 67 N 5.1213 9.2029 113.8957 53.3862 40.3942 173.9321 68 A 4.1067 8.0168 121.4962 52.0560 19.5860 177.3373 69 K 5.2569 8.4768 120.7476 56.3687 33.4455 175.6412 70 L 4.4387 8.0240 122.6055 51.3542 43.5601 177.4118 71 P 4.5183 0.0000 0.0000 61.3685 30.3711 176.1492 72 C 3.7886 7.9974 116.8285 60.0403 31.9593 173.2589 73 F 4.8255 8.6966 127.1885 57.2666 39.9778 173.8223 74 N 3.8555 8.9269 128.0101 54.1176 34.7529 176.0377 75 G 4.0406 8.6497 105.9167 45.3591 0.0000 173.8319 76 R 4.8842 7.5967 117.6901 54.3185 35.0545 174.3531 77 V 4.6738 8.6175 122.1064 61.2843 33.9450 174.2986 78 V 4.6612 8.4333 127.9379 61.1814 33.7692 174.1916 79 S 4.7138 8.1531 120.9461 56.2809 66.4415 172.4945 80 W 5.1136 8.8388 123.5259 55.0460 32.9352 174.7975 81 L 4.8417 8.1376 120.7434 53.5039 44.6354 176.1561 82 V 4.7850 8.9742 124.0093 60.4361 35.7325 174.4708 83 L 4.6388 8.7819 126.4786 55.6957 40.8885 177.4664 84 A 4.3190 8.5894 127.0789 54.1509 18.7735 177.1727 85 E 4.7116 7.7858 109.5354 55.5125 32.6281 176.1187 86 G 3.7187 8.5688 109.4192 45.9419 0.0000 172.2116 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 D 8.36 4.64 0.00 2.82 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 4 T 8.32 4.40 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 1.32 0.00 0.00 5 K 8.55 4.73 0.00 1.74 1.69 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.42 7.81 6 I 8.32 5.30 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.28 0.91 0.00 0.00 7 I 8.21 4.72 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 0.80 0.00 0.00 8 Y 8.19 5.06 0.00 2.91 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 9 H 8.72 5.01 0.00 3.09 3.30 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.68 4.35 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.69 0.00 11 D 8.06 4.45 0.00 2.83 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 *14 E 8.38 4.40 0.00 2.00 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 2.19 2.31 0.00 15 T 7.51 4.65 4.18 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 1.19 0.00 0.00 16 P 0.00 4.27 0.00 1.77 1.64 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 17 D 8.17 4.63 0.00 1.58 2.20 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 18 L 8.26 4.68 0.00 1.54 1.48 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.63 4.59 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 1.06 0.00 0.00 1.12 0.00 0.00 20 K 8.81 4.98 0.00 1.81 1.79 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.46 7.81 21 L 8.72 4.84 0.00 1.60 1.58 1.04 0.96 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 22 P 0.00 4.12 0.00 2.18 2.18 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 23 V 7.24 3.17 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 0.84 0.00 0.00 0.96 0.00 0.00 24 A 8.47 4.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.05 2.17 0.00 3.68 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 2.04 2.15 0.00 26 E 7.93 4.21 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 27 R 8.47 3.64 0.00 1.86 1.92 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 28 V 7.56 5.25 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 0.56 0.00 0.00 1.04 0.00 0.00 29 T 8.04 5.68 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 30 L 8.61 4.19 0.00 1.53 1.68 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.93 4.39 1.28 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 0.00 0.00 0.00 32 D 8.02 4.50 0.00 2.88 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 33 F 8.01 4.95 0.00 2.98 3.06 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 34 K 8.56 3.61 0.00 1.85 1.73 0.00 1.40 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.29 1.24 7.81 35 N 8.10 4.28 0.00 2.84 2.94 0.00 0.00 5.96 7.68 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 36 V 7.65 3.72 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 0.90 0.00 0.00 1.03 0.00 0.00 37 L 7.75 4.65 0.00 1.61 1.52 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.88 4.65 0.00 3.85 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 39 N 8.01 4.74 0.00 2.84 2.95 0.00 0.00 5.94 7.66 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 40 R 7.45 4.70 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 41 P 0.00 4.36 0.00 1.97 1.97 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 42 V 8.19 3.84 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 0.61 0.00 0.00 0.97 0.00 0.00 43 H 8.04 4.98 0.00 3.16 3.31 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.65 4.47 1.04 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 0.00 0.00 45 Y 7.72 5.46 0.00 2.82 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 0.00 0.00 0.00 0.00 46 K 10.74 4.77 0.00 1.87 1.42 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.48 7.81 47 F 8.76 5.07 0.00 3.29 3.31 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 48 F 8.70 5.44 0.00 3.28 3.04 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 49 F 8.97 5.40 0.00 2.98 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 50 K 9.44 4.64 0.00 2.05 1.86 0.00 2.03 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.57 7.81 51 S 9.04 4.27 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.23 4.65 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 53 D 9.21 4.62 0.00 2.70 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 54 Q 8.79 4.34 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 55 D 8.31 4.71 0.00 2.92 2.38 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 56 F 8.63 4.67 0.00 3.05 3.06 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 57 G 8.17 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 0.00 0.00 0.00 58 V 8.35 4.31 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 0.74 0.00 0.00 0.99 0.00 0.00 59 V 8.75 4.48 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 0.65 0.00 0.00 0.96 0.00 0.00 60 K 8.38 4.68 0.00 1.27 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.98 7.81 61 E 9.21 4.44 0.00 2.08 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 2.29 2.26 0.00 62 E 9.05 4.37 0.00 1.37 1.86 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 2.00 2.07 0.00 63 I 8.64 4.52 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.87 0.79 0.00 0.00 64 F 8.45 4.84 0.00 2.96 3.06 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 *66 D 8.60 4.70 0.00 2.75 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 0.00 0.00 0.00 67 N 9.20 5.12 0.00 2.55 2.81 0.00 0.00 6.72 7.35 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 68 A 8.02 4.11 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 69 K 8.48 5.26 0.00 1.76 1.70 0.00 1.57 0.00 0.00 2.36 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.30 7.81 70 L 8.02 4.44 0.00 1.49 1.44 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.52 0.00 2.27 2.10 0.00 3.49 0.00 0.00 3.16 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 72 C 8.00 3.79 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 4.83 0.00 3.20 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 74 N 8.93 3.86 0.00 2.61 2.71 0.00 0.00 7.27 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 75 G 8.65 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 0.00 0.00 0.00 76 R 7.60 4.88 0.00 1.71 1.77 0.00 3.06 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 77 V 8.62 4.67 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 1.02 0.00 0.00 0.98 0.00 0.00 78 V 8.43 4.66 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 0.42 0.00 0.00 0.95 0.00 0.00 79 S 8.15 4.71 0.00 2.80 3.13 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 0.00 0.00 0.00 0.00 80 W 8.84 5.11 0.00 3.45 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 81 L 8.14 4.84 0.00 1.20 0.67 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.97 4.79 2.26 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 1.11 0.00 0.00 1.23 0.00 0.00 83 L 8.78 4.64 0.00 1.66 1.67 0.93 0.81 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 84 A 8.59 4.32 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 85 E 7.79 4.71 0.00 2.06 1.89 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 2.15 2.18 0.00 86 G 8.57 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.