NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3533 8.2393 119.7130 55.1308 31.7774 174.9505 4 P 4.3145 0.0000 0.0000 62.3189 32.7564 173.7137 5 G 4.2480 8.8968 110.4231 45.5489 0.0000 174.8016 6 A 4.2401 8.6838 126.9248 51.9722 19.5296 177.1471 7 I 4.2647 8.6153 122.1453 58.8033 39.1584 173.3377 8 P 3.9510 0.0000 0.0000 62.1034 32.4660 175.8096 9 T 4.3190 8.3663 119.3071 61.4525 71.7977 173.3322 10 V 3.9193 8.2999 127.3857 63.1634 31.3917 175.4199 11 Q 4.3261 9.1473 128.4708 57.9069 29.8649 176.8981 12 I 4.5896 7.4847 118.3432 59.7679 41.6671 174.6058 13 D 5.0031 8.7839 125.4388 52.3486 41.8024 173.4894 14 N 5.2605 8.6162 122.8871 50.7521 40.0713 174.4987 15 E 4.1152 8.9521 115.8690 59.2309 29.9080 177.9230 16 R 4.5351 8.7037 117.1152 56.7005 32.3845 176.0164 17 V 5.0261 7.6785 108.7501 59.5313 36.7445 174.0254 18 K 4.9675 8.8594 124.0590 54.7359 34.8127 174.7495 19 V 4.8804 9.0434 127.9888 61.4964 33.9364 174.3105 20 T 4.9795 9.1180 124.5232 61.5836 72.2392 172.7003 21 E 4.5567 8.9562 128.1795 55.6245 31.2958 175.0729 22 W 4.6682 9.1123 127.6370 54.9685 31.4700 174.8319 23 R 4.8340 8.6178 126.6391 54.7291 31.6561 174.6769 24 F 5.1104 9.6873 126.5895 55.2765 40.7638 174.2944 25 P 4.8386 0.0000 0.0000 61.3546 32.8863 174.2361 26 P 4.4277 0.0000 0.0000 63.7784 31.4846 177.0711 27 G 3.9066 8.7543 110.1022 45.7963 0.0000 173.7519 28 G 4.2381 8.2645 108.0699 45.8444 0.0000 172.7988 29 E 5.5352 8.9392 117.3512 54.9224 32.8404 176.4301 30 T 3.7338 8.6672 111.9100 62.6368 69.5505 176.4139 31 G 4.1753 8.3258 105.2611 44.6934 0.0000 172.9071 32 W 4.4102 8.5829 119.5760 57.0895 29.8526 175.2775 33 H 4.9804 9.0466 118.3564 54.6841 32.1805 171.8889 34 R 5.0991 8.3668 118.8982 54.6800 32.4192 174.5745 35 H 4.3814 9.3951 124.9662 55.3606 29.7223 175.5108 36 S 4.7053 8.5713 118.6679 58.9745 63.8119 173.6466 *38 D 4.9243 8.0815 119.3352 55.4207 42.4377 174.0057 39 Y 5.3875 8.5930 118.4054 55.8013 42.2277 173.5878 40 V 4.5787 9.0762 120.8465 61.0903 34.7841 174.2037 41 V 4.5672 8.3177 127.8599 61.0929 33.6277 174.3596 42 V 4.3883 8.8566 128.9147 60.7285 33.0268 173.6611 43 P 4.6285 0.0000 0.0000 62.5383 33.1780 175.3032 *45 T 4.1707 8.2297 115.3938 64.2469 69.4584 174.0192 46 T 4.5903 8.9193 121.4406 60.8491 70.0018 175.0891 47 G 4.2303 8.0805 114.8335 44.5553 0.0000 168.9972 48 P 4.9807 0.0000 0.0000 62.2283 32.4511 175.7369 49 L 4.5748 8.6173 121.8771 52.8113 45.6622 175.4661 50 L 4.8347 8.6437 122.7337 53.6237 43.3601 175.5365 51 L 4.7829 8.7485 125.4791 53.1208 43.8862 175.4090 52 E 5.0153 8.7289 124.7615 54.9361 31.7550 175.4797 53 T 5.2696 8.5434 113.3524 59.0687 72.4995 172.9901 54 P 4.3228 0.0000 0.0000 65.7742 31.3774 177.7237 55 E 4.1817 8.1044 115.0564 56.3474 30.1654 176.7637 56 G 4.0507 6.6510 105.6559 45.0607 0.0000 170.5540 57 S 5.2334 8.0233 113.8004 56.6060 65.2097 174.0719 58 V 4.4621 8.4503 114.9083 59.9396 35.2207 175.1068 59 T 4.6500 8.3832 120.5903 62.4448 69.1832 174.0033 60 S 4.4310 8.8729 123.3385 57.0140 64.0658 172.6762 61 Q 4.5288 8.5689 128.8856 55.4747 29.5165 174.6117 62 L 4.8295 8.9821 127.2391 53.6165 44.6554 175.6448 63 T 4.8259 8.2873 118.0912 61.3257 71.5099 173.6141 64 R 4.0244 9.0343 127.0661 58.3217 30.2831 176.6315 65 G 3.8116 9.1396 113.2182 45.5991 0.0000 173.2922 66 V 4.1688 7.6961 120.0861 60.7428 31.5104 175.4351 67 S 5.2718 8.6103 122.0787 58.1388 64.2833 172.6359 68 Y 4.9511 7.7849 117.4980 56.2158 41.4574 173.1389 69 T 4.8866 8.4840 113.6408 60.4447 70.7274 172.8707 70 R 4.7152 8.0169 124.3987 53.7819 34.9210 172.8211 71 P 5.1098 0.0000 0.0000 61.1941 33.8279 174.6844 72 E 4.0361 9.1569 121.8158 58.4228 29.8263 177.1864 73 G 4.0684 9.3267 113.7345 45.0819 0.0000 174.2351 74 V 3.6552 7.5661 120.5397 63.6735 32.5026 174.5721 75 E 5.2188 8.4490 127.9609 55.2383 32.2722 173.7921 76 H 4.0821 8.6214 121.2047 55.1491 32.5843 171.9282 77 N 4.8413 6.8246 116.6270 51.3571 41.8139 173.0232 78 V 4.6359 8.1866 124.6781 61.0938 34.4189 174.1983 79 I 5.0618 8.6015 128.2987 59.5092 41.1169 174.3853 80 N 4.7979 9.3588 125.8105 51.7573 39.2565 173.2167 81 P 4.6616 0.0000 0.0000 63.5992 32.2901 176.3469 82 S 4.6971 8.2099 117.4831 57.7900 64.7860 174.6426 83 D 4.7591 8.7646 119.9194 55.2543 40.9659 176.1932 84 T 4.7974 7.3711 108.7678 59.1585 71.8920 173.4535 85 E 4.5173 8.7722 122.9796 56.4753 30.7691 175.5682 86 F 4.8244 9.3807 126.9465 56.3750 42.8806 173.5656 87 V 5.2388 8.0795 125.3866 61.1461 34.1563 174.4039 88 F 5.3815 8.9865 121.1777 55.3266 42.2869 173.2497 89 V 4.9461 9.1884 120.0426 61.2731 33.8381 173.7411 90 E 5.3116 9.6131 129.3818 54.6373 32.1913 174.3824 91 I 4.9730 9.1822 128.4077 59.7857 39.7303 174.3068 92 E 4.9771 9.2358 128.1300 55.3584 31.2852 175.7246 93 I 4.5754 8.4978 125.8902 59.7866 38.0332 176.1292 94 K 4.3446 8.8179 127.2724 55.6397 32.7356 177.3345 95 A 3.8754 8.6330 125.2754 52.6912 18.9500 177.7256 *96 A 4.1172 8.4118 122.1583 52.4921 18.9489 176.8191 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 R 8.24 4.35 0.00 2.03 2.06 0.00 3.39 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 4 P 0.00 4.31 0.00 2.22 2.20 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 5 G 8.90 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 0.00 0.00 0.00 6 A 8.68 4.24 0.55 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 0.00 0.00 7 I 8.62 4.26 1.75 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 1.21 0.76 0.77 0.00 0.00 8 P 0.00 3.95 0.00 1.17 0.49 0.00 3.42 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 1.56 1.49 0.00 9 T 8.37 4.32 4.07 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 0.00 0.00 0.00 1.11 0.00 0.00 10 V 8.30 3.92 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 0.73 0.00 0.00 0.82 0.00 0.00 11 Q 9.15 4.33 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.37 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 12 I 7.48 4.59 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 1.23 0.82 0.92 0.00 0.00 13 D 8.78 5.00 0.00 2.53 2.51 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 14 N 8.62 5.26 0.00 2.81 2.79 0.00 0.00 6.93 7.28 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 15 E 8.95 4.12 0.00 1.99 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 0.00 2.32 2.34 0.00 16 R 8.70 4.54 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 17 V 7.68 5.03 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 0.76 0.00 0.00 0.99 0.00 0.00 18 K 8.86 4.97 0.00 1.84 1.68 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 19 V 9.04 4.88 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 0.99 0.00 0.00 0.96 0.00 0.00 20 T 9.12 4.98 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 21 E 8.96 4.56 0.00 1.99 1.68 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 2.22 2.27 0.00 22 W 9.11 4.67 0.00 2.34 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.83 0.00 1.83 1.83 0.00 3.04 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 24 F 9.69 5.11 0.00 3.19 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 4.84 0.00 2.13 2.02 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 26 P 0.00 4.43 0.00 2.08 2.16 0.00 3.88 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 27 G 8.75 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 0.00 0.00 0.00 28 G 8.26 4.24 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 0.00 29 E 8.94 5.54 0.00 2.26 2.05 0.00 0.00 0.00 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 2.29 0.00 30 T 8.67 3.73 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 0.77 0.00 0.00 31 G 8.33 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 0.00 0.00 0.00 0.00 32 W 8.58 4.41 0.00 3.21 3.25 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 33 H 9.05 4.98 0.00 3.12 3.34 0.00 5.20 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.37 5.10 0.00 2.04 1.86 0.00 3.28 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 35 H 9.40 4.38 0.00 3.25 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.57 4.71 0.00 3.90 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 *38 D 8.08 4.92 0.00 2.70 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 39 Y 8.59 5.39 0.00 3.11 2.98 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 40 V 9.08 4.58 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 0.82 0.00 0.00 0.90 0.00 0.00 41 V 8.32 4.57 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 0.30 0.00 0.00 0.67 0.00 0.00 42 V 8.86 4.39 2.14 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 1.02 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.63 0.00 2.32 2.22 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 *45 T 8.23 4.17 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 0.99 0.00 0.00 46 T 8.92 4.59 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 1.30 0.00 0.00 47 G 8.08 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 48 P 0.00 4.98 0.00 1.99 2.00 0.00 3.75 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 1.91 1.97 0.00 49 L 8.62 4.57 0.00 1.26 1.22 0.66 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.64 4.83 0.00 1.61 1.51 0.89 0.51 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 51 L 8.75 4.78 0.00 1.49 1.51 0.85 0.67 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 52 E 8.73 5.02 0.00 1.45 1.93 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 2.23 2.11 0.00 53 T 8.54 5.27 4.41 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 1.23 0.00 0.00 54 P 0.00 4.32 0.00 2.11 2.21 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 55 E 8.10 4.18 0.00 2.02 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 2.31 0.00 56 G 6.65 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 5.23 0.00 3.84 3.85 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 58 V 8.45 4.46 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 0.74 0.00 0.00 0.87 0.00 0.00 59 T 8.38 4.65 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 1.15 0.00 0.00 60 S 8.87 4.43 0.00 3.74 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 61 Q 8.57 4.53 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 62 L 8.98 4.83 0.00 2.10 1.81 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.29 4.83 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 1.24 0.00 0.00 64 R 9.03 4.02 0.00 1.68 1.89 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 65 G 9.14 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 0.00 0.00 0.00 66 V 7.70 4.17 2.14 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 0.88 0.00 0.00 0.96 0.00 0.00 67 S 8.61 5.27 0.00 3.86 3.84 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 0.00 0.00 0.00 68 Y 7.78 4.95 0.00 2.94 2.97 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 69 T 8.48 4.89 4.16 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 1.17 0.00 0.00 70 R 8.02 4.72 0.00 0.68 1.54 0.00 3.26 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 71 P 0.00 5.11 0.00 2.12 2.15 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 72 E 9.16 4.04 0.00 2.06 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 2.39 2.35 0.00 73 G 9.33 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.57 3.66 2.23 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 0.70 0.00 0.00 1.02 0.00 0.00 75 E 8.45 5.22 0.00 2.17 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 2.41 2.59 0.00 76 H 8.62 4.08 0.00 3.07 3.18 0.00 5.28 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 6.82 4.84 0.00 1.44 1.87 0.00 0.00 7.05 7.61 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 78 V 8.19 4.64 2.16 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 0.85 0.00 0.00 0.64 0.00 0.00 79 I 8.60 5.06 1.80 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 1.12 0.53 0.96 0.00 0.00 80 N 9.36 4.80 0.00 2.55 2.80 0.00 0.00 6.87 7.63 0.00 0.00 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 P 0.00 4.66 0.00 2.08 2.09 0.00 3.75 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 1.90 1.89 0.00 82 S 8.21 4.70 0.00 4.03 3.86 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 83 D 8.76 4.76 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 4.80 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 1.24 0.00 0.00 85 E 8.77 4.52 0.00 2.06 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 2.38 2.55 0.00 86 F 9.38 4.82 0.00 3.11 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 87 V 8.08 5.24 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 0.94 0.00 0.00 0.95 0.00 0.00 88 F 8.99 5.38 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.19 4.95 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 0.90 0.00 0.00 1.00 0.00 0.00 90 E 9.61 5.31 0.00 2.68 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 2.39 2.55 0.00 91 I 9.18 4.97 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.96 0.00 0.00 92 E 9.24 4.98 0.00 2.08 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 2.38 2.39 0.00 93 I 8.50 4.58 1.92 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 1.40 0.82 0.94 0.00 0.00 94 K 8.82 4.34 0.00 1.78 1.76 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 95 A 8.63 3.88 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 *96 A 8.41 4.12 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 * Residues marked with a * may have inaccurate shift predictions.