NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3551 8.3193 115.2899 58.2919 64.5039 174.5620 1 T 4.2625 7.9099 110.8595 60.1643 71.2375 174.9716 2 K 4.1975 8.5353 127.0740 59.1881 32.0808 179.3742 3 L 4.1866 7.8806 121.1875 58.2576 42.0375 178.8350 4 E 4.0217 8.1104 118.2369 59.4088 28.8058 179.2587 5 E 3.9538 8.2593 118.6475 59.7425 29.5249 179.0523 6 H 4.3239 8.0792 116.2007 58.8634 28.8782 177.9306 7 L 4.0532 8.0495 120.7703 57.8138 41.4298 179.1025 8 E 4.0753 8.5414 119.6010 59.2586 29.5751 178.9845 9 G 3.7342 8.7016 106.1488 47.9505 0.0000 175.6823 10 I 3.9298 7.9792 122.1179 64.1731 37.1678 178.6530 11 V 3.6711 7.8453 118.6351 66.1026 31.3502 177.6755 12 N 4.4141 8.5499 116.5265 56.6893 38.4239 177.5167 13 I 3.8849 8.0589 121.0525 64.0998 37.1277 178.0753 14 F 3.9634 8.5484 121.7889 61.8730 39.2655 177.0564 15 H 4.5172 8.8171 117.2008 58.2056 28.2784 177.7502 16 Q 3.9575 8.0337 118.6161 58.7566 28.2490 177.3785 17 Y 4.2999 7.3743 117.8589 59.5992 38.5915 177.9749 18 S 4.0744 7.9656 115.4232 61.1946 62.8919 176.5536 19 V 3.9960 7.4942 113.9056 63.0513 31.3080 177.7371 20 R 4.1067 7.4950 117.8743 58.6209 30.1397 177.1096 21 K 4.6671 8.6991 114.6920 55.4457 37.0837 178.2958 22 G 3.6500 8.6369 109.6790 46.6145 0.0000 173.6003 23 H 4.2641 8.6668 122.4909 56.0088 30.3399 176.3455 24 F 4.4777 8.7692 121.0313 58.8255 38.1569 175.4007 25 D 4.7816 7.5965 118.8675 53.6923 41.3808 174.7369 26 T 5.0264 7.3721 105.7829 60.1396 72.4521 173.0421 27 L 4.9301 8.6481 123.2253 52.9992 43.5373 176.8983 28 S 4.7377 9.4389 122.1009 58.5396 64.1755 176.3523 29 K 3.7098 8.5384 124.5646 59.5048 31.2722 178.6941 30 G 3.7546 7.8680 105.8307 48.0059 0.0000 175.5983 31 E 4.1013 8.2373 121.2964 58.8795 29.4054 179.1988 32 L 3.9824 8.3003 120.8231 57.7285 42.1627 178.8300 33 K 3.8590 8.2348 119.8100 59.6794 32.1972 178.6859 34 Q 3.9528 7.8191 117.7204 58.7921 28.5741 178.6110 35 L 2.6344 7.3180 121.0121 57.8208 41.9802 179.0263 36 L 3.9515 8.0736 119.4284 58.0049 41.3331 179.6206 37 T 4.0094 7.7816 108.6027 63.9840 69.0180 176.6069 38 K 4.1304 7.8702 121.5464 59.1320 32.6250 178.1691 39 E 4.4173 8.2343 116.6610 57.2560 29.9225 177.1816 40 L 4.7427 7.4976 117.7624 54.1994 42.5710 178.2902 41 A 4.0681 8.2251 123.7994 54.5650 18.3202 178.8962 42 N 4.9197 8.1084 110.4276 53.4157 39.5397 175.0356 43 T 4.3759 8.0753 115.7012 63.9462 70.1511 175.0465 44 I 4.4571 7.4789 122.9413 59.2561 39.6949 176.0982 *45 K 3.8654 8.8529 128.9692 56.7342 32.4572 175.0348 *46 N 4.2195 8.7307 121.3093 52.5885 34.6486 171.8460 47 I 4.2343 7.7344 118.9179 62.4368 38.6941 176.4506 *48 K 4.2972 7.8909 122.0743 56.7651 32.0919 182.9672 *49 D 4.6826 7.7227 121.6331 56.2283 41.6030 183.4584 50 K 4.1810 8.6415 128.3427 59.4446 31.7545 178.0916 51 A 4.2158 8.0670 121.8577 55.1511 17.9773 179.8075 52 V 3.5825 7.6896 116.1634 65.9302 31.6798 178.3091 53 I 3.7595 7.4592 118.5717 64.5409 37.1438 177.8968 54 D 4.4956 8.1088 121.8988 58.1535 40.7307 179.6344 *55 E 3.9944 7.9725 118.6414 61.3343 29.9223 181.3148 56 I 3.9549 7.5371 121.2520 63.8281 37.1253 178.2417 57 F 4.0566 8.2811 121.5974 61.6639 39.0555 177.2829 58 Q 4.1333 8.0150 115.7496 58.9323 28.5528 178.8434 59 G 3.6891 7.7707 105.4821 47.3642 0.0000 175.6428 60 L 4.2342 7.4359 120.2421 56.6906 42.9343 177.9333 61 D 4.3774 7.5908 119.8740 53.4790 39.3066 176.0053 62 A 4.1471 8.3567 127.3980 53.5542 19.1388 178.4730 63 N 4.5340 8.1747 113.0802 53.0755 38.1775 175.2428 *64 Q 3.5954 7.5347 115.2542 56.7586 25.6220 178.9386 65 D 4.7919 8.1009 115.3876 53.5192 39.8465 176.7298 66 E 4.1901 8.4604 117.1033 57.1015 27.4783 173.8503 67 Q 4.9372 7.9758 116.7219 54.1528 32.9107 175.4505 68 V 4.4744 8.7552 122.8950 61.2923 33.0286 175.1441 69 D 5.0460 8.9949 128.9687 52.4823 41.2284 177.3047 70 F 3.3634 8.9059 119.4766 61.2953 38.9092 176.8136 71 Q 3.9489 8.0951 116.4790 58.9423 28.9593 178.0792 72 E 4.0325 8.7636 119.9312 59.2540 29.4887 179.0985 73 F 4.1425 8.2946 120.7999 61.1901 39.3301 177.1582 74 I 3.3164 7.2467 119.2231 64.2404 36.7851 178.4374 75 S 4.0285 7.7866 115.8418 61.2908 62.5662 176.4668 76 L 3.8334 7.3280 122.7553 57.8195 41.7942 178.8965 77 V 3.3321 7.0567 118.0765 65.6532 31.3778 177.9283 78 A 3.8734 7.7745 120.4367 55.1618 18.2500 179.3559 79 I 3.5577 7.6430 118.1425 64.8311 37.1393 178.5270 80 A 4.0318 7.9216 121.1540 54.8801 18.1149 179.7074 81 L 3.9322 8.1927 118.0023 57.9217 41.6001 179.8818 82 K 4.0249 8.1733 118.2798 59.2611 31.9616 179.3395 83 A 4.0247 8.0661 120.9439 55.2277 18.4791 179.6316 84 A 4.0272 8.4045 119.6756 55.2354 17.9959 179.3731 85 H 4.0979 8.6490 117.2883 59.6812 30.1396 176.5702 86 Y 4.1537 8.3271 121.6520 61.3831 38.3136 177.9373 87 H 4.0990 8.3080 117.7908 59.1808 29.9865 177.0382 88 T 3.8711 7.5887 110.8447 64.5966 68.6987 175.7424 89 H 4.5799 7.6544 119.2675 56.9328 29.0958 176.0621 90 K 4.0074 7.2888 126.4437 54.3514 32.2175 181.0045 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 0 S 8.32 4.36 0.00 3.85 3.96 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 0.00 0.00 0.00 1 T 7.91 4.26 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 1.28 0.00 0.00 2 K 8.54 4.20 0.00 1.78 1.86 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 0.93 7.81 3 L 7.88 4.19 0.00 1.72 1.71 0.94 1.03 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 4 E 8.11 4.02 0.00 2.31 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 2.34 2.36 0.00 5 E 8.26 3.95 0.00 2.11 1.95 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 2.32 2.47 0.00 6 H 8.08 4.32 0.00 3.40 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.05 4.05 0.00 1.89 1.77 0.95 0.90 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 8 E 8.54 4.08 0.00 2.04 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 0.00 2.33 2.35 0.00 9 G 8.70 3.73 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 0.00 0.00 0.00 10 I 7.98 3.93 2.21 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.22 0.00 0.00 11 V 7.85 3.67 2.22 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 0.77 0.00 0.00 0.86 0.00 0.00 12 N 8.55 4.41 0.00 3.01 2.92 0.00 0.00 7.09 7.23 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 13 I 8.06 3.88 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 1.17 0.00 0.00 14 F 8.55 3.96 0.00 2.63 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 15 H 8.82 4.52 0.00 3.48 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.03 3.96 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.44 1.69 0.00 17 Y 7.37 4.30 0.00 3.06 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 18 S 7.97 4.07 0.00 3.85 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 19 V 7.49 4.00 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 0.86 0.00 0.00 0.92 0.00 0.00 20 R 7.50 4.11 0.00 2.05 1.99 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 21 K 8.70 4.67 0.00 1.75 1.66 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.38 7.81 22 G 8.64 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.67 4.26 0.00 3.19 3.15 0.00 5.67 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 24 F 8.77 4.48 0.00 3.16 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 25 D 7.60 4.78 0.00 1.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.37 5.03 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 1.14 0.00 0.00 27 L 8.65 4.93 0.00 1.68 1.67 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.44 4.74 0.00 3.88 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 29 K 8.54 3.71 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.08 7.81 30 G 7.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.24 4.10 0.00 2.20 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 2.43 2.34 0.00 32 L 8.30 3.98 0.00 2.00 1.96 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.23 3.86 0.00 1.90 1.94 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 34 Q 7.82 3.95 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 35 L 7.32 2.63 0.00 1.04 1.55 0.96 0.63 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 36 L 8.07 3.95 0.00 1.83 1.69 0.95 0.55 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 37 T 7.78 4.01 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 1.30 0.00 0.00 38 K 7.87 4.13 0.00 1.90 1.95 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.58 7.81 39 E 8.23 4.42 0.00 2.08 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 0.00 2.46 2.66 0.00 40 L 7.50 4.74 0.00 1.82 1.59 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.23 4.07 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 42 N 8.11 4.92 0.00 2.68 2.80 0.00 0.00 6.81 7.54 0.00 0.00 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 T 8.08 4.38 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 1.21 0.00 0.00 44 I 7.48 4.46 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.89 0.00 0.00 *45 K 8.85 3.87 0.00 1.77 1.62 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *46 N 8.73 4.22 0.00 2.76 2.82 0.00 0.00 6.54 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 47 I 7.73 4.23 2.03 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 1.27 1.23 0.91 0.00 0.00 *48 K 7.89 4.30 0.00 1.81 1.69 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 0.99 7.81 *49 D 7.72 4.68 0.00 2.73 2.58 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 50 K 8.64 4.18 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 51 A 8.07 4.22 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 52 V 7.69 3.58 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 1.09 0.00 0.00 0.99 0.00 0.00 53 I 7.46 3.76 1.99 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 1.52 0.39 0.90 0.00 0.00 54 D 8.11 4.50 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.97 3.99 0.00 1.93 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 2.24 2.22 0.00 56 I 7.54 3.95 2.04 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 1.48 1.21 0.92 0.00 0.00 57 F 8.28 4.06 0.00 3.09 3.24 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 58 Q 8.01 4.13 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 59 G 7.77 3.69 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 0.00 0.00 0.00 60 L 7.44 4.23 0.00 1.63 1.63 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.59 4.38 0.00 2.11 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 0.00 0.00 0.00 62 A 8.36 4.15 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 63 N 8.17 4.53 0.00 2.81 2.92 0.00 0.00 5.94 7.39 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 *64 Q 7.53 3.60 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 65 D 8.10 4.79 0.00 2.79 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 66 E 8.46 4.19 0.00 2.22 2.28 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 2.29 2.47 0.00 67 Q 7.98 4.94 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 68 V 8.76 4.47 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 1.20 0.00 0.00 0.69 0.00 0.00 69 D 8.99 5.05 0.00 2.92 2.83 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 70 F 8.91 3.36 0.00 2.68 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 71 Q 8.10 3.95 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 72 E 8.76 4.03 0.00 2.14 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 2.34 2.36 0.00 73 F 8.29 4.14 0.00 3.19 2.64 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 74 I 7.25 3.32 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.27 0.78 0.00 0.00 75 S 7.79 4.03 0.00 3.95 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 76 L 7.33 3.83 0.00 1.58 1.35 0.86 0.91 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 77 V 7.06 3.33 1.95 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 0.95 0.00 0.00 0.35 0.00 0.00 78 A 7.77 3.87 1.31 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 0.00 0.00 79 I 7.64 3.56 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.86 0.00 0.00 80 A 7.92 4.03 1.32 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 0.00 0.00 0.00 81 L 8.19 3.93 0.00 1.82 1.71 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.17 4.02 0.00 1.97 1.87 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 83 A 8.07 4.02 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 84 A 8.40 4.03 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 85 H 8.65 4.10 0.00 3.32 3.53 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.33 4.15 0.00 3.06 3.15 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 87 H 8.31 4.10 0.00 3.23 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.59 3.87 4.11 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 1.26 0.00 0.00 89 H 7.65 4.58 0.00 3.01 3.26 0.00 5.60 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 90 K 7.29 4.01 0.00 1.77 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.