NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9619 8.3549 109.7348 45.6509 0.0000 173.2228 2 K 4.4913 8.3227 126.1877 55.3590 32.7642 175.2037 3 L 4.8206 8.2427 123.7728 54.4578 44.3274 175.0800 4 P 4.1925 0.0000 0.0000 66.0357 32.9441 177.8506 5 E 4.4503 9.1288 117.9196 54.6009 29.5109 177.0990 6 S 3.2067 6.8375 104.0470 57.4897 61.1442 171.1627 7 P 4.6329 0.0000 0.0000 62.1445 31.2519 178.0569 8 K 4.4593 8.6157 122.3915 56.9771 33.1788 179.6118 9 R 3.8007 8.6660 114.8010 57.0945 29.3549 177.7370 10 A 4.8033 8.1018 123.9475 54.4884 19.0538 178.8456 11 E 4.1038 8.5700 117.9181 59.0940 30.0939 178.4669 12 E 4.1215 8.3319 119.6583 58.1621 29.6698 177.7688 13 I 3.7486 7.8994 118.1525 64.1570 38.2670 178.0585 14 W 3.4499 8.1984 128.4688 60.9070 30.5246 176.9968 15 Q 3.9232 8.1437 118.5943 59.9208 28.0783 178.4937 16 Q 3.8612 8.0405 120.4054 59.5177 29.0987 179.8831 17 S 4.0592 7.3748 115.0047 60.9911 63.1173 176.1788 18 V 3.9248 7.7003 114.3066 63.7043 32.1983 178.3199 19 I 3.8533 8.2694 118.8541 64.2836 37.6775 177.6559 20 G 3.4907 8.0650 106.0965 47.8198 0.0000 174.8621 21 D 4.4026 8.6336 120.4463 56.5001 41.0180 177.9650 22 Y 4.0815 7.8301 116.4001 60.8223 38.4362 177.3286 23 L 4.2264 9.0090 120.6733 57.2329 41.5871 179.3822 24 A 4.0284 7.9063 121.2680 54.9443 18.1142 179.4594 25 R 3.8447 7.4867 112.9942 58.9105 29.2211 177.1939 26 F 4.8101 8.0916 116.0685 56.4744 40.8755 174.0087 27 K 3.7435 8.6224 119.2096 57.7385 30.0350 174.4274 28 N 4.5725 8.7387 112.4410 54.2894 39.2479 173.8795 29 D 4.3438 8.7941 113.7911 55.1253 41.9846 178.8472 30 R 3.7134 7.2691 118.9529 59.2980 30.9022 177.3952 31 V 3.6219 7.8956 117.9073 66.4302 31.2892 177.9927 32 K 3.8993 9.3804 118.3000 58.9844 31.9874 179.2172 33 A 3.8579 7.8996 120.6701 55.1910 18.4190 179.0732 34 L 3.8441 8.6439 119.8441 58.2573 42.0472 179.5056 35 K 3.8730 7.6316 117.6072 59.5309 31.8059 179.0531 36 A 4.2714 8.5741 121.3771 55.3335 17.9741 179.2381 37 M 4.2298 7.8615 116.2510 58.4166 32.6346 177.7585 38 E 3.6753 8.3167 119.8052 59.8310 29.8672 178.0927 39 M 3.9538 8.6344 118.6620 59.0876 31.9305 178.7837 40 T 4.1977 7.5554 116.1591 66.4001 69.1234 175.8268 41 W 3.4038 7.7418 129.9984 59.7632 30.4669 177.9326 42 N 4.4862 8.4066 116.7414 55.9344 37.9020 177.0320 43 N 4.4730 8.5372 117.6403 55.3405 37.4065 176.3086 44 M 3.9807 7.2098 118.7361 57.1865 33.0111 176.0971 45 E 3.6821 7.7237 115.2220 54.6249 28.6322 174.3350 46 K 3.4824 8.4204 118.3434 59.9926 31.8252 179.0273 47 K 3.7738 7.8075 119.4910 59.8140 32.0259 177.9657 48 E 3.8790 7.5065 118.4928 58.8933 29.3700 179.3596 49 K 2.0000 6.1163 114.8020 58.8742 31.9330 178.3103 50 L 3.8294 7.4390 118.5524 58.6807 42.1392 179.9972 51 M 4.1394 7.4136 117.7713 58.1568 31.7095 178.8684 52 W 4.4889 8.7986 119.6107 59.9222 29.0995 178.0846 53 I 3.8703 7.8552 119.2952 64.7496 36.5549 178.1615 54 K 3.4420 8.0706 120.0018 59.3322 31.7960 178.8021 55 K 4.1221 8.0300 119.3553 59.5389 32.2295 178.3641 56 A 4.2955 7.9795 119.7289 53.7904 17.2793 179.1674 57 A 4.0491 8.8411 121.0303 54.9617 18.3318 179.3619 58 E 4.1663 8.9437 118.3201 59.2165 29.9816 178.2461 59 D 4.5766 7.9340 118.8713 56.7084 41.0133 178.2665 60 Q 4.3747 8.7487 120.4187 58.8171 28.9551 178.5635 61 K 3.9631 7.6011 117.7907 59.6467 31.8492 179.2455 62 R 3.9531 7.8414 117.2866 59.3568 29.8221 178.0306 63 Y 4.3073 7.9507 118.6001 60.0740 39.1265 176.7543 64 E 3.2486 7.7717 120.7062 59.0250 29.5910 178.8486 65 R 4.0257 7.6199 118.1816 58.9072 29.8536 178.2599 66 E 3.9432 7.5981 117.9818 60.0918 29.6513 178.4734 67 L 4.0806 8.1199 119.2892 55.4682 40.7915 179.7467 68 S 4.2784 8.9085 114.1663 62.6568 63.2878 177.6980 69 E 4.0654 8.1824 121.4836 59.5394 29.4517 179.4640 70 M 3.9415 8.9512 118.6872 58.2772 32.2598 176.9054 71 R 4.4762 9.1964 115.7172 55.7469 30.7467 175.7825 72 A 4.8556 7.8437 117.7057 50.4201 19.2264 176.8628 73 P 4.3226 0.0000 0.0000 65.3023 32.1257 176.7770 74 P 4.4036 0.0000 0.0000 65.4399 32.0244 178.2981 75 A 3.9471 7.5367 121.3633 53.6819 19.3157 176.4135 76 A 5.2220 8.0269 120.1571 49.4212 21.5746 175.6328 77 T 4.2534 8.5166 106.8465 63.3658 68.3142 174.4810 78 N 5.4207 7.2753 135.0000 54.9585 42.3245 173.3248 79 S 4.3185 7.9649 114.2121 57.5785 62.7996 175.8845 80 S 5.1342 8.5419 120.5653 58.4739 63.6277 176.5245 81 K 4.2366 9.2606 129.9895 55.6782 39.4042 176.2387 82 K 4.0781 8.8096 119.5952 54.4462 29.8936 177.3931 83 L 3.4139 8.8410 116.6259 55.8244 40.0669 174.9771 *84 E 4.1504 7.8660 117.3774 56.2230 30.3595 177.6723 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 1 G 8.35 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 0.00 0.00 0.00 2 K 8.32 4.49 0.00 1.88 1.82 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.67 7.81 3 L 8.24 4.82 0.00 1.63 1.65 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.19 0.00 2.53 2.19 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.95 0.00 5 E 9.13 4.45 0.00 1.88 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 1.77 2.07 0.00 6 S 6.84 3.21 0.00 3.68 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 7 P 0.00 4.63 0.00 2.15 2.07 0.00 3.62 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 8 K 8.62 4.46 0.00 1.65 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.54 7.81 9 R 8.67 3.80 0.00 2.14 1.97 0.00 3.43 0.00 0.00 3.43 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 10 A 8.10 4.80 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 0.00 0.00 0.00 0.00 0.00 11 E 8.57 4.10 0.00 2.03 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 2.33 2.19 0.00 12 E 8.33 4.12 0.00 1.95 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 2.36 2.22 0.00 13 I 7.90 3.75 2.24 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 1.49 1.06 1.09 0.00 0.00 14 W 8.20 3.45 0.00 3.25 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 15 Q 8.14 3.92 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 16 Q 8.04 3.86 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 17 S 7.37 4.06 0.00 3.58 3.23 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 18 V 7.70 3.92 2.54 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 -0.16 0.00 0.00 0.88 0.00 0.00 19 I 8.27 3.85 1.89 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 1.47 1.36 0.96 0.00 0.00 20 G 8.06 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.63 4.40 0.00 2.55 2.44 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 22 Y 7.83 4.08 0.00 3.13 3.01 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 0.00 0.00 0.00 23 L 9.01 4.23 0.00 1.91 1.73 0.92 0.84 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 24 A 7.91 4.03 1.44 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 25 R 7.49 3.84 0.00 1.90 2.10 0.00 3.09 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 26 F 8.09 4.81 0.00 3.09 2.90 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 27 K 8.62 3.74 0.00 1.98 1.89 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 28 N 8.74 4.57 0.00 2.64 2.99 0.00 0.00 6.88 8.41 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 29 D 8.79 4.34 0.00 2.90 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 30 R 7.27 3.71 0.00 1.86 1.81 0.00 3.41 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 V 7.90 3.62 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 1.11 0.00 0.00 0.89 0.00 0.00 32 K 9.38 3.90 0.00 2.14 1.99 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 2.07 7.81 33 A 7.90 3.86 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 34 L 8.64 3.84 0.00 1.75 1.65 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.63 3.87 0.00 1.91 1.84 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.60 7.81 36 A 8.57 4.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.86 4.23 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 3.14 0.00 38 E 8.32 3.68 0.00 2.10 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 2.17 2.03 0.00 39 M 8.63 3.95 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 40 T 7.56 4.20 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 41 W 7.74 3.40 0.00 1.78 2.94 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 0.00 0.00 0.00 42 N 8.41 4.49 0.00 3.01 2.89 0.00 0.00 6.96 7.01 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 43 N 8.54 4.47 0.00 2.79 2.94 0.00 0.00 7.30 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 44 M 7.21 3.98 0.00 1.85 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 45 E 7.72 3.68 0.00 2.11 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 2.07 2.10 0.00 46 K 8.42 3.48 0.00 1.64 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.34 7.81 47 K 7.81 3.77 0.00 1.70 1.64 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.42 7.81 48 E 7.51 3.88 0.00 1.16 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 2.09 2.23 0.00 49 K 6.12 2.00 0.00 0.91 0.74 0.00 1.10 0.00 0.00 1.09 0.00 0.00 2.48 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.63 7.81 50 L 7.44 3.83 0.00 1.61 1.63 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.41 4.14 0.00 2.09 2.44 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 52 W 8.80 4.49 0.00 3.52 3.45 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 53 I 7.86 3.87 2.13 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 1.59 1.23 1.00 0.00 0.00 54 K 8.07 3.44 0.00 1.85 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 55 K 8.03 4.12 0.00 2.17 1.98 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 A 7.98 4.30 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 4.05 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 0.00 0.00 58 E 8.94 4.17 0.00 1.96 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 2.35 2.38 0.00 59 D 7.93 4.58 0.00 2.96 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 60 Q 8.75 4.37 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 61 K 7.60 3.96 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 62 R 7.84 3.95 0.00 2.09 2.08 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 63 Y 7.95 4.31 0.00 3.26 3.30 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 64 E 7.77 3.25 0.00 2.03 1.83 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 2.21 2.16 0.00 65 R 7.62 4.03 0.00 1.87 2.06 0.00 3.12 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 66 E 7.60 3.94 0.00 2.16 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 0.00 2.54 2.57 0.00 67 L 8.12 4.08 0.00 1.66 1.56 0.53 0.85 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 68 S 8.91 4.28 0.00 3.80 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 69 E 8.18 4.07 0.00 2.37 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 2.29 2.46 0.00 70 M 8.95 3.94 0.00 1.77 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 71 R 9.20 4.48 0.00 1.85 1.86 0.00 3.31 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 72 A 7.84 4.86 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 73 P 0.00 4.32 0.00 2.05 2.12 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 74 P 0.00 4.40 0.00 2.40 2.29 0.00 3.84 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 2.24 1.94 0.00 75 A 7.54 3.95 1.30 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 0.00 0.00 76 A 8.03 5.22 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 77 T 8.52 4.25 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 1.20 0.00 0.00 78 N 7.28 5.42 0.00 2.78 2.84 0.00 0.00 6.93 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 79 S 7.96 4.32 0.00 3.87 3.35 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 0.00 80 S 8.54 5.13 0.00 3.87 3.94 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 0.00 0.00 0.00 81 K 9.26 4.24 0.00 1.64 1.82 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.19 7.81 82 K 8.81 4.08 0.00 1.95 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.35 7.81 83 L 8.84 3.41 0.00 1.73 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *84 E 7.87 4.15 0.00 1.73 1.76 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 2.13 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.