NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 H 4.5658 8.4293 117.3543 55.2996 30.1912 173.3237 -4 H 4.7632 7.9646 110.3980 55.7463 28.5791 172.5105 -3 H 4.5548 8.7165 117.0994 56.2797 30.7424 176.7264 -2 H 4.9008 8.5840 120.4159 54.9079 30.3251 174.3299 -1 H 4.8974 8.2414 119.6902 55.7544 32.7347 174.8506 *0 H 3.7712 9.0369 115.8798 56.7633 27.8810 176.6937 -3 D 4.4648 8.6365 119.2994 55.4797 42.8424 178.9264 -2 L 4.5108 8.3240 124.0159 55.0079 43.7251 177.8299 -1 V 4.2874 7.8514 120.6902 62.9544 36.6347 177.0506 *0 E 3.3912 9.0369 117.8798 58.3633 28.7810 179.1937 6 K 3.9778 7.8863 117.6979 59.5033 32.2025 178.8408 7 V 3.5312 7.8413 117.7581 66.2484 31.0415 177.9495 8 K 3.8768 7.9696 115.8300 59.5405 32.2720 178.1236 9 E 3.9770 8.2325 118.8438 59.5413 29.0624 178.1885 10 L 3.8964 8.2007 120.2139 58.8431 42.0105 178.9954 11 C 3.8818 7.9523 116.2180 62.5419 27.9311 176.2126 12 L 3.9946 8.4264 123.4539 58.4202 41.1760 179.7148 13 E 4.1114 7.4016 111.6578 57.5348 29.8146 178.9971 14 L 4.4211 7.7842 118.7363 55.5448 42.8384 177.7953 15 E 4.0867 8.8432 116.0567 56.2266 29.2748 179.4309 16 E 4.1428 7.7753 119.5504 57.8020 29.2244 177.3430 17 E 4.2037 8.5159 127.3587 60.9207 30.8455 176.1935 18 N 4.3053 8.1650 120.1001 56.9895 37.4480 178.8307 19 L 4.1279 7.8563 119.9199 58.6185 41.9232 178.6786 20 A 4.1049 7.5625 123.5025 55.7129 18.2583 180.4273 21 K 4.3465 9.1655 124.1164 59.1682 31.7676 181.9257 22 A 4.2742 8.1526 121.7204 55.2390 18.2608 179.4459 23 I 4.0354 7.9832 118.3122 64.9478 37.0022 178.0609 24 E 4.0975 8.0590 120.2947 60.4601 29.4362 180.3335 25 R 4.0431 7.9914 120.2151 61.5190 29.1514 180.3887 26 F 3.9444 8.5747 123.0301 61.7758 39.4943 177.5440 27 I 4.0053 8.6139 121.3334 66.0914 35.4748 180.5797 28 T 4.3258 8.4033 118.7020 66.4965 68.1410 180.4327 29 L 4.6544 7.5897 123.2109 57.1399 40.6988 180.2990 30 T 4.7542 8.1420 113.1853 62.4088 70.2523 179.1904 *31 H 4.4588 8.4765 122.1240 58.1873 28.5778 180.7803 32 G 3.6769 8.2026 109.2868 47.7736 0.0000 176.0993 33 I 3.6199 7.7747 122.2277 65.3316 35.3362 180.7308 34 E 4.8650 7.7818 124.4008 59.0237 29.1370 179.6378 35 K 3.9057 7.9739 122.9274 60.2026 31.8774 180.5941 36 T 4.2636 7.7083 109.2321 63.4643 69.2626 175.4209 37 R 4.0817 8.7263 118.9427 54.9889 31.9365 175.5403 38 G 3.8208 7.7992 103.8662 44.2851 0.0000 174.0755 39 E 3.8448 8.8506 117.3478 59.2325 29.6747 178.2347 40 A 4.0535 8.0893 120.3419 55.3724 18.5280 179.0770 41 F 3.8327 8.3521 118.0990 61.3670 39.5291 176.9527 42 A 4.1159 8.0797 119.7563 55.3486 18.2349 179.6706 43 K 3.4617 8.8254 117.4168 59.2784 31.9866 179.5402 44 A 4.0503 8.5497 121.4076 54.7821 18.2046 180.0153 45 S 4.0785 7.8287 113.5655 61.7438 63.0213 176.8004 46 I 3.9185 7.6401 122.2645 64.7317 36.8173 178.1283 47 Y 4.5742 8.2022 118.0320 61.2299 37.6665 178.9339 48 G 3.6669 8.0896 106.2630 47.7661 0.0000 175.4261 49 F 4.0603 8.2282 122.9163 61.1171 39.2965 177.3039 50 L 3.7310 8.2043 118.8689 57.4367 41.0185 179.2714 51 E 3.9663 8.3646 119.0010 59.4082 29.5965 179.3615 52 G 3.7480 8.0512 105.6801 48.0773 0.0000 175.5102 53 I 3.5134 7.2781 122.0127 64.0961 37.0948 178.4580 54 L 3.9649 8.4180 119.9705 58.1972 41.1600 180.0263 55 T 3.9502 8.1338 115.6179 66.6378 68.6157 176.8659 56 T 4.0622 7.5723 109.7192 64.1666 69.1169 176.4013 57 L 4.3869 7.9457 124.4632 57.6761 42.0029 180.1442 58 K 4.5215 7.7883 127.5352 56.7437 30.6325 181.0438 *60 K 4.3459 7.8937 123.5814 54.5371 34.0425 177.2305 61 Y 4.7461 8.2921 117.9045 56.7616 40.4906 175.8641 62 S 4.6229 8.3536 113.8259 57.7088 64.9380 169.9622 63 N 4.0733 8.3719 119.1748 54.9710 38.7195 175.3487 64 E 4.0390 9.2212 128.3458 61.9111 29.5115 176.1348 65 K 4.1620 8.1333 122.2596 60.0514 31.4669 182.8446 66 I 3.9126 8.0931 122.3550 65.2699 37.1125 178.9260 67 E 4.0266 8.2020 120.8642 62.0329 29.1627 181.5006 68 T 4.0446 7.8596 115.9136 65.9832 68.5859 177.8848 69 L 4.1247 8.1923 123.7507 57.6327 42.0968 178.6520 70 L 3.9512 8.6729 123.7063 58.7860 41.9798 179.1427 71 N 4.2978 8.5682 119.5548 57.6687 37.3952 178.5851 72 E 4.0971 7.6888 120.2712 59.2348 29.5174 179.5930 73 V 3.2982 7.6199 120.1703 66.4464 31.5378 178.6879 74 K 4.1323 7.9422 124.5452 59.6364 31.5566 180.7858 75 T 4.0423 8.4229 117.4172 66.5157 68.3793 176.6140 76 A 3.9770 8.6311 123.0904 54.8772 18.1582 179.9329 77 R 4.0407 8.1002 116.8461 59.5988 30.2981 178.9147 78 E 4.1181 8.2013 118.2553 59.5970 29.2634 179.2166 79 E 3.9585 7.9430 117.8796 59.5939 29.7957 178.5448 80 T 4.0964 7.9315 114.9739 66.6041 68.6661 175.9398 81 E 4.1770 8.4127 117.5594 57.2653 30.3408 177.1536 82 A 4.1420 7.2207 122.3641 52.0989 18.9631 176.1798 83 L 4.8858 8.1831 119.5081 53.1590 45.2561 176.4106 84 L 4.7490 7.9104 120.0345 54.5404 42.0801 177.8883 85 R 4.1978 7.7493 121.4945 57.0371 30.1024 176.5986 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 *-5 H 8.43 4.57 0.00 2.95 2.94 0.00 7.21 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.96 4.76 0.00 3.16 3.30 0.00 5.69 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 -3 H 8.72 4.55 0.00 3.11 3.14 0.00 5.93 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 -2 H 8.58 4.90 0.00 3.16 3.15 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 -1 H 8.24 4.90 0.00 3.15 3.21 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *0 H 9.04 3.77 0.00 3.04 2.98 0.00 7.23 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 D 8.64 4.46 0.00 2.54 2.63 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 0.00 0.00 0.00 0.00 -2 L 8.32 4.51 0.00 1.49 1.61 0.92 0.85 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 -1 V 7.85 4.29 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 0.93 0.00 0.00 *0 E 9.04 3.39 0.00 1.81 1.78 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 2.18 2.09 0.00 6 K 7.89 3.98 0.00 1.92 1.77 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.64 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 0.99 7.81 7 V 7.84 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 8 K 7.97 3.88 0.00 1.91 1.87 0.00 1.99 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.70 7.81 9 E 8.23 3.98 0.00 2.00 2.17 0.00 0.00 0.00 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 2.36 0.00 10 L 8.20 3.90 0.00 1.71 1.79 0.85 1.03 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 11 C 7.95 3.88 0.00 3.22 3.18 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 12 L 8.43 3.99 0.00 1.75 1.68 0.91 0.95 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 13 E 7.40 4.11 0.00 1.98 1.87 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 2.26 2.17 0.00 14 L 7.78 4.42 0.00 1.63 1.16 0.20 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.84 4.09 0.00 2.10 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 2.12 2.09 0.00 16 E 7.78 4.14 0.00 1.97 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 2.32 2.39 0.00 17 E 8.52 4.20 0.00 2.01 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 2.25 1.92 0.00 18 N 8.17 4.31 0.00 2.72 2.88 0.00 0.00 6.43 6.67 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 19 L 7.86 4.13 0.00 1.75 1.67 0.90 0.97 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 20 A 7.56 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.17 4.35 0.00 1.74 1.83 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.18 7.81 22 A 8.15 4.27 1.55 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 23 I 7.98 4.04 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 1.08 0.00 0.00 24 E 8.06 4.10 0.00 2.27 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 2.38 2.53 0.00 25 R 7.99 4.04 0.00 1.84 1.96 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 26 F 8.57 3.94 0.00 2.63 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 27 I 8.61 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.91 0.00 0.00 28 T 8.40 4.33 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 29 L 7.59 4.65 0.00 1.75 1.57 0.92 0.64 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 30 T 8.14 4.75 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 *31 H 8.48 4.46 0.00 2.83 3.09 0.00 7.16 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.20 3.68 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 0.00 0.00 0.00 33 I 7.77 3.62 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 34 E 7.78 4.86 0.00 2.15 1.97 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 2.31 2.34 0.00 35 K 7.97 3.91 0.00 1.87 1.72 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 36 T 7.71 4.26 4.10 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 0.00 0.00 1.14 0.00 0.00 37 R 8.73 4.08 0.00 1.14 1.26 0.00 2.27 0.00 0.00 2.81 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 38 G 7.80 3.82 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 0.00 0.00 0.00 39 E 8.85 3.84 0.00 2.07 1.97 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 2.39 2.38 0.00 40 A 8.09 4.05 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 41 F 8.35 3.83 0.00 3.12 3.02 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 0.00 0.00 0.00 42 A 8.08 4.12 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 43 K 8.83 3.46 0.00 1.89 1.47 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 1.44 7.81 44 A 8.55 4.05 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 45 S 7.83 4.08 0.00 4.11 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 46 I 7.64 3.92 1.73 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.95 1.07 0.00 0.00 47 Y 8.20 4.57 0.00 3.07 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 48 G 8.09 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.23 4.06 0.00 2.58 2.92 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 50 L 8.20 3.73 0.00 1.86 1.65 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.36 3.97 0.00 2.16 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 2.29 2.31 0.00 52 G 8.05 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 53 I 7.28 3.51 1.68 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.76 0.00 0.00 54 L 8.42 3.96 0.00 1.74 1.68 0.89 0.85 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 55 T 8.13 3.95 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 1.19 0.00 0.00 56 T 7.57 4.06 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 57 L 7.95 4.39 0.00 1.75 1.84 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.79 4.52 0.00 1.83 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *60 K 7.89 4.35 0.00 1.79 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 61 Y 8.29 4.75 0.00 2.86 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 62 S 8.35 4.62 0.00 3.58 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.07 0.00 2.75 2.76 0.00 0.00 7.31 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 64 E 9.22 4.04 0.00 2.01 1.97 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 2.32 1.96 0.00 65 K 8.13 4.16 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.11 7.81 66 I 8.09 3.91 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.90 0.00 0.00 67 E 8.20 4.03 0.00 1.97 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 2.31 1.95 0.00 68 T 7.86 4.04 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 69 L 8.19 4.12 0.00 2.00 1.71 0.91 0.55 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 70 L 8.67 3.95 0.00 1.79 1.81 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.57 4.30 0.00 2.71 2.83 0.00 0.00 7.09 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 72 E 7.69 4.10 0.00 2.01 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 2.12 2.38 0.00 73 V 7.62 3.30 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 1.05 0.00 0.00 0.85 0.00 0.00 74 K 7.94 4.13 0.00 1.81 1.81 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.22 7.81 75 T 8.42 4.04 4.43 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 1.14 0.00 0.00 76 A 8.63 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.10 4.04 0.00 2.09 2.03 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 78 E 8.20 4.12 0.00 2.19 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 2.34 2.46 0.00 79 E 7.94 3.96 0.00 1.97 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 2.34 2.43 0.00 80 T 7.93 4.10 4.57 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 1.29 0.00 0.00 81 E 8.41 4.18 0.00 2.13 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 2.54 2.34 0.00 82 A 7.22 4.14 1.35 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 0.00 0.00 83 L 8.18 4.89 0.00 1.61 1.60 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.91 4.75 0.00 1.61 1.64 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.75 4.20 0.00 1.76 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.00 * Residues marked with a * may have inaccurate shift predictions.