NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.3417 8.4449 116.7533 55.7868 32.1499 176.0257 -5 N 4.5727 7.7369 116.0477 51.5109 39.4461 174.1878 -4 L 4.3576 8.3772 120.2809 56.8365 43.3047 176.2986 -3 Y 4.9904 6.9678 114.1684 54.4008 41.1316 173.7733 -2 F 4.2017 9.2450 122.9308 58.1282 39.9106 175.7162 -1 Q 4.2331 6.9812 127.6981 54.5451 29.2848 176.6361 0 G 3.2020 5.8067 107.8846 48.0250 0.0000 175.2398 -4 I 4.1876 8.2172 118.3809 62.8365 39.7047 175.0986 -3 K 4.7604 7.1378 114.2684 52.7008 36.4316 174.4733 -2 V 3.7017 8.9750 121.8308 62.6282 33.2106 176.2162 -1 N 4.6331 7.0612 126.5981 51.9451 38.7848 175.8361 0 V 3.3620 5.5067 118.2846 65.1251 31.7881 176.6398 *8 Y 4.4443 8.1587 119.4281 56.9785 39.1052 173.1710 9 P 4.8324 0.0000 0.0000 62.7062 32.2815 175.8907 10 Y 4.1848 8.8364 126.3031 57.8861 39.6101 175.1965 11 T 4.3000 7.9320 124.8071 61.8480 71.3316 173.3642 12 E 3.8423 8.7883 122.8531 57.9311 29.6116 173.9059 13 G 3.9803 8.7703 113.1465 44.1664 0.0000 173.1820 14 A 4.1649 7.3850 120.9698 51.7496 19.0591 177.2947 15 R 4.0938 8.4387 120.7407 56.2024 31.6407 175.5381 16 F 4.2529 8.4774 128.8428 56.3379 41.4968 174.0527 17 D 4.5918 8.9970 127.9444 53.6341 40.6640 175.8628 18 H 4.5385 8.8356 124.8707 58.3706 28.8108 177.4418 19 A 3.9935 8.1539 122.4011 55.3187 18.3316 178.7886 20 Y 3.8137 8.2244 118.0113 60.8898 37.8245 177.3740 21 Y 3.6646 7.8172 120.4198 60.8967 38.5573 177.9946 22 C 3.9973 7.9030 117.9867 62.1908 31.9051 174.5293 23 D 4.5873 8.0786 118.2477 54.1910 39.6144 177.1765 24 R 4.2227 7.4680 117.0255 57.8816 31.7985 177.1518 25 H 4.4001 6.8087 113.1772 56.9541 29.3996 173.6287 *27 P 4.2276 0.0000 0.0000 62.2207 32.9162 178.6379 *29 V 3.8819 7.7955 119.6408 62.8192 33.3744 177.3017 30 K 4.0137 7.9588 119.5567 59.4034 31.8462 178.2794 31 A 4.0087 7.8807 120.0397 55.5247 18.3558 179.6137 32 R 3.8655 7.7654 114.7246 59.1122 30.6176 178.7831 33 L 4.0976 8.2531 119.1967 55.3597 41.7489 178.4780 34 G 3.7929 8.8088 107.8256 46.6949 0.0000 177.1964 35 S 4.2125 8.8292 118.3435 59.9784 63.1510 175.2769 36 A 4.0845 8.0278 124.3168 54.1158 18.3314 176.4204 37 C 5.0854 7.5705 115.6722 57.3911 33.6339 173.4301 38 A 4.3774 9.0161 130.3303 54.9526 18.4974 176.6529 39 Y 4.8962 7.1496 110.9413 56.5946 41.0376 172.5552 40 Y 5.5114 8.4951 117.7927 55.4326 41.4267 174.5786 41 T 4.8764 8.8256 109.4998 60.0982 72.5274 172.9233 42 V 4.9905 8.2947 121.4258 61.5058 34.6410 173.8912 43 E 4.8835 8.8203 123.0034 54.8088 33.4993 173.6335 44 K 4.8125 8.5398 121.6013 54.0997 34.3521 176.1178 45 G 3.8201 8.8701 116.0473 45.4095 0.0000 172.4630 46 L 4.3893 8.5102 123.0186 55.8539 43.2630 176.2412 47 A 4.5544 7.4625 117.1068 51.3805 22.2321 175.8330 48 G 4.1035 8.0131 109.8970 44.9300 0.0000 174.0861 49 S 4.1764 8.7130 113.3656 61.0555 63.7912 175.0341 50 A 4.0546 7.8186 126.2037 51.6953 18.7814 177.2641 *51 S 4.2399 8.4768 117.7086 59.5079 62.4458 175.2569 52 G 3.8953 8.9231 113.2764 44.6017 0.0000 172.8767 53 A 4.1562 7.8774 124.0560 50.5698 19.1318 176.3761 54 P 4.3842 0.0000 0.0000 61.1920 32.2375 174.3575 55 P 4.3311 0.0000 0.0000 62.0632 32.4044 176.4508 56 A 3.8182 8.5493 122.4370 54.5487 18.1548 177.4836 57 F 5.4197 7.7115 114.5636 55.5549 41.5729 177.0510 58 V 3.8904 8.9230 124.1328 64.6141 32.3936 175.5407 59 A 5.1643 7.6257 119.7614 49.8697 22.4490 174.4804 *61 C 4.5726 8.4786 112.6513 58.5853 31.1689 173.2024 62 A 5.5050 8.3183 119.6152 50.5484 22.5094 175.0890 63 F 4.9507 8.6279 120.4825 55.8111 41.0420 175.2789 64 I 4.5269 8.3186 126.0132 60.4570 38.1568 174.9099 65 C 5.1417 8.3204 124.0641 57.9325 31.0479 174.5356 66 D 4.4347 8.2482 124.4349 56.5163 41.1254 177.4865 67 S 4.5472 7.7371 112.5466 55.4198 65.9812 174.1441 68 A 3.9277 8.6771 130.7653 55.3102 18.3341 179.3992 69 E 4.1832 8.2869 116.6438 59.7865 29.6195 179.2159 70 N 4.4198 8.4218 116.5463 56.0826 38.3578 177.1641 71 F 4.0528 7.8194 120.6697 61.7018 39.5569 176.5507 72 Y 4.2398 7.8568 114.6758 60.8145 38.0027 178.0135 73 A 4.3062 8.3185 121.6098 55.0553 18.4308 180.6749 74 A 4.0253 7.7530 117.1638 52.7760 18.2040 178.8453 *76 Y 4.3797 7.7867 122.5407 59.4438 40.4386 176.1061 77 Y 3.9355 7.8663 115.5754 60.4522 38.1706 176.2791 78 H 4.9405 8.6091 114.0844 54.6798 30.7297 175.6257 79 G 3.5694 8.0457 107.4705 47.4887 0.0000 175.6619 80 A 3.9485 7.8405 122.5275 55.0043 18.2771 179.0810 81 E 3.8724 8.0524 115.7081 59.4800 30.0225 178.4649 82 I 3.9436 7.8637 119.7218 64.6852 37.2828 178.4413 83 L 4.2105 8.4796 120.1631 57.7967 41.2200 179.8804 84 G 3.6962 8.2140 104.7414 47.2405 0.0000 174.5032 85 D 4.6539 8.0787 118.8945 55.8264 41.4001 178.1299 86 I 3.0019 7.5985 119.9983 64.4671 36.8594 177.8760 87 A 4.0961 7.6680 121.1771 54.2463 18.1995 178.7995 88 N 4.2176 7.7299 114.1353 55.1083 38.8688 175.2831 89 Y 4.4293 6.6731 115.5823 56.3532 39.6503 174.6564 90 T 4.5186 6.8554 112.5508 62.5556 70.5350 172.8415 91 D 4.8568 8.4941 124.1374 53.9861 41.4025 176.3857 92 I 4.0521 7.7318 121.5165 60.3421 37.7378 175.4341 93 A 4.2611 8.5759 129.2614 50.8970 18.7043 175.3855 94 P 4.2452 0.0000 0.0000 62.3966 32.3914 175.5296 95 V 4.2060 7.8993 119.3511 61.5650 32.5977 174.5515 96 L 5.5286 8.4869 129.4587 53.5109 44.1528 175.0651 97 Q 4.6261 8.5324 125.5660 54.5354 32.4749 173.5263 98 I 4.9269 8.4368 125.7290 59.8038 39.1558 175.0964 99 S 4.7894 8.4412 121.7107 56.3362 66.6976 173.2417 100 E 4.2198 8.5267 123.5206 55.8354 30.3217 176.3882 101 V 3.8215 8.4765 126.9665 62.6448 31.7948 175.5282 102 V 3.8262 8.4948 127.4151 64.6919 31.9032 176.0059 103 V 4.3290 7.4194 119.1186 60.7877 33.2886 174.5497 104 E 4.1366 9.0825 128.8681 58.6781 30.1293 177.2173 105 R 4.5644 7.5825 114.2507 54.8745 31.9371 175.8075 106 S 4.1644 8.8665 118.2527 60.8643 63.0988 174.5762 107 D 4.6967 7.9972 118.1922 53.3706 39.7077 176.4167 108 R 4.1960 7.8208 124.6239 56.6921 30.8837 174.9773 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 -6 E 8.44 4.34 0.00 2.01 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 2.13 1.91 0.00 -5 N 7.74 4.57 0.00 2.65 2.71 0.00 0.00 6.93 6.97 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 -4 L 8.38 4.36 0.00 1.86 1.86 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 6.97 4.99 0.00 3.14 3.03 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 0.00 0.00 0.00 0.00 -2 F 9.25 4.20 0.00 3.20 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 -1 Q 6.98 4.23 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 0 G 5.81 3.20 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 0.00 -4 I 8.22 4.19 1.87 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 1.10 2.17 0.91 0.00 0.00 -3 K 7.14 4.76 0.00 1.95 1.80 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.32 7.81 -2 V 8.98 3.70 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 0.97 0.00 0.00 0.93 0.00 0.00 -1 N 7.06 4.63 0.00 2.70 2.70 0.00 0.00 6.58 7.02 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 V 5.51 3.36 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 0.80 0.00 0.00 0.93 0.00 0.00 *8 Y 8.16 4.44 0.00 2.90 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 9 P 0.00 4.83 0.00 1.99 1.98 0.00 3.82 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 2.12 2.31 0.00 10 Y 8.84 4.18 0.00 2.87 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 11 T 7.93 4.30 4.14 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 1.17 0.00 0.00 12 E 8.79 3.84 0.00 1.98 1.81 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 2.24 1.91 0.00 13 G 8.77 3.98 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 0.00 0.00 0.00 14 A 7.38 4.16 1.18 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 15 R 8.44 4.09 0.00 1.88 1.76 0.00 3.10 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 16 F 8.48 4.25 0.00 2.96 2.79 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 17 D 9.00 4.59 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.84 4.54 0.00 3.36 3.54 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.15 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.22 3.81 0.00 3.23 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 21 Y 7.82 3.66 0.00 2.42 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 22 C 7.90 4.00 0.00 3.14 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 D 8.08 4.59 0.00 2.79 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 24 R 7.47 4.22 0.00 0.67 1.22 0.00 3.11 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.00 25 H 6.81 4.40 0.00 3.38 3.28 0.00 5.98 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 P 0.00 4.23 0.00 2.20 2.11 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 *29 V 7.80 3.88 2.04 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 0.62 0.00 0.00 0.81 0.00 0.00 30 K 7.96 4.01 0.00 2.09 2.08 0.00 1.86 0.00 0.00 2.24 0.00 0.00 3.39 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.85 1.73 7.81 31 A 7.88 4.01 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 32 R 7.77 3.87 0.00 1.83 1.83 0.00 2.96 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 33 L 8.25 4.10 0.00 1.83 1.72 0.52 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.81 3.79 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 0.00 35 S 8.83 4.21 0.00 4.01 4.02 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 36 A 8.03 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.57 5.09 0.00 3.00 2.91 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 38 A 9.02 4.38 1.29 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 0.00 0.00 0.00 39 Y 7.15 4.90 0.00 2.87 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 40 Y 8.50 5.51 0.00 2.68 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 41 T 8.83 4.88 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 1.35 0.00 0.00 42 V 8.29 4.99 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 0.97 0.00 0.00 1.01 0.00 0.00 43 E 8.82 4.88 0.00 2.07 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 2.32 2.36 0.00 44 K 8.54 4.81 0.00 1.72 1.72 0.00 1.54 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.34 7.81 45 G 8.87 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 46 L 8.51 4.39 0.00 1.61 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.46 4.55 1.18 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 48 G 8.01 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 0.00 0.00 0.00 0.00 49 S 8.71 4.18 0.00 3.98 3.98 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 50 A 7.82 4.05 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 *51 S 8.48 4.24 0.00 3.64 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.90 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 0.00 0.00 0.00 53 A 7.88 4.16 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 54 P 0.00 4.38 0.00 0.97 1.40 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 55 P 0.00 4.33 0.00 2.34 2.09 0.00 2.95 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 56 A 8.55 3.82 0.78 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 0.00 0.00 57 F 7.71 5.42 0.00 3.02 3.21 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 58 V 8.92 3.89 2.15 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 0.45 0.00 0.00 0.95 0.00 0.00 59 A 7.63 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 8.48 4.57 0.00 2.98 3.11 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 0.00 62 A 8.32 5.50 1.19 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 0.00 0.00 0.00 63 F 8.63 4.95 0.00 2.85 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 64 I 8.32 4.53 0.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.45 0.59 0.00 0.00 65 C 8.32 5.14 0.00 2.72 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 66 D 8.25 4.43 0.00 2.71 2.71 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 67 S 7.74 4.55 0.00 3.81 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 68 A 8.68 3.93 1.45 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 0.00 0.00 69 E 8.29 4.18 0.00 2.17 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 2.50 2.61 0.00 70 N 8.42 4.42 0.00 2.79 2.91 0.00 0.00 6.66 7.67 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 71 F 7.82 4.05 0.00 2.89 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 72 Y 7.86 4.24 0.00 3.07 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 73 A 8.32 4.31 1.51 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 0.00 0.00 74 A 7.75 4.03 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 *76 Y 7.79 4.38 0.00 2.86 3.07 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 77 Y 7.87 3.94 0.00 2.93 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 78 H 8.61 4.94 0.00 3.19 3.21 0.00 5.62 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 79 G 8.05 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 0.00 0.00 0.00 80 A 7.84 3.95 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 81 E 8.05 3.87 0.00 1.99 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 2.33 2.43 0.00 82 I 7.86 3.94 2.03 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 1.51 1.24 1.04 0.00 0.00 83 L 8.48 4.21 0.00 1.72 1.75 0.94 0.86 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 84 G 8.21 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 4.65 0.00 2.95 3.09 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 86 I 7.60 3.00 1.79 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.74 0.00 0.00 87 A 7.67 4.10 1.19 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 0.00 0.00 0.00 88 N 7.73 4.22 0.00 2.53 2.09 0.00 0.00 6.75 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 89 Y 6.67 4.43 0.00 2.84 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 90 T 6.86 4.52 3.79 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 0.91 0.00 0.00 91 D 8.49 4.86 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.73 4.05 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 1.12 0.00 0.00 93 A 8.58 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 94 P 0.00 4.25 0.00 1.72 0.49 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 95 V 7.90 4.21 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 0.80 0.00 0.00 1.04 0.00 0.00 96 L 8.49 5.53 0.00 1.70 1.55 1.10 0.80 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 97 Q 8.53 4.63 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.47 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 98 I 8.44 4.93 1.93 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 1.28 0.86 0.88 0.00 0.00 99 S 8.44 4.79 0.00 3.66 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 0.00 100 E 8.53 4.22 0.00 1.52 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 2.32 2.46 0.00 101 V 8.48 3.82 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 0.85 0.00 0.00 0.91 0.00 0.00 102 V 8.49 3.83 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 0.83 0.00 0.00 0.98 0.00 0.00 103 V 7.42 4.33 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 0.90 0.00 0.00 0.94 0.00 0.00 104 E 9.08 4.14 0.00 2.02 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 2.41 2.41 0.00 105 R 7.58 4.56 0.00 1.99 1.99 0.00 2.99 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 106 S 8.87 4.16 0.00 4.00 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 0.00 107 D 8.00 4.70 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.82 4.20 0.00 1.80 1.80 0.00 3.34 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.