NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5309 8.1744 115.5093 62.2130 67.5552 172.1588 7 L 4.5037 8.7927 128.6909 53.1356 44.6119 173.2934 8 T 5.1612 9.1676 120.9931 62.0205 72.0648 173.1936 9 V 4.6188 8.9317 118.7019 59.5159 36.3931 174.2416 10 Q 4.9852 8.7192 123.3536 54.6503 30.6122 175.0244 11 I 4.4432 8.7222 127.9387 59.8870 38.4429 174.6788 12 L 3.4579 10.1323 127.0714 56.8603 40.0273 173.9230 13 D 4.5870 8.3550 114.4810 54.2337 39.2962 173.7189 14 K 4.5478 7.7044 116.8276 54.4223 35.6252 174.5005 15 E 5.0554 8.3755 123.0180 54.7552 31.6347 174.4305 16 Y 4.7062 9.0738 123.9249 56.2717 41.5548 173.9266 17 C 5.2425 8.9640 124.8430 57.7804 33.1090 172.5587 18 I 4.7673 8.8376 119.8315 59.1578 41.1534 173.8615 19 N 5.3239 8.6168 120.4739 51.8544 39.7709 174.3681 20 C 4.7248 8.4055 116.9388 55.9587 32.6626 171.9971 21 P 4.3486 0.0000 0.0000 62.6480 31.2224 177.1791 22 D 4.3298 8.9724 122.3537 57.8917 40.8687 177.8008 23 D 4.7635 7.9932 115.4510 54.4726 40.9347 176.1003 24 E 4.6438 8.4456 116.7301 54.7453 31.8038 177.8097 25 R 3.8499 7.6657 117.4697 59.5667 30.0960 178.0478 26 A 4.1437 8.0316 119.2730 55.6812 18.5178 179.3078 27 N 4.3087 8.0940 114.1581 56.5045 38.5859 177.5828 28 L 4.0352 8.3373 120.7916 57.7279 41.6706 179.3970 29 E 3.9638 8.5335 119.0110 59.3889 29.4963 179.2866 30 S 4.1253 8.1973 113.0447 61.1140 62.3315 176.1943 31 A 3.9636 7.8934 123.2651 55.0082 18.1387 179.3862 32 A 3.9362 8.2089 119.6135 55.4441 18.4244 180.1148 33 R 3.9311 8.2293 116.5934 59.4067 30.1332 178.6995 34 Y 3.9666 7.9991 118.9389 60.6174 38.6224 178.0313 35 L 4.0727 8.0975 118.6967 57.8458 41.8535 178.4543 36 D 4.6065 8.3073 117.1764 57.6496 41.4177 178.5186 37 G 3.7033 8.0810 105.9299 47.0847 0.0000 175.4484 38 K 3.8137 7.8061 121.8116 56.5999 32.4739 178.8790 *40 R 4.2656 8.0490 118.4942 55.7761 32.2396 177.8342 41 E 3.9332 8.1280 117.9485 59.2085 30.1300 178.6090 42 I 3.8677 7.9020 119.8373 64.3231 37.1490 178.3611 43 R 3.9577 7.9547 119.3826 59.1641 29.7287 177.5557 44 S 4.6286 7.8950 111.2946 58.8085 63.2999 175.2032 45 S 4.5563 7.9688 117.9068 57.8922 63.7055 175.2349 46 G 3.9309 7.5143 107.8751 45.9014 0.0000 174.6714 47 K 4.0785 7.9361 119.3430 57.6908 32.4320 177.3322 48 V 4.2757 7.6614 118.0595 60.8701 33.0737 174.2935 49 I 4.2395 8.1095 128.3914 60.4998 38.6025 175.5443 50 G 4.0711 8.9341 113.5559 44.8205 0.0000 174.5327 51 A 4.0519 8.8559 125.4120 54.9397 18.3261 179.7628 52 D 4.3236 7.9981 117.4126 56.7858 39.5660 178.9684 53 R 3.9223 7.8839 118.0977 58.7246 30.1608 178.7306 54 V 3.7251 7.7015 117.4500 65.8320 31.7359 177.6921 55 A 4.2038 7.9394 120.6263 54.8058 18.1878 179.7317 56 V 3.9152 8.0665 115.7812 63.2741 31.7273 177.9413 *58 A 4.1956 8.0064 120.3703 51.6887 20.4522 179.6817 59 A 4.0452 8.1735 117.7397 55.3761 18.2885 179.6456 60 L 3.9255 8.6453 119.1230 58.1096 41.9924 178.7054 61 N 4.4064 8.0417 116.8714 56.5262 39.0227 176.5423 62 I 3.5312 8.0332 120.1919 64.0658 38.0835 178.0055 63 T 3.9028 8.1878 116.9049 66.5386 67.9471 176.2804 64 H 4.1371 8.2492 120.4877 59.3513 29.8954 177.1550 65 D 4.3688 7.8576 120.8346 57.2207 40.6334 178.6985 66 L 3.9466 7.9222 119.5398 57.7852 41.5576 179.6047 67 L 4.0175 7.9738 118.9504 57.8833 41.5571 179.2368 68 H 4.3260 7.7430 115.1191 58.8649 28.6532 178.0456 69 R 3.9767 8.1989 120.0061 58.8898 29.8098 179.0208 70 K 3.9813 8.1712 119.8142 59.3251 32.2438 178.7016 71 E 3.9617 8.2452 119.0549 59.4091 29.3045 179.4183 72 R 3.8558 7.8342 118.1660 59.2897 30.2187 178.1902 73 L 3.9335 7.9591 120.1631 58.4120 41.5571 178.7212 74 D 4.4419 8.6233 118.8208 56.9337 40.5685 178.5528 75 Q 4.0266 7.8086 118.7820 58.6243 28.8797 177.7273 76 E 3.9324 8.5117 119.6985 60.0896 29.6624 180.0648 77 S 4.1219 8.1800 114.6454 61.5596 62.8071 176.7434 78 S 4.1380 7.7205 114.9581 61.1467 62.1123 176.4655 79 S 4.0935 8.3554 118.2788 61.7656 62.6018 176.5759 80 T 3.8375 7.9912 118.4526 66.7701 68.2755 176.3531 81 R 3.9066 8.0476 120.4237 59.8369 30.0358 178.3334 82 E 4.0519 8.2643 118.0583 59.0350 29.3950 179.2632 83 R 4.0728 8.0565 119.1322 59.3086 30.0810 178.7052 84 V 3.5778 8.2656 118.6389 65.8940 31.2390 178.0418 85 R 3.8795 8.1047 118.5963 59.4438 29.6983 178.3844 86 E 4.0241 8.0383 117.5819 59.0015 29.8662 179.0124 87 L 4.1512 8.1387 119.3811 57.8147 41.9396 179.4663 88 L 4.0887 8.2547 118.9353 57.4100 41.4841 178.9646 89 D 4.3870 7.8650 118.2112 57.0923 41.0900 178.3490 90 R 4.0331 7.8448 118.2806 58.7009 30.1103 179.1074 91 V 3.5710 7.5891 118.0805 65.8007 31.4043 177.2666 92 D 4.3342 7.7408 116.4300 57.4482 41.3517 178.2827 93 R 4.0391 7.9829 118.1503 59.3062 29.9418 178.9554 94 A 4.0797 8.0279 118.9184 54.5073 17.2022 178.7226 95 L 4.3386 7.6930 115.7867 55.9051 42.0616 178.4974 96 A 4.1804 7.7875 119.9927 54.2553 18.3628 177.0232 97 N 4.4842 7.5428 119.2886 53.6945 39.9699 174.2058 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 T 8.17 4.53 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 1.22 0.00 0.00 7 L 8.79 4.50 0.00 1.82 1.51 0.94 0.46 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 8 T 9.17 5.16 4.26 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 1.29 0.00 0.00 9 V 8.93 4.62 2.13 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 0.74 0.00 0.00 0.98 0.00 0.00 10 Q 8.72 4.99 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 11 I 8.72 4.44 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.91 0.00 0.00 12 L 10.13 3.46 0.00 1.81 1.65 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.35 4.59 0.00 2.87 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 14 K 7.70 4.55 0.00 2.07 1.30 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 15 E 8.38 5.06 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 16 Y 9.07 4.71 0.00 2.94 2.81 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 17 C 8.96 5.24 0.00 2.97 2.84 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 18 I 8.84 4.77 1.89 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 1.37 0.73 0.96 0.00 0.00 19 N 8.62 5.32 0.00 2.63 2.79 0.00 0.00 6.73 7.66 0.00 0.00 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 C 8.41 4.72 0.00 3.02 2.85 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 21 P 0.00 4.35 0.00 2.19 2.01 0.00 3.78 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 2.22 2.11 0.00 22 D 8.97 4.33 0.00 2.70 2.75 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 23 D 7.99 4.76 0.00 2.61 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 24 E 8.45 4.64 0.00 2.22 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 2.20 2.23 0.00 25 R 7.67 3.85 0.00 1.85 2.01 0.00 3.31 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 26 A 8.03 4.14 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 27 N 8.09 4.31 0.00 2.85 2.86 0.00 0.00 7.08 6.74 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 28 L 8.34 4.04 0.00 1.78 1.71 0.91 0.81 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 29 E 8.53 3.96 0.00 2.17 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 2.53 0.00 30 S 8.20 4.13 0.00 4.00 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 31 A 7.89 3.96 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 32 A 8.21 3.94 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 33 R 8.23 3.93 0.00 2.09 2.03 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 34 Y 8.00 3.97 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 35 L 8.10 4.07 0.00 1.85 1.74 0.87 1.00 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 36 D 8.31 4.61 0.00 2.74 2.87 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 0.00 0.00 0.00 37 G 8.08 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 38 K 7.81 3.81 0.00 1.62 1.63 0.00 1.34 0.00 0.00 1.11 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.40 7.81 *40 R 8.05 4.27 0.00 2.05 1.98 0.00 3.17 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 41 E 8.13 3.93 0.00 2.02 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 2.29 2.25 0.00 42 I 7.90 3.87 1.86 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 1.39 0.74 0.90 0.00 0.00 43 R 7.95 3.96 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 44 S 7.90 4.63 0.00 4.07 4.03 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 45 S 7.97 4.56 0.00 4.04 4.20 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 46 G 7.51 3.93 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 0.00 0.00 0.00 47 K 7.94 4.08 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.51 7.81 48 V 7.66 4.28 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 0.88 0.00 0.00 0.93 0.00 0.00 49 I 8.11 4.24 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 1.35 0.72 0.91 0.00 0.00 50 G 8.93 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 51 A 8.86 4.05 1.34 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 0.00 0.00 52 D 8.00 4.32 0.00 2.90 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 53 R 7.88 3.92 0.00 1.91 2.04 0.00 3.21 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 54 V 7.70 3.73 2.24 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 0.81 0.00 0.00 0.96 0.00 0.00 55 A 7.94 4.20 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 56 V 8.07 3.92 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 1.01 0.00 0.00 1.00 0.00 0.00 *58 A 8.01 4.20 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 59 A 8.17 4.05 1.41 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 0.00 0.00 0.00 60 L 8.65 3.93 0.00 1.78 1.73 0.92 0.52 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 61 N 8.04 4.41 0.00 2.86 3.05 0.00 0.00 6.88 7.82 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 62 I 8.03 3.53 2.08 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 1.20 0.93 0.00 0.00 63 T 8.19 3.90 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 64 H 8.25 4.14 0.00 3.39 3.51 0.00 5.78 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 65 D 7.86 4.37 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 66 L 7.92 3.95 0.00 1.82 1.66 0.83 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.97 4.02 0.00 1.65 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.74 4.33 0.00 3.27 3.29 0.00 5.64 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 69 R 8.20 3.98 0.00 1.97 1.95 0.00 3.06 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 70 K 8.17 3.98 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.46 7.81 71 E 8.25 3.96 0.00 2.23 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 2.33 2.45 0.00 72 R 7.83 3.86 0.00 1.91 1.90 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 7.96 3.93 0.00 1.91 1.82 0.91 1.04 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 74 D 8.62 4.44 0.00 2.83 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 0.00 75 Q 7.81 4.03 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 76 E 8.51 3.93 0.00 1.97 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 2.33 2.49 0.00 77 S 8.18 4.12 0.00 3.94 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 78 S 7.72 4.14 0.00 4.16 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 79 S 8.36 4.09 0.00 4.04 3.88 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 80 T 7.99 3.84 4.38 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 1.21 0.00 0.00 81 R 8.05 3.91 0.00 2.11 2.07 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 82 E 8.26 4.05 0.00 2.28 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 2.31 0.00 83 R 8.06 4.07 0.00 1.88 2.06 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 84 V 8.27 3.58 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 1.03 0.00 0.00 0.97 0.00 0.00 85 R 8.10 3.88 0.00 2.05 2.10 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 86 E 8.04 4.02 0.00 2.12 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 2.54 0.00 87 L 8.14 4.15 0.00 1.90 1.70 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.25 4.09 0.00 1.67 1.71 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.86 4.39 0.00 2.79 2.82 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 90 R 7.84 4.03 0.00 2.11 1.96 0.00 3.17 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 91 V 7.59 3.57 2.25 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 1.03 0.00 0.00 1.00 0.00 0.00 92 D 7.74 4.33 0.00 2.73 2.87 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 0.00 0.00 0.00 93 R 7.98 4.04 0.00 2.03 1.96 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 94 A 8.03 4.08 1.36 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 0.00 0.00 95 L 7.69 4.34 0.00 1.72 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.79 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 7.54 4.48 0.00 2.79 2.65 0.00 0.00 6.82 7.44 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 * Residues marked with a * may have inaccurate shift predictions.