NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.6368 8.4444 116.3391 55.0394 30.0413 173.0134 7 R 3.9090 8.5114 121.6061 58.3100 30.2256 173.7418 8 L 3.9577 7.7585 126.7289 50.4695 43.3613 177.1147 9 S 4.5773 9.2239 118.2939 57.2982 65.2514 175.0877 10 A 4.1864 8.5299 120.9736 55.0017 18.0409 179.7109 11 E 3.9707 8.0904 116.7946 60.1819 29.3143 178.3946 12 E 3.7783 8.7578 117.7457 59.9455 29.5525 179.5887 13 R 3.9568 8.8240 117.5396 59.9242 30.2339 178.7871 14 D 4.4581 7.5731 118.0985 58.1238 40.9676 179.1720 15 Q 4.2366 7.9448 118.5530 58.3911 28.6676 178.4351 16 L 4.7192 7.2947 115.4822 57.3454 43.2772 178.4042 17 L 3.8832 8.5257 118.9748 58.6641 41.1307 177.4166 18 P 3.7977 0.0000 0.0000 65.4926 31.4663 177.3204 19 N 4.4308 8.2586 114.9717 57.0390 39.0264 177.4360 20 L 4.0819 7.3838 117.7552 57.5988 41.6879 179.6028 21 R 4.2553 9.7494 119.2933 58.8531 29.8869 178.7687 22 A 4.0533 8.8681 119.5789 55.3920 18.3906 179.5690 23 V 3.9199 7.6859 109.0426 62.0903 31.9648 176.1592 24 G 3.4679 7.3614 105.7600 44.6223 0.0000 173.9328 25 W 4.6529 8.6311 122.4332 56.4484 30.3635 175.2794 26 N 5.2146 9.5154 121.2619 51.5366 42.1620 173.1616 27 E 4.9968 8.7699 120.3805 55.4104 31.1913 175.7659 28 L 4.4685 8.9065 124.5543 53.8471 43.4778 176.0135 29 E 4.3290 8.6129 123.4897 56.5535 30.3804 175.4614 30 G 4.2405 9.1093 114.6402 45.9664 0.0000 174.0117 31 R 4.6831 7.2361 113.0938 54.1953 32.8184 175.2279 32 D 4.8119 8.4365 119.4623 53.3167 39.5456 174.1892 33 A 5.1949 7.9478 122.7763 50.1744 23.3627 175.1149 34 I 5.2627 8.8130 113.6034 59.6861 40.8163 174.3500 35 F 5.6836 9.6776 124.9045 57.2493 43.2753 172.9695 36 K 3.6680 7.2239 121.1029 54.9835 35.9248 173.7311 37 Q 5.0938 7.7334 124.4050 54.4321 30.3816 174.7409 38 F 4.3488 9.7846 124.3097 56.2508 41.2079 174.4693 39 H 4.9911 7.9941 121.0003 54.4535 32.2297 172.3638 40 F 4.7057 8.9771 123.9702 55.1612 41.6729 175.6280 41 K 4.0727 8.8023 120.4105 59.0788 32.5310 175.3755 42 D 4.2869 7.3612 116.1189 51.3061 41.3137 174.8920 43 F 4.3188 8.3025 120.3755 59.9048 39.3301 177.1447 44 N 4.2264 7.9919 116.5828 56.6966 38.8299 176.8607 45 R 3.6878 8.1482 119.0532 58.9642 30.0836 178.7352 46 A 2.8819 7.2157 119.9588 55.0450 18.3741 179.5873 47 F 3.6227 8.6704 119.4002 60.9448 39.3891 177.5432 48 G 3.5008 8.2560 106.0100 47.4155 0.0000 175.3991 49 F 4.0032 8.1600 123.2953 61.4790 39.3404 176.8724 50 M 3.3930 7.8285 118.5040 58.7152 31.5267 178.8627 51 T 3.6078 7.2386 115.3781 66.6440 68.6777 176.6539 52 R 3.9648 7.7178 119.2818 59.4020 30.0641 179.3190 53 V 3.7020 7.6503 117.5129 66.1201 31.5022 177.8149 54 A 3.8609 8.4663 120.8412 55.2444 18.1795 179.4488 55 L 3.9093 8.2764 117.7750 58.1827 41.6629 179.9268 56 Q 3.6845 8.0036 117.5121 58.6017 28.5104 178.1204 57 A 3.9640 8.3721 124.1685 54.5981 18.0943 179.6346 58 E 3.8880 8.1761 115.7158 59.2542 29.6105 178.8740 59 K 3.9095 7.4716 118.5418 59.8788 32.2455 178.3306 60 L 4.0330 7.7298 117.3562 55.1486 41.9555 176.3766 61 D 4.3562 8.6544 116.6440 55.1676 39.7957 174.0742 62 H 4.5226 7.5873 117.1916 54.7104 31.6295 171.0868 63 H 4.7591 8.3095 124.0810 53.5324 30.4221 173.3389 64 P 4.4243 0.0000 0.0000 62.1514 33.1816 175.6054 65 E 4.6987 8.5099 120.7562 54.6305 30.1446 174.9782 66 W 6.3000 8.9421 120.5326 53.6493 31.6443 174.4256 67 F 5.2470 9.2261 122.9666 56.7521 42.1822 173.4583 68 N 5.3159 7.6910 122.0946 52.0781 42.2836 174.5340 69 V 4.1649 7.9521 124.2113 60.1815 33.4295 177.5753 70 Y 3.9547 9.0060 134.2906 59.3406 37.6514 170.1727 71 N 4.9007 9.3889 113.8380 51.9995 38.1428 174.5235 72 K 5.3372 7.8996 116.9637 55.6110 36.3250 175.4719 73 V 5.0512 9.3369 121.9453 60.5237 34.8452 173.7420 74 H 5.3776 9.3168 121.8903 54.3335 31.0403 173.8363 75 I 5.2816 9.5148 124.6779 59.8836 40.4774 174.6680 76 T 5.5063 9.2233 122.6028 61.8826 72.0627 172.9368 77 L 5.0990 9.0171 125.5161 53.1474 45.4695 175.5911 78 S 4.7168 8.4435 115.4190 57.8949 65.3963 174.9210 79 T 4.2870 9.0438 126.9858 63.0658 67.2025 175.8522 *80 H 3.9608 9.0432 122.7769 58.5029 27.7847 176.2992 81 E 3.5982 6.7098 117.8173 57.7028 31.0317 177.7684 82 C 4.5500 8.2760 110.6857 58.2827 30.3758 173.7445 83 A 4.3184 8.2113 120.5294 53.5008 16.7329 177.6151 84 G 4.5602 6.7990 104.8271 47.7782 0.0000 173.8919 85 L 4.9532 8.4403 119.2745 55.3959 43.1971 176.4360 86 S 4.4183 8.7208 114.3531 56.1595 66.7098 174.6758 87 E 3.8432 9.1229 120.2543 60.0622 29.0366 178.4456 88 R 3.7523 7.4910 115.8896 59.9138 30.1126 178.3018 89 D 4.4133 7.9367 117.3629 58.2750 40.8988 178.5629 90 I 3.5391 7.8413 120.0151 63.8277 36.9207 177.8625 91 N 4.0407 8.9856 116.8551 56.9143 38.6079 177.0115 92 L 3.8577 8.5769 121.2476 58.2646 41.9310 179.1422 93 A 3.7405 7.6554 119.7538 54.9168 18.4805 179.4261 94 S 4.1651 8.3389 114.0257 61.6730 62.9388 176.5103 95 F 4.0906 8.4091 123.3418 61.6901 39.1271 176.9011 96 I 3.8070 8.3822 119.5817 64.8147 36.9326 178.1293 97 E 4.2691 8.4962 118.9987 59.7411 29.0832 179.1945 98 Q 3.9902 8.0713 117.5056 59.0841 28.5256 179.2868 99 V 3.4643 7.2451 117.6709 65.8745 31.6452 177.4788 100 A 4.3134 7.9796 119.3278 55.2026 18.4426 179.2513 101 V 3.8160 8.0114 116.9328 66.2341 31.2998 179.0847 102 S 4.7693 7.4873 108.7126 58.1563 62.7961 173.7970 103 M 4.6604 8.0127 122.9199 54.9613 33.1422 175.9114 104 T 4.1219 8.2461 113.0025 62.1592 68.3298 173.5539 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 H 8.44 4.64 0.00 3.29 3.45 0.00 5.50 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.51 3.91 0.00 2.10 1.91 0.00 3.36 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 8 L 7.76 3.96 0.00 1.56 1.53 0.90 0.90 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 9 S 9.22 4.58 0.00 3.88 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 10 A 8.53 4.19 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 11 E 8.09 3.97 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 2.40 2.39 0.00 12 E 8.76 3.78 0.00 2.13 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 2.34 2.39 0.00 13 R 8.82 3.96 0.00 1.80 2.02 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 14 D 7.57 4.46 0.00 2.91 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 15 Q 7.94 4.24 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 16 L 7.29 4.72 0.00 1.67 1.65 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.53 3.88 0.00 1.69 1.77 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.80 0.00 2.17 1.95 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 19 N 8.26 4.43 0.00 2.80 2.90 0.00 0.00 6.88 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 20 L 7.38 4.08 0.00 1.83 1.54 0.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.75 4.26 0.00 2.09 2.03 0.00 3.18 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 22 A 8.87 4.05 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 23 V 7.69 3.92 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 0.80 0.00 0.00 1.17 0.00 0.00 24 G 7.36 3.47 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 0.00 25 W 8.63 4.65 0.00 3.40 3.17 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 0.00 0.00 0.00 26 N 9.52 5.21 0.00 2.81 2.80 0.00 0.00 6.68 8.32 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 27 E 8.77 5.00 0.00 1.90 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 2.35 2.39 0.00 28 L 8.91 4.47 0.00 1.85 1.57 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.61 4.33 0.00 1.94 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 2.30 2.30 0.00 30 G 9.11 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 0.00 0.00 0.00 0.00 31 R 7.24 4.68 0.00 2.00 1.86 0.00 3.08 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 32 D 8.44 4.81 0.00 2.84 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 33 A 7.95 5.19 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 34 I 8.81 5.26 2.26 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 1.00 0.00 0.00 35 F 9.68 5.68 0.00 3.08 2.89 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 36 K 7.22 3.67 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.32 7.81 37 Q 7.73 5.09 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.61 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 38 F 9.78 4.35 0.00 2.72 2.33 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 39 H 7.99 4.99 0.00 2.94 2.92 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.98 4.71 0.00 2.86 2.86 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 0.00 0.00 0.00 41 K 8.80 4.07 0.00 1.72 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 42 D 7.36 4.29 0.00 2.89 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 43 F 8.30 4.32 0.00 3.04 3.22 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 0.00 44 N 7.99 4.23 0.00 2.81 2.91 0.00 0.00 7.25 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 45 R 8.15 3.69 0.00 1.93 1.74 0.00 3.50 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 A 7.22 2.88 1.15 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 0.00 0.00 47 F 8.67 3.62 0.00 1.86 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.50 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 0.00 0.00 0.00 49 F 8.16 4.00 0.00 2.54 2.70 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 50 M 7.83 3.39 0.00 0.89 1.15 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.62 0.00 51 T 7.24 3.61 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 1.16 0.00 0.00 52 R 7.72 3.96 0.00 1.88 2.07 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 53 V 7.65 3.70 2.35 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 0.84 0.00 0.00 0.45 0.00 0.00 54 A 8.47 3.86 1.50 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 0.00 0.00 55 L 8.28 3.91 0.00 1.83 1.72 0.92 0.76 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 56 Q 8.00 3.68 0.00 1.87 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 57 A 8.37 3.96 1.24 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 0.00 0.00 58 E 8.18 3.89 0.00 2.06 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 2.40 2.49 0.00 59 K 7.47 3.91 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 L 7.73 4.03 0.00 1.65 1.60 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.65 4.36 0.00 2.78 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 62 H 7.59 4.52 0.00 3.09 2.99 0.00 5.90 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.31 4.76 0.00 3.06 3.11 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.42 0.00 1.04 1.53 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 65 E 8.51 4.70 0.00 2.23 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 0.00 2.33 2.28 0.00 66 W 8.94 6.30 0.00 3.33 3.28 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 0.00 67 F 9.23 5.25 0.00 3.28 3.19 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 68 N 7.69 5.32 0.00 2.62 2.46 0.00 0.00 6.80 7.71 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 69 V 7.95 4.16 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 1.05 0.00 0.00 1.04 0.00 0.00 70 Y 9.01 3.95 0.00 3.13 2.78 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 71 N 9.39 4.90 0.00 2.82 2.25 0.00 0.00 5.43 7.20 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 72 K 7.90 5.34 0.00 1.92 2.02 0.00 1.49 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.52 7.81 73 V 9.34 5.05 2.40 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 1.00 0.00 0.00 1.33 0.00 0.00 74 H 9.32 5.38 0.00 3.57 3.67 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.51 5.28 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.35 1.17 0.00 0.00 76 T 9.22 5.51 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 1.36 0.00 0.00 77 L 9.02 5.10 0.00 1.63 1.79 0.87 0.49 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 78 S 8.44 4.72 0.00 3.89 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 79 T 9.04 4.29 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 1.20 0.00 0.00 *80 H 9.04 3.96 0.00 2.83 3.11 0.00 7.21 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 6.71 3.60 0.00 1.95 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 2.31 2.38 0.00 82 C 8.28 4.55 0.00 3.12 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 83 A 8.21 4.32 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 84 G 6.80 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.95 0.00 1.62 1.59 0.93 1.01 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 86 S 8.72 4.42 0.00 3.89 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 87 E 9.12 3.84 0.00 2.08 1.98 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 2.36 2.47 0.00 88 R 7.49 3.75 0.00 1.72 1.52 0.00 3.11 0.00 0.00 3.06 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 89 D 7.94 4.41 0.00 2.77 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 90 I 7.84 3.54 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.74 0.83 0.00 0.00 91 N 8.99 4.04 0.00 2.77 2.82 0.00 0.00 6.80 7.10 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 92 L 8.58 3.86 0.00 1.64 1.66 0.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.66 3.74 0.65 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 94 S 8.34 4.17 0.00 3.85 3.92 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 95 F 8.41 4.09 0.00 3.06 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 96 I 8.38 3.81 2.45 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 1.25 0.00 0.00 97 E 8.50 4.27 0.00 2.35 2.14 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 2.91 2.73 0.00 98 Q 8.07 3.99 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 99 V 7.25 3.46 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 0.85 0.00 0.00 0.24 0.00 0.00 100 A 7.98 4.31 1.62 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 0.00 0.00 101 V 8.01 3.82 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 1.14 0.00 0.00 0.97 0.00 0.00 102 S 7.49 4.77 0.00 4.07 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 0.00 103 M 8.01 4.66 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 104 T 8.25 4.12 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 * Residues marked with a * may have inaccurate shift predictions.