NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7359 8.1633 120.2784 55.2622 34.2070 173.8731 2 K 4.8292 9.0446 119.9153 53.7563 37.0977 173.7297 3 L 4.9527 9.2166 125.9518 53.5970 44.6593 174.8361 4 V 4.7483 8.9625 128.0439 61.7986 33.3517 174.4414 5 T 5.1546 8.8332 124.8759 61.8218 71.2535 173.5274 6 V 4.8477 9.1571 126.1748 61.2430 34.6011 173.9905 7 I 5.0435 8.7657 129.5374 59.9361 39.2732 175.0797 8 I 5.1137 8.8154 120.3352 59.0804 41.8570 174.2112 9 K 4.3668 8.2313 120.9499 55.4493 32.5129 176.4210 10 P 4.1880 0.0000 0.0000 65.7404 31.3705 178.1124 11 F 4.4827 8.0655 110.5139 58.3794 38.2290 176.2912 12 K 4.2584 7.6384 121.1341 56.2144 32.0641 177.7639 13 L 3.8817 7.4698 122.7726 58.3647 41.9624 178.4854 14 E 3.9825 8.1564 118.5066 59.3930 29.6171 178.2945 15 D 4.3592 8.0495 118.4641 57.2716 40.8790 178.8003 16 V 3.5565 7.9963 118.8613 65.8736 31.5579 177.8878 17 R 3.9276 8.5097 121.3063 60.3097 29.8630 178.9184 18 E 4.0308 8.5638 118.1011 60.9386 29.4321 180.7745 19 A 4.1735 7.8898 120.7130 55.1665 18.8218 179.4677 20 L 4.0726 8.2649 117.9288 58.0076 41.6916 179.6961 21 S 4.3305 8.8348 115.1197 60.7527 62.0724 176.2988 22 S 4.3172 8.2337 116.4468 60.1066 62.6452 175.3696 23 I 4.4692 7.4943 116.0487 60.5167 38.3515 176.4070 24 G 3.7847 7.9297 106.8545 46.5152 0.0000 174.2535 25 I 4.2937 7.4545 120.9960 59.8761 37.4541 175.6465 26 Q 4.3685 8.5927 124.5541 56.0679 30.6829 176.4301 27 G 3.8550 7.9555 106.4403 44.6711 0.0000 172.4180 28 L 5.0870 8.1254 124.4769 52.7369 46.2999 176.1471 29 T 4.6258 8.5526 116.7429 61.8549 71.3474 173.4174 30 V 4.9139 8.4607 125.8340 61.5085 34.0250 174.8448 31 T 4.7289 8.9112 123.1577 61.8421 72.8451 172.6952 32 E 4.6191 8.7928 125.2500 56.0066 30.7358 176.0556 33 V 4.5972 8.5092 116.7629 59.8638 36.7426 174.1339 34 K 4.9231 8.5387 118.8460 55.2162 36.1409 176.3366 35 G 4.3879 9.0997 110.2613 44.4828 0.0000 171.4288 36 F 5.7972 8.0439 116.4736 55.0092 43.1469 174.5680 37 G 4.2149 8.6439 108.0906 46.5366 0.0000 172.9256 38 R 4.5785 8.5717 121.3729 54.9111 30.5276 177.7492 *53 V 4.0748 8.2545 122.8108 60.4559 32.1815 171.7463 54 N 4.8732 8.4841 125.6094 51.1902 39.5517 172.8022 55 F 4.5299 8.4285 117.1329 57.9408 40.5554 175.4096 56 L 4.7696 8.6250 120.7004 52.3569 45.2679 174.4758 57 P 4.7741 0.0000 0.0000 62.8389 32.2373 175.7578 58 K 4.8150 9.0556 121.6270 55.1393 37.6874 174.9753 59 V 4.7984 8.5558 120.6963 61.0512 34.6817 173.8953 60 K 5.0709 9.2881 129.1827 54.7963 34.4662 174.5803 61 I 5.0442 8.9502 128.4875 59.5926 40.3453 174.1452 62 D 5.5657 9.1904 126.8472 52.3959 43.9543 175.4952 63 V 4.7628 9.1150 122.4653 59.8048 34.7636 174.1546 64 A 5.1752 8.6985 126.3402 50.5982 20.2722 175.9854 65 I 4.8687 8.8544 115.5494 58.9540 42.0322 174.5766 66 A 4.6130 9.2136 125.4418 51.3570 19.6952 178.3291 67 D 4.3857 8.8126 120.5628 57.9192 40.6238 179.2519 68 D 4.5087 8.0567 117.2057 56.4201 41.1327 177.4895 69 Q 4.3319 8.1702 117.9592 55.9491 29.0019 177.1143 70 L 3.9257 7.6449 122.4122 58.5559 42.1016 178.6169 71 D 4.3191 8.0128 117.9913 57.3013 40.7416 178.2897 72 E 3.9056 8.0895 119.3594 59.1444 29.6479 178.8888 73 V 3.5512 8.0110 118.4150 66.1393 31.6810 177.9537 74 I 3.6704 7.9707 119.8258 64.3680 37.0086 177.9609 75 D 4.2573 8.2203 118.6945 57.5584 41.1663 178.4492 76 I 3.7446 7.9854 120.6116 64.2123 37.0047 178.7018 77 V 3.5585 8.1564 119.5359 65.9799 31.5049 178.0541 78 S 4.1168 8.0639 114.8455 61.8181 62.5301 176.8874 79 K 3.9012 7.6501 118.7069 59.5592 31.8586 178.9878 80 A 4.1608 7.8861 119.7873 54.7897 18.4688 179.0438 81 A 4.0917 8.1463 117.9676 53.1756 19.1722 177.5077 82 Y 4.3843 7.2570 118.3354 58.2189 39.4383 175.8359 83 T 4.2078 8.2053 112.8616 60.8454 71.7185 175.2439 84 G 3.5869 7.6809 108.9072 44.5023 0.0000 173.2575 85 K 4.4077 7.6122 119.6276 54.4706 33.4991 176.4622 86 I 3.8540 7.9981 115.3374 62.4490 37.6833 176.3167 87 G 3.9794 8.8780 109.5616 45.4842 0.0000 174.9644 88 D 4.2540 7.1978 120.8512 55.8959 40.9584 175.5678 89 G 4.2376 7.5683 102.6408 44.9484 0.0000 172.3276 90 K 4.5570 8.2773 115.4948 54.8593 36.8976 175.4406 91 I 4.8429 7.8380 122.2210 59.5765 39.5508 175.1087 92 F 4.9357 9.3094 125.3795 55.5590 42.3178 174.3569 93 V 4.8697 8.5924 121.6610 61.1392 33.9628 174.3143 94 A 4.8612 8.6176 127.4843 49.8788 23.1716 174.5407 95 E 4.3253 8.8129 120.5856 56.0293 30.6367 175.6962 96 L 4.5804 8.4415 129.1571 53.6838 43.0256 176.1002 97 Q 4.1962 8.8959 126.1359 58.4837 29.3113 176.2507 98 R 4.8065 7.3380 114.0665 55.2107 33.0634 173.6176 99 V 4.6107 8.7608 121.7179 61.3036 35.4570 174.0613 100 I 4.9797 8.1861 126.2733 59.5092 40.8077 174.8391 101 R 4.1260 9.1543 128.6417 55.6177 30.1131 176.7282 102 I 3.6754 8.7437 128.4211 64.6425 37.3461 177.6733 103 R 4.0419 8.1540 118.5396 58.6839 29.9943 176.8872 104 T 4.3396 7.9890 105.0991 60.7494 70.4857 175.1981 105 G 3.9415 8.6118 110.1201 45.1006 0.0000 173.5939 106 E 4.0465 7.9615 119.2313 56.2825 30.3636 175.9122 107 A 5.2529 8.2079 123.7166 51.3532 23.5220 178.5490 108 D 4.1687 8.8952 121.5859 55.1882 40.9247 177.3911 109 E 4.1109 9.2004 130.1995 60.1850 29.4190 178.2601 110 A 4.0961 7.8952 119.6077 53.5382 18.6670 177.6420 111 A 4.5215 8.0401 117.5470 51.9774 19.9563 177.1316 112 L 4.1890 7.3468 120.5877 54.8601 41.6342 176.8414 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 M 8.16 4.74 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 K 9.04 4.83 0.00 1.62 1.65 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.60 7.81 3 L 9.22 4.95 0.00 1.64 1.54 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.96 4.75 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 0.85 0.00 0.00 0.95 0.00 0.00 5 T 8.83 5.15 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 1.30 0.00 0.00 6 V 9.16 4.85 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 1.00 0.00 0.00 0.95 0.00 0.00 7 I 8.77 5.04 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.97 0.00 0.00 8 I 8.82 5.11 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.88 0.00 0.00 9 K 8.23 4.37 0.00 1.19 0.82 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.33 7.81 10 P 0.00 4.19 0.00 2.25 2.14 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 11 F 8.07 4.48 0.00 3.13 3.15 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 12 K 7.64 4.26 0.00 1.63 1.71 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.45 1.38 7.81 13 L 7.47 3.88 0.00 1.86 1.67 0.92 0.80 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 14 E 8.16 3.98 0.00 2.13 1.95 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 2.39 2.48 0.00 15 D 8.05 4.36 0.00 2.91 2.72 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 0.00 0.00 0.00 16 V 8.00 3.56 2.18 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 1.06 0.00 0.00 0.93 0.00 0.00 17 R 8.51 3.93 0.00 1.97 2.05 0.00 3.15 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 1.63 1.66 0.00 18 E 8.56 4.03 0.00 1.99 1.95 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 2.24 2.20 0.00 19 A 7.89 4.17 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 20 L 8.26 4.07 0.00 1.98 1.96 0.92 0.71 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 21 S 8.83 4.33 0.00 3.91 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 22 S 8.23 4.32 0.00 4.05 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 23 I 7.49 4.47 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 1.64 0.82 0.91 0.00 0.00 24 G 7.93 3.78 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 0.00 25 I 7.45 4.29 1.99 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 1.41 1.22 0.91 0.00 0.00 26 Q 8.59 4.37 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 G 7.96 3.85 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 0.00 0.00 0.00 28 L 8.13 5.09 0.00 1.48 1.54 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.55 4.63 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 30 V 8.46 4.91 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 31 T 8.91 4.73 4.23 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 1.19 0.00 0.00 32 E 8.79 4.62 0.00 1.81 1.85 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 2.27 2.32 0.00 33 V 8.51 4.60 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 0.76 0.00 0.00 0.92 0.00 0.00 34 K 8.54 4.92 0.00 1.42 1.50 0.00 1.21 0.00 0.00 0.74 0.00 0.00 2.18 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.25 7.81 35 G 9.10 4.39 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 0.00 36 F 8.04 5.80 0.00 2.91 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 37 G 8.64 4.21 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 0.00 0.00 0.00 38 R 8.57 4.58 0.00 1.83 1.73 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 *53 V 8.25 4.07 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 0.86 0.00 0.00 0.93 0.00 0.00 54 N 8.48 4.87 0.00 2.43 2.71 0.00 0.00 6.90 8.28 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 55 F 8.43 4.53 0.00 2.87 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 56 L 8.62 4.77 0.00 1.55 1.52 0.99 1.02 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 57 P 0.00 4.77 0.00 1.95 1.97 0.00 3.67 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 2.04 2.11 0.00 58 K 9.06 4.81 0.00 1.60 1.72 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 59 V 8.56 4.80 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 0.83 0.00 0.00 0.92 0.00 0.00 60 K 9.29 5.07 0.00 1.81 1.75 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61 I 8.95 5.04 1.88 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 1.23 0.51 0.92 0.00 0.00 62 D 9.19 5.57 0.00 2.54 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 0.00 0.00 0.00 0.00 63 V 9.12 4.76 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 0.89 0.00 0.00 0.94 0.00 0.00 64 A 8.70 5.18 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 65 I 8.85 4.87 2.01 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 1.27 1.31 0.92 0.00 0.00 66 A 9.21 4.61 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.39 0.00 2.70 2.76 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 0.00 0.00 0.00 68 D 8.06 4.51 0.00 2.64 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 69 Q 8.17 4.33 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 70 L 7.64 3.93 0.00 1.96 1.67 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.01 4.32 0.00 2.72 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 72 E 8.09 3.91 0.00 2.02 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 2.37 2.36 0.00 73 V 8.01 3.55 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 1.06 0.00 0.00 1.01 0.00 0.00 74 I 7.97 3.67 1.97 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 0.94 0.88 0.00 0.00 75 D 8.22 4.26 0.00 2.85 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 76 I 7.99 3.74 1.87 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 1.71 0.78 0.91 0.00 0.00 77 V 8.16 3.56 2.18 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 1.10 0.00 0.00 0.94 0.00 0.00 78 S 8.06 4.12 0.00 4.01 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 79 K 7.65 3.90 0.00 1.86 1.87 0.00 1.51 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 80 A 7.89 4.16 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 81 A 8.15 4.09 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 82 Y 7.26 4.38 0.00 3.11 3.04 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 83 T 8.21 4.21 4.19 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 1.23 0.00 0.00 84 G 7.68 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.61 4.41 0.00 1.82 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.32 7.81 86 I 8.00 3.85 1.88 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 1.35 0.53 0.92 0.00 0.00 87 G 8.88 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 88 D 7.20 4.25 0.00 2.81 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 89 G 7.57 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 90 K 8.28 4.56 0.00 1.24 0.93 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.42 7.81 91 I 7.84 4.84 1.75 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 1.30 0.50 0.88 0.00 0.00 92 F 9.31 4.94 0.00 2.91 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 93 V 8.59 4.87 2.11 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 0.82 0.00 0.00 0.94 0.00 0.00 94 A 8.62 4.86 1.22 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 0.00 0.00 95 E 8.81 4.33 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 2.29 2.37 0.00 96 L 8.44 4.58 0.00 1.56 1.54 0.97 0.79 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 97 Q 8.90 4.20 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 98 R 7.34 4.81 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 99 V 8.76 4.61 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 1.00 0.00 0.00 0.93 0.00 0.00 100 I 8.19 4.98 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 1.23 0.66 0.91 0.00 0.00 101 R 9.15 4.13 0.00 1.86 1.83 0.00 3.25 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 102 I 8.74 3.68 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 1.30 0.64 0.91 0.00 0.00 103 R 8.15 4.04 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.99 4.34 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 0.00 105 G 8.61 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 0.00 0.00 0.00 106 E 7.96 4.05 0.00 2.08 1.89 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 2.33 2.26 0.00 107 A 8.21 5.25 1.22 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 0.00 0.00 108 D 8.90 4.17 0.00 2.80 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 0.00 0.00 0.00 109 E 9.20 4.11 0.00 2.03 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 2.40 2.32 0.00 110 A 7.90 4.10 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 0.00 111 A 8.04 4.52 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 0.00 112 L 7.35 4.19 0.00 1.78 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.