NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2859 8.2649 123.5757 51.9760 18.7517 175.2971 2 V 3.5135 7.9693 114.3168 60.9170 32.3770 174.6225 3 I 4.3517 7.8561 126.3624 59.9382 38.6778 174.9756 4 N 5.0583 8.4393 121.6219 52.0026 38.4368 174.2057 5 T 4.5756 7.6559 109.5445 60.6122 72.1770 175.2079 6 F 4.2597 8.2977 120.1418 61.1329 38.9624 177.7805 7 D 4.5746 8.3321 118.0550 57.2036 40.7380 178.9613 8 G 3.6228 8.1210 106.2176 47.8705 0.0000 176.0397 9 V 3.6496 8.1626 121.0988 65.4103 31.6785 177.8448 10 A 4.0475 8.1567 120.5592 55.5516 18.2743 179.4483 11 D 4.3202 8.4339 117.4913 57.4498 40.7628 178.4084 12 Y 4.0327 8.2648 120.1582 60.6743 38.7800 177.9622 13 L 4.0647 8.2483 120.0849 58.0497 41.5147 179.7309 14 I 3.2074 7.2296 118.0647 64.0476 37.0615 178.2307 15 R 3.6314 7.4362 118.5686 58.6597 29.9264 177.1796 16 Y 4.4072 7.7069 114.4374 56.4074 38.6755 176.6015 17 K 3.5888 7.7297 118.2042 56.3707 30.2566 175.0080 18 R 4.8135 7.2602 112.9834 54.8401 32.4030 174.5654 19 L 4.1436 8.2664 118.4494 53.7109 42.4973 175.5452 20 P 3.7319 0.0000 0.0000 62.4317 31.6965 177.3673 21 N 4.5513 8.3262 116.7045 55.4050 38.6929 175.9113 22 D 4.4831 7.9224 117.0947 53.9461 39.9814 174.7627 23 Y 5.1102 7.5788 118.1262 56.7316 39.4830 175.1204 24 I 4.9737 8.5440 116.3999 59.1247 41.6001 175.0651 25 T 4.6335 8.8080 114.1967 61.1203 70.1286 175.7285 26 K 3.8628 9.4430 122.3313 59.7333 31.9918 179.8910 27 S 4.2198 8.0751 113.9967 61.5802 62.8304 176.4139 28 Q 4.0144 7.8686 120.1843 58.5902 28.7492 178.3203 29 A 4.1477 8.2659 121.9593 55.2663 18.4077 179.8029 30 S 4.4762 8.7402 113.8888 61.8925 62.7204 176.8396 31 A 4.1394 8.1373 122.2409 54.4027 18.1703 178.6060 32 L 4.4750 7.5987 115.3738 54.3749 42.2168 177.2755 33 G 4.1403 7.8481 107.4181 44.7271 0.0000 174.0167 34 W 4.4450 8.1241 129.6849 57.2435 31.4529 175.3469 35 V 3.6683 8.2927 124.1590 60.4651 33.7955 175.5447 36 A 3.7399 7.6686 130.6785 55.2704 18.2107 179.4474 37 S 4.4496 7.8143 108.1151 60.7132 63.2106 175.3009 38 K 4.1166 7.9196 119.7431 56.4761 32.2209 176.7898 39 G 3.0815 7.3225 106.7057 46.3679 0.0000 173.4203 40 D 4.8638 7.8596 114.4900 52.7348 40.2409 177.6896 41 L 3.9943 8.3942 123.4659 59.0644 41.4211 178.6582 42 A 4.0806 8.1142 119.3833 54.4787 18.1401 179.2485 43 E 3.9978 7.8893 116.5711 59.3392 29.7647 179.0671 44 V 4.0450 7.7831 110.1275 62.3066 33.6255 176.5224 45 A 4.6652 8.2009 121.2576 49.2785 19.0551 173.1538 46 P 4.5289 0.0000 0.0000 62.7641 32.2650 177.7841 47 G 3.8875 8.8492 110.0789 45.3849 0.0000 173.1704 48 K 4.6996 7.6172 118.5974 55.1020 34.0776 176.1306 49 S 4.6270 8.3370 118.0967 56.3718 67.0896 173.5257 50 I 4.2663 7.8974 123.2303 61.5121 37.8503 175.3691 51 G 4.2356 9.2082 112.3531 46.7839 0.0000 173.7696 52 G 4.3475 9.7091 109.3950 44.4466 0.0000 174.1247 53 D 4.6899 7.9742 119.6160 53.7588 42.4145 175.8543 54 V 4.2035 8.3503 121.4325 63.0622 32.4503 174.8467 55 F 4.7930 8.7858 130.9553 56.3444 39.8312 175.7265 56 S 3.9671 8.2743 121.6976 59.4411 63.2351 173.8628 57 N 3.7664 6.5874 117.7164 53.9079 37.0250 175.8829 58 R 3.9184 7.2474 114.1582 58.3185 28.2896 177.3662 59 E 3.9875 8.0387 117.3548 56.7423 29.8448 177.7413 60 G 3.9670 7.8261 106.4436 46.4117 0.0000 175.1969 61 R 4.0687 7.3739 118.9044 57.3082 30.4185 176.8142 62 L 4.0681 7.0727 117.3472 51.3607 43.5247 174.5191 63 P 4.4140 0.0000 0.0000 62.7709 31.9421 175.8695 64 S 4.9861 8.5580 115.7324 56.5434 64.6300 173.5588 65 A 5.0648 7.8645 124.4891 51.0946 22.1912 175.4828 66 G 4.5172 8.0802 101.1218 46.5598 0.0000 176.9189 *67 S 4.5804 8.4994 117.8746 57.8220 67.3387 172.8091 68 R 4.2809 7.1475 117.3906 55.8038 31.0036 175.2958 69 T 4.6333 8.0612 121.7383 61.6312 71.4826 173.4485 70 W 5.1249 8.5865 123.2841 55.0601 32.7447 174.8028 71 R 5.2464 8.6392 121.7270 54.2932 34.2843 173.8610 72 E 5.4697 8.8996 117.2691 55.0441 33.7254 174.3785 73 A 5.0037 8.8967 120.5469 50.6810 22.9603 175.6243 74 D 5.0314 9.2977 122.4687 54.4219 41.5213 176.0939 75 I 4.4087 8.2063 122.2407 60.2760 40.7704 175.9359 76 N 4.2004 8.9555 121.6150 54.0476 36.2936 173.6613 77 Y 4.2643 7.3350 120.9206 57.1257 39.6398 174.6532 78 V 3.7656 7.0927 124.4561 63.3456 33.5248 175.1104 79 S 4.2275 6.3856 109.3596 58.9600 65.5931 175.5046 80 G 3.8183 8.5689 107.1158 44.8123 0.0000 173.3540 81 F 4.4386 8.6001 118.8412 57.1156 39.7613 175.4471 82 R 4.2492 8.7108 122.2691 56.4690 30.6421 176.9315 83 N 4.8507 8.5531 118.2989 52.2075 40.0651 174.4636 84 A 4.5569 8.4736 119.4673 52.4849 20.0790 176.2780 85 D 5.4494 8.5564 117.6810 53.1293 42.9604 176.0378 86 R 4.9618 9.2087 121.4391 54.5692 35.2824 173.5785 87 L 5.3097 9.1486 124.6494 53.5359 44.6495 175.1420 88 V 5.1098 9.3361 126.1619 61.2483 34.0249 173.7003 89 Y 5.7677 9.2222 125.9268 55.4427 41.5588 174.9771 90 S 4.0074 8.7418 117.2542 56.4080 65.0557 175.3990 91 S 3.4952 7.8776 115.4674 60.3979 62.7373 174.7362 92 D 4.4914 7.2965 119.1475 52.6541 39.3320 176.2088 93 W 3.9045 6.9484 116.6353 58.3240 27.0327 174.4067 94 L 4.3680 7.8336 119.0223 54.8021 41.8293 176.1420 95 I 5.3681 8.4708 122.7354 59.9887 40.8064 173.9528 96 Y 5.3696 9.7067 124.7576 55.9400 41.7647 174.7731 97 K 5.2936 9.2321 120.9035 55.4842 36.0533 174.8202 98 T 4.7445 9.0036 116.2566 60.3512 70.6383 174.0825 99 T 5.0931 8.7436 115.6623 60.5076 69.0570 173.5072 100 D 4.7118 7.0986 121.1499 53.8145 40.1699 174.5064 101 H 3.2433 8.7050 114.5029 58.7486 28.4827 174.4469 102 Y 3.1997 7.3714 112.0127 58.1488 36.3458 171.0033 103 A 4.1578 7.6447 123.5090 54.6656 18.6237 178.6035 104 T 4.7557 8.0535 103.5011 59.7859 71.8353 173.0556 105 F 5.3385 8.6126 120.0113 56.2130 43.1469 174.3549 106 T 4.7370 9.0156 117.9049 61.6022 71.9841 173.3719 107 R 3.7563 8.5860 127.2947 55.9785 30.2046 175.9576 108 I 4.4510 8.6613 118.4030 60.6492 39.4846 175.7652 109 R 4.1839 7.6762 124.4724 56.6034 31.0420 174.5510 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 A 8.26 4.29 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 2 V 7.97 3.51 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 0.66 0.00 0.00 0.85 0.00 0.00 3 I 7.86 4.35 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.91 0.00 0.00 4 N 8.44 5.06 0.00 2.76 2.83 0.00 0.00 5.87 7.22 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 5 T 7.66 4.58 4.27 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 1.20 0.00 0.00 6 F 8.30 4.26 0.00 3.21 3.12 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 0.00 0.00 0.00 7 D 8.33 4.57 0.00 2.79 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 8 G 8.12 3.62 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 0.00 9 V 8.16 3.65 2.20 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 0.94 0.00 0.00 1.08 0.00 0.00 10 A 8.16 4.05 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 11 D 8.43 4.32 0.00 2.82 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 12 Y 8.26 4.03 0.00 3.33 3.10 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 13 L 8.25 4.06 0.00 1.87 1.66 0.42 0.72 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 14 I 7.23 3.21 1.72 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.75 0.00 0.00 15 R 7.44 3.63 0.00 1.40 1.20 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 16 Y 7.71 4.41 0.00 2.59 2.65 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 17 K 7.73 3.59 0.00 1.85 1.89 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.73 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.04 1.31 7.81 18 R 7.26 4.81 0.00 1.88 1.99 0.00 3.15 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 19 L 8.27 4.14 0.00 1.67 1.47 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.73 0.00 2.25 1.28 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.42 0.00 21 N 8.33 4.55 0.00 2.66 2.85 0.00 0.00 6.97 8.06 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 22 D 7.92 4.48 0.00 2.76 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 Y 7.58 5.11 0.00 3.01 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 24 I 8.54 4.97 1.94 0.00 0.00 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 1.17 0.77 0.89 0.00 0.00 25 T 8.81 4.63 4.46 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 1.31 0.00 0.00 26 K 9.44 3.86 0.00 1.90 2.14 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.64 7.81 27 S 8.08 4.22 0.00 4.09 4.17 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 28 Q 7.87 4.01 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 29 A 8.27 4.15 1.13 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 0.00 0.00 30 S 8.74 4.48 0.00 4.14 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 31 A 8.14 4.14 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 32 L 7.60 4.47 0.00 1.84 1.75 0.93 0.86 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 33 G 7.85 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 0.00 0.00 0.00 0.00 34 W 8.12 4.44 0.00 3.20 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 35 V 8.29 3.67 1.90 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 0.74 0.00 0.00 0.84 0.00 0.00 36 A 7.67 3.74 1.07 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 37 S 7.81 4.45 0.00 4.03 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 38 K 7.92 4.12 0.00 1.85 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.32 7.81 39 G 7.32 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 0.00 0.00 0.00 40 D 7.86 4.86 0.00 2.84 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 41 L 8.39 3.99 0.00 1.52 1.70 0.51 0.41 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 42 A 8.11 4.08 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 43 E 7.89 4.00 0.00 2.16 2.03 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 2.34 2.35 0.00 44 V 7.78 4.05 2.29 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 0.86 0.00 0.00 1.12 0.00 0.00 45 A 8.20 4.67 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 46 P 0.00 4.53 0.00 2.05 2.00 0.00 4.04 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 47 G 8.85 3.89 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 0.00 0.00 0.00 48 K 7.62 4.70 0.00 1.66 1.61 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.49 7.81 49 S 8.34 4.63 0.00 2.88 3.54 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 50 I 7.90 4.27 1.66 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.23 0.82 0.00 0.00 51 G 9.21 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 52 G 9.71 4.35 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 0.00 53 D 7.97 4.69 0.00 2.69 2.65 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 54 V 8.35 4.20 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 0.78 0.00 0.00 0.93 0.00 0.00 55 F 8.79 4.79 0.00 3.01 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 56 S 8.27 3.97 0.00 3.84 3.76 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 57 N 6.59 3.77 0.00 2.75 2.74 0.00 0.00 6.98 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 58 R 7.25 3.92 0.00 1.84 1.89 0.00 3.03 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 59 E 8.04 3.99 0.00 2.10 2.03 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 2.40 2.32 0.00 60 G 7.83 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.37 4.07 0.00 1.96 2.15 0.00 3.29 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 62 L 7.07 4.07 0.00 0.66 0.13 -0.78 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.41 0.00 2.31 2.13 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 64 S 8.56 4.99 0.00 4.02 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 65 A 7.86 5.06 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 66 G 8.08 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.58 0.00 3.59 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 68 R 7.15 4.28 0.00 1.53 1.70 0.00 3.18 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.95 0.00 69 T 8.06 4.63 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 1.13 0.00 0.00 70 W 8.59 5.12 0.00 3.53 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 71 R 8.64 5.25 0.00 0.67 1.57 0.00 3.01 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 72 E 8.90 5.47 0.00 2.14 2.03 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 2.33 2.36 0.00 73 A 8.90 5.00 1.05 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 0.00 0.00 74 D 9.30 5.03 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 75 I 8.21 4.41 1.43 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 1.35 1.03 -0.24 0.00 0.00 76 N 8.96 4.20 0.00 2.78 2.90 0.00 0.00 6.91 7.03 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 77 Y 7.34 4.26 0.00 3.19 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 78 V 7.09 3.77 1.82 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 0.76 0.00 0.00 0.78 0.00 0.00 79 S 6.39 4.23 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 81 F 8.60 4.44 0.00 3.16 3.14 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 0.00 82 R 8.71 4.25 0.00 1.96 1.94 0.00 3.21 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 83 N 8.55 4.85 0.00 2.86 2.97 0.00 0.00 5.97 7.26 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 84 A 8.47 4.56 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 85 D 8.56 5.45 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.21 4.96 0.00 1.65 1.84 0.00 3.56 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.19 0.00 87 L 9.15 5.31 0.00 1.95 1.70 1.33 0.92 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 V 9.34 5.11 1.90 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 0.56 0.00 0.00 0.82 0.00 0.00 89 Y 9.22 5.77 0.00 3.22 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 90 S 8.74 4.01 0.00 2.72 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 91 S 7.88 3.50 0.00 3.72 3.73 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 92 D 7.30 4.49 0.00 2.72 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 93 W 6.95 3.90 0.00 3.56 3.42 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 94 L 7.83 4.37 0.00 1.86 2.04 1.15 0.70 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 95 I 8.47 5.37 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 1.13 0.00 0.00 96 Y 9.71 5.37 0.00 2.80 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 97 K 9.23 5.29 0.00 1.22 1.69 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.59 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.08 7.81 98 T 9.00 4.74 3.54 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 0.93 0.00 0.00 99 T 8.74 5.09 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 1.24 0.00 0.00 100 D 7.10 4.71 0.00 2.76 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 0.00 101 H 8.71 3.24 0.00 3.21 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.37 3.20 0.00 3.26 3.25 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 0.00 103 A 7.64 4.16 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 0.00 104 T 8.05 4.76 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 1.22 0.00 0.00 105 F 8.61 5.34 0.00 2.87 3.06 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 0.00 0.00 0.00 106 T 9.02 4.74 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 1.16 0.00 0.00 107 R 8.59 3.76 0.00 0.85 1.52 0.00 2.97 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 108 I 8.66 4.45 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.82 0.00 0.00 109 R 7.68 4.18 0.00 1.84 1.84 0.00 3.41 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.