NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2953 8.3144 124.0441 55.1383 33.8704 174.2520 8 Q 4.0588 7.9680 124.8235 53.1307 30.8394 172.4761 9 Q 4.9261 7.7554 124.1795 55.9439 32.4497 172.7915 10 G 4.1164 7.6780 112.1704 45.5491 0.0000 171.6906 11 E 4.7850 8.8605 117.2503 56.2138 30.7502 176.1044 12 L 4.7153 8.9119 120.8356 53.4163 46.9272 174.8294 13 Y 5.1430 8.9687 119.0726 57.5892 39.8615 174.7083 14 M 5.2502 9.4688 122.3500 53.2977 36.0862 174.4995 15 W 4.3714 8.3854 132.7278 56.1988 31.6517 175.3616 16 D 4.3696 7.6632 128.7432 52.4376 41.0290 176.9743 17 S 3.7426 8.1439 119.8837 59.4141 62.6416 175.0902 18 I 3.9223 6.8574 121.8639 63.7070 37.6656 176.4847 19 D 4.3121 7.7283 120.2206 54.8904 41.2414 176.2437 20 Q 2.5200 7.1273 120.3838 56.7493 27.1768 173.8832 21 K 4.8210 6.2479 117.7598 53.4608 36.9632 177.9861 22 W 5.3991 8.9792 120.4239 56.8848 30.3669 176.0506 23 T 4.9634 9.2152 113.0054 60.0723 72.2532 172.7829 24 R 4.9046 8.5983 121.9589 55.6470 31.8780 175.1376 25 H 5.2856 9.4186 120.9486 53.9014 33.6563 172.2269 26 F 4.9121 9.0700 124.4627 57.7414 40.7611 174.3719 27 C 5.9432 8.5896 122.4498 57.2679 32.3386 172.7651 28 A 5.0822 8.2250 121.4161 50.7353 22.9265 175.2899 29 I 5.0344 8.4804 120.2940 59.5431 39.6140 175.3895 30 A 4.7489 8.4991 129.7105 51.4733 23.0449 175.1359 31 D 4.4623 8.5589 121.3803 55.8444 40.3832 174.6198 32 A 4.9007 8.7070 127.8370 52.5950 20.0515 175.1742 33 K 5.1172 8.6649 118.5926 56.0024 36.0968 175.3329 34 L 5.2430 9.0516 126.7318 53.3754 44.3701 175.0143 35 S 5.5603 9.2418 121.9164 56.6368 65.8402 173.1119 36 F 5.5514 8.6182 117.0352 55.4095 41.1300 174.9112 37 S 4.6460 8.7457 117.7016 57.3856 65.4066 173.0616 38 D 4.7211 8.5009 119.8111 53.4230 42.6338 175.0455 39 D 4.7692 8.7768 119.3059 54.8691 41.5959 177.0344 40 I 4.0581 8.7321 119.7673 62.1503 38.2160 176.7982 41 E 4.2186 8.8162 124.2003 59.3926 29.8587 178.7872 42 Q 4.2901 7.8901 116.7570 56.2912 27.7136 180.0955 43 T 3.8598 7.8945 117.1512 62.1017 68.0903 175.8925 *49 P 4.2324 0.0000 0.0000 66.8493 32.2976 179.3537 50 L 3.8035 7.2046 118.0494 52.8756 42.1724 179.4575 51 G 4.7400 8.2407 115.8200 43.6451 0.0000 175.5996 52 S 5.3331 8.2652 122.2174 57.2327 63.6599 175.1492 53 L 4.3635 7.8783 126.7135 54.9290 42.1659 176.9718 54 C 4.6801 7.4603 114.0152 58.4528 32.8387 174.6549 55 R 4.0593 7.8295 120.6350 58.3442 30.6324 177.1580 56 G 3.8444 6.9060 102.2503 45.8446 0.0000 172.6391 57 I 5.2867 8.3464 121.7556 59.3811 40.9868 174.5363 58 L 4.9030 9.2104 127.0241 53.0567 44.6730 175.3873 59 D 5.0407 8.8874 123.3456 52.9757 41.2995 176.6778 60 L 4.2898 9.0343 128.2057 57.7523 41.9736 179.7927 61 N 4.3173 8.4419 115.8063 56.0646 38.6361 175.8881 62 T 4.1701 8.3446 107.2762 62.1772 69.5705 173.5754 63 Y 5.1743 7.7814 119.4649 56.4577 41.1193 174.3692 64 N 5.2209 9.3247 116.5375 51.8047 43.4632 174.1568 65 V 4.9887 8.3925 113.9308 59.8638 33.5916 175.4084 66 V 4.6732 8.7629 125.5511 61.0844 34.3889 174.2549 67 K 5.0372 8.8898 126.0639 54.9418 34.6645 175.6809 68 A 4.5621 8.3755 126.9450 49.8425 19.8446 175.7046 69 P 4.1928 0.0000 0.0000 66.6800 31.5222 178.7710 70 Q 3.9669 7.9234 113.4440 57.1785 28.9471 176.9880 71 G 3.7193 9.3916 106.6515 45.5274 0.0000 172.2017 72 K 4.1706 8.3903 115.6451 56.9059 35.8127 175.7283 73 N 3.9300 9.6498 123.9133 55.2967 35.8520 175.1931 74 Q 3.5969 8.0221 109.6771 55.4205 26.6171 175.0147 75 K 4.3846 7.8383 118.0989 55.4908 34.1441 177.8311 76 S 3.6786 8.2030 119.4575 60.4009 63.1211 173.9679 77 F 5.0174 7.4651 119.2070 55.8003 41.3623 174.9069 78 V 5.1029 8.3831 116.4281 59.4291 36.3079 174.6581 79 F 5.6022 8.7475 117.1843 55.2579 41.7926 173.7956 80 I 4.9467 9.0439 120.2983 59.7032 40.9855 174.8381 81 L 5.0525 8.9633 127.8160 53.7225 42.2115 174.8812 82 E 5.0710 8.9928 123.0299 54.0252 31.7990 174.2883 83 P 4.7255 0.0000 0.0000 62.2262 32.6843 176.6990 84 K 4.3293 8.1273 123.8518 56.0181 31.3577 178.5928 *87 G 3.7386 8.3990 111.6669 44.9235 0.0000 173.7514 88 D 4.4695 9.1929 115.5909 57.6418 38.5443 169.6875 89 P 4.0787 0.0000 0.0000 56.7400 34.5537 174.3266 90 P 4.7538 0.0000 0.0000 62.5911 32.4033 175.9874 91 V 4.0154 8.2965 123.5495 61.3374 33.6704 174.1929 92 E 4.7239 8.3354 127.1401 54.7714 31.8721 175.0630 93 F 5.3383 8.3168 123.2293 56.0036 42.1622 174.7509 94 A 5.1092 8.7905 121.2480 51.0296 22.7570 175.2431 95 T 5.0099 8.6381 109.3908 60.1290 71.9638 174.3891 96 D 4.6310 9.1808 121.2284 57.0825 41.3323 177.0164 97 K 4.5437 7.9167 118.5884 54.6246 34.1275 178.0942 98 V 2.4782 7.5843 122.7755 64.5427 30.9836 178.4074 99 E 3.8916 7.9116 117.6513 59.1632 29.2199 178.8732 100 E 4.0011 7.9923 119.3895 59.2108 29.5554 178.7044 101 L 4.1332 8.1614 119.8492 58.6741 42.0445 178.7556 102 F 4.0497 8.1734 120.0152 61.2127 39.2860 176.9143 103 E 3.8655 8.3725 118.2152 59.1874 29.3111 179.0464 104 W 3.8213 8.1713 118.8849 60.1120 29.1658 177.7603 105 F 3.5752 8.3792 120.2482 61.4130 38.5552 176.7522 106 Q 3.7925 7.9418 116.7392 59.3559 28.4887 179.7614 107 S 3.9764 7.5934 114.1202 61.9362 63.2814 176.8082 108 I 3.7648 7.6204 122.1749 64.3066 36.7636 178.5501 109 R 3.9240 7.8221 122.0620 59.5437 29.5740 178.8732 110 E 4.2478 8.0089 113.9591 58.8122 29.3514 180.1647 111 I 4.7006 8.0019 120.2095 62.7873 40.8924 175.5861 112 T 4.1531 7.6864 114.1730 61.7164 68.8184 174.3824 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 7 K 8.31 4.30 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.97 4.06 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.00 9 Q 7.76 4.93 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 10 G 7.68 4.12 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 0.00 0.00 0.00 11 E 8.86 4.78 0.00 2.02 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 0.00 2.25 2.22 0.00 12 L 8.91 4.72 0.00 1.38 1.42 -0.34 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.97 5.14 0.00 2.91 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 14 M 9.47 5.25 0.00 1.56 1.62 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.92 0.00 15 W 8.39 4.37 0.00 2.15 2.57 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 16 D 7.66 4.37 0.00 2.64 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 0.00 0.00 0.00 0.00 17 S 8.14 3.74 0.00 3.90 3.83 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 18 I 6.86 3.92 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.80 0.00 0.00 19 D 7.73 4.31 0.00 2.47 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 20 Q 7.13 2.52 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 K 6.25 4.82 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.03 7.81 22 W 8.98 5.40 0.00 3.22 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 23 T 9.22 4.96 4.34 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 1.33 0.00 0.00 24 R 8.60 4.90 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.70 0.00 25 H 9.42 5.29 0.00 3.16 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.07 4.91 0.00 3.24 2.97 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 27 C 8.59 5.94 0.00 2.60 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 28 A 8.22 5.08 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 29 I 8.48 5.03 1.83 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 1.26 0.94 0.90 0.00 0.00 30 A 8.50 4.75 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 31 D 8.56 4.46 0.00 2.83 1.76 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 32 A 8.71 4.90 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 33 K 8.66 5.12 0.00 1.82 1.73 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 34 L 9.05 5.24 0.00 1.75 1.58 0.64 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.24 5.56 0.00 3.95 4.01 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 36 F 8.62 5.55 0.00 3.28 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 37 S 8.75 4.65 0.00 4.19 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 0.00 38 D 8.50 4.72 0.00 2.67 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 39 D 8.78 4.77 0.00 2.69 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 40 I 8.73 4.06 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 1.08 0.00 0.00 41 E 8.82 4.22 0.00 2.33 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 2.33 2.29 0.00 42 Q 7.89 4.29 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.59 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 43 T 7.89 3.86 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 *49 P 0.00 4.23 0.00 2.11 1.98 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 50 L 7.20 3.80 0.00 1.68 1.46 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.24 4.74 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 0.00 0.00 0.00 52 S 8.27 5.33 0.00 3.96 3.96 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 0.00 0.00 0.00 53 L 7.88 4.36 0.00 1.62 1.63 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.46 4.68 0.00 2.89 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 55 R 7.83 4.06 0.00 1.96 1.76 0.00 3.40 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.50 0.00 56 G 6.91 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 0.00 0.00 0.00 57 I 8.35 5.29 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.98 0.00 0.00 58 L 9.21 4.90 0.00 1.78 1.67 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.89 5.04 0.00 2.81 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 60 L 9.03 4.29 0.00 1.88 1.78 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.44 4.32 0.00 2.95 2.91 0.00 0.00 6.98 6.90 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 62 T 8.34 4.17 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 1.22 0.00 0.00 63 Y 7.78 5.17 0.00 2.88 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 64 N 9.32 5.22 0.00 2.81 2.70 0.00 0.00 7.27 7.37 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 65 V 8.39 4.99 1.78 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 0.70 0.00 0.00 0.69 0.00 0.00 66 V 8.76 4.67 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 1.13 0.00 0.00 1.13 0.00 0.00 67 K 8.89 5.04 0.00 1.69 1.63 0.00 1.62 0.00 0.00 0.86 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.52 7.81 68 A 8.38 4.56 1.28 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 0.00 0.00 69 P 0.00 4.19 0.00 2.05 2.14 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 70 Q 7.92 3.97 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 71 G 9.39 3.72 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 0.00 0.00 0.00 72 K 8.39 4.17 0.00 1.75 1.57 0.00 1.65 0.00 0.00 1.29 0.00 0.00 3.05 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.09 1.25 7.81 73 N 9.65 3.93 0.00 2.30 2.11 0.00 0.00 6.88 7.69 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 74 Q 8.02 3.60 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 75 K 7.84 4.38 0.00 1.37 1.09 0.00 1.01 0.00 0.00 1.22 0.00 0.00 2.52 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.20 3.68 0.00 2.87 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 77 F 7.47 5.02 0.00 3.14 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 78 V 8.38 5.10 2.30 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 0.83 0.00 0.00 0.99 0.00 0.00 79 F 8.75 5.60 0.00 3.39 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 80 I 9.04 4.95 1.97 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 1.24 0.92 0.95 0.00 0.00 81 L 8.96 5.05 0.00 1.65 1.21 1.21 0.44 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 82 E 8.99 5.07 0.00 2.13 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 2.30 2.35 0.00 83 P 0.00 4.73 0.00 2.00 1.68 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.49 0.00 84 K 8.13 4.33 0.00 1.49 1.62 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.22 7.81 *87 G 8.40 3.74 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 0.00 0.00 0.00 88 D 9.19 4.47 0.00 2.74 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 89 P 0.00 4.08 0.00 2.12 1.92 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 90 P 0.00 4.75 0.00 1.94 2.01 0.00 3.67 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 2.04 2.11 0.00 91 V 8.30 4.02 1.76 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 0.11 0.00 0.00 0.75 0.00 0.00 92 E 8.34 4.72 0.00 1.88 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 2.24 2.24 0.00 93 F 8.32 5.34 0.00 1.51 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 0.00 0.00 0.00 0.00 94 A 8.79 5.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 5.01 4.54 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 1.37 0.00 0.00 96 D 9.18 4.63 0.00 2.82 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 97 K 7.92 4.54 0.00 1.80 1.79 0.00 1.72 0.00 0.00 2.29 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 98 V 7.58 2.48 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 0.00 0.00 0.56 0.00 0.00 0.71 0.00 0.00 99 E 7.91 3.89 0.00 2.13 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 2.30 2.31 0.00 100 E 7.99 4.00 0.00 2.28 2.30 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 2.45 2.38 0.00 101 L 8.16 4.13 0.00 1.91 1.95 1.25 1.05 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 0.00 102 F 8.17 4.05 0.00 3.18 3.24 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 0.00 103 E 8.37 3.87 0.00 2.18 1.71 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 2.38 2.40 0.00 104 W 8.17 3.82 0.00 3.19 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 0.00 105 F 8.38 3.58 0.00 3.12 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 0.00 106 Q 7.94 3.79 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 1.72 2.24 0.00 107 S 7.59 3.98 0.00 3.72 3.75 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 0.00 108 I 7.62 3.76 1.59 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 1.41 1.08 0.85 0.00 0.00 109 R 7.82 3.92 0.00 1.38 1.71 0.00 3.00 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 110 E 8.01 4.25 0.00 2.09 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 2.26 2.22 0.00 111 I 8.00 4.70 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.91 0.00 0.00 112 T 7.69 4.15 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 1.30 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.