NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9125 8.3393 109.7365 45.2955 0.0000 173.2531 0 S 4.1552 8.5583 115.3786 58.7290 63.3192 171.9298 1 M 4.8749 8.2529 119.4541 53.9335 36.7427 175.7071 2 L 4.6391 8.1643 122.4002 53.6540 45.3211 175.7383 3 N 4.7133 8.4487 123.6110 52.2664 39.7422 172.7508 4 K 4.7267 8.3191 125.6415 54.6382 35.4304 174.9960 5 V 4.4403 8.8204 127.6111 61.3150 34.1466 174.0146 6 M 5.1367 8.5507 126.2768 53.5157 34.6680 174.9885 7 L 4.7302 8.5397 122.8520 52.8682 46.3752 175.5288 8 I 4.7224 7.9258 123.1817 60.1620 39.7844 175.0140 9 G 3.8155 7.8852 113.9477 46.1331 0.0000 170.6444 10 Y 5.3699 7.9150 116.7582 55.8599 41.2799 175.8101 11 L 4.6487 8.8809 124.1377 55.1591 42.3870 178.3542 12 G 4.0815 9.5120 110.6140 48.5913 0.0000 172.9474 13 D 4.9668 7.9079 117.5424 52.2995 45.2373 174.2622 14 D 4.5044 8.5876 119.3598 54.2925 41.1984 175.1574 15 P 4.6882 0.0000 0.0000 63.1429 32.0313 175.6224 16 E 4.7961 9.4004 123.5686 54.7376 32.7222 174.8635 17 S 5.1095 8.6732 118.3448 57.1597 65.2141 173.7070 18 K 4.7160 8.9161 130.4226 53.5835 35.1852 171.8181 19 T 4.7122 8.4603 121.5609 62.3708 69.4056 175.0537 20 M 4.4478 9.1194 127.3051 54.7019 33.0552 177.5686 21 T 3.9365 8.4831 116.4511 66.9382 68.5393 176.2736 22 S 4.1660 7.9494 114.2608 59.5243 63.2982 175.1894 23 G 3.8995 7.9300 108.8686 44.9429 0.0000 173.5296 24 A 4.3744 8.0926 124.2629 52.3401 20.0319 176.8317 25 E 4.9462 8.6091 117.4975 55.2456 31.5812 176.7611 26 V 4.4251 8.5596 123.9960 60.2158 34.6972 174.1354 27 V 4.8498 8.4476 128.2303 61.1838 33.5256 174.0047 28 N 5.4718 9.3039 125.6597 51.1659 40.3847 173.3323 29 F 5.2995 8.4841 117.7324 56.6513 42.1818 173.4716 30 R 5.4723 8.9319 119.3049 55.4454 32.5546 175.1022 31 M 5.6171 9.8505 119.0218 53.2726 35.5085 173.6627 32 A 4.7335 8.8398 123.1235 50.3723 21.4253 175.9451 33 T 4.7076 8.7252 112.5162 59.7096 72.0054 173.3190 34 F 5.2052 7.5595 119.2942 55.6383 41.3299 175.3344 35 E 3.9614 9.1352 120.5078 59.7168 29.8980 180.0666 *48 K 4.5048 7.9993 119.1021 53.8188 33.8604 177.4760 49 T 4.9403 7.6862 108.2839 59.6462 71.0928 173.2153 50 E 4.4685 9.3124 124.4597 55.0209 31.3280 174.9927 51 W 5.0063 8.7157 124.8007 55.8045 30.6601 175.3548 52 H 4.9967 9.7632 122.4842 53.9731 31.6930 173.0586 53 S 4.8487 8.6969 117.5472 57.1629 63.7742 172.5611 54 V 4.6248 8.6439 128.0970 60.9400 34.1794 174.4584 55 V 4.4205 8.3964 126.4742 60.9892 34.6356 174.1081 56 V 4.3509 8.8181 128.7747 61.5870 32.6466 175.5605 57 F 4.5149 8.9648 127.4827 58.7377 40.7737 176.0074 58 N 4.4522 8.7926 117.0139 52.5798 39.0606 173.0996 59 P 4.2623 0.0000 0.0000 66.2089 31.2112 177.7950 60 H 4.0208 8.1523 117.5176 59.1675 29.8715 177.1709 61 F 4.4424 8.5722 118.9901 59.9266 38.6431 177.7471 62 A 4.1407 8.3171 123.5832 55.8376 18.2162 180.5101 63 K 4.0519 8.0948 122.2257 59.8620 31.7313 181.2450 64 I 4.2235 7.7294 120.2825 64.2479 36.9048 178.3926 65 A 4.0041 8.2815 121.7065 55.3089 18.0800 179.7663 66 L 3.9310 7.7149 116.1443 58.0294 41.7378 179.4997 67 Q 3.9087 8.3644 117.6308 57.9992 28.6979 176.5802 68 Y 4.7368 8.0003 114.7650 57.5289 40.3626 175.7475 69 L 4.5040 7.9034 119.6453 53.6595 43.2869 175.0932 70 H 4.8698 8.4389 116.0683 53.7432 31.7414 172.6159 71 K 3.9559 8.4770 121.1059 58.4611 32.0451 176.6042 72 G 4.1730 9.1094 115.1361 45.2217 0.0000 173.9699 73 S 4.1997 8.0547 116.4770 58.9304 64.1458 173.3048 74 K 4.5525 8.5450 124.6647 55.2221 33.8256 175.5500 75 V 4.9890 8.6463 119.6816 59.7440 36.6547 173.4951 76 Y 5.0823 8.8599 123.3387 55.9616 41.4984 174.4855 77 I 4.7960 7.8015 126.4057 59.3893 41.4455 173.9964 78 E 4.8920 8.6705 126.2666 54.8397 32.6972 175.7342 79 G 4.4719 8.6689 112.0170 46.2705 0.0000 171.9070 80 K 5.1523 8.9237 122.8634 53.0542 35.3702 171.2733 81 L 4.6730 9.0100 126.9285 54.5625 42.8230 176.2176 82 Q 4.6709 9.1724 124.6923 54.4577 33.0335 174.0874 83 T 5.2577 8.7135 120.0233 61.7348 70.9404 173.7360 84 R 4.7674 8.9388 125.2810 54.3785 32.6947 176.6875 85 K 4.5044 8.6540 123.8223 55.1562 32.6237 178.5539 *86 W 4.8754 7.4220 117.2316 55.8480 29.6017 176.1624 *95 Y 4.7647 7.3951 118.4785 58.1980 39.3242 175.4231 96 T 4.7170 8.4611 118.1609 62.3976 72.8071 172.8535 97 T 5.1047 8.6961 123.1538 62.2423 70.1039 174.0046 98 E 4.9087 9.3680 125.4408 54.5131 34.1586 175.0746 99 I 4.5613 8.5044 123.4206 60.4373 38.6996 174.8897 100 V 4.6324 8.9598 128.3414 61.1406 33.9027 174.6150 101 L 4.9050 8.8135 129.0432 52.7242 42.6394 174.9657 102 P 5.1151 0.0000 0.0000 61.5253 32.7967 176.9433 103 Q 3.8066 8.6575 118.2335 58.9675 28.6645 177.2546 104 Y 4.8432 7.8558 111.3660 57.3999 38.6978 174.5521 105 K 4.6087 8.0549 118.8797 55.3193 36.3814 176.0993 106 G 4.0924 9.6784 105.0456 45.5692 0.0000 172.3191 107 E 4.1237 8.5615 116.6810 54.2885 34.1461 175.0565 108 L 4.7429 6.3193 124.2475 53.9953 45.1569 174.7327 109 H 4.9204 9.1058 122.9021 53.9533 33.2129 172.3141 110 L 4.4131 8.6864 125.6218 54.8250 42.4556 175.9407 111 L 4.5432 8.7144 125.9495 53.5200 44.7883 176.5230 112 D 4.6680 8.7835 117.1566 55.1372 38.4338 174.1820 113 A 4.1730 7.4259 127.6745 52.5766 18.2557 178.1900 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 G 8.34 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 0.00 0.00 0.00 0 S 8.56 4.16 0.00 4.07 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 1 M 8.25 4.87 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 L 8.16 4.64 0.00 1.52 1.47 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.45 4.71 0.00 2.67 2.68 0.00 0.00 6.74 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.32 4.73 0.00 1.72 1.61 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.48 7.81 5 V 8.82 4.44 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 0.84 0.00 0.00 0.91 0.00 0.00 6 M 8.55 5.14 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 7 L 8.54 4.73 0.00 1.35 1.31 0.71 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.93 4.72 1.81 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 1.46 0.83 0.79 0.00 0.00 9 G 7.89 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 10 Y 7.91 5.37 0.00 2.99 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 11 L 8.88 4.65 0.00 1.72 1.76 0.51 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.51 4.08 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 13 D 7.91 4.97 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.50 0.00 2.68 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 15 P 0.00 4.69 0.00 1.97 2.11 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.89 0.00 16 E 9.40 4.80 0.00 1.89 1.84 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 2.44 2.41 0.00 17 S 8.67 5.11 0.00 3.83 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 18 K 8.92 4.72 0.00 1.44 1.61 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.25 7.81 19 T 8.46 4.71 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 20 M 9.12 4.45 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.75 0.00 21 T 8.48 3.94 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 1.22 0.00 0.00 22 S 7.95 4.17 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 0.00 0.00 24 A 8.09 4.37 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 25 E 8.61 4.95 0.00 1.76 1.74 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 2.17 1.86 0.00 26 V 8.56 4.43 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 0.36 0.00 0.00 1.07 0.00 0.00 27 V 8.45 4.85 2.12 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 1.14 0.00 0.00 1.02 0.00 0.00 28 N 9.30 5.47 0.00 2.67 2.75 0.00 0.00 6.12 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 29 F 8.48 5.30 0.00 3.18 3.16 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 30 R 8.93 5.47 0.00 1.50 1.80 0.00 3.19 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 31 M 9.85 5.62 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 32 A 8.84 4.73 0.28 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 33 T 8.73 4.71 4.09 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 0.00 0.00 0.00 1.13 0.00 0.00 34 F 7.56 5.21 0.00 3.09 3.03 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 35 E 9.14 3.96 0.00 2.01 1.91 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 2.23 1.88 0.00 *48 K 8.00 4.50 0.00 1.79 1.79 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 49 T 7.69 4.94 4.15 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 1.02 0.00 0.00 50 E 9.31 4.47 0.00 1.97 1.68 0.00 0.00 0.00 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 2.43 0.00 51 W 8.72 5.01 0.00 3.23 3.21 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 52 H 9.76 5.00 0.00 3.03 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.70 4.85 0.00 3.93 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 54 V 8.64 4.62 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 0.50 0.00 0.00 0.78 0.00 0.00 55 V 8.40 4.42 1.91 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 0.30 0.00 0.00 0.84 0.00 0.00 56 V 8.82 4.35 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 1.05 0.00 0.00 0.88 0.00 0.00 57 F 8.96 4.51 0.00 3.09 2.98 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 58 N 8.79 4.45 0.00 3.21 3.01 0.00 0.00 7.43 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 59 P 0.00 4.26 0.00 2.29 2.29 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 60 H 8.15 4.02 0.00 3.10 3.25 0.00 5.86 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 61 F 8.57 4.44 0.00 3.15 2.98 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 62 A 8.32 4.14 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 63 K 8.09 4.05 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 64 I 7.73 4.22 2.17 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 1.62 0.59 1.07 0.00 0.00 65 A 8.28 4.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.71 3.93 0.00 1.76 1.72 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.36 3.91 0.00 1.48 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 68 Y 8.00 4.74 0.00 3.06 2.94 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 69 L 7.90 4.50 0.00 1.52 1.32 0.49 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.44 4.87 0.00 3.41 3.38 0.00 5.48 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.48 3.96 0.00 1.82 1.85 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.55 1.56 7.81 72 G 9.11 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 0.00 0.00 0.00 73 S 8.05 4.20 0.00 3.70 3.66 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 74 K 8.55 4.55 0.00 1.59 1.51 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.60 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.09 0.42 7.81 75 V 8.65 4.99 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 0.50 0.00 0.00 0.92 0.00 0.00 76 Y 8.86 5.08 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.80 1.64 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 1.14 0.91 0.74 0.00 0.00 78 E 8.67 4.89 0.00 1.85 1.75 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 2.15 2.08 0.00 79 G 8.67 4.47 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 80 K 8.92 5.15 0.00 1.37 1.64 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.21 7.81 81 L 9.01 4.67 0.00 1.82 1.61 0.92 0.87 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 82 Q 9.17 4.67 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 83 T 8.71 5.26 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 1.34 0.00 0.00 84 R 8.94 4.77 0.00 1.90 2.05 0.00 2.80 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 85 K 8.65 4.50 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *86 W 7.42 4.88 0.00 2.45 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 0.00 0.00 0.00 *95 Y 7.40 4.76 0.00 3.00 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 96 T 8.46 4.72 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 1.23 0.00 0.00 97 T 8.70 5.10 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 1.23 0.00 0.00 98 E 9.37 4.91 0.00 1.84 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 2.18 2.25 0.00 99 I 8.50 4.56 1.78 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 1.04 0.47 0.82 0.00 0.00 100 V 8.96 4.63 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 1.28 0.00 0.00 1.08 0.00 0.00 101 L 8.81 4.91 0.00 1.70 1.71 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 5.12 0.00 2.34 2.23 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 103 Q 8.66 3.81 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.91 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 104 Y 7.86 4.84 0.00 2.98 2.88 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 0.00 105 K 8.05 4.61 0.00 1.77 1.78 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 106 G 9.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.56 4.12 0.00 1.79 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 2.28 2.62 0.00 108 L 6.32 4.74 0.00 1.20 0.90 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 H 9.11 4.92 0.00 3.19 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.69 4.41 0.00 1.61 1.52 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.71 4.54 0.00 1.55 1.49 0.87 0.79 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 0.00 112 D 8.78 4.67 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.43 4.17 1.16 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.