NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3571 8.1749 115.2515 62.1046 67.7834 173.4314 2 E 4.6636 8.6227 130.3655 52.7698 29.8948 175.7885 3 F 4.8560 8.4913 120.1820 57.1088 43.9438 172.6863 4 K 4.1945 7.6929 126.9948 54.0316 34.9029 176.0306 5 A 3.9323 8.1568 125.5998 51.6025 18.8896 177.4685 6 G 4.1645 7.9122 122.3260 46.5162 0.0000 173.8220 7 S 4.8249 9.9300 119.5465 56.4471 66.1627 174.8707 8 A 4.3714 8.4594 124.6055 53.8037 18.1536 179.4756 9 K 4.0237 7.9067 117.9333 58.4720 32.4795 178.4128 10 K 3.9076 8.0227 119.8303 59.2068 32.1757 179.1368 11 G 3.8903 8.2702 107.2127 46.7851 0.0000 175.5765 12 A 2.5800 7.3776 122.8812 54.9779 18.3144 179.8830 13 T 3.8350 7.3017 107.8899 64.6575 68.8764 176.6716 14 L 3.9151 8.1389 123.4108 57.6794 41.9358 178.8956 15 F 3.9421 8.3023 120.7013 61.1134 39.2179 176.9836 16 K 4.0377 8.0950 117.3596 60.1945 32.0338 178.9560 17 T 4.0917 8.0532 108.3922 63.8449 68.9676 175.7924 18 R 4.6582 7.6289 116.6777 55.7470 31.7679 175.7049 19 C 4.2302 7.1059 114.5357 60.9471 31.2355 175.6421 20 L 3.9757 7.5504 121.3573 57.7018 41.5520 178.9548 21 Q 4.5718 7.7560 114.4808 55.9864 28.2317 175.3650 22 C 4.7189 8.0449 118.7387 60.1758 35.9541 173.8296 23 H 5.0222 8.0981 116.5307 53.7843 31.5079 172.7010 24 T 4.7805 8.3515 111.6418 60.1763 70.8428 175.1221 25 V 3.9273 8.4277 118.0786 62.4891 32.4822 176.4876 26 E 4.2284 7.9085 118.3578 55.2128 30.0487 176.3064 27 K 3.6064 8.1813 121.7470 57.8911 33.5070 176.4369 28 G 4.1578 8.7355 107.3813 44.0975 0.0000 176.5219 29 G 4.5796 8.1636 107.6520 43.1174 0.0000 172.7619 30 P 4.5398 0.0000 0.0000 61.7094 29.8510 174.5904 31 H 4.5015 8.0068 122.1142 56.6266 30.5881 175.1086 32 K 4.6652 8.0616 123.0180 56.2395 32.3455 178.6989 33 V 3.7237 8.7856 125.1489 65.8901 31.7289 175.9537 34 G 3.9985 7.4653 107.8214 42.2428 0.0000 170.6483 35 P 4.3753 0.0000 0.0000 61.5344 32.1749 176.1481 36 N 4.5693 8.6177 117.8800 53.3551 37.8634 175.4062 37 L 4.6687 8.1665 121.7416 54.7702 42.1761 177.1906 38 H 4.3437 8.2417 120.0058 58.1988 29.1224 174.2319 39 G 4.0017 8.2174 116.9792 45.7650 0.0000 173.3899 40 I 3.8371 7.7352 121.7625 62.7006 38.4077 175.5047 41 F 4.7669 7.9433 119.6313 58.3338 39.1819 175.2307 42 G 4.0517 10.0704 116.3517 45.1874 0.0000 173.5394 43 R 4.3292 7.4333 118.8505 56.0947 31.7854 175.5097 44 H 5.0642 8.5215 120.0582 54.6789 30.3065 175.2004 45 S 4.4259 8.1401 114.5375 59.5771 63.7106 175.3502 46 G 2.1728 8.5696 116.0421 45.7663 0.0000 173.0698 47 Q 4.1951 7.5938 117.4786 56.8612 30.0845 176.2216 48 A 4.0560 8.2667 122.0303 52.2200 18.3131 176.6069 49 E 4.2992 8.6983 120.8389 58.1069 30.3257 177.5561 50 G 4.0488 9.2137 109.2135 45.2725 0.0000 172.4614 51 Y 4.3264 7.0566 120.4656 55.6705 40.9585 176.0094 52 S 4.5062 6.6804 122.7861 56.5996 62.0990 173.5772 53 Y 4.5553 8.1214 121.4515 57.6956 38.9491 176.3314 54 T 4.2856 8.4588 111.9124 61.0971 70.1940 174.9321 55 D 4.4524 8.8736 121.1024 57.6501 40.4519 178.4458 56 A 4.0107 7.5808 121.5002 55.0805 18.1707 179.1404 57 N 4.3193 7.6585 112.9442 56.9152 39.5044 176.8939 58 I 3.9531 7.5860 121.9186 63.8600 37.0813 178.0872 59 K 3.7881 7.7614 117.9055 59.7694 32.0054 178.9076 60 K 3.8660 7.6341 117.1528 56.8809 33.0385 176.0099 61 N 3.8296 7.6595 116.7991 54.1919 38.0413 174.3457 62 V 3.4895 7.8471 118.9985 62.4166 33.0968 175.3130 63 L 4.1893 8.1063 130.5810 54.1474 42.7346 176.0153 64 W 5.0389 8.8716 128.1154 56.7582 30.0578 175.2736 65 D 5.1651 9.1600 122.9794 51.0531 42.4543 175.8653 66 E 3.6331 8.9425 118.8913 60.0767 28.9418 179.5977 67 N 4.5242 8.0793 115.2750 55.7212 38.7606 177.0119 68 N 4.6320 8.0116 117.8135 55.9757 38.9339 177.0409 69 M 3.9383 8.6041 120.0793 58.8203 30.8260 178.2568 70 S 4.2085 8.2122 112.5934 60.5121 62.3452 174.9140 71 E 4.2933 7.3726 120.5460 57.4778 30.0526 176.9734 72 Y 3.9845 7.7461 119.8074 60.5129 39.0822 177.1510 73 L 4.0153 8.0518 119.1217 57.1925 41.3793 179.5741 74 T 4.2838 7.1483 114.3074 65.6987 69.6403 174.4772 75 N 4.9040 8.0381 117.5757 52.0312 40.8371 172.9468 76 P 3.5298 0.0000 0.0000 62.3540 31.8723 178.2438 *78 K 4.3708 8.0754 121.2539 56.6886 33.9062 176.3698 79 Y 4.3412 8.4258 119.1389 60.1465 38.9795 176.1191 80 I 4.4905 7.7356 121.6977 58.3336 38.4407 173.9973 81 P 4.3879 0.0000 0.0000 64.3393 31.1627 177.4335 82 G 4.1525 7.8234 106.2172 45.4290 0.0000 172.5146 83 T 4.2084 8.1338 115.7534 61.5380 67.7418 175.2558 84 K 4.3414 8.7605 126.2435 57.1815 31.9721 176.4812 85 M 4.1696 7.7832 120.3855 55.1096 31.6635 176.4330 86 A 4.3976 8.4243 130.8318 50.9557 17.3913 174.8961 87 F 4.6775 8.0538 120.8121 57.3753 42.6691 174.5811 88 G 3.3797 8.0416 117.7235 48.3686 0.0000 173.2496 89 G 3.9030 6.5712 104.2009 43.9307 0.0000 173.1776 90 L 4.4131 8.3550 119.9957 53.2120 41.4166 177.5074 91 K 4.1080 8.5732 124.6461 58.7734 32.4861 178.1902 92 K 4.2728 7.8654 119.1101 55.3899 33.1008 176.7773 93 E 4.0048 9.1673 125.1928 59.4657 29.5003 178.7927 94 K 3.8711 8.1876 118.0808 60.5822 32.4078 178.4806 95 D 4.4493 7.9732 119.6842 56.9280 40.6039 178.8447 96 R 4.1652 8.0674 118.8113 59.1028 30.0883 178.2600 97 N 4.5442 8.2103 116.2654 56.4025 38.6748 176.6580 98 D 4.5640 8.3431 120.1101 57.6064 40.9906 179.0224 99 L 4.0771 7.9882 120.2374 58.4085 42.0913 179.0889 100 I 3.9411 8.4534 120.0722 64.7840 36.8503 178.6760 101 T 4.0899 8.5778 116.2659 66.4880 67.9534 175.6961 102 Y 4.2790 8.1265 121.9114 60.2815 38.9346 177.1122 103 L 3.6719 7.7147 120.9198 57.1567 42.2632 178.7956 104 K 3.8888 7.8031 119.4983 58.9961 32.1516 177.5429 105 K 4.2079 7.3265 115.4047 56.6521 31.9531 175.7991 106 A 4.2624 7.1456 118.1196 54.5131 20.4575 177.9715 107 C 4.3775 7.6954 107.7044 58.6699 29.7135 173.7851 108 E 4.0910 7.4838 125.3860 56.9511 29.0746 176.2032 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 T 8.17 4.36 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 2 E 8.62 4.66 0.00 2.02 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 2.27 2.36 0.00 3 F 8.49 4.86 0.00 2.92 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 4 K 7.69 4.19 0.00 1.48 1.49 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.40 7.81 5 A 8.16 3.93 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 6 G 7.91 4.16 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 0.00 7 S 9.93 4.82 0.00 4.00 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 8 A 8.46 4.37 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 9 K 7.91 4.02 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 10 K 8.02 3.91 0.00 1.94 1.79 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 11 G 8.27 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 12 A 7.38 2.58 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 13 T 7.30 3.83 4.22 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 1.23 0.00 0.00 14 L 8.14 3.92 0.00 2.00 1.75 0.99 1.10 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 15 F 8.30 3.94 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 16 K 8.10 4.04 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.73 7.81 17 T 8.05 4.09 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 1.23 0.00 0.00 18 R 7.63 4.66 0.00 1.92 2.22 0.00 3.12 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 19 C 7.11 4.23 0.00 1.23 2.07 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 20 L 7.55 3.98 0.00 1.69 1.77 1.12 0.19 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 21 Q 7.76 4.57 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 22 C 8.04 4.72 0.00 2.96 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 23 H 8.10 5.02 0.00 3.08 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.35 4.78 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 1.26 0.00 0.00 25 V 8.43 3.93 1.86 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 0.27 0.00 0.00 0.81 0.00 0.00 26 E 7.91 4.23 0.00 1.93 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 2.32 2.37 0.00 27 K 8.18 3.61 0.00 1.33 1.57 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.46 7.81 28 G 8.74 4.16 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 0.00 29 G 8.16 4.58 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 0.00 0.00 0.00 30 P 0.00 4.54 0.00 2.19 2.09 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 31 H 8.01 4.50 0.00 3.30 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.06 4.67 0.00 1.88 1.27 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.33 7.81 33 V 8.79 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 34 G 7.47 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 0.00 0.00 0.00 35 P 0.00 4.38 0.00 1.91 0.49 0.00 3.48 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 36 N 8.62 4.57 0.00 2.98 2.91 0.00 0.00 6.02 6.67 0.00 0.00 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 L 8.17 4.67 0.00 1.60 1.56 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.24 4.34 0.00 3.21 3.23 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.22 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 0.00 0.00 0.00 40 I 7.74 3.84 1.69 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 0.92 0.58 0.44 0.00 0.00 41 F 7.94 4.77 0.00 3.07 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 42 G 10.07 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 0.00 0.00 0.00 43 R 7.43 4.33 0.00 2.12 2.00 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 44 H 8.52 5.06 0.00 3.03 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.14 4.43 0.00 4.20 3.51 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 46 G 8.57 2.17 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 47 Q 7.59 4.20 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 48 A 8.27 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.30 0.00 2.16 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 0.00 2.35 2.39 0.00 50 G 9.21 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 0.00 0.00 0.00 51 Y 7.06 4.33 0.00 2.35 2.59 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 52 S 6.68 4.51 0.00 3.52 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 53 Y 8.12 4.56 0.00 3.05 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 54 T 8.46 4.29 4.32 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 1.30 0.00 0.00 55 D 8.87 4.45 0.00 2.83 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 A 7.58 4.01 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 57 N 7.66 4.32 0.00 2.98 2.96 0.00 0.00 7.31 7.82 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 58 I 7.59 3.95 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 0.87 0.00 0.00 59 K 7.76 3.79 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.49 1.81 7.81 60 K 7.63 3.87 0.00 1.65 1.68 0.00 1.69 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.10 1.23 7.81 61 N 7.66 3.83 0.00 2.69 2.61 0.00 0.00 7.15 7.53 0.00 0.00 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 V 7.85 3.49 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 0.00 0.00 -0.01 0.00 0.00 0.67 0.00 0.00 63 L 8.11 4.19 0.00 1.54 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.87 5.04 0.00 3.51 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 65 D 9.16 5.17 0.00 2.71 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 66 E 8.94 3.63 0.00 1.61 1.12 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 1.47 1.47 0.00 67 N 8.08 4.52 0.00 2.98 2.91 0.00 0.00 7.13 6.92 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 68 N 8.01 4.63 0.00 3.25 3.16 0.00 0.00 6.49 7.54 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 69 M 8.60 3.94 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 70 S 8.21 4.21 0.00 4.20 3.93 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 71 E 7.37 4.29 0.00 2.22 1.86 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 2.37 2.45 0.00 72 Y 7.75 3.98 0.00 2.71 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 73 L 8.05 4.02 0.00 1.80 1.74 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.15 4.28 4.42 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 1.24 0.00 0.00 75 N 8.04 4.90 0.00 2.77 2.70 0.00 0.00 7.20 7.24 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 76 P 0.00 3.53 0.00 2.14 1.42 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.62 0.00 *78 K 8.08 4.37 0.00 1.78 2.09 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.65 7.81 79 Y 8.43 4.34 0.00 3.29 3.41 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 80 I 7.74 4.49 2.06 0.00 0.00 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 1.46 1.23 0.96 0.00 0.00 81 P 0.00 4.39 0.00 2.20 2.23 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 82 G 7.82 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 0.00 0.00 0.00 0.00 83 T 8.13 4.21 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 84 K 8.76 4.34 0.00 1.88 1.91 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.47 7.81 85 M 7.78 4.17 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 86 A 8.42 4.40 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.68 0.00 2.88 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 88 G 8.04 3.38 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 0.00 89 G 6.57 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 90 L 8.36 4.41 0.00 1.73 1.70 1.00 1.06 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 91 K 8.57 4.11 0.00 1.73 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 92 K 7.87 4.27 0.00 1.88 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.42 7.81 93 E 9.17 4.00 0.00 2.02 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 2.43 2.36 0.00 94 K 8.19 3.87 0.00 2.05 2.08 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.62 7.81 95 D 7.97 4.45 0.00 2.92 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 96 R 8.07 4.17 0.00 2.13 2.09 0.00 3.29 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 97 N 8.21 4.54 0.00 2.92 2.81 0.00 0.00 7.15 8.08 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 98 D 8.34 4.56 0.00 2.75 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 99 L 7.99 4.08 0.00 2.12 1.94 1.00 1.14 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 0.00 100 I 8.45 3.94 2.29 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 1.64 0.78 0.79 0.00 0.00 101 T 8.58 4.09 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 1.29 0.00 0.00 102 Y 8.13 4.28 0.00 3.10 3.26 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 0.00 103 L 7.71 3.67 0.00 1.85 2.01 0.72 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.80 3.89 0.00 1.69 1.69 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.29 7.81 105 K 7.33 4.21 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.58 7.81 106 A 7.15 4.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.70 4.38 0.00 3.23 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 0.00 108 E 7.48 4.09 0.00 1.96 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 2.26 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.