NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4314 8.3344 115.4143 57.4707 64.6213 172.4158 2 L 3.6299 8.3055 121.9444 54.7039 41.7831 174.0422 3 S 4.7704 9.4129 122.9298 56.6106 63.4571 172.3333 4 I 4.6134 8.2659 127.6601 60.6393 40.8195 175.8610 5 G 4.1618 10.0413 109.4333 44.2535 0.0000 171.5485 6 R 4.8042 9.0468 115.5317 55.5731 33.3653 175.7087 7 T 4.5457 8.5578 107.3497 62.4661 70.2309 173.8888 8 C 5.3219 7.5681 122.4150 58.0189 34.7059 172.8731 9 W 5.1807 9.6809 125.1010 54.8403 33.2258 173.9556 10 A 5.1887 8.8574 123.9663 50.2421 21.6417 175.5629 11 I 4.4214 8.7635 122.9898 59.3697 38.8645 176.6727 12 A 4.0361 8.8213 130.6751 53.5809 18.6735 176.5049 13 E 4.5813 7.3990 115.9375 54.3357 32.7791 175.2936 14 G 3.0818 7.6289 108.5777 45.1338 0.0000 171.7088 15 Y 5.0875 7.7077 121.1565 57.4897 42.1630 172.6717 16 I 4.4011 7.9995 128.2166 59.0953 38.6688 174.6368 17 P 3.9535 0.0000 0.0000 65.7620 31.5782 176.3245 *30 H 4.4148 7.7238 115.5071 54.4442 29.7547 173.5939 31 E 4.4100 8.6063 121.9580 57.0522 29.4085 175.1359 32 T 4.7071 8.2832 120.4762 61.4607 72.7610 172.9751 33 V 4.3277 8.2766 127.0673 61.9644 33.0051 174.3054 34 C 4.8415 8.7477 126.4757 58.5824 30.1024 172.8771 35 I 4.8823 8.6406 123.5663 59.2884 40.7049 173.9877 36 L 4.8304 8.9722 128.7181 53.1731 44.9908 174.4810 37 N 5.1237 9.3179 125.4037 52.0601 40.1418 174.4724 38 A 4.3195 8.7826 128.5894 52.5411 19.5568 177.2441 39 G 4.0024 7.6591 105.6323 44.1232 0.0000 173.9061 40 D 4.7521 8.4377 116.9002 54.2919 41.2365 176.1704 41 E 4.7534 7.7110 120.2531 53.8403 32.1188 175.1319 42 D 4.8010 9.0027 125.6995 55.1900 41.9900 175.6462 43 A 4.6769 9.0881 123.8351 50.7513 21.0222 175.6412 44 H 4.8529 8.9830 120.7814 54.8194 29.9266 174.1833 45 V 4.6345 8.8401 124.6828 61.2909 33.8827 174.4061 46 E 5.2989 9.1664 125.8901 54.7545 33.0969 174.6043 47 I 5.0522 9.1485 125.7608 60.0259 39.8564 174.7427 48 T 5.1676 9.1540 123.1813 61.8680 71.6372 173.0751 49 I 4.8751 8.7484 126.6082 59.8095 39.7760 174.2594 50 Y 4.7437 9.1558 124.6166 56.4390 40.8259 174.3469 51 Y 5.3580 8.4755 118.8209 56.2109 41.8242 175.7199 52 S 4.5315 9.0983 113.8700 59.9686 63.7171 174.9877 53 D 4.8150 7.9742 117.7200 53.0249 40.6790 174.4932 54 K 4.5565 7.7738 116.5557 55.8522 34.9639 175.1421 55 E 4.1482 8.6373 119.8723 55.7672 29.9450 175.5070 56 P 4.4693 0.0000 0.0000 62.6986 32.1569 175.6554 57 V 4.3387 9.7365 119.0900 59.7624 33.7495 176.1254 58 G 3.7637 7.9274 113.1582 44.5802 0.0000 169.3286 59 P 4.7986 0.0000 0.0000 62.8191 32.5895 175.5526 60 Y 4.6395 9.2562 121.2817 56.7637 39.0888 174.5993 61 R 5.2892 8.5764 123.7532 54.7809 32.2995 175.5925 62 L 4.5890 8.6690 121.4012 55.1979 44.2654 173.8526 63 T 4.9900 8.4147 116.6927 61.8604 71.0745 174.0799 64 V 4.2658 8.5936 126.3083 60.3672 33.3565 173.3268 65 P 4.9165 0.0000 0.0000 61.9942 32.3093 176.2694 66 A 4.0522 8.7137 123.3081 53.3837 18.7465 178.0659 67 R 3.8970 8.4067 121.2863 57.3363 28.2110 176.0996 68 R 4.7924 7.9002 114.1506 54.9622 35.2061 174.6660 69 T 5.0375 8.3781 114.3670 60.5635 70.4310 173.1811 70 K 4.5790 9.0133 126.1145 55.3478 36.1335 174.2581 71 H 5.1222 8.8745 124.4674 54.3369 30.3759 174.1564 72 V 4.1795 8.7812 124.8631 61.0603 33.4103 175.0258 73 R 4.6001 8.3586 127.4528 55.3035 31.2770 177.3451 74 F 4.1203 9.0517 122.5818 60.6944 39.1643 177.1207 75 N 4.2692 8.4309 117.4228 56.5944 38.5903 174.8447 76 D 4.6496 7.7933 115.4142 54.6088 41.4991 176.4798 77 L 4.3765 7.8743 121.7868 54.5250 42.0930 177.2400 78 N 5.0657 8.8387 116.6188 52.3925 40.4305 173.4785 79 D 4.7340 8.2386 119.4661 51.8402 42.2869 174.1958 80 P 4.3563 0.0000 0.0000 63.7881 32.1658 175.8430 81 A 4.4992 7.1435 118.8395 50.5206 21.6260 174.2437 82 P 4.8482 0.0000 0.0000 62.1081 32.0760 176.1835 83 I 4.1804 8.0586 121.7589 59.3531 37.7453 174.5183 84 P 4.3387 0.0000 0.0000 63.3574 31.5103 175.7933 85 H 4.5475 8.5934 117.5046 55.2580 29.9040 173.7980 86 D 4.1437 9.0986 116.7029 54.3115 39.6880 173.1601 87 T 4.8815 7.3356 111.7771 61.2678 72.4627 173.3266 88 D 5.0787 9.1780 126.8271 54.6021 41.7361 175.4128 89 F 5.0915 8.5289 117.1268 55.9293 41.6705 172.5824 90 A 4.9046 9.0783 119.5546 50.3893 23.0117 175.1399 91 S 5.3886 9.0795 112.5797 56.7805 67.0689 173.0914 92 V 4.8995 9.2319 121.7528 61.3033 34.2963 174.2405 93 I 5.0386 9.4468 128.4769 59.8674 39.7363 174.5662 94 Q 5.3558 9.3122 126.3726 54.3326 32.2020 174.7629 95 S 5.2958 9.2594 115.6952 56.0033 65.4401 173.7863 96 N 4.6409 9.0290 121.5655 54.9733 37.8289 175.3619 97 V 4.5835 7.4895 110.6712 58.1603 35.2543 173.4277 98 P 4.7141 0.0000 0.0000 63.2235 31.7796 175.7992 99 I 4.9045 9.0172 116.0920 59.4448 41.9881 173.7120 100 V 4.4674 8.6284 123.0489 61.0608 33.6682 174.5093 101 V 4.4315 5.8182 126.4875 60.8410 34.1191 174.2109 102 Q 4.4721 8.9561 127.8937 54.5444 32.9121 172.6918 103 H 5.3538 8.8096 124.5430 54.7519 32.1335 173.8652 104 T 4.1464 8.1626 121.1116 63.8697 69.2174 173.6886 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 S 8.33 4.43 0.00 4.00 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 2 L 8.31 3.63 0.00 1.83 1.77 0.93 0.42 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 3 S 9.41 4.77 0.00 3.86 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 4 I 8.27 4.61 1.92 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 1.38 0.82 0.97 0.00 0.00 5 G 10.04 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 6 R 9.05 4.80 0.00 1.63 1.84 0.00 2.27 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.55 0.00 7 T 8.56 4.55 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 8 C 7.57 5.32 0.00 2.95 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 9 W 9.68 5.18 0.00 3.28 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 10 A 8.86 5.19 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 11 I 8.76 4.42 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.78 0.00 0.00 12 A 8.82 4.04 1.23 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 0.00 0.00 13 E 7.40 4.58 0.00 1.83 1.70 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 2.10 2.25 0.00 14 G 7.63 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 15 Y 7.71 5.09 0.00 2.93 2.67 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 0.00 0.00 0.00 0.00 16 I 8.00 4.40 1.62 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 1.48 0.95 0.66 0.00 0.00 17 P 0.00 3.95 0.00 2.24 2.36 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 *30 H 7.72 4.41 0.00 3.20 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.61 4.41 0.00 2.10 2.43 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 2.54 2.57 0.00 32 T 8.28 4.71 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 1.18 0.00 0.00 33 V 8.28 4.33 1.80 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 0.82 0.00 0.00 0.35 0.00 0.00 34 C 8.75 4.84 0.00 2.71 2.55 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 35 I 8.64 4.88 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.72 0.83 0.00 0.00 36 L 8.97 4.83 0.00 1.64 1.42 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.32 5.12 0.00 2.78 2.78 0.00 0.00 6.72 8.41 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 38 A 8.78 4.32 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 39 G 7.66 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 D 8.44 4.75 0.00 2.68 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 41 E 7.71 4.75 0.00 1.93 1.79 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 2.17 2.29 0.00 42 D 9.00 4.80 0.00 2.69 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 43 A 9.09 4.68 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 44 H 8.98 4.85 0.00 3.18 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.84 4.63 2.24 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 0.99 0.00 0.00 0.96 0.00 0.00 46 E 9.17 5.30 0.00 1.98 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 2.26 2.31 0.00 47 I 9.15 5.05 1.97 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 0.82 1.01 0.00 0.00 48 T 9.15 5.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 49 I 8.75 4.88 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.17 0.00 0.00 50 Y 9.16 4.74 0.00 2.88 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 51 Y 8.48 5.36 0.00 3.04 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 52 S 9.10 4.53 0.00 4.04 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 0.00 53 D 7.97 4.82 0.00 2.75 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 54 K 7.77 4.56 0.00 1.83 1.75 0.00 1.12 0.00 0.00 1.53 0.00 0.00 2.55 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.45 7.81 55 E 8.64 4.15 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 2.34 2.27 0.00 56 P 0.00 4.47 0.00 1.62 0.81 0.00 3.70 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 1.84 1.76 0.00 57 V 9.74 4.34 2.31 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 1.04 0.00 0.00 1.08 0.00 0.00 58 G 7.93 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 0.00 0.00 0.00 59 P 0.00 4.80 0.00 2.13 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 60 Y 9.26 4.64 0.00 2.93 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 61 R 8.58 5.29 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 62 L 8.67 4.59 0.00 1.73 1.72 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.41 4.99 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 1.17 0.00 0.00 64 V 8.59 4.27 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 0.91 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.92 0.00 1.97 1.97 0.00 3.75 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 2.02 2.09 0.00 66 A 8.71 4.05 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 67 R 8.41 3.90 0.00 1.95 2.05 0.00 3.11 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 68 R 7.90 4.79 0.00 1.84 1.74 0.00 3.23 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 69 T 8.38 5.04 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 1.18 0.00 0.00 70 K 9.01 4.58 0.00 1.78 1.54 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.39 7.81 71 H 8.87 5.12 0.00 2.97 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.78 4.18 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 0.85 0.00 0.00 0.84 0.00 0.00 73 R 8.36 4.60 0.00 2.08 1.85 0.00 3.20 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 74 F 9.05 4.12 0.00 3.20 3.01 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 75 N 8.43 4.27 0.00 2.71 2.92 0.00 0.00 6.96 8.47 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 76 D 7.79 4.65 0.00 2.85 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 77 L 7.87 4.38 0.00 1.92 1.41 0.87 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.84 5.07 0.00 2.81 2.92 0.00 0.00 5.93 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 79 D 8.24 4.73 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.04 1.95 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 81 A 7.14 4.50 1.21 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 82 P 0.00 4.85 0.00 2.08 2.04 0.00 3.74 0.00 0.00 2.03 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 83 I 8.06 4.18 1.65 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.33 0.27 0.00 0.00 84 P 0.00 4.34 0.00 2.17 2.02 0.00 3.80 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 2.02 1.80 0.00 85 H 8.59 4.55 0.00 3.09 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.10 4.14 0.00 2.75 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 87 T 7.34 4.88 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 88 D 9.18 5.08 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 5.09 0.00 2.64 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 90 A 9.08 4.90 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 91 S 9.08 5.39 0.00 4.08 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 92 V 9.23 4.90 2.37 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 1.20 0.00 0.00 0.92 0.00 0.00 93 I 9.45 5.04 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.97 0.00 0.00 94 Q 9.31 5.36 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 9.26 5.30 0.00 3.90 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 96 N 9.03 4.64 0.00 2.77 2.94 0.00 0.00 5.86 7.68 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 97 V 7.49 4.58 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 0.74 0.00 0.00 1.02 0.00 0.00 98 P 0.00 4.71 0.00 2.00 2.14 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.02 4.90 1.93 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 1.29 0.89 1.00 0.00 0.00 100 V 8.63 4.47 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 0.72 0.00 0.00 1.01 0.00 0.00 101 V 5.82 4.43 0.67 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 0.59 0.00 0.00 0.39 0.00 0.00 102 Q 8.96 4.47 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 103 H 8.81 5.35 0.00 3.18 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.16 4.15 4.18 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.