NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5989 8.3644 120.1937 53.9858 41.5301 172.6205 2 V 4.4134 7.6995 119.9686 60.2382 34.8043 172.5446 3 Q 4.8593 10.0361 128.1944 54.1159 32.0906 174.1230 4 L 5.2704 8.5079 121.9343 53.0128 45.4854 175.7058 5 Q 4.5947 8.8253 123.7682 54.2463 32.1563 173.9735 6 E 5.1424 8.9353 124.7649 56.2960 31.3346 175.5130 7 S 4.5891 9.1203 115.1640 57.5429 67.1538 172.8305 8 G 4.4229 8.8228 106.2114 42.1495 0.0000 171.6061 9 P 4.3682 0.0000 0.0000 62.7548 31.6050 176.9049 10 S 4.6909 8.5612 114.7102 57.7443 63.6415 173.4819 11 L 4.6970 7.5857 122.1148 53.5194 44.6935 175.4408 12 V 4.4309 8.1172 124.2917 60.8019 34.7213 175.0524 13 K 4.2522 8.4135 125.7549 55.3026 32.8009 174.8225 14 P 4.3962 0.0000 0.0000 63.9601 31.7103 177.3775 15 S 4.1555 8.7688 115.2060 58.4601 62.2729 169.4228 16 Q 4.4206 7.5044 119.8673 55.4662 31.3339 174.0590 17 S 5.0079 8.3692 114.8151 57.1825 65.6230 173.6243 18 L 4.3431 9.0007 127.1730 54.6698 43.3483 175.3973 19 S 5.0348 8.2999 119.1114 56.8515 65.6377 172.6920 20 L 4.9344 8.6965 124.9306 53.6634 46.7311 174.8494 21 T 5.1613 9.1665 117.6113 62.0245 71.8921 172.2390 22 C 5.1665 9.4077 126.4148 54.9884 45.1724 172.3608 23 T 4.6427 8.8108 123.1029 61.7568 70.7237 173.1100 24 V 5.0675 8.4063 127.0923 61.2740 33.5792 174.9467 25 T 4.5863 9.2069 117.4566 61.1596 71.7564 174.7855 26 G 4.1842 10.5431 112.1251 45.1497 0.0000 172.2222 27 Y 4.4159 7.2056 116.4552 56.7661 41.6788 172.8518 28 S 4.6959 7.5403 120.0807 56.8912 63.6795 174.5367 29 I 3.0211 8.3252 120.0175 61.4665 37.3580 177.0500 30 T 4.5892 7.4203 110.0924 61.3862 69.7022 175.2345 31 S 4.4367 7.7096 115.3631 58.1064 63.3278 172.7453 32 D 3.3700 8.2419 118.0452 54.7411 43.3340 175.3147 33 F 4.0260 7.3086 119.9874 56.7766 37.9131 174.2311 34 A 4.3155 7.7932 123.8882 50.8555 19.9096 177.0012 35 W 4.2573 8.4524 120.6538 54.9709 31.4649 174.6230 36 N 5.7612 8.8344 121.7938 51.2947 41.3406 174.2009 37 W 4.9682 9.0122 120.6460 55.1346 32.2753 174.9497 38 I 5.1969 8.6323 124.2438 59.6452 40.6119 174.6157 39 R 4.6926 8.9546 122.5725 54.2426 32.8634 174.2740 40 Q 4.7969 8.2176 121.1467 54.3584 31.2241 175.1353 41 F 4.6672 8.7715 125.6187 56.1022 40.8303 173.6258 42 P 4.5256 0.0000 0.0000 64.1970 31.5792 177.2737 43 G 3.9347 8.6424 111.2057 44.9838 0.0000 173.9198 44 N 4.6658 8.3808 116.2800 52.4560 37.3838 174.8163 45 K 4.2503 8.0201 118.2820 56.7589 33.2984 175.7172 46 L 5.1160 8.5372 123.3195 53.2810 44.1842 175.6370 47 E 4.7424 8.9623 122.8234 54.1680 33.0709 174.1042 48 W 4.5986 9.1772 135.0000 58.1903 31.0056 175.2506 49 M 4.0041 9.0070 127.6862 55.9169 33.1259 176.6678 50 G 3.7183 6.1466 104.1784 46.4887 0.0000 169.9485 51 Y 5.6758 8.1191 117.8379 55.7662 42.5654 173.6722 52 I 5.3523 8.8585 118.9510 59.1774 41.0550 175.1640 53 S 4.7542 9.7444 125.2140 57.9190 63.7110 174.9717 54 Y 4.6644 9.4302 117.6479 59.1358 37.6744 177.7816 55 S 4.2328 7.1134 113.0851 57.9030 63.3868 174.8623 56 G 3.9656 8.1178 109.5057 45.4457 0.0000 173.5845 57 N 4.7212 7.8637 118.4430 53.2480 39.6190 174.3594 58 T 5.6238 8.2748 112.6599 59.5517 71.5118 173.9901 59 R 4.3205 7.6078 120.7077 54.6364 34.2573 173.6173 60 Y 5.1825 8.1428 120.2632 55.7465 41.3731 174.9850 61 N 4.6235 8.6567 122.1280 53.2857 39.7322 173.8209 62 P 4.3373 0.0000 0.0000 65.8717 31.6471 178.4169 63 S 4.2690 8.3826 111.5574 60.4964 62.9090 174.8288 64 L 4.6699 8.2086 118.9574 53.6813 43.2913 177.9064 65 K 3.9359 7.7973 119.9114 59.4174 32.0246 177.5080 66 S 4.4040 7.9468 110.9987 59.5582 63.1970 174.3432 67 R 4.5969 8.6039 116.3881 55.4878 31.2934 174.2127 68 I 4.4636 7.4653 119.0912 59.5589 40.9024 174.7788 69 S 4.3425 8.3709 121.8095 57.0605 65.7486 172.4242 70 I 5.3196 9.0308 128.6897 59.9718 39.4060 175.0457 71 T 5.1366 8.8977 115.8273 60.3694 73.0766 172.0691 72 R 5.2305 8.6283 117.0926 55.1911 33.5888 174.6086 73 D 4.8874 9.7095 118.5618 52.0875 41.9796 175.5914 74 T 3.8977 8.6935 116.2346 64.2545 68.8254 176.8592 75 S 4.2230 7.8719 114.4831 59.8015 63.4066 174.8676 76 K 4.2490 8.0711 118.0618 55.2370 33.2826 175.1741 77 N 4.0732 7.7277 117.7939 54.6761 37.6277 172.9663 78 Q 5.0746 8.0528 116.7194 54.1363 33.9525 176.1023 79 F 5.1436 8.2979 116.4106 55.0943 41.7239 173.6058 80 F 5.5511 9.4297 116.7021 55.8408 43.7385 173.5235 81 L 4.5104 8.6788 122.8810 53.1643 44.9475 174.9346 82 Q 4.8303 8.6049 125.8305 54.1845 32.8576 173.6893 83 L 4.8147 8.8510 127.3952 52.4169 44.8906 174.8001 *583 N 4.7686 8.5979 122.7644 53.8714 40.1285 175.1075 584 S 4.1613 7.9276 115.4628 59.3376 63.6696 172.4261 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 D 8.36 4.60 0.00 2.65 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 2 V 7.70 4.41 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 1.00 0.00 0.00 1.10 0.00 0.00 3 Q 10.04 4.86 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 4 L 8.51 5.27 0.00 1.46 1.53 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.83 4.59 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 6 E 8.94 5.14 0.00 2.14 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 0.00 2.28 2.31 0.00 7 S 9.12 4.59 0.00 3.90 3.99 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 8 G 8.82 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 0.00 0.00 0.00 0.00 9 P 0.00 4.37 0.00 2.03 1.98 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 10 S 8.56 4.69 0.00 3.94 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 11 L 7.59 4.70 0.00 1.53 1.51 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.12 4.43 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 0.87 0.00 0.00 0.90 0.00 0.00 13 K 8.41 4.25 0.00 1.84 1.69 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.45 7.81 14 P 0.00 4.40 0.00 2.03 1.97 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 15 S 8.77 4.16 0.00 4.15 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 16 Q 7.50 4.42 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 17 S 8.37 5.01 0.00 3.70 3.67 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 18 L 9.00 4.34 0.00 1.61 1.42 0.86 0.44 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 19 S 8.30 5.03 0.00 3.77 3.58 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 20 L 8.70 4.93 0.00 0.90 1.36 0.76 0.43 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 21 T 9.17 5.16 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 1.21 0.00 0.00 22 C 9.41 5.17 0.00 1.78 1.54 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 23 T 8.81 4.64 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 1.21 0.00 0.00 24 V 8.41 5.07 1.96 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 1.02 0.00 0.00 1.02 0.00 0.00 25 T 9.21 4.59 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 26 G 10.54 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 0.00 0.00 0.00 0.00 27 Y 7.21 4.42 0.00 3.07 3.05 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 28 S 7.54 4.70 0.00 3.76 3.49 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 29 I 8.33 3.02 0.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.06 0.00 0.00 30 T 7.42 4.59 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 1.16 0.00 0.00 31 S 7.71 4.44 0.00 3.73 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 32 D 8.24 3.37 0.00 2.32 1.55 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 33 F 7.31 4.03 0.00 2.32 2.27 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 34 A 7.79 4.32 0.19 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 0.00 0.00 0.00 35 W 8.45 4.26 0.00 2.64 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 0.00 0.00 0.00 36 N 8.83 5.76 0.00 2.68 2.97 0.00 0.00 6.98 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 37 W 9.01 4.97 0.00 3.31 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 38 I 8.63 5.20 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.81 0.99 0.00 0.00 39 R 8.95 4.69 0.00 1.57 1.91 0.00 2.52 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 0.00 40 Q 8.22 4.80 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.09 0.00 0.00 0.00 0.00 0.00 2.22 2.59 0.00 41 F 8.77 4.67 0.00 3.10 2.96 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 42 P 0.00 4.53 0.00 2.10 2.03 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 43 G 8.64 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 0.00 0.00 0.00 44 N 8.38 4.67 0.00 2.84 3.23 0.00 0.00 6.98 7.42 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 45 K 8.02 4.25 0.00 1.95 1.94 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.50 7.81 46 L 8.54 5.12 0.00 1.57 1.63 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.96 4.74 0.00 2.29 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 2.35 2.43 0.00 48 W 9.18 4.60 0.00 3.37 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 49 M 9.01 4.00 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 50 G 6.15 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 51 Y 8.12 5.68 0.00 3.15 3.55 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 52 I 8.86 5.35 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 1.06 0.00 0.00 53 S 9.74 4.75 0.00 3.85 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 54 Y 9.43 4.66 0.00 3.46 3.68 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 0.00 0.00 0.00 55 S 7.11 4.23 0.00 3.76 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 57 N 7.86 4.72 0.00 2.75 2.77 0.00 0.00 6.59 7.83 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 58 T 8.27 5.62 3.50 0.00 0.00 0.00 0.00 0.00 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 59 R 7.61 4.32 0.00 0.93 1.75 0.00 2.90 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 60 Y 8.14 5.18 0.00 2.84 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 61 N 8.66 4.62 0.00 2.92 2.69 0.00 0.00 7.23 8.11 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 62 P 0.00 4.34 0.00 2.28 2.17 0.00 3.84 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 63 S 8.38 4.27 0.00 4.03 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 64 L 8.21 4.67 0.00 1.57 1.58 0.87 0.60 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 65 K 7.80 3.94 0.00 1.92 2.05 0.00 1.84 0.00 0.00 2.00 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.51 7.81 66 S 7.95 4.40 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 67 R 8.60 4.60 0.00 1.85 2.05 0.00 2.68 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 68 I 7.47 4.46 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.66 0.24 0.00 0.00 69 S 8.37 4.34 0.00 3.85 3.55 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 70 I 9.03 5.32 2.33 0.00 0.00 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 1.53 1.06 1.47 0.00 0.00 71 T 8.90 5.14 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 1.32 0.00 0.00 72 R 8.63 5.23 0.00 1.98 2.07 0.00 2.96 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 73 D 9.71 4.89 0.00 3.08 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 74 T 8.69 3.90 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 1.21 0.00 0.00 75 S 7.87 4.22 0.00 4.05 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 76 K 8.07 4.25 0.00 1.81 1.91 0.00 2.19 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.74 7.81 77 N 7.73 4.07 0.00 2.83 2.82 0.00 0.00 6.89 6.83 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 78 Q 8.05 5.07 0.00 1.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.41 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 79 F 8.30 5.14 0.00 3.34 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 80 F 9.43 5.55 0.00 3.01 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 81 L 8.68 4.51 0.00 0.27 0.34 0.55 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.60 4.83 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 83 L 8.85 4.81 0.00 1.53 1.34 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *583 N 8.60 4.77 0.00 2.61 2.73 0.00 0.00 7.33 7.57 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 0.00 584 S 7.93 4.16 0.00 4.11 3.80 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 * Residues marked with a * may have inaccurate shift predictions.