NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6450 8.4249 117.7838 52.0549 39.6039 176.0875 2 W 4.9132 7.8668 118.2427 57.3608 29.4644 172.8383 3 V 3.7009 8.6734 118.6859 64.6702 31.4443 176.9872 4 N 4.4916 7.9699 115.9368 55.9661 38.0405 177.0297 5 V 3.7027 7.4807 119.0734 65.2573 31.4778 178.1665 6 I 3.5835 7.3925 119.4767 64.2691 36.4529 178.3365 7 S 4.1448 7.8306 115.0323 61.3329 62.3915 176.1128 8 D 4.4518 7.6554 121.9277 56.6074 40.6438 178.5623 9 L 3.9674 7.4788 119.7410 57.0484 41.2314 179.1612 10 K 4.0029 7.6657 118.9374 59.0806 32.1998 178.9431 11 K 4.0337 7.7410 117.7926 59.1063 31.8195 179.2278 12 I 3.8960 7.2071 119.7854 63.7651 37.3109 177.5894 13 E 4.1615 7.8221 116.0335 58.3063 29.6183 175.8522 14 D 4.7374 8.9319 117.5808 55.9958 44.0113 178.5138 15 L 3.6899 8.7482 125.3590 57.3797 41.4717 181.3868 16 I 3.9363 8.5239 117.3862 62.9852 35.6554 182.4391 17 Q 4.4300 7.7672 119.1063 54.7406 28.3237 181.6855 *21 I 4.3236 7.7092 126.8121 58.6582 37.1538 178.2982 22 D 4.6920 8.0901 117.5909 54.5056 44.8785 174.6544 23 A 5.0259 8.1371 119.8120 53.1994 20.8774 174.9714 24 T 4.7671 8.3171 104.8313 60.4798 70.7960 174.4789 25 L 4.6079 8.4904 124.8184 52.6797 45.3825 175.3812 26 Y 5.0943 8.3198 119.6789 58.5795 37.7757 175.4870 27 T 4.5254 10.0076 121.9394 61.5606 72.9875 172.8558 28 E 4.8228 8.6057 123.7988 54.9729 32.3919 175.3629 29 S 4.6714 8.9131 120.8189 58.8990 65.6467 175.1581 30 D 4.6029 8.3465 117.8249 53.2130 39.0803 181.6690 31 V 3.7429 7.7868 123.4486 65.0051 30.5836 175.2856 *32 H 4.4271 8.4841 124.4008 52.9616 28.5133 172.6908 33 P 4.1198 0.0000 0.0000 64.6277 30.9225 177.0008 34 S 4.6170 7.7918 111.4513 58.0869 63.1809 175.4869 35 C 4.7738 8.5268 119.1489 56.4813 43.6376 175.3548 36 K 3.9597 8.0408 120.1208 57.9334 32.4785 177.9215 37 V 4.2762 7.9887 118.5103 65.4294 31.7127 177.6775 38 T 4.1456 8.5893 115.9014 66.2822 68.4539 176.7440 39 A 4.0401 7.6077 122.3463 55.1261 18.2735 179.3232 40 M 4.0762 7.8736 116.1556 58.5243 32.3483 178.6504 41 K 4.0907 7.7614 117.6533 59.5078 32.1590 178.7671 42 C 4.3125 8.1526 116.6032 60.1137 40.9261 176.0220 43 F 4.1521 8.0751 119.3186 60.7723 38.1219 177.8251 44 L 4.4256 8.2314 117.9613 57.4657 41.6239 179.1701 45 L 4.1542 7.9902 120.4331 58.2911 42.1400 178.4342 46 E 3.8776 8.4380 118.6665 59.6980 29.4405 179.0931 47 L 4.1455 8.4256 119.9307 58.6954 42.1305 178.8331 48 Q 4.2146 8.5329 117.0499 57.6966 28.7330 178.0777 49 V 3.7144 8.3402 119.9147 65.0492 31.3910 177.7373 50 I 3.8623 7.5654 119.8063 64.3916 36.9650 178.2202 51 S 4.1970 7.8731 114.6338 61.2047 62.6874 176.1849 52 L 4.0675 7.4932 122.3836 58.3441 41.8202 178.6086 53 E 4.1506 7.9989 118.4502 57.9984 29.5186 177.4052 54 S 4.6111 8.1705 115.2671 57.5233 63.8422 175.2494 55 G 3.6190 8.6233 113.5316 46.7289 0.0000 173.2650 56 D 4.2932 7.4381 119.7959 54.8848 41.7965 176.8047 57 A 4.3057 8.4265 126.1988 54.1932 19.0641 179.9666 58 S 4.1724 7.8254 111.7767 61.1133 63.2339 176.5430 59 I 3.9771 7.7377 116.0680 63.6545 37.8498 177.6797 60 H 4.2597 7.7128 115.1694 58.9181 28.4257 177.3800 61 D 4.4713 7.9747 120.3253 56.9540 40.7174 178.8017 62 T 4.0391 7.4034 115.3101 66.3158 68.8041 177.5735 63 V 3.7201 8.1938 114.5507 63.9661 31.4862 178.3384 64 E 3.9437 8.1196 119.3848 59.1945 29.5748 178.2917 65 N 4.3477 7.9387 116.9104 56.3233 38.8679 176.7036 66 L 3.9937 7.7038 121.5775 58.0793 42.2473 178.9523 67 I 3.8169 7.9400 119.8898 64.2056 36.8467 178.5311 68 I 3.7283 7.8027 120.9561 64.1413 36.9951 178.4108 69 L 3.7999 7.7320 119.0624 57.6595 41.5299 179.4418 70 A 3.5209 8.1373 120.6390 55.1542 18.4916 178.9948 71 N 4.2432 8.4916 115.3202 57.0740 38.5232 177.4832 72 N 4.3978 7.6293 115.5692 55.8747 38.5932 177.7091 73 S 3.9514 7.1779 115.7256 61.4458 62.8753 175.9518 74 L 4.4881 7.5714 120.0615 57.3746 42.2524 179.1549 75 S 4.1124 7.8010 120.6224 59.2430 60.2797 173.9352 *81 T 4.2203 7.8040 117.9074 60.0977 69.8310 171.0772 82 E 4.8775 8.3171 116.5026 55.7857 32.8246 174.5360 83 S 4.5680 8.2903 111.8371 57.7403 65.1356 174.0308 84 G 3.9405 8.9221 113.9913 45.4786 0.0000 174.2732 85 C 4.4761 7.8230 118.7422 57.1425 40.9510 173.6416 86 K 4.6377 8.0467 122.1093 52.8340 32.3551 177.4992 87 E 4.2932 8.6226 122.3306 55.4691 30.3098 178.8528 88 C 4.2329 8.1978 117.0748 60.0340 40.3527 176.4558 89 E 3.1371 7.8667 118.0170 57.8558 29.2172 177.0614 90 E 4.4316 7.3933 117.0638 55.7701 29.9604 175.4775 91 L 4.5816 6.4663 118.6482 53.7626 43.6966 176.4954 92 E 4.1498 8.3990 119.7298 56.9255 30.8263 176.5253 93 E 5.0141 8.8801 122.5081 55.1048 30.6991 175.2031 94 K 4.7268 8.9335 126.5556 54.6232 36.2022 176.4798 95 N 4.9554 9.2825 121.1652 52.4412 37.8459 175.4964 96 I 4.0985 8.3947 119.4845 65.6583 35.3729 178.5063 97 K 4.2383 7.8566 123.0938 60.4808 32.1327 184.3520 98 E 4.6015 8.1042 120.9803 58.0569 29.5985 179.1436 99 F 4.3505 8.7323 121.4128 61.3304 39.5382 176.8594 100 L 3.9730 7.7408 118.2516 58.3192 41.2393 179.8034 101 Q 3.9089 8.0578 117.4877 58.9866 28.7495 178.7597 102 S 4.3731 8.3233 115.6404 60.1814 62.7670 176.3030 103 F 2.6829 7.4333 123.8203 60.5425 39.0023 177.2182 104 V 3.4978 7.4185 116.5285 66.5306 31.4200 177.5032 105 H 4.3998 7.7851 115.1415 58.8975 28.8422 177.5344 106 I 3.8075 7.1599 118.1815 63.1035 37.7268 177.8636 107 V 3.3243 7.3782 119.4834 65.8954 31.3955 177.7857 108 Q 4.0114 7.8797 117.9419 59.1983 28.3071 178.5449 109 M 4.0166 7.8353 117.8204 58.5528 32.4023 177.8472 110 F 4.0070 7.3042 117.4150 59.6472 39.2139 177.5125 111 I 4.1351 7.6935 119.6042 64.4601 36.6972 178.1586 112 N 4.9109 7.8984 113.6892 53.4258 38.3582 175.3668 113 T 4.1881 8.5952 118.1483 62.2297 68.9494 173.2626 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 N 8.42 4.64 0.00 2.76 2.80 0.00 0.00 6.72 7.07 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 2 W 7.87 4.91 0.00 3.47 3.15 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 3 V 8.67 3.70 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 1.11 0.00 0.00 1.01 0.00 0.00 4 N 7.97 4.49 0.00 2.76 2.83 0.00 0.00 6.81 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 5 V 7.48 3.70 2.45 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 1.01 0.00 0.00 1.16 0.00 0.00 6 I 7.39 3.58 2.03 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 1.56 0.71 0.89 0.00 0.00 7 S 7.83 4.14 0.00 4.02 4.11 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 0.00 0.00 0.00 0.00 8 D 7.66 4.45 0.00 2.50 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 9 L 7.48 3.97 0.00 1.74 1.58 0.69 -0.10 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 10 K 7.67 4.00 0.00 1.83 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.46 7.81 11 K 7.74 4.03 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.59 7.81 12 I 7.21 3.90 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.94 0.00 0.00 13 E 7.82 4.16 0.00 1.99 2.26 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 2.33 2.38 0.00 14 D 8.93 4.74 0.00 2.93 2.53 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 15 L 8.75 3.69 0.00 1.61 1.62 0.92 0.94 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 16 I 8.52 3.94 1.87 0.00 0.00 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 1.16 1.10 0.91 0.00 0.00 17 Q 7.77 4.43 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.61 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 *21 I 7.71 4.32 1.87 0.00 0.00 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 1.27 1.11 0.91 0.00 0.00 22 D 8.09 4.69 0.00 2.75 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 23 A 8.14 5.03 1.14 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 0.00 0.00 0.00 0.00 0.00 24 T 8.32 4.77 4.14 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 0.00 0.00 1.19 0.00 0.00 25 L 8.49 4.61 0.00 1.21 1.16 -0.05 0.70 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 26 Y 8.32 5.09 0.00 2.83 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 27 T 10.01 4.53 4.38 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 1.53 0.00 0.00 28 E 8.61 4.82 0.00 1.83 1.66 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 2.20 2.43 0.00 29 S 8.91 4.67 0.00 3.87 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 30 D 8.35 4.60 0.00 2.70 2.54 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 31 V 7.79 3.74 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 0.94 0.00 0.00 0.94 0.00 0.00 *32 H 8.48 4.43 0.00 2.88 2.94 0.00 7.26 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 33 P 0.00 4.12 0.00 2.08 2.16 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 34 S 7.79 4.62 0.00 3.97 3.95 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 35 C 8.53 4.77 0.00 2.97 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 36 K 8.04 3.96 0.00 1.77 2.03 0.00 0.63 0.00 0.00 1.52 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.46 7.81 37 V 7.99 4.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.30 0.00 0.00 38 T 8.59 4.15 4.41 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 1.21 0.00 0.00 39 A 7.61 4.04 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 40 M 7.87 4.08 0.00 2.36 1.94 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.37 0.00 41 K 7.76 4.09 0.00 2.11 1.90 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.71 7.81 42 C 8.15 4.31 0.00 3.02 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 43 F 8.08 4.15 0.00 2.88 1.60 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 44 L 8.23 4.43 0.00 1.93 1.89 1.07 1.39 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 45 L 7.99 4.15 0.00 1.81 1.85 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.44 3.88 0.00 2.43 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 47 L 8.43 4.15 0.00 2.51 2.09 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.53 4.21 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 49 V 8.34 3.71 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 0.93 0.00 0.00 0.88 0.00 0.00 50 I 7.57 3.86 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.93 0.00 0.00 51 S 7.87 4.20 0.00 3.81 3.54 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 52 L 7.49 4.07 0.00 1.89 1.72 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.00 4.15 0.00 2.02 1.97 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 2.31 2.28 0.00 54 S 8.17 4.61 0.00 3.99 4.14 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 0.00 0.00 0.00 55 G 8.62 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.29 0.00 2.79 2.52 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 0.00 57 A 8.43 4.31 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 58 S 7.83 4.17 0.00 4.12 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 59 I 7.74 3.98 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.14 1.01 0.00 0.00 60 H 7.71 4.26 0.00 3.37 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.97 4.47 0.00 2.91 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 62 T 7.40 4.04 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 63 V 8.19 3.72 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 0.83 0.00 0.00 1.02 0.00 0.00 64 E 8.12 3.94 0.00 2.17 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 2.31 2.31 0.00 65 N 7.94 4.35 0.00 2.96 2.93 0.00 0.00 6.87 8.02 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 66 L 7.70 3.99 0.00 1.87 1.77 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.94 3.82 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.60 0.95 0.00 0.00 68 I 7.80 3.73 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.88 0.00 0.00 69 L 7.73 3.80 0.00 1.85 1.54 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.14 3.52 1.63 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 0.00 0.00 71 N 8.49 4.24 0.00 2.85 2.90 0.00 0.00 7.13 6.78 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 72 N 7.63 4.40 0.00 2.65 2.78 0.00 0.00 7.17 8.18 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 73 S 7.18 3.95 0.00 2.97 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 74 L 7.57 4.49 0.00 1.88 1.87 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.80 4.11 0.00 3.87 3.81 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 *81 T 7.80 4.22 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 82 E 8.32 4.88 0.00 2.00 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 2.17 2.26 0.00 83 S 8.29 4.57 0.00 3.79 3.71 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 84 G 8.92 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 0.00 0.00 0.00 85 C 7.82 4.48 0.00 2.97 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 86 K 8.05 4.64 0.00 1.77 1.58 0.00 1.70 0.00 0.00 2.36 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 0.98 7.81 87 E 8.62 4.29 0.00 2.17 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 2.36 2.29 0.00 88 C 8.20 4.23 0.00 3.06 3.11 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 0.00 0.00 0.00 0.00 89 E 7.87 3.14 0.00 1.79 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 2.31 2.38 0.00 90 E 7.39 4.43 0.00 1.96 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 0.00 2.26 2.14 0.00 91 L 6.47 4.58 0.00 1.41 1.74 0.74 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.40 4.15 0.00 2.13 1.92 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 2.35 2.31 0.00 93 E 8.88 5.01 0.00 1.89 1.90 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 2.08 2.62 0.00 94 K 8.93 4.73 0.00 1.81 1.98 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.49 7.81 95 N 9.28 4.96 0.00 2.65 2.71 0.00 0.00 7.59 7.05 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 96 I 8.39 4.10 1.87 0.00 0.00 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 1.50 0.54 0.91 0.00 0.00 97 K 7.86 4.24 0.00 1.75 1.83 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.09 7.81 98 E 8.10 4.60 0.00 2.16 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 0.00 2.45 2.34 0.00 99 F 8.73 4.35 0.00 3.26 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 0.00 100 L 7.74 3.97 0.00 1.84 1.74 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.06 3.91 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 102 S 8.32 4.37 0.00 4.27 4.13 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 0.00 103 F 7.43 2.68 0.00 2.70 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 0.00 104 V 7.42 3.50 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 0.85 0.00 0.00 0.83 0.00 0.00 105 H 7.79 4.40 0.00 3.15 3.25 0.00 5.67 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 0.00 106 I 7.16 3.81 1.81 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 1.45 1.45 0.24 0.00 0.00 107 V 7.38 3.32 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 0.92 0.00 0.00 0.97 0.00 0.00 108 Q 7.88 4.01 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 M 7.84 4.02 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 110 F 7.30 4.01 0.00 2.49 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 0.00 0.00 0.00 0.00 111 I 7.69 4.14 2.04 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 1.73 0.86 0.98 0.00 0.00 112 N 7.90 4.91 0.00 2.69 2.83 0.00 0.00 6.90 6.84 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 0.00 113 T 8.60 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.