NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 S 4.5071 8.1933 115.4193 58.1723 64.7764 173.9480 28 R 3.8498 8.4625 118.0667 59.1152 29.9112 177.4555 29 S 4.1332 8.3012 114.7203 61.7020 63.2750 175.5901 30 Y 4.0202 7.8830 121.7394 60.8840 38.5691 178.0498 31 R 3.7029 7.8747 118.2436 59.6144 30.2069 178.9173 32 R 3.9929 7.9068 116.9863 59.5163 30.2333 178.9936 33 A 3.9349 7.8468 120.2420 54.9248 18.1067 179.5323 34 K 3.6894 7.4640 117.1313 59.7160 32.2883 178.5687 35 E 4.0252 7.7315 117.4458 59.3032 29.6912 178.9141 36 A 4.1972 7.8317 120.5916 54.5923 18.4723 179.9691 37 V 3.7434 7.5732 116.3019 63.3641 31.8520 178.2351 *39 R 4.2751 8.0752 117.5937 55.8514 32.3350 177.9605 40 A 4.0755 8.0854 119.2375 55.4165 18.4526 179.7442 41 L 4.0703 8.1932 117.4165 58.0299 41.5679 179.2738 42 Y 4.0350 8.0964 119.2216 60.6114 38.8166 176.9390 43 Y 4.0596 8.0136 120.2001 61.0655 38.8267 177.5323 44 Q 3.5846 8.1407 120.0417 59.4424 29.0289 177.6526 45 Y 3.9444 8.0604 119.9464 60.8681 38.7952 178.5219 46 R 3.5620 7.7757 119.0964 59.5243 29.9829 177.8582 47 D 4.1458 7.3967 116.3146 57.2230 41.3384 178.0513 48 R 3.8468 7.9812 119.4634 59.3822 29.9893 178.5948 49 K 3.6326 7.7417 117.7094 58.9746 32.0351 178.2873 50 L 4.2935 7.4635 119.0377 55.7958 42.1966 177.0436 51 R 4.5692 7.5833 116.5130 55.5172 31.0334 175.0097 52 K 4.3864 7.8862 118.6231 55.4515 33.2581 176.1070 53 R 4.4254 8.1771 122.9681 54.2955 33.9275 174.0263 54 E 4.6563 8.1386 122.0105 54.5184 31.9886 175.3041 55 F 4.6611 8.2494 122.6609 56.4710 40.6245 177.2498 56 R 4.0024 8.4146 122.6261 60.1043 29.5488 177.2699 57 R 3.8479 7.8903 116.9050 59.1606 30.0486 178.5235 58 L 3.7120 7.6165 119.8120 57.8160 41.9977 178.7311 59 W 4.8717 7.4165 118.2238 60.4387 29.0713 178.4096 60 I 3.9001 7.9716 119.0671 64.3621 36.5757 178.4400 61 A 3.9478 7.8521 121.4224 55.1240 18.3029 179.9848 62 R 3.8710 8.1706 116.5255 59.4048 30.2209 179.1393 63 I 3.6934 8.2263 120.0199 64.7186 37.2424 177.4202 64 N 4.3936 8.5085 117.3077 57.0577 38.4611 176.1894 65 A 3.9445 7.7982 120.6510 55.2997 18.8125 179.1625 66 A 3.9503 7.8120 118.5783 55.6131 18.5819 180.4525 67 V 3.7392 7.9533 110.3734 64.2216 31.5859 179.0180 68 R 4.5791 8.2611 119.0457 58.2371 29.6542 178.3748 69 A 4.1092 7.5925 118.9655 53.8539 18.3562 177.4777 70 Y 4.7010 7.5083 113.5528 57.7208 38.3373 176.4437 71 G 3.9950 8.3515 107.6814 45.4720 0.0000 173.4801 72 L 4.8743 7.7083 118.4307 52.0730 45.1942 175.6118 73 N 5.0603 8.4959 119.9229 51.7417 40.3358 175.3782 74 Y 4.1593 8.6968 123.2521 61.5089 38.7650 178.6420 75 S 4.2114 8.4943 115.0147 62.2854 62.9503 176.6697 76 T 3.8466 7.9605 117.1984 66.7919 68.2505 175.7635 77 F 4.0980 8.1379 122.2425 61.7198 39.2201 177.1839 78 I 3.2876 7.5803 118.6913 64.4746 36.7247 178.1193 79 N 4.3314 7.9660 115.8286 56.2334 38.6224 177.5287 80 G 3.5687 8.3682 107.3238 47.7971 0.0000 175.2264 81 L 3.7504 7.7133 124.0764 57.8266 41.8748 179.2479 82 K 3.9650 8.1439 117.8714 58.7044 31.6854 178.9671 83 K 4.0587 8.1136 118.4339 58.8058 31.9993 178.1834 84 A 4.1887 7.4518 119.4784 52.7832 18.3598 178.3255 85 G 3.9011 9.2081 105.9442 45.2209 0.0000 173.2246 86 I 4.6005 7.1117 110.5003 59.0381 40.4993 173.9812 87 E 4.2823 8.5983 121.3615 55.3494 30.0964 175.6932 88 L 4.5130 8.2712 126.0239 52.9675 43.4988 175.6357 89 D 4.4590 8.7462 125.3514 55.1864 41.4621 178.1040 90 R 4.0708 8.7193 122.5447 58.8894 30.0278 179.0253 91 K 2.9172 7.7764 119.3295 58.6132 31.8685 178.6537 92 I 3.5604 7.0692 119.7513 64.3098 37.1586 177.8698 93 L 4.2682 7.8647 117.4782 57.9778 41.7110 179.0534 94 A 4.1272 7.8281 120.4112 55.0573 18.2823 179.6373 95 D 4.6688 7.9688 115.9111 54.7787 40.7403 178.2658 *97 A 3.6299 8.0052 123.8695 51.5201 20.4725 178.8783 98 V 3.9137 7.0664 114.1688 64.7736 32.1588 177.2041 99 R 4.2640 7.8696 116.9516 57.5687 31.2269 176.4044 100 D 4.8196 7.5413 115.9961 50.7181 41.3382 173.5090 101 P 4.4364 0.0000 0.0000 65.6881 31.5135 177.8895 102 Q 3.9627 8.1072 117.0287 59.1720 29.3813 177.6578 103 A 4.1312 9.0265 121.8653 55.1897 18.4543 178.9788 104 F 4.0721 8.2313 119.2435 61.8914 39.3507 177.0345 105 E 3.4977 8.2176 117.9531 59.2195 29.2774 178.9417 106 Q 3.8831 8.3414 118.5969 58.7700 28.7666 178.7351 107 V 3.4973 7.5354 118.7511 66.0566 31.6670 178.0188 108 V 3.6029 7.5453 118.0345 66.0750 31.2343 177.6527 109 N 4.3549 7.9767 116.0958 55.6262 38.4046 177.4074 110 K 3.9309 8.1299 121.4689 59.3454 32.0305 179.1254 111 V 3.5709 7.7413 117.9285 65.7346 31.5947 177.8475 112 K 4.1158 7.9605 118.3359 59.3579 31.7645 179.1854 113 E 3.9868 8.1763 118.6662 59.3837 29.2526 179.1991 114 A 4.0747 7.8496 118.9948 54.1283 18.4663 178.4866 115 L 4.4792 7.4358 115.2701 53.8451 43.5266 176.7855 116 Q 3.7416 8.1214 117.7036 57.9891 25.9946 172.5650 117 V 2.8920 8.1853 113.0991 63.6143 29.8562 174.4886 118 Q 3.7151 8.6460 128.6849 56.5414 28.8243 173.9136 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 27 S 8.19 4.51 0.00 4.06 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 28 R 8.46 3.85 0.00 1.98 2.03 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 29 S 8.30 4.13 0.00 3.91 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 30 Y 7.88 4.02 0.00 3.07 3.27 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 31 R 7.87 3.70 0.00 2.10 1.97 0.00 3.27 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 32 R 7.91 3.99 0.00 1.96 1.96 0.00 3.27 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 33 A 7.85 3.93 1.32 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 0.00 0.00 0.00 34 K 7.46 3.69 0.00 1.21 1.74 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.35 7.81 35 E 7.73 4.03 0.00 2.14 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 0.00 2.30 2.40 0.00 36 A 7.83 4.20 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 37 V 7.57 3.74 2.20 0.00 0.00 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 0.94 0.00 0.00 *39 R 8.08 4.28 0.00 2.16 2.05 0.00 3.18 0.00 0.00 3.60 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 40 A 8.09 4.08 1.46 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 0.00 0.00 0.00 41 L 8.19 4.07 0.00 1.78 1.79 0.95 0.69 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 42 Y 8.10 4.03 0.00 3.11 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 43 Y 8.01 4.06 0.00 3.26 3.34 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 0.00 44 Q 8.14 3.58 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 45 Y 8.06 3.94 0.00 3.10 2.90 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 46 R 7.78 3.56 0.00 1.52 1.78 0.00 3.16 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 47 D 7.40 4.15 0.00 2.14 2.34 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 0.00 48 R 7.98 3.85 0.00 1.81 1.85 0.00 3.06 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 49 K 7.74 3.63 0.00 1.53 1.63 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.71 0.79 7.81 50 L 7.46 4.29 0.00 1.81 1.68 0.88 0.81 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 51 R 7.58 4.57 0.00 1.75 1.84 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 52 K 7.89 4.39 0.00 1.73 1.60 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.41 7.81 53 R 8.18 4.43 0.00 1.72 1.13 0.00 3.21 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 54 E 8.14 4.66 0.00 1.75 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 2.16 2.35 0.00 55 F 8.25 4.66 0.00 2.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.00 0.00 1.96 1.95 0.00 3.39 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 57 R 7.89 3.85 0.00 1.75 1.89 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 58 L 7.62 3.71 0.00 1.21 0.41 0.28 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.42 4.87 0.00 3.57 3.30 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 60 I 7.97 3.90 1.79 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 1.61 0.89 0.30 0.00 0.00 61 A 7.85 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.17 3.87 0.00 2.18 2.01 0.00 3.48 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 63 I 8.23 3.69 2.24 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.16 1.19 0.00 0.00 64 N 8.51 4.39 0.00 2.96 3.00 0.00 0.00 7.15 8.14 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 65 A 7.80 3.94 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 66 A 7.81 3.95 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 V 7.95 3.74 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 0.08 0.00 0.00 1.03 0.00 0.00 68 R 8.26 4.58 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 69 A 7.59 4.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.51 4.70 0.00 3.13 2.83 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 71 G 8.35 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 0.00 0.00 0.00 72 L 7.71 4.87 0.00 1.87 1.63 1.06 0.65 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 73 N 8.50 5.06 0.00 3.00 2.99 0.00 0.00 5.80 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 74 Y 8.70 4.16 0.00 3.18 3.12 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 75 S 8.49 4.21 0.00 3.98 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 76 T 7.96 3.85 4.43 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 0.00 0.00 1.24 0.00 0.00 77 F 8.14 4.10 0.00 3.10 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 78 I 7.58 3.29 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.06 0.82 0.00 0.00 79 N 7.97 4.33 0.00 2.82 2.86 0.00 0.00 7.09 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 80 G 8.37 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.71 3.75 0.00 1.14 1.51 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.14 3.96 0.00 1.98 1.80 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.60 7.81 83 K 8.11 4.06 0.00 1.66 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 84 A 7.45 4.19 1.25 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 0.00 0.00 0.00 85 G 9.21 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 86 I 7.11 4.60 1.86 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 1.40 0.60 0.90 0.00 0.00 87 E 8.60 4.28 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 2.28 2.25 0.00 88 L 8.27 4.51 0.00 1.58 1.56 0.97 1.27 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 89 D 8.75 4.46 0.00 2.80 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 90 R 8.72 4.07 0.00 2.03 2.22 0.00 3.56 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 91 K 7.78 2.92 0.00 1.22 1.42 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.88 0.21 7.81 92 I 7.07 3.56 2.03 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 1.47 0.58 0.92 0.00 0.00 93 L 7.86 4.27 0.00 1.75 2.01 1.13 1.04 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 94 A 7.83 4.13 1.46 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 0.00 0.00 0.00 95 D 7.97 4.67 0.00 2.74 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 *97 A 8.01 3.63 0.40 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 0.00 0.00 0.00 98 V 7.07 3.91 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 0.78 0.00 0.00 0.94 0.00 0.00 99 R 7.87 4.26 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 100 D 7.54 4.82 0.00 2.62 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 0.00 101 P 0.00 4.44 0.00 2.26 2.18 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 102 Q 8.11 3.96 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 103 A 9.03 4.13 1.45 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 0.00 0.00 0.00 104 F 8.23 4.07 0.00 3.22 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 0.00 105 E 8.22 3.50 0.00 2.30 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 0.00 1.97 1.73 0.00 106 Q 8.34 3.88 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 107 V 7.54 3.50 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 1.08 0.00 0.00 0.93 0.00 0.00 108 V 7.55 3.60 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 0.73 0.00 0.00 0.55 0.00 0.00 109 N 7.98 4.35 0.00 2.78 2.75 0.00 0.00 6.60 6.31 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 0.00 110 K 8.13 3.93 0.00 2.06 1.74 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 111 V 7.74 3.57 2.15 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 0.81 0.00 0.00 0.72 0.00 0.00 112 K 7.96 4.12 0.00 2.01 1.93 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.65 7.81 113 E 8.18 3.99 0.00 2.21 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 2.30 2.55 0.00 114 A 7.85 4.07 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 0.00 115 L 7.44 4.48 0.00 1.73 1.71 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.12 3.74 0.00 2.05 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.15 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 117 V 8.19 2.89 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 0.76 0.00 0.00 0.91 0.00 0.00 118 Q 8.65 3.72 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.