NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4A L 4.2549 8.1849 122.4883 54.8211 43.1523 175.7522 5A E 4.1425 8.6530 125.8766 53.3422 30.7448 174.1653 6A T 4.4373 8.5715 114.3324 60.1149 72.2925 173.3234 7A F 4.8291 9.2048 119.6076 56.8473 40.2599 175.2585 8A V 3.7464 7.9253 120.8996 64.9720 31.2899 175.9101 9A G 4.0715 9.1773 116.9808 45.1720 0.0000 173.0787 10A D 4.7692 8.1684 120.4577 54.8426 41.9719 175.5636 11A Q 4.9803 8.5916 121.1653 54.0393 32.6889 174.5781 12A V 4.2841 8.3965 122.7751 61.2004 33.5162 174.3533 13A L 5.1362 8.4479 128.1390 53.0539 44.6238 174.9707 14A E 5.1280 9.2219 124.1501 54.7738 31.5188 174.6106 15A I 5.0475 8.9533 127.8947 59.7399 40.7106 174.9881 16A V 4.6284 8.3440 125.3220 59.8718 32.0746 172.7858 17A P 4.6060 0.0000 0.0000 62.4570 31.9638 177.7550 18A S 4.7222 9.0967 115.0054 58.4434 64.1119 173.4413 19A N 4.9746 7.5490 118.2923 50.5883 41.4535 174.3778 20A E 3.9433 8.7448 120.1541 59.4113 29.5754 178.3512 21A E 4.0033 8.1889 117.1818 59.6308 29.7783 179.0096 22A Q 4.0425 8.6737 119.1866 58.5797 28.6263 178.8727 23A I 3.7409 7.5831 121.1114 64.2682 37.2457 178.2654 24A K 3.8894 8.1605 120.4524 59.6815 32.0465 178.5637 25A N 4.4946 8.3132 116.7646 56.3460 38.4604 177.4593 26A L 4.2007 8.1234 120.4626 57.6931 41.6605 179.4985 27A L 3.8471 8.2455 119.3301 57.5488 41.4823 179.6371 28A Q 3.9254 7.9356 117.6294 58.8863 28.4945 178.4284 29A L 3.8998 7.4266 118.0486 58.0130 41.8072 178.9545 30A E 4.0158 7.9202 117.3346 59.2665 29.5165 178.4875 31A A 4.2375 7.8583 119.6297 53.8417 19.7690 178.9007 32A Q 4.2378 7.8257 118.0211 54.5386 26.5956 175.7374 33A E 3.8836 8.4021 125.2531 59.5654 29.9952 178.7200 34A H 4.4631 7.9229 113.3716 57.7053 28.3801 176.1037 34B L 4.1288 8.1900 119.3439 55.1685 41.7519 177.2902 34C Q 3.4660 7.7241 116.0308 56.6866 26.8003 173.9205 35A L 4.1928 7.1790 113.0309 54.4914 42.5716 176.7282 36A D 4.8618 8.5358 120.8033 52.4485 43.3458 174.6103 37A F 4.5280 9.0254 125.1207 56.8476 38.6803 175.8090 38A W 4.5221 9.0837 125.7552 59.0659 29.9429 176.8972 39A K 4.5221 8.1723 120.9432 54.8317 34.2068 176.0045 40A S 4.8270 8.8791 123.9769 57.6398 63.7219 172.8037 41A P 4.4708 0.0000 0.0000 63.0357 31.5124 174.5263 42A T 4.2811 7.6471 107.6505 62.9122 71.8609 173.6255 *47A T 4.7847 7.2283 109.1601 59.5371 70.3779 171.7826 48A P 4.4385 0.0000 0.0000 64.3750 31.7366 177.0525 49A G 4.0200 9.3606 111.2665 45.1379 0.0000 173.3114 50A E 4.5870 7.5842 119.1981 54.7626 30.9682 176.1233 51A T 4.5891 8.3111 112.8509 61.8249 70.0396 173.4398 52A A 4.9522 9.1500 124.0051 50.6017 23.1660 174.6441 53A H 5.5962 9.2485 117.5222 53.9733 32.5875 173.4214 54A V 4.4202 8.2559 121.6624 59.8701 34.8637 174.0199 55A R 4.1525 8.7785 126.4506 55.3201 31.3314 174.8479 56A V 4.4792 8.3298 127.0263 60.1479 33.8328 173.3738 57A P 4.7525 0.0000 0.0000 62.7624 32.3270 176.5869 58A F 4.0353 9.2998 124.8932 62.0501 39.0132 178.3617 59A V 3.4246 7.9746 109.5398 63.9240 31.6384 177.1680 60A N 4.6573 7.9821 113.7479 52.7980 38.7578 176.8185 61A V 3.4395 7.1657 121.7299 66.1237 31.4712 177.6834 62A Q 3.8419 7.7946 118.1103 59.1678 29.0298 177.6564 63A A 3.9645 7.8971 121.2608 55.3622 18.3488 179.6525 64A V 3.5135 7.8184 116.5504 65.9501 31.5111 178.4438 65A K 3.5914 8.0195 118.3171 59.2524 31.8246 179.4356 66A V 3.5981 8.1271 118.9126 65.9941 31.3089 177.8380 67A F 4.0841 8.2787 120.3500 61.1446 39.1397 176.9252 68A L 3.9983 8.2207 118.6218 58.0868 41.5147 179.3986 69A E 4.0494 8.4949 118.6708 59.4848 29.2174 179.6475 70A S 4.3474 8.3100 113.5052 60.7276 62.9852 175.5267 71A Q 4.3223 7.3024 119.3070 54.5648 28.9105 175.7694 72A G 3.8672 8.0837 108.3167 46.3979 0.0000 173.4971 73A I 4.2727 7.9444 120.8882 60.0169 38.1562 175.9404 74A A 4.4223 8.6946 129.3183 52.2002 19.7087 175.6101 75A Y 5.4471 7.9335 118.3042 56.6162 41.2626 173.4972 76A S 4.6162 9.0765 113.0649 57.1452 67.0033 173.4787 77A I 4.3792 8.2733 122.4429 61.3152 36.8877 175.4314 78A M 4.1937 9.1283 128.6533 57.6898 32.9850 176.3914 79A I 4.4403 7.3312 119.6904 59.4385 39.8088 176.3562 80A E 3.8395 9.0897 127.3649 58.9529 29.6796 177.1855 81A D 4.6983 7.7267 119.5775 51.7434 43.5052 175.5094 82A V 3.6261 8.8101 127.8756 66.1388 31.4084 177.6321 83A Q 4.1209 8.3946 118.9204 59.0094 28.5577 178.2489 84A V 3.5913 7.6025 119.6332 66.0318 31.5744 178.0937 85A L 4.0414 7.8642 118.2106 57.6584 41.5317 179.0186 86A L 4.0403 8.0053 120.3512 58.2003 41.9489 178.7961 87A D 4.3567 8.4309 119.1703 57.1643 40.6675 178.6604 88A K 3.9244 7.8351 119.9618 59.2715 32.2249 178.4348 89A E 3.9255 8.2743 119.6087 59.4727 29.6001 178.5709 90A N 4.3608 8.3903 116.5990 56.2076 38.5956 177.0039 91A E 3.9322 8.3895 120.7090 59.5593 29.8252 178.8233 92A E 4.0704 8.5321 118.9013 59.4244 29.4519 179.1434 93A M 4.0530 8.1955 118.4251 58.7545 32.3854 178.3791 94A L 4.0938 8.0932 119.1777 57.4266 41.8417 179.2039 95A F 4.1981 8.3111 120.8915 61.3903 39.1462 176.7489 96A N 4.2069 8.0735 115.3976 56.5616 38.8229 176.3912 97A R 4.0171 7.7865 119.5082 59.3417 30.2151 178.3900 98A R 4.0219 7.8306 115.1853 59.0801 29.5820 177.2417 99A R 4.0481 7.4205 120.0421 56.1497 29.5841 176.1200 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 4A L 8.18 4.25 0.00 1.60 1.63 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5A E 8.65 4.14 0.00 1.95 1.41 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 2.23 2.33 0.00 6A T 8.57 4.44 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 1.13 0.00 0.00 7A F 9.20 4.83 0.00 3.06 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 8A V 7.93 3.75 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 0.61 0.00 0.00 0.88 0.00 0.00 9A G 9.18 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 0.00 0.00 0.00 10A D 8.17 4.77 0.00 2.92 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 11A Q 8.59 4.98 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 12A V 8.40 4.28 1.71 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 0.43 0.00 0.00 -0.17 0.00 0.00 13A L 8.45 5.14 0.00 1.50 1.63 0.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14A E 9.22 5.13 0.00 2.02 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 2.29 2.40 0.00 15A I 8.95 5.05 1.97 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 1.20 0.72 1.07 0.00 0.00 16A V 8.34 4.63 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 0.82 0.00 0.00 0.97 0.00 0.00 17A P 0.00 4.61 0.00 2.29 2.21 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 18A S 9.10 4.72 0.00 3.97 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 19A N 7.55 4.97 0.00 2.96 2.93 0.00 0.00 5.87 7.66 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 20A E 8.74 3.94 0.00 2.10 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 0.00 2.38 2.44 0.00 21A E 8.19 4.00 0.00 2.28 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 2.36 2.76 0.00 22A Q 8.67 4.04 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 23A I 7.58 3.74 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.91 0.00 0.00 24A K 8.16 3.89 0.00 1.95 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 25A N 8.31 4.49 0.00 3.10 3.08 0.00 0.00 7.02 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 26A L 8.12 4.20 0.00 1.88 1.81 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27A L 8.25 3.85 0.00 1.79 1.65 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28A Q 7.94 3.93 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 29A L 7.43 3.90 0.00 1.94 1.85 0.86 0.30 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 30A E 7.92 4.02 0.00 1.16 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 31A A 7.86 4.24 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32A Q 7.83 4.24 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 33A E 8.40 3.88 0.00 1.94 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 2.18 2.29 0.00 34A H 7.92 4.46 0.00 3.19 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34B L 8.19 4.13 0.00 1.83 1.66 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34C Q 7.72 3.47 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 35A L 7.18 4.19 0.00 1.79 1.46 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36A D 8.54 4.86 0.00 2.85 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 37A F 9.03 4.53 0.00 2.99 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 38A W 9.08 4.52 0.00 3.26 3.23 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 39A K 8.17 4.52 0.00 1.88 1.74 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 40A S 8.88 4.83 0.00 3.80 3.70 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 41A P 0.00 4.47 0.00 2.18 2.10 0.00 3.43 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 1.86 1.78 0.00 42A T 7.65 4.28 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 1.22 0.00 0.00 *47A T 7.23 4.78 4.25 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 1.25 0.00 0.00 48A P 0.00 4.44 0.00 2.07 2.17 0.00 3.68 0.00 0.00 3.67 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 49A G 9.36 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50A E 7.58 4.59 0.00 2.12 1.89 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 2.29 2.38 0.00 51A T 8.31 4.59 4.30 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 1.29 0.00 0.00 52A A 9.15 4.95 1.40 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 53A H 9.25 5.60 0.00 3.21 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54A V 8.26 4.42 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 0.28 0.00 0.00 0.06 0.00 0.00 55A R 8.78 4.15 0.00 1.00 1.59 0.00 3.01 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 0.00 56A V 8.33 4.48 1.94 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 0.82 0.00 0.00 0.71 0.00 0.00 57A P 0.00 4.75 0.00 2.23 2.02 0.00 3.65 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 2.20 2.14 0.00 58A F 9.30 4.04 0.00 3.32 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 59A V 7.97 3.42 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 0.97 0.00 0.00 0.94 0.00 0.00 60A N 7.98 4.66 0.00 2.65 2.74 0.00 0.00 6.55 7.22 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 61A V 7.17 3.44 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 0.95 0.00 0.00 0.91 0.00 0.00 62A Q 7.79 3.84 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 63A A 7.90 3.96 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 64A V 7.82 3.51 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 0.87 0.00 0.00 0.81 0.00 0.00 65A K 8.02 3.59 0.00 1.96 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 1.44 7.81 66A V 8.13 3.60 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 1.08 0.00 0.00 1.02 0.00 0.00 67A F 8.28 4.08 0.00 3.13 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 68A L 8.22 4.00 0.00 1.97 1.81 1.12 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69A E 8.49 4.05 0.00 2.18 2.04 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 2.48 2.74 0.00 70A S 8.31 4.35 0.00 3.91 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 71A Q 7.30 4.32 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 72A G 8.08 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 73A I 7.94 4.27 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 1.01 0.00 0.00 74A A 8.69 4.42 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 75A Y 7.93 5.45 0.00 3.02 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 76A S 9.08 4.62 0.00 3.87 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 77A I 8.27 4.38 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 1.00 0.00 0.00 78A M 9.13 4.19 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 79A I 7.33 4.44 1.71 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 1.35 0.58 0.89 0.00 0.00 80A E 9.09 3.84 0.00 1.94 2.02 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 0.00 2.32 2.36 0.00 81A D 7.73 4.70 0.00 2.63 2.49 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 82A V 8.81 3.63 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 0.88 0.00 0.00 0.85 0.00 0.00 83A Q 8.39 4.12 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 84A V 7.60 3.59 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 0.99 0.00 0.00 0.99 0.00 0.00 85A L 7.86 4.04 0.00 1.92 1.74 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86A L 8.01 4.04 0.00 1.87 1.91 1.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87A D 8.43 4.36 0.00 2.93 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 88A K 7.84 3.92 0.00 1.99 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 89A E 8.27 3.93 0.00 2.18 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 0.00 2.32 2.37 0.00 90A N 8.39 4.36 0.00 2.94 2.88 0.00 0.00 6.72 8.21 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 91A E 8.39 3.93 0.00 2.10 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 0.00 2.26 2.35 0.00 92A E 8.53 4.07 0.00 2.06 2.03 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 2.29 2.52 0.00 93A M 8.20 4.05 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 94A L 8.09 4.09 0.00 1.82 1.75 0.95 0.95 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 95A F 8.31 4.20 0.00 3.22 3.28 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 96A N 8.07 4.21 0.00 2.83 3.02 0.00 0.00 7.23 7.69 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 97A R 7.79 4.02 0.00 1.99 2.12 0.00 3.32 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 98A R 7.83 4.02 0.00 1.95 2.00 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 99A R 7.42 4.05 0.00 1.83 1.56 0.00 3.02 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.