NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5556 8.3531 120.5430 55.4610 42.2263 174.5547 5 G 3.9818 9.1706 110.9003 45.3750 0.0000 171.8785 6 Y 4.4402 8.5428 118.6727 57.5331 38.1392 173.4356 7 F 4.6216 9.0113 123.5252 57.4168 40.1425 176.0946 8 E 4.8133 8.0503 119.7172 53.0505 32.5046 173.8652 9 P 4.1680 0.0000 0.0000 63.3674 31.7303 176.9535 10 T 3.5872 8.5561 112.7939 64.7634 68.3611 175.8868 11 Q 3.9937 7.9178 117.7559 57.7186 28.6591 176.3028 12 E 4.4718 8.0233 117.2209 56.0275 30.0322 175.3844 13 L 4.7710 7.6724 120.2122 52.4617 44.0048 177.3179 14 S 4.3795 8.4090 117.7842 58.3259 65.0848 175.1015 15 D 4.4177 8.6732 122.7391 57.5010 40.3366 178.6889 16 E 3.9985 8.1660 118.4277 59.8596 29.8037 178.5844 17 T 4.0818 7.8661 114.1706 66.7270 68.6638 176.6114 18 R 4.3252 8.2069 120.0486 59.1271 30.0961 179.5148 19 D 4.5247 8.5403 117.0692 54.9666 40.8855 178.0266 *21 H 4.6057 8.1394 120.5475 56.3874 31.8658 175.3412 22 R 3.7220 8.2288 118.2511 59.1556 29.7472 178.9495 23 A 3.8040 7.9081 120.2749 55.1350 18.3646 179.6394 24 I 3.5934 7.6284 117.7302 64.6260 37.2423 178.2506 25 I 3.5809 7.9118 119.6789 64.1810 37.6511 177.8651 26 S 4.0505 7.9805 115.8979 61.5223 62.6884 176.4129 27 L 3.9425 8.1998 123.1035 58.3667 41.8856 179.0617 28 R 3.9299 8.2745 118.2526 59.5297 30.0253 178.9718 29 E 3.9807 8.4038 118.2623 59.3462 29.4321 179.1135 30 E 4.0187 8.4640 118.9276 59.5716 29.4938 179.5221 31 L 4.0141 8.1006 118.9133 57.5992 41.6686 179.1517 32 E 3.8715 8.3275 119.0985 59.2271 29.5506 178.7219 33 A 3.8482 8.0880 120.7824 55.0117 18.5379 179.3816 34 V 3.6114 7.9462 116.8296 66.4318 31.5237 177.5032 35 D 4.3575 8.2596 117.3760 57.4758 41.0772 178.3837 36 L 3.9096 8.3584 119.4252 58.2058 41.6262 179.1796 37 Y 4.3493 8.0584 116.6341 61.1074 37.8184 178.4336 38 N 4.3583 8.2075 117.6750 56.7238 39.0347 177.1296 39 Q 4.0428 8.1652 119.5798 58.8714 28.7363 178.8676 40 R 3.9027 8.1928 119.1679 59.1352 29.9182 178.8577 41 V 3.5944 8.2333 117.3157 66.4274 31.4965 177.2759 42 N 4.4146 7.9353 114.3845 56.3597 38.9109 175.9751 43 A 4.3160 7.9714 120.1104 52.3465 19.5165 177.2552 44 C 4.2586 7.7389 117.8783 59.6002 32.3822 173.0228 45 K 4.3049 8.4636 123.1195 58.0464 33.4753 177.3342 46 D 4.4380 7.8748 119.0536 53.7511 41.9962 176.4796 47 K 3.9039 8.7389 127.1132 59.5956 32.1815 178.7117 48 E 3.8841 8.1774 118.8843 59.2342 29.6826 178.4096 49 L 3.9306 8.7184 120.7458 58.0298 42.1348 178.6850 50 K 3.8953 8.2821 119.4256 59.4534 32.0828 178.5895 51 A 3.9515 8.0258 120.8837 55.3523 18.2972 179.5304 52 I 3.6062 7.6610 118.3129 64.6408 37.0315 178.7033 53 L 3.6877 8.0421 119.4664 57.5243 41.3378 179.3011 54 A 3.9274 7.9242 119.6228 54.8257 18.4977 178.9850 55 H 4.1938 8.0074 117.3311 59.2838 29.9556 176.7579 56 N 4.0556 8.0730 118.3537 56.4920 38.1599 177.0763 57 R 3.9317 7.2432 118.4525 59.8536 30.5416 177.9055 58 D 4.4806 7.9093 118.0900 56.9111 40.8644 178.6148 59 E 4.0021 7.9213 118.8148 59.1150 29.4334 178.7072 60 E 4.0840 7.9323 118.4501 58.5575 29.5202 179.2589 61 K 4.0318 7.6142 117.9974 59.2076 31.8098 178.9012 62 E 3.9341 7.8253 118.8762 59.4836 29.6900 178.0431 63 H 4.3629 8.1319 114.3220 59.0179 29.0455 176.9229 64 A 4.2412 8.4504 122.4397 55.1109 18.1636 180.5423 65 A 4.1678 7.8646 116.4687 52.8586 18.3478 179.3497 *67 L 4.2930 7.8777 122.3607 56.3523 43.9600 179.0392 68 L 4.1146 8.3959 120.1792 58.4634 41.9020 178.7841 69 E 4.0138 8.5506 119.1403 58.8154 29.3659 178.3898 70 W 4.0749 8.2945 127.2711 60.5112 31.2196 177.4440 71 I 3.9088 8.3934 119.8295 64.5166 36.1083 178.3881 72 R 4.0059 8.2352 119.5603 59.5244 29.7094 178.7023 73 R 3.9593 7.8400 116.5033 58.1399 30.1102 177.5705 74 C 4.6547 7.1473 114.0154 58.4591 29.2627 173.3105 75 D 4.5362 7.6152 119.9777 51.0118 42.3476 173.7564 76 P 4.2707 0.0000 0.0000 65.4074 31.1806 178.4589 77 A 4.0533 8.0679 119.2280 54.9690 18.2524 179.3109 78 F 4.6413 8.8468 119.5710 61.4708 39.5106 177.0313 79 D 4.2161 8.3825 117.8316 56.9547 40.7199 178.0949 80 K 3.8720 7.9973 119.4986 59.6887 32.6068 178.3644 81 E 4.2218 7.7629 117.3716 59.4369 29.3806 179.3386 82 L 3.8852 7.9003 119.2064 57.6222 41.3630 179.6025 83 K 3.9230 7.8060 117.6865 59.6765 32.0236 178.7282 84 D 4.2697 7.7787 118.0729 56.3800 40.7715 176.7941 85 Y 4.5019 7.5921 114.8615 58.8454 40.1013 176.5368 86 L 3.8330 7.8496 119.0908 55.6859 42.0581 176.6421 87 F 3.9411 8.1448 119.7753 59.1714 36.0315 174.7519 88 T 4.7177 7.9104 110.4074 59.9781 71.1552 172.9514 89 N 4.9487 8.3866 115.1040 51.8927 38.5515 174.3638 90 K 4.3185 7.8318 118.3000 55.5667 33.7630 174.6368 91 P 4.4518 0.0000 0.0000 62.6819 31.8919 177.0956 92 I 3.8070 9.1060 123.7586 65.5048 37.5916 175.9698 93 A 4.1823 7.0850 125.6053 51.5499 18.4600 176.3703 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 4 D 8.35 4.56 0.00 2.71 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 5 G 9.17 3.98 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 0.00 0.00 0.00 6 Y 8.54 4.44 0.00 3.00 2.86 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 0.00 0.00 0.00 7 F 9.01 4.62 0.00 2.89 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 8 E 8.05 4.81 0.00 1.99 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 2.29 2.25 0.00 9 P 0.00 4.17 0.00 2.24 2.17 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 10 T 8.56 3.59 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 0.11 0.00 0.00 11 Q 7.92 3.99 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 12 E 8.02 4.47 0.00 2.14 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 2.26 2.24 0.00 13 L 7.67 4.77 0.00 1.77 1.63 1.17 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.41 4.38 0.00 4.07 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 15 D 8.67 4.42 0.00 2.75 2.81 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 16 E 8.17 4.00 0.00 2.02 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 2.36 2.49 0.00 17 T 7.87 4.08 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 1.27 0.00 0.00 18 R 8.21 4.33 0.00 2.09 2.15 0.00 3.34 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 1.91 1.99 0.00 19 D 8.54 4.52 0.00 2.79 2.73 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 0.00 0.00 0.00 *21 H 8.14 4.61 0.00 3.19 3.50 0.00 5.88 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 22 R 8.23 3.72 0.00 1.89 1.82 0.00 3.33 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 23 A 7.91 3.80 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 24 I 7.63 3.59 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.84 0.00 0.00 25 I 7.91 3.58 1.63 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.76 0.00 0.00 26 S 7.98 4.05 0.00 4.06 3.85 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 0.00 0.00 0.00 27 L 8.20 3.94 0.00 1.85 1.88 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.27 3.93 0.00 2.01 1.95 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 29 E 8.40 3.98 0.00 2.15 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 2.31 2.39 0.00 30 E 8.46 4.02 0.00 2.15 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 2.58 2.55 0.00 31 L 8.10 4.01 0.00 1.87 1.72 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.33 3.87 0.00 2.14 2.10 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 2.26 2.30 0.00 33 A 8.09 3.85 1.43 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 0.00 0.00 0.00 34 V 7.95 3.61 2.28 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 1.02 0.00 0.00 1.01 0.00 0.00 35 D 8.26 4.36 0.00 2.85 2.80 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 36 L 8.36 3.91 0.00 1.47 1.54 0.82 0.83 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 37 Y 8.06 4.35 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.36 0.00 3.24 2.93 0.00 0.00 7.14 6.24 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 39 Q 8.17 4.04 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 40 R 8.19 3.90 0.00 2.10 2.04 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 41 V 8.23 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 0.80 0.00 0.00 0.97 0.00 0.00 42 N 7.94 4.41 0.00 2.89 3.00 0.00 0.00 7.25 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 43 A 7.97 4.32 1.34 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 0.00 0.00 44 C 7.74 4.26 0.00 3.19 2.86 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 0.00 0.00 0.00 45 K 8.46 4.30 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 46 D 7.87 4.44 0.00 2.71 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 47 K 8.74 3.90 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.51 7.81 48 E 8.18 3.88 0.00 2.02 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 2.37 2.36 0.00 49 L 8.72 3.93 0.00 1.76 1.81 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.28 3.90 0.00 1.98 1.97 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 A 8.03 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 52 I 7.66 3.61 2.02 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 0.78 0.88 0.00 0.00 53 L 8.04 3.69 0.00 1.86 1.80 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.92 3.93 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 55 H 8.01 4.19 0.00 3.21 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.07 4.06 0.00 1.61 2.42 0.00 0.00 6.76 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 57 R 7.24 3.93 0.00 1.86 2.00 0.00 3.29 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 1.67 1.92 0.00 58 D 7.91 4.48 0.00 2.84 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 59 E 7.92 4.00 0.00 1.98 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 2.23 2.29 0.00 60 E 7.93 4.08 0.00 1.98 2.21 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 2.69 2.69 0.00 61 K 7.61 4.03 0.00 2.10 1.86 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 62 E 7.83 3.93 0.00 1.97 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 2.38 2.38 0.00 63 H 8.13 4.36 0.00 3.44 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.45 4.24 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 0.00 0.00 0.00 0.00 0.00 65 A 7.86 4.17 1.43 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 0.00 0.00 0.00 *67 L 7.88 4.29 0.00 1.96 1.83 0.94 0.41 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 68 L 8.40 4.11 0.00 2.07 1.91 1.22 0.87 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 69 E 8.55 4.01 0.00 2.20 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 2.37 2.42 0.00 70 W 8.29 4.07 0.00 3.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.91 2.31 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 1.06 0.00 0.00 72 R 8.24 4.01 0.00 1.99 2.10 0.00 3.20 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 73 R 7.84 3.96 0.00 1.53 1.81 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 74 C 7.15 4.65 0.00 2.39 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.62 4.54 0.00 2.65 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 76 P 0.00 4.27 0.00 2.20 2.08 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 77 A 8.07 4.05 1.39 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 0.00 0.00 78 F 8.85 4.64 0.00 3.33 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 79 D 8.38 4.22 0.00 3.09 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 80 K 8.00 3.87 0.00 1.80 2.05 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 81 E 7.76 4.22 0.00 2.10 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 2.69 2.65 0.00 82 L 7.90 3.89 0.00 1.48 1.54 0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.81 3.92 0.00 1.97 1.84 0.00 2.00 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 84 D 7.78 4.27 0.00 2.63 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 0.00 0.00 0.00 85 Y 7.59 4.50 0.00 2.87 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 86 L 7.85 3.83 0.00 1.74 1.04 0.43 0.59 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 87 F 8.14 3.94 0.00 3.24 3.10 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 88 T 7.91 4.72 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 1.26 0.00 0.00 89 N 8.39 4.95 0.00 2.79 2.91 0.00 0.00 5.97 7.13 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 90 K 7.83 4.32 0.00 1.90 1.88 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 91 P 0.00 4.45 0.00 2.09 2.04 0.00 3.69 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 2.11 0.00 92 I 9.11 3.81 1.87 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 1.37 0.74 0.82 0.00 0.00 93 A 7.09 4.18 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 * Residues marked with a * may have inaccurate shift predictions.