NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4749 8.3049 120.6123 55.1555 33.6002 174.8503 2 I 3.7635 8.3229 127.4012 60.4894 38.4054 169.6248 3 V 4.7867 8.5832 126.6964 61.3701 34.2764 174.1167 4 T 4.8127 8.9938 122.4964 60.4812 70.9402 173.9181 5 T 4.7093 8.9775 116.4667 61.9072 69.7133 174.2223 6 T 4.5347 7.7423 113.4537 60.7431 71.1617 175.7509 7 S 4.1940 8.7614 116.6450 59.9326 63.3166 174.3079 8 G 4.0195 7.5021 106.8736 45.0909 0.0000 173.5498 9 I 4.0735 7.8024 121.0347 59.0354 36.2520 174.2245 10 Q 4.0931 8.4160 123.7010 59.8248 28.3965 176.1858 11 G 3.9178 8.5051 112.7365 45.0414 0.0000 173.0793 12 K 4.5940 8.3143 119.7271 54.2455 34.6268 175.7847 13 E 4.1679 8.5858 123.0613 55.9848 30.2158 176.4355 14 I 3.9505 8.0786 124.2493 60.9150 37.9413 175.9760 15 I 3.9602 8.4010 127.3447 64.0179 37.5599 176.4227 16 E 4.6124 7.6392 121.5036 54.9576 33.2554 173.6222 17 Y 4.3650 8.7454 124.7884 57.6414 37.5039 175.6856 18 I 3.9322 8.9473 126.1678 62.9312 37.5636 175.9732 19 D 4.4729 7.5923 118.4214 53.7021 44.6123 173.8162 20 I 4.6584 8.4234 122.8934 60.7707 38.1688 175.9515 21 V 4.6620 8.8514 119.3687 59.7908 35.5880 174.3602 22 N 5.4949 8.6340 118.5614 52.0479 43.0346 173.9311 23 G 4.3355 8.9614 106.6970 45.1186 0.0000 171.5967 24 E 5.3646 9.2075 120.2209 54.3688 34.0659 174.8360 25 A 4.6646 8.9739 124.4202 50.2383 22.3374 174.9718 26 I 4.6071 8.3821 123.8248 60.2642 38.0933 175.9707 27 M 4.4113 9.3852 128.5130 54.4366 33.1834 176.4571 28 G 3.7871 8.4929 107.1341 45.8920 0.0000 173.8902 29 A 4.0621 8.5687 125.3850 51.4487 18.0211 177.9274 *40 R 3.9463 7.9651 125.4692 56.8643 31.2743 176.1070 41 D 4.6605 8.0344 117.6208 53.0081 41.4979 176.4886 42 V 4.3866 8.2493 124.5185 60.6932 33.4143 175.1460 43 V 4.4568 8.1069 125.6405 59.4528 34.2629 175.6547 44 G 3.7522 8.5481 112.3036 44.9751 0.0000 174.6821 45 G 3.7132 8.7180 110.5049 47.7347 0.0000 175.0329 46 R 4.2709 7.8163 117.2426 55.6147 30.7098 174.9766 47 A 4.0995 7.9676 122.6081 53.1215 18.5886 178.8431 48 G 3.9825 9.3642 110.6612 45.8034 0.0000 172.9559 49 S 4.7241 7.5393 112.1860 56.6186 66.2669 173.7809 50 Y 4.2885 8.7745 122.2167 59.9626 38.8094 175.4381 51 E 4.5478 7.7282 116.4762 53.7790 32.6060 175.5725 52 S 5.0375 8.0918 114.3194 57.7282 63.1116 175.2853 53 K 3.9230 8.7115 125.6250 59.6103 31.9986 177.8851 54 L 4.3986 7.7862 116.3593 54.9158 42.2602 178.4513 55 K 3.8907 8.1566 121.5705 59.3977 31.9998 177.9955 56 E 3.8670 8.2342 118.7820 59.3133 29.5524 178.2832 57 A 3.9868 8.0294 120.0517 55.4167 18.4281 179.4178 58 R 3.8241 8.2566 117.2085 59.7189 30.1558 178.5033 59 D 4.3508 8.6408 119.1669 57.2292 40.8661 178.6270 60 I 3.6827 7.9720 120.2549 64.3880 37.2512 178.3167 61 A 3.9601 8.1417 121.4517 55.5756 18.1698 179.7027 62 M 4.0733 8.2507 117.2513 58.3278 31.8942 178.7936 63 D 4.3149 8.5922 119.7228 57.1826 41.0253 178.1932 64 E 3.8859 8.0370 119.6435 59.5642 29.6459 178.4773 65 M 4.1286 7.8445 117.6113 58.7208 32.2218 178.1974 66 K 3.9418 8.2612 118.7202 59.6555 32.2477 179.1916 67 E 3.9484 8.5663 119.1701 59.1601 29.3935 179.2125 68 L 3.9195 8.0884 120.1873 58.0383 42.2215 178.7206 69 A 3.9871 8.0804 120.7316 55.3135 18.2981 179.7669 70 K 3.9222 8.3397 117.1431 59.6256 31.8734 179.2666 71 Q 4.0166 7.9367 118.9194 58.7944 28.9849 177.6748 72 K 4.4256 7.6908 116.6560 55.7384 32.2703 177.0896 73 G 3.7903 7.8518 107.0235 46.1525 0.0000 173.8712 74 A 4.4259 7.9120 122.0637 51.4945 19.2221 178.0384 75 N 5.0608 8.3707 117.2323 52.4881 38.3110 174.0001 76 A 4.8183 7.4566 119.6765 51.4940 23.0711 175.6636 77 I 4.9083 8.8593 120.1102 59.9822 41.3318 175.3313 78 V 4.6637 8.6698 119.9927 58.9417 35.4826 175.6279 79 G 4.2227 9.1620 108.0785 46.7015 0.0000 174.3991 80 V 4.6843 7.6383 111.9029 60.5752 32.9750 175.3191 81 D 4.9078 8.6157 122.6571 52.3934 45.0767 174.0309 82 V 4.6535 8.3796 123.3074 61.2064 33.6151 174.2798 83 D 5.0998 9.2187 127.6096 52.7154 44.1273 174.7719 84 Y 5.1230 8.4727 118.0754 56.3013 41.3907 174.5939 85 E 4.7275 9.1066 124.2668 54.3498 33.6923 174.2388 86 V 3.8661 8.5550 126.7900 63.2876 31.7105 173.8113 87 V 4.1437 9.4085 128.2040 63.3690 34.3600 179.4703 88 R 4.4589 7.5048 122.2085 55.5262 32.8680 174.3830 89 D 4.7814 8.4825 115.3366 54.8106 39.4740 176.3220 90 G 4.0343 8.2255 109.2160 45.1138 0.0000 171.6811 91 M 4.1323 7.4348 118.6633 55.9136 33.2146 175.5121 92 L 4.8248 8.5791 123.1633 54.0876 43.6899 175.0217 93 M 4.9647 9.2907 124.7611 53.9316 34.5534 174.5269 94 V 4.7031 8.6287 125.5549 60.9828 34.1754 173.9864 95 A 5.1869 8.7417 129.6095 49.9363 22.1985 174.9218 96 V 4.8980 9.0217 122.0014 59.8242 34.6158 174.9516 97 S 5.0989 8.8305 117.6811 56.9968 66.9635 172.7640 98 G 4.2186 8.3651 106.6957 46.4979 0.0000 172.2040 99 T 5.0427 8.5621 117.2589 61.4043 70.4527 174.4589 100 A 4.6964 9.2806 130.1391 52.1017 19.6474 176.6418 101 V 4.8034 8.8422 114.9276 59.5235 36.7588 174.3914 102 R 4.9463 8.7196 124.1251 54.7727 31.7459 176.5290 103 I 4.0846 9.0734 119.5214 61.0259 37.6458 175.0817 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 M 8.30 4.47 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 I 8.32 3.76 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 1.22 0.65 0.90 0.00 0.00 3 V 8.58 4.79 2.08 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 0.78 0.00 0.00 0.92 0.00 0.00 4 T 8.99 4.81 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 5 T 8.98 4.71 4.29 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 1.24 0.00 0.00 6 T 7.74 4.53 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 1.22 0.00 0.00 7 S 8.76 4.19 0.00 3.91 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 7.50 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 9 I 7.80 4.07 1.85 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 1.40 0.85 0.90 0.00 0.00 10 Q 8.42 4.09 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 11 G 8.51 3.92 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 0.00 0.00 0.00 12 K 8.31 4.59 0.00 1.75 1.67 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.49 7.81 13 E 8.59 4.17 0.00 1.94 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 2.32 0.00 14 I 8.08 3.95 1.66 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.34 0.20 0.00 0.00 15 I 8.40 3.96 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.89 0.00 0.00 16 E 7.64 4.61 0.00 1.98 1.70 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 2.32 2.37 0.00 17 Y 8.75 4.37 0.00 2.92 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 18 I 8.95 3.93 2.01 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 1.11 0.61 0.97 0.00 0.00 19 D 7.59 4.47 0.00 2.68 2.46 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 20 I 8.42 4.66 1.88 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 1.36 0.69 0.91 0.00 0.00 21 V 8.85 4.66 2.08 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 0.73 0.00 0.00 0.98 0.00 0.00 22 N 8.63 5.49 0.00 2.50 2.63 0.00 0.00 6.67 7.65 0.00 0.00 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 G 8.96 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 0.00 0.00 0.00 0.00 24 E 9.21 5.36 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 25 A 8.97 4.66 1.22 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 0.00 0.00 0.00 26 I 8.38 4.61 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 1.35 0.63 0.92 0.00 0.00 27 M 9.39 4.41 0.00 1.88 2.18 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 2.66 2.52 0.00 28 G 8.49 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.57 4.06 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 *40 R 7.97 3.95 0.00 1.80 1.96 0.00 3.22 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 41 D 8.03 4.66 0.00 2.69 2.60 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 42 V 8.25 4.39 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 0.83 0.00 0.00 0.92 0.00 0.00 43 V 8.11 4.46 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 0.79 0.00 0.00 0.92 0.00 0.00 44 G 8.55 3.75 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 0.00 0.00 0.00 45 G 8.72 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 0.00 0.00 0.00 46 R 7.82 4.27 0.00 1.82 1.85 0.00 3.10 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 47 A 7.97 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.36 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 49 S 7.54 4.72 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.77 4.29 0.00 2.89 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 51 E 7.73 4.55 0.00 1.98 1.78 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 2.13 2.05 0.00 52 S 8.09 5.04 0.00 3.82 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 53 K 8.71 3.92 0.00 1.76 1.88 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 54 L 7.79 4.40 0.00 1.73 1.78 0.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.16 3.89 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.44 7.81 56 E 8.23 3.87 0.00 2.09 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 2.39 2.40 0.00 57 A 8.03 3.99 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 58 R 8.26 3.82 0.00 2.09 2.09 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 D 8.64 4.35 0.00 2.90 2.70 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 60 I 7.97 3.68 2.02 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 1.46 1.03 0.91 0.00 0.00 61 A 8.14 3.96 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 M 8.25 4.07 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 63 D 8.59 4.31 0.00 2.82 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 64 E 8.04 3.89 0.00 2.24 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 0.00 2.30 2.32 0.00 65 M 7.84 4.13 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 66 K 8.26 3.94 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.67 7.81 67 E 8.57 3.95 0.00 2.24 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 2.33 2.36 0.00 68 L 8.09 3.92 0.00 1.85 1.82 0.92 1.06 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 69 A 8.08 3.99 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 70 K 8.34 3.92 0.00 1.99 1.87 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.44 7.81 71 Q 7.94 4.02 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 72 K 7.69 4.43 0.00 1.92 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.64 7.81 73 G 7.85 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.91 4.43 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 75 N 8.37 5.06 0.00 2.69 2.87 0.00 0.00 6.69 7.31 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 76 A 7.46 4.82 1.18 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 77 I 8.86 4.91 1.87 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 1.22 0.81 0.91 0.00 0.00 78 V 8.67 4.66 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 0.68 0.00 0.00 0.99 0.00 0.00 79 G 9.16 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 0.00 0.00 0.00 0.00 80 V 7.64 4.68 2.08 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 0.93 0.00 0.00 0.92 0.00 0.00 81 D 8.62 4.91 0.00 2.74 2.43 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 82 V 8.38 4.65 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 0.40 0.00 0.00 0.88 0.00 0.00 83 D 9.22 5.10 0.00 2.48 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 5.12 0.00 2.79 2.84 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 0.00 0.00 0.00 0.00 85 E 9.11 4.73 0.00 2.06 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 2.21 2.30 0.00 86 V 8.56 3.87 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 0.86 0.00 0.00 0.95 0.00 0.00 87 V 9.41 4.14 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 0.86 0.00 0.00 0.94 0.00 0.00 88 R 7.50 4.46 0.00 1.92 1.87 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 89 D 8.48 4.78 0.00 2.66 2.68 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 90 G 8.23 4.03 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 0.00 0.00 0.00 91 M 7.43 4.13 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 92 L 8.58 4.82 0.00 1.68 1.65 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 93 M 9.29 4.96 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 94 V 8.63 4.70 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 0.61 0.00 0.00 1.05 0.00 0.00 95 A 8.74 5.19 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 96 V 9.02 4.90 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 0.83 0.00 0.00 0.92 0.00 0.00 97 S 8.83 5.10 0.00 3.84 3.92 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 98 G 8.37 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 0.00 0.00 0.00 0.00 99 T 8.56 5.04 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 1.39 0.00 0.00 100 A 9.28 4.70 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 0.00 101 V 8.84 4.80 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 0.51 0.00 0.00 0.82 0.00 0.00 102 R 8.72 4.95 0.00 1.87 1.73 0.00 3.05 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 103 I 9.07 4.08 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.