NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4254 8.3349 115.2903 58.2172 63.4254 173.7891 6 D 4.3385 8.5643 125.5480 55.4229 41.2611 175.6397 7 K 4.2871 8.0851 118.9854 55.8188 33.6724 176.8806 8 L 3.9397 8.0967 120.6147 56.3847 42.3268 176.3844 9 Y 5.6951 7.2766 114.7453 55.2540 42.5937 174.1085 10 R 5.3169 8.4383 120.1219 54.9458 33.5637 174.4048 11 V 4.9998 8.5503 123.8803 60.2015 35.1186 174.0671 12 E 4.4969 8.4118 118.8231 55.7897 33.2906 174.1394 13 Y 4.8530 8.0772 118.3628 57.2918 38.9980 175.5132 14 A 3.6452 9.2049 126.5030 52.2774 18.7456 178.8110 15 K 3.7999 8.7177 123.0627 58.8590 32.4952 176.5955 16 S 4.6571 7.6179 111.6167 57.0281 66.1167 174.1214 17 G 4.5362 8.5510 106.4852 45.8167 0.0000 174.5093 18 R 4.2682 8.0345 120.3366 56.6129 31.2463 177.1629 19 A 4.2042 7.7856 120.2562 52.2141 19.5277 176.4027 20 S 5.0404 8.4620 117.7224 56.7106 65.0616 173.8029 21 C 4.2761 8.7745 125.6131 59.4092 31.6445 174.8583 22 K 3.8269 8.1883 126.4468 59.0232 31.9541 178.5712 23 K 4.1858 8.0497 119.3913 58.8766 32.7115 177.1067 24 C 4.5010 8.0432 111.2144 57.1252 30.4195 175.0258 25 S 3.9743 8.2209 113.7866 58.7027 62.5969 170.9680 26 E 4.4052 7.8194 122.7029 56.0025 30.6711 176.1016 27 S 4.7887 8.6056 118.9741 58.4618 64.6781 173.5491 28 I 4.3446 8.4428 123.1318 59.0832 38.4499 173.9386 29 P 4.5176 0.0000 0.0000 61.8702 31.9339 176.0730 30 K 4.2320 8.3241 121.8006 57.5561 32.3318 177.0856 31 D 4.6677 9.2658 123.9608 54.6886 40.2248 174.6113 32 S 4.4460 7.5920 114.2323 57.8468 64.7240 173.2964 33 L 4.7325 8.4835 123.7297 54.9766 42.5365 175.5094 34 R 4.9357 8.4959 123.7707 54.4768 33.3090 173.9079 *36 A 5.1103 8.2648 118.2558 52.8268 20.0838 176.8890 37 I 4.6720 8.0192 121.1583 60.5660 40.6617 174.4973 *39 V 3.9057 8.1927 122.8948 63.4046 32.8837 176.0030 40 Q 4.1756 8.5015 128.5742 56.2984 29.5267 175.4561 41 S 4.3333 7.8316 120.5480 56.5813 63.6453 171.5184 42 P 4.4779 0.0000 0.0000 62.8353 31.1048 176.0593 *44 F 4.4654 7.7635 112.6725 56.5099 38.6986 173.9544 45 D 4.3736 8.9155 120.9383 54.5537 40.7315 175.5177 46 G 4.4269 7.5159 119.9207 44.7199 0.0000 170.5075 47 K 4.5378 7.9575 120.9600 55.9821 32.9539 176.8894 48 V 4.7042 8.8735 117.2544 58.7440 35.1920 173.6906 49 P 4.2529 0.0000 0.0000 62.8176 32.6013 175.4215 50 H 4.6222 8.7261 120.4158 54.0898 30.2055 174.0052 51 W 5.2127 8.3607 124.0108 56.4390 30.5554 175.3482 52 Y 5.1329 8.9233 119.9706 56.1049 41.4639 175.1716 53 H 4.3289 9.0218 118.8731 56.2732 30.0201 176.1203 54 F 4.1832 9.3466 123.8662 61.7864 39.1794 177.8193 55 S 4.4432 8.4279 113.1655 61.9014 62.7519 175.9034 56 C 4.2323 8.2995 118.9629 62.3759 28.0520 175.4031 57 F 3.6026 8.4354 122.3024 60.9950 38.7871 177.3274 58 W 4.1610 7.6478 117.1060 59.4794 28.5988 178.6704 59 K 4.0283 7.9396 117.8138 59.1504 31.5232 178.6721 60 V 4.0716 7.0082 110.3017 60.4287 32.5809 176.4145 61 G 3.7548 7.8262 108.0191 46.2192 0.0000 172.1988 62 H 4.8942 7.9319 119.9346 54.1685 32.3575 174.3672 63 S 4.5806 8.5186 119.1420 56.6967 62.5476 171.8538 64 I 4.3281 7.9800 123.5317 59.6538 37.8616 176.0607 65 R 4.1552 8.7060 125.2972 58.1717 30.7881 176.7613 66 H 4.8356 8.6934 115.4167 51.8071 29.4386 171.7074 67 P 4.1383 0.0000 0.0000 65.6706 31.2872 177.2693 68 D 3.3700 7.4030 115.3250 55.7172 38.9780 177.9915 69 V 4.1534 7.3451 111.2878 62.3403 33.0324 177.2199 70 E 4.5481 8.4934 117.6559 56.6334 30.1651 176.3858 71 V 4.3946 7.7157 119.1854 60.5060 31.7178 174.0385 72 D 4.5442 8.4158 127.3334 56.1351 41.5846 177.7251 73 G 4.1359 9.0216 113.1478 46.3941 0.0000 174.8418 74 F 4.0257 8.3131 122.4474 61.3703 39.3265 177.2796 75 S 4.3573 8.2047 112.1004 60.3129 63.0969 174.2832 76 E 4.3676 7.8094 119.3136 56.5176 29.5276 176.3476 77 L 4.4398 7.2941 119.4897 53.4757 42.9549 177.5449 78 R 4.1223 8.6964 120.7016 56.2777 31.9993 177.9148 79 W 4.1559 8.9411 131.5779 60.8659 30.7989 178.1791 80 D 4.1367 8.3215 118.2204 56.1544 38.8272 177.9523 81 D 4.2683 7.8071 120.0182 56.8628 41.1204 178.2743 82 Q 3.4142 7.8387 118.6446 58.9777 28.5142 179.1702 83 Q 3.7499 7.5846 118.9105 58.5424 28.7206 178.4025 84 K 3.7889 7.6430 120.6113 59.3293 32.0292 179.1300 85 V 3.8837 8.0002 118.5122 65.9947 31.6431 177.8933 86 K 3.8801 8.1690 118.2234 59.6432 31.8565 179.0189 87 K 4.2555 8.0578 120.9231 59.3806 31.8198 178.9391 88 T 3.5514 7.5443 114.5618 66.1446 68.3254 176.3617 89 A 3.5207 7.6321 122.3857 54.9597 18.4583 179.3364 90 E 3.9442 8.1104 115.7981 59.0629 29.3981 176.9915 91 A 4.2055 7.2755 125.6000 52.1784 18.7493 176.8116 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 5 S 8.33 4.43 0.00 3.86 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 6 D 8.56 4.34 0.00 2.76 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 7 K 8.09 4.29 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.34 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.41 7.81 8 L 8.10 3.94 0.00 0.34 0.90 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.28 5.70 0.00 2.82 2.75 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 10 R 8.44 5.32 0.00 1.76 1.64 0.00 3.25 0.00 0.00 3.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 11 V 8.55 5.00 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 0.81 0.00 0.00 0.92 0.00 0.00 12 E 8.41 4.50 0.00 1.98 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 1.98 1.99 0.00 13 Y 8.08 4.85 0.00 2.90 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 14 A 9.20 3.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 3.80 0.00 1.72 1.88 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.40 7.81 16 S 7.62 4.66 0.00 3.91 3.91 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 0.00 0.00 0.00 0.00 17 G 8.55 4.54 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 0.00 0.00 0.00 18 R 8.03 4.27 0.00 1.78 1.99 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 19 A 7.79 4.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 5.04 0.00 3.74 3.78 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 21 C 8.77 4.28 0.00 2.89 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 22 K 8.19 3.83 0.00 0.79 1.62 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.19 1.16 7.81 23 K 8.05 4.19 0.00 1.99 2.05 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 C 8.04 4.50 0.00 3.19 3.22 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 25 S 8.22 3.97 0.00 4.19 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 26 E 7.82 4.41 0.00 2.18 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 2.36 2.29 0.00 27 S 8.61 4.79 0.00 4.08 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 28 I 8.44 4.34 1.73 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 0.88 0.59 0.83 0.00 0.00 29 P 0.00 4.52 0.00 2.18 1.97 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 30 K 8.32 4.23 0.00 1.68 1.71 0.00 1.67 0.00 0.00 0.61 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 31 D 9.27 4.67 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.59 4.45 0.00 3.98 4.01 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 33 L 8.48 4.73 0.00 1.73 1.62 0.67 0.46 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 34 R 8.50 4.94 0.00 1.98 1.90 0.00 2.21 0.00 0.00 2.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.00 *36 A 8.26 5.11 0.33 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 37 I 8.02 4.67 2.00 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 1.39 0.88 0.86 0.00 0.00 *39 V 8.19 3.91 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 0.77 0.00 0.00 0.72 0.00 0.00 40 Q 8.50 4.18 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 41 S 7.83 4.33 0.00 3.41 2.87 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 42 P 0.00 4.48 0.00 2.08 2.02 0.00 3.74 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 2.00 2.03 0.00 *44 F 7.76 4.47 0.00 3.21 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 45 D 8.92 4.37 0.00 2.63 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 46 G 7.52 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 0.00 0.00 0.00 0.00 47 K 7.96 4.54 0.00 1.62 1.67 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.40 7.81 48 V 8.87 4.70 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 0.92 0.00 0.00 0.95 0.00 0.00 49 P 0.00 4.25 0.00 0.49 1.06 0.00 3.43 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 50 H 8.73 4.62 0.00 3.25 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.36 5.21 0.00 3.27 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 52 Y 8.92 5.13 0.00 2.98 3.02 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 53 H 9.02 4.33 0.00 3.42 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.35 4.18 0.00 3.45 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 55 S 8.43 4.44 0.00 4.24 4.33 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 56 C 8.30 4.23 0.00 3.40 3.32 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 57 F 8.44 3.60 0.00 2.87 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 58 W 7.65 4.16 0.00 3.44 3.14 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 59 K 7.94 4.03 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.73 7.81 60 V 7.01 4.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.36 0.00 0.00 61 G 7.83 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 62 H 7.93 4.89 0.00 3.04 2.99 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.52 4.58 0.00 3.84 3.80 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 64 I 7.98 4.33 2.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.88 0.00 0.00 65 R 8.71 4.16 0.00 1.63 1.79 0.00 3.13 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 66 H 8.69 4.84 0.00 3.07 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.14 0.00 1.69 2.08 0.00 3.51 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 68 D 7.40 3.37 0.00 2.67 2.30 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 69 V 7.35 4.15 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 0.80 0.00 0.00 0.99 0.00 0.00 70 E 8.49 4.55 0.00 2.06 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 2.41 2.36 0.00 71 V 7.72 4.39 2.30 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 1.03 0.00 0.00 0.94 0.00 0.00 72 D 8.42 4.54 0.00 2.87 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 73 G 9.02 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 0.00 0.00 0.00 74 F 8.31 4.03 0.00 3.28 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 75 S 8.20 4.36 0.00 4.12 4.15 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 76 E 7.81 4.37 0.00 2.10 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 0.00 2.35 2.35 0.00 77 L 7.29 4.44 0.00 1.44 1.42 0.67 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.70 4.12 0.00 1.96 1.94 0.00 3.02 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 79 W 8.94 4.16 0.00 3.38 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 80 D 8.32 4.14 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 81 D 7.81 4.27 0.00 2.86 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 82 Q 7.84 3.41 0.00 1.86 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 1.35 2.29 0.00 83 Q 7.58 3.75 0.00 1.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 84 K 7.64 3.79 0.00 1.87 1.72 0.00 0.92 0.00 0.00 0.84 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.30 7.81 85 V 8.00 3.88 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 1.46 0.00 0.00 1.25 0.00 0.00 86 K 8.17 3.88 0.00 1.87 1.85 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.83 7.81 87 K 8.06 4.26 0.00 1.79 1.96 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.31 7.81 88 T 7.54 3.55 3.96 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 -0.30 0.00 0.00 89 A 7.63 3.52 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 3.94 0.00 2.16 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 0.00 2.42 2.26 0.00 91 A 7.28 4.21 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 * Residues marked with a * may have inaccurate shift predictions.