NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3218 8.3231 115.4131 58.7926 64.9471 172.9524 9 G 4.1537 7.8445 104.6106 41.0000 0.0000 170.1216 10 P 4.5430 0.0000 0.0000 61.5879 33.1509 174.4894 11 S 4.5184 8.2769 113.6112 57.8332 63.4967 174.2278 12 S 4.3159 8.3438 116.7126 57.5721 63.4269 172.4412 13 P 5.0445 0.0000 0.0000 62.4850 32.2913 175.3475 14 S 4.7293 8.9572 117.0058 56.5900 64.3246 173.1723 15 I 4.3872 8.5061 128.8309 61.6595 36.8199 175.3825 16 D 4.8876 9.1766 127.1764 55.0533 43.4032 176.8590 17 Q 4.4901 7.7011 118.2301 54.9226 32.6282 172.9786 18 V 4.5547 8.4485 126.2023 61.1365 34.0762 174.4076 19 E 4.4189 9.1882 128.7431 54.0374 30.6610 173.3709 20 P 4.5523 0.0000 0.0000 62.2524 33.0000 175.7827 21 Y 4.9189 8.7895 120.5045 57.0813 40.6546 176.5692 22 S 4.5326 9.0042 114.2650 61.8209 63.8438 175.2860 23 S 5.3298 8.3427 112.0500 56.4712 64.7522 173.3214 24 T 5.1816 7.8485 109.6819 60.5624 72.8958 172.4184 25 A 4.9009 8.8267 123.3822 50.6721 23.0982 175.1223 26 Q 4.6241 9.1537 122.3964 54.6291 30.7245 174.9679 27 V 4.5468 8.7225 125.4023 61.3283 33.5896 174.2232 28 Q 4.9664 9.3278 128.6101 54.6424 30.5299 175.1056 29 F 5.5011 8.4103 118.2191 55.2933 41.7389 173.1470 30 D 5.0850 9.1586 118.1593 51.8076 42.8249 174.6076 31 E 5.0550 8.5406 119.3709 54.2240 33.3099 172.6208 32 P 4.4636 0.0000 0.0000 62.8197 32.0138 175.8943 33 E 3.9556 8.5659 121.5212 56.5924 29.6657 177.6956 *38 V 3.8937 8.0403 123.9893 61.8619 31.6237 172.7170 39 P 4.4653 0.0000 0.0000 61.7335 32.2695 177.2503 40 I 3.9212 8.1702 121.2882 61.6876 37.9190 175.6772 41 L 4.5597 9.3736 125.3301 56.1592 43.7324 176.5386 42 K 5.2280 7.6410 115.4370 55.3507 37.2347 174.7289 43 Y 5.1327 9.3912 118.8308 56.1338 41.8885 174.8004 44 K 4.6173 9.0742 123.3991 54.4859 35.1086 174.6173 45 A 5.2745 9.1454 129.2537 50.5465 21.8329 175.3376 46 E 5.4197 9.6585 120.0991 54.5008 33.7817 175.0660 47 W 6.2127 8.9450 119.1687 55.7215 32.5536 173.7223 48 R 4.8222 8.9141 120.0793 54.8555 33.1862 174.3195 49 A 3.8233 9.5441 129.0280 51.3704 19.1133 178.6470 50 V 3.2723 8.1022 120.5805 64.5141 31.2628 177.6024 51 G 3.8387 7.7384 106.0647 45.0846 0.0000 172.8455 52 E 4.5257 7.7079 119.2862 54.8113 31.4979 175.5938 53 E 4.2486 8.4427 119.3591 57.6823 30.9620 177.1841 54 V 3.9878 7.2748 117.1484 61.5306 32.5200 174.9017 55 W 4.3239 8.6095 127.0065 56.5250 29.7297 176.1124 56 H 4.4186 8.7975 122.8433 55.6703 29.5159 174.4300 57 S 4.9475 7.7477 113.3292 57.3254 66.2208 172.9824 58 K 4.7345 9.0117 120.5731 55.3102 35.7867 174.5665 59 W 5.2249 8.7352 125.6074 55.6605 31.3751 175.1792 60 Y 4.9288 9.2540 119.6022 56.1392 42.2087 174.5417 61 D 4.7695 9.0521 122.8630 54.0211 42.4643 176.8729 62 A 4.4577 8.9948 129.9420 55.3585 18.7645 179.6512 63 K 4.0258 8.3252 115.2335 59.6466 32.3061 178.1893 64 E 4.1112 8.2468 117.9314 59.3028 29.9591 178.4645 65 A 4.4379 8.6580 122.1007 53.7341 18.6155 179.3531 66 S 4.4049 7.9010 114.9398 58.2238 62.3907 174.9655 *68 E 4.0010 8.0210 119.0992 55.9341 31.7571 176.3186 69 G 3.2418 7.6582 107.4847 46.5061 0.0000 173.1728 70 I 4.9580 6.8936 116.7423 58.9615 42.1604 174.9095 71 V 4.2446 8.6837 120.9652 59.6727 35.4891 174.4528 72 T 4.8720 8.2768 120.3786 61.9198 70.5178 173.7400 73 I 4.0177 8.4978 127.9756 60.0773 38.8629 175.4535 74 V 4.5466 7.8194 118.6879 59.8000 35.6047 175.5437 75 G 3.9059 8.7273 106.5524 46.4328 0.0000 173.8445 76 L 4.4776 7.9933 119.8797 53.9789 43.2577 176.0955 77 K 4.6162 9.3134 121.2058 54.9603 32.9534 175.5939 78 P 4.8927 0.0000 0.0000 62.2689 32.2915 175.5360 79 E 4.0362 8.2455 118.1584 56.8665 27.8995 175.3970 80 T 4.6093 8.1126 113.3214 61.9785 72.8739 174.5428 81 T 4.5548 8.2242 122.5423 63.3680 69.9803 173.3237 82 Y 4.9335 8.7144 123.0194 55.9566 42.2979 174.1969 83 A 5.3351 8.7828 123.9957 50.4133 21.8598 176.3610 84 V 5.6341 9.4030 121.1249 60.2044 35.2389 174.7982 85 R 5.0464 9.6743 118.8168 54.8275 33.4711 173.6905 86 L 5.3100 9.0165 119.1369 53.0875 46.1201 175.4549 87 A 4.9925 9.0261 122.0016 50.2216 23.2603 174.7742 88 A 4.9644 8.4703 119.9136 49.9018 22.6836 174.9649 89 L 5.1964 9.0061 122.7896 53.4655 45.0393 175.4387 90 N 5.1361 8.6334 123.7980 51.2168 39.9953 174.7143 91 G 3.5961 8.8820 107.9097 49.6374 0.0000 175.8190 92 K 4.0485 8.0800 120.6300 55.7774 32.3027 179.4848 93 G 3.8724 7.1084 102.4856 44.1340 0.0000 171.6376 94 L 4.6298 8.2752 122.8076 54.8321 42.7472 178.1805 95 G 4.3591 9.0496 116.7997 45.0971 0.0000 173.4944 96 E 4.2763 8.5333 117.6356 56.3239 30.2459 174.0988 97 I 3.9320 8.1398 123.2006 60.1625 38.7808 175.6970 98 S 4.5235 8.6737 121.7125 57.6362 63.9666 173.5714 99 A 4.2726 8.4252 121.5382 51.9416 18.9490 176.9733 100 A 4.6656 8.5191 121.5719 51.7426 19.9022 177.2249 101 S 4.8656 9.4653 118.2379 57.0213 65.5592 172.8194 102 E 5.2725 8.7791 124.0847 54.8612 31.3718 174.6519 103 F 5.1488 8.7848 120.2162 55.5209 42.2542 172.7754 104 K 5.1708 8.6621 119.9604 54.6421 34.4163 175.9019 105 T 4.4669 9.0019 117.5999 61.8315 70.5552 174.1101 106 Q 4.3019 9.0457 122.6879 54.9270 30.4078 173.8983 107 P 4.7608 0.0000 0.0000 61.8741 32.5622 177.1407 108 V 3.7669 8.2880 119.8131 63.4986 31.4089 175.8347 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 8 S 8.32 4.32 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 9 G 7.84 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 0.00 0.00 0.00 10 P 0.00 4.54 0.00 2.40 2.20 0.00 3.88 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 11 S 8.28 4.52 0.00 4.02 3.93 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 12 S 8.34 4.32 0.00 4.04 4.04 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 13 P 0.00 5.04 0.00 1.76 1.84 0.00 3.84 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 14 S 8.96 4.73 0.00 3.90 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 15 I 8.51 4.39 1.92 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 1.37 0.67 0.95 0.00 0.00 16 D 9.18 4.89 0.00 2.45 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 17 Q 7.70 4.49 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 18 V 8.45 4.55 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 0.23 0.00 0.00 0.90 0.00 0.00 19 E 9.19 4.42 0.00 1.77 1.56 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 2.14 2.31 0.00 20 P 0.00 4.55 0.00 2.13 2.07 0.00 3.19 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 21 Y 8.79 4.92 0.00 3.03 2.88 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 0.00 0.00 0.00 0.00 22 S 9.00 4.53 0.00 4.06 4.31 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 0.00 0.00 0.00 0.00 23 S 8.34 5.33 0.00 3.99 4.10 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 24 T 7.85 5.18 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 1.16 0.00 0.00 25 A 8.83 4.90 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 9.15 4.62 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 27 V 8.72 4.55 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 1.03 0.00 0.00 0.70 0.00 0.00 28 Q 9.33 4.97 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.39 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 29 F 8.41 5.50 0.00 2.97 2.88 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 0.00 0.00 0.00 0.00 30 D 9.16 5.09 0.00 2.69 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 31 E 8.54 5.05 0.00 2.47 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 0.00 2.65 2.59 0.00 32 P 0.00 4.46 0.00 2.12 2.03 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 33 E 8.57 3.96 0.00 1.98 1.93 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 2.33 2.25 0.00 *38 V 8.04 3.89 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 0.82 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.47 0.00 2.23 2.05 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 40 I 8.17 3.92 1.84 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 1.44 0.88 0.40 0.00 0.00 41 L 9.37 4.56 0.00 1.62 1.68 0.90 0.21 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 42 K 7.64 5.23 0.00 1.96 2.16 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.46 7.81 43 Y 9.39 5.13 0.00 2.96 2.65 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 0.00 0.00 0.00 0.00 44 K 9.07 4.62 0.00 0.79 0.99 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.82 0.21 7.81 45 A 9.15 5.27 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.66 5.42 0.00 1.77 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 2.12 2.09 0.00 47 W 8.94 6.21 0.00 3.67 3.45 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 48 R 8.91 4.82 0.00 0.67 0.66 0.00 2.62 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.19 0.00 49 A 9.54 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.10 3.27 1.90 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 0.53 0.00 0.00 0.83 0.00 0.00 51 G 7.74 3.84 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 0.00 0.00 0.00 52 E 7.71 4.53 0.00 1.83 1.69 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 2.19 2.13 0.00 53 E 8.44 4.25 0.00 1.88 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 0.00 2.17 2.17 0.00 54 V 7.27 3.99 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 0.76 0.00 0.00 0.90 0.00 0.00 55 W 8.61 4.32 0.00 3.11 3.06 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 0.00 0.00 0.00 0.00 56 H 8.80 4.42 0.00 1.40 2.17 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.75 4.95 0.00 3.75 3.64 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 58 K 9.01 4.73 0.00 2.29 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.63 1.35 7.81 59 W 8.74 5.22 0.00 3.14 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 60 Y 9.25 4.93 0.00 3.05 2.97 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 0.00 0.00 0.00 61 D 9.05 4.77 0.00 2.86 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 62 A 8.99 4.46 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 63 K 8.33 4.03 0.00 1.82 2.09 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.48 7.81 64 E 8.25 4.11 0.00 2.11 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 0.00 2.39 2.38 0.00 65 A 8.66 4.44 1.58 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 0.00 0.00 66 S 7.90 4.40 0.00 4.11 4.27 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 *68 E 8.02 4.00 0.00 1.91 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 2.15 2.26 0.00 69 G 7.66 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 0.00 0.00 0.00 70 I 6.89 4.96 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.83 0.00 0.00 71 V 8.68 4.24 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 0.21 0.00 0.00 0.54 0.00 0.00 72 T 8.28 4.87 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 1.14 0.00 0.00 73 I 8.50 4.02 1.33 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.60 -0.82 0.00 0.00 74 V 7.82 4.55 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 0.67 0.00 0.00 0.95 0.00 0.00 75 G 8.73 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 0.00 0.00 0.00 76 L 7.99 4.48 0.00 1.55 1.51 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.31 4.62 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.56 7.81 78 P 0.00 4.89 0.00 1.98 2.13 0.00 3.93 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 79 E 8.25 4.04 0.00 2.12 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 2.29 2.25 0.00 80 T 8.11 4.61 4.48 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 0.65 0.00 0.00 81 T 8.22 4.55 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 1.08 0.00 0.00 82 Y 8.71 4.93 0.00 1.43 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.78 5.34 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.40 5.63 2.62 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 1.17 0.00 0.00 1.18 0.00 0.00 85 R 9.67 5.05 0.00 1.84 1.98 0.00 2.27 0.00 0.00 2.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 86 L 9.02 5.31 0.00 1.36 1.29 0.48 0.55 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 87 A 9.03 4.99 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.47 4.96 1.16 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 0.00 0.00 89 L 9.01 5.20 0.00 1.96 1.75 1.09 0.70 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 90 N 8.63 5.14 0.00 3.05 2.88 0.00 0.00 6.52 6.90 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 91 G 8.88 3.60 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 0.00 0.00 0.00 92 K 8.08 4.05 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 93 G 7.11 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 94 L 8.28 4.63 0.00 1.79 1.64 0.91 0.99 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 95 G 9.05 4.36 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 0.00 96 E 8.53 4.28 0.00 1.77 1.76 0.00 0.00 0.00 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 1.88 0.00 97 I 8.14 3.93 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.73 0.00 0.00 98 S 8.67 4.52 0.00 3.87 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 99 A 8.43 4.27 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.52 4.67 1.44 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 0.00 0.00 101 S 9.47 4.87 0.00 3.86 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 0.00 102 E 8.78 5.27 0.00 2.01 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 2.21 2.25 0.00 103 F 8.78 5.15 0.00 3.15 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 0.00 104 K 8.66 5.17 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.41 7.81 105 T 9.00 4.47 4.64 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 1.50 0.00 0.00 106 Q 9.05 4.30 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 107 P 0.00 4.76 0.00 1.96 2.15 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 108 V 8.29 3.77 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 0.77 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.