NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5536 8.2816 114.6864 57.6051 62.7368 173.1356 2 L 3.7772 8.4306 131.0928 54.2465 42.3215 173.8170 3 S 4.7971 8.8110 120.9734 56.4117 64.6905 172.3207 4 I 4.5969 8.3119 126.9359 60.6135 41.2962 174.2711 5 G 4.1563 9.8447 111.6390 44.1763 0.0000 171.7928 6 R 4.8269 8.8471 115.2931 55.3737 33.3700 175.8746 7 T 4.4863 8.5844 107.7190 62.7277 70.3044 174.0106 8 C 5.2928 7.6696 119.6827 58.1850 31.7949 173.3402 9 W 5.0289 9.9129 123.2990 54.6976 32.9278 174.2464 10 A 5.2135 8.8122 123.6556 50.2319 21.6286 175.4715 11 I 4.4747 8.8409 122.6512 59.4706 39.2625 176.6812 12 A 3.9296 8.8807 130.4674 53.5693 18.7752 176.2923 13 E 4.4998 7.5549 115.9138 54.1044 32.5568 175.4071 14 G 2.9721 7.9491 110.5195 45.5655 0.0000 171.7943 15 Y 5.1039 8.1318 125.3589 56.8866 42.0934 173.4838 16 I 4.2885 7.9792 127.6733 58.7926 38.8408 173.3519 17 P 4.6515 0.0000 0.0000 62.7492 31.7562 176.3678 18 P 4.0131 0.0000 0.0000 64.3312 31.7712 175.7441 19 Y 4.0454 7.7033 114.8435 58.2359 34.9093 170.1047 *31 E 4.6480 8.1393 119.8365 55.9670 31.8548 174.5970 32 T 5.0014 7.7727 114.6343 61.5105 72.2644 172.4126 33 V 4.6798 8.5841 125.8029 61.2067 34.4275 173.7941 34 C 4.8820 9.3934 126.6997 58.1153 30.2983 172.6765 35 I 4.7237 8.8472 125.2152 59.2064 39.9134 174.2373 36 L 4.7538 8.9315 129.0487 53.2648 44.6323 174.4943 37 N 5.0799 9.3100 125.9413 52.0387 39.7202 174.4638 38 A 4.2927 8.6951 127.6421 52.2399 19.5003 177.2573 39 G 4.0087 8.0296 106.4912 44.0484 0.0000 174.1946 40 D 4.7810 8.2203 115.8182 54.1823 41.0154 175.8370 41 E 4.8360 7.6412 119.8778 53.8488 32.4742 175.1806 42 D 4.6947 8.8598 125.2341 54.8783 41.9156 175.5368 43 A 4.6079 8.9697 124.9014 50.9583 20.5493 175.9535 44 H 4.8993 9.3666 121.7397 54.8646 29.8178 174.5734 45 V 4.5063 8.8418 124.9134 61.7363 33.4450 174.4846 46 E 5.3134 9.2793 126.4210 54.6717 33.0570 174.6879 47 I 5.1054 9.1953 125.3252 59.9152 40.0374 174.6116 48 T 5.1366 9.0590 123.5969 61.8666 71.4605 173.2011 49 I 4.8198 8.8011 126.8605 59.8286 39.6946 174.3746 50 Y 4.8600 9.0390 124.3904 56.4908 41.0495 174.2432 51 Y 5.2461 8.3949 118.2136 56.3198 41.9532 175.7000 52 S 4.5076 9.1283 114.4157 60.2481 63.7397 174.8575 53 D 4.8678 7.9520 118.3013 52.3418 40.1709 174.4149 54 K 4.4606 7.7229 116.3748 56.3688 34.8124 174.7282 55 E 4.2498 8.5367 119.4857 55.3331 29.9983 175.4082 56 P 4.4950 0.0000 0.0000 62.7454 32.1482 175.7272 57 V 4.3478 9.8467 119.2845 59.8482 33.7585 176.0025 58 G 3.8386 7.8602 113.3102 44.6228 0.0000 169.2869 59 P 4.8473 0.0000 0.0000 62.5120 32.7691 175.4012 60 Y 4.4459 9.3789 121.0349 57.4782 39.1875 174.6447 61 R 5.3393 8.5257 123.2404 54.6537 32.8774 175.1462 62 L 4.5681 8.5118 120.8855 55.4126 44.3106 173.6101 63 T 5.0736 8.4884 116.2167 61.8235 71.2689 174.0011 64 V 4.2391 8.5028 126.3291 60.4635 33.0576 173.4622 65 P 4.9085 0.0000 0.0000 61.8996 32.3144 176.2011 66 A 3.9137 8.8620 123.2868 53.3417 18.7328 178.1297 67 R 3.8726 8.3018 120.2654 57.1166 28.3640 176.3301 68 R 4.7640 7.9955 114.2663 55.0135 35.2049 175.1926 69 T 4.9964 8.4261 115.2790 60.4795 70.4120 173.3024 70 K 4.6105 8.8976 126.2160 55.1470 36.0325 174.4852 71 H 5.0026 8.9171 124.4985 54.7834 30.1015 174.6046 72 V 4.1581 8.9305 124.8048 60.9826 33.5973 174.9180 73 R 4.5675 8.3471 128.0708 55.2832 30.9846 177.7787 74 F 4.2461 9.0849 123.2231 60.4659 39.1972 177.2972 75 N 4.3241 8.3354 118.0458 56.0685 38.7999 174.8042 76 D 4.7172 7.9039 115.4439 53.8325 41.4743 176.1206 77 L 4.4056 7.6969 121.7609 54.2787 41.6121 177.0572 78 N 5.4806 8.7775 117.5954 51.7357 39.0176 173.3159 79 D 4.7575 8.1689 118.1510 51.8660 43.3470 173.6993 80 P 4.2239 0.0000 0.0000 65.2624 31.7980 176.2168 81 A 4.6410 7.3400 119.5614 49.9238 21.8952 173.4277 82 P 4.9530 0.0000 0.0000 62.2141 32.3116 176.2314 83 I 4.2150 8.1990 124.0442 59.9525 37.7805 174.2418 84 P 4.4553 0.0000 0.0000 63.4545 31.7489 175.9580 85 H 4.3124 8.8155 118.7800 55.5364 29.6630 173.8324 86 D 4.1544 8.2672 117.3369 55.4304 40.0223 173.4673 87 T 4.7967 7.4409 111.3178 61.3089 72.2162 173.5557 88 D 5.0598 8.9148 126.2075 54.4477 41.7889 175.4142 89 F 5.0737 8.2729 116.7347 56.0998 41.6505 172.8480 90 A 4.7987 8.8607 119.0310 50.6035 22.8154 175.4406 91 S 5.3332 9.2075 113.8003 56.5995 67.0026 172.9422 92 V 4.9378 9.0426 121.5563 61.3216 34.2989 174.2133 93 I 5.0195 9.4689 128.6575 59.8179 39.7291 174.5425 94 Q 5.3168 9.3367 126.4047 54.3066 32.0232 174.7562 95 S 5.2900 9.1454 115.8701 55.7209 65.3964 173.9591 96 N 4.5669 9.0514 121.8946 54.9575 37.5962 175.5562 97 V 4.5731 7.1861 110.2521 58.2000 35.2812 173.4660 98 P 4.6925 0.0000 0.0000 63.2299 31.9148 175.6131 99 I 4.9100 9.0530 116.2713 59.3656 42.0351 173.7562 100 V 4.6698 8.7190 122.6403 61.0141 33.8244 174.3790 101 V 4.3681 5.9768 126.4495 60.7592 33.8988 174.1147 102 Q 4.5368 9.0906 128.6940 54.3881 32.2703 173.1639 103 H 5.5101 8.8470 125.6328 54.5483 31.8170 173.9095 104 T 4.1672 8.3974 115.4397 61.7969 68.3462 173.7674 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 S 8.28 4.55 0.00 3.92 3.88 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 2 L 8.43 3.78 0.00 1.85 1.55 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.81 4.80 0.00 3.85 3.74 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 4 I 8.31 4.60 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.95 0.00 0.00 5 G 9.84 4.16 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 0.00 6 R 8.85 4.83 0.00 1.63 1.83 0.00 2.26 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 7 T 8.58 4.49 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 C 7.67 5.29 0.00 2.72 2.77 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 0.00 0.00 0.00 9 W 9.91 5.03 0.00 3.20 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 10 A 8.81 5.21 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 11 I 8.84 4.47 1.91 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 1.22 0.93 0.80 0.00 0.00 12 A 8.88 3.93 1.23 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 0.00 0.00 13 E 7.55 4.50 0.00 1.88 1.75 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 2.16 2.23 0.00 14 G 7.95 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 0.00 0.00 0.00 15 Y 8.13 5.10 0.00 2.83 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 16 I 7.98 4.29 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.42 0.00 0.00 17 P 0.00 4.65 0.00 2.06 2.13 0.00 3.62 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 2.06 2.23 0.00 18 P 0.00 4.01 0.00 2.13 2.13 0.00 3.75 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 2.17 2.57 0.00 19 Y 7.70 4.05 0.00 3.02 3.36 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 *31 E 8.14 4.65 0.00 2.17 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 2.35 2.43 0.00 32 T 7.77 5.00 4.20 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 0.00 0.00 1.07 0.00 0.00 33 V 8.58 4.68 1.62 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 0.81 0.00 0.00 0.79 0.00 0.00 34 C 9.39 4.88 0.00 2.74 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 35 I 8.85 4.72 1.78 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 0.93 0.70 0.82 0.00 0.00 36 L 8.93 4.75 0.00 1.63 1.42 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.31 5.08 0.00 2.81 2.90 0.00 0.00 6.66 8.01 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 38 A 8.70 4.29 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 39 G 8.03 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 0.00 0.00 0.00 40 D 8.22 4.78 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 41 E 7.64 4.84 0.00 1.93 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 2.15 2.29 0.00 42 D 8.86 4.69 0.00 2.54 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 43 A 8.97 4.61 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 44 H 9.37 4.90 0.00 3.13 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.84 4.51 2.22 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 0.99 0.00 0.00 1.00 0.00 0.00 46 E 9.28 5.31 0.00 1.97 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 2.26 2.30 0.00 47 I 9.20 5.11 2.00 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 1.33 0.74 1.06 0.00 0.00 48 T 9.06 5.14 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 49 I 8.80 4.82 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.20 0.00 0.00 50 Y 9.04 4.86 0.00 2.74 2.82 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 51 Y 8.39 5.25 0.00 3.10 2.91 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 52 S 9.13 4.51 0.00 4.04 4.08 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 53 D 7.95 4.87 0.00 2.75 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 54 K 7.72 4.46 0.00 1.81 1.76 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.43 7.81 55 E 8.54 4.25 0.00 2.00 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 2.34 2.26 0.00 56 P 0.00 4.50 0.00 1.65 0.82 0.00 3.43 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 1.80 1.83 0.00 57 V 9.85 4.35 2.33 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 1.02 0.00 0.00 1.03 0.00 0.00 58 G 7.86 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 59 P 0.00 4.85 0.00 2.13 2.09 0.00 3.70 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 1.95 1.99 0.00 60 Y 9.38 4.45 0.00 2.95 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 R 8.53 5.34 0.00 1.69 1.85 0.00 3.25 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 62 L 8.51 4.57 0.00 1.77 1.75 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.49 5.07 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 1.27 0.00 0.00 64 V 8.50 4.24 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 1.00 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.91 0.00 1.97 1.97 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.86 3.91 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 67 R 8.30 3.87 0.00 1.96 2.01 0.00 3.13 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 68 R 8.00 4.76 0.00 1.84 1.73 0.00 3.23 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 69 T 8.43 5.00 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 1.19 0.00 0.00 70 K 8.90 4.61 0.00 1.77 1.52 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.39 7.81 71 H 8.92 5.00 0.00 3.01 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.93 4.16 1.79 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 0.61 0.00 0.00 0.82 0.00 0.00 73 R 8.35 4.57 0.00 2.00 1.84 0.00 3.19 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 74 F 9.08 4.25 0.00 3.29 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 75 N 8.34 4.32 0.00 2.68 2.87 0.00 0.00 6.91 8.47 0.00 0.00 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 D 7.90 4.72 0.00 2.80 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 77 L 7.70 4.41 0.00 1.69 1.37 0.66 0.28 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 78 N 8.78 5.48 0.00 2.81 2.89 0.00 0.00 6.09 8.06 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 79 D 8.17 4.76 0.00 2.62 2.58 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 80 P 0.00 4.22 0.00 2.03 1.97 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 81 A 7.34 4.64 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 82 P 0.00 4.95 0.00 2.00 2.06 0.00 3.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 83 I 8.20 4.22 1.61 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 0.19 0.00 0.00 84 P 0.00 4.46 0.00 2.08 2.05 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 85 H 8.82 4.31 0.00 2.80 2.88 0.00 5.87 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 86 D 8.27 4.15 0.00 2.69 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 87 T 7.44 4.80 4.40 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 1.41 0.00 0.00 88 D 8.91 5.06 0.00 2.66 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 89 F 8.27 5.07 0.00 2.62 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 90 A 8.86 4.80 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 91 S 9.21 5.33 0.00 4.05 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 92 V 9.04 4.94 2.36 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 1.22 0.00 0.00 1.01 0.00 0.00 93 I 9.47 5.02 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.98 0.00 0.00 94 Q 9.34 5.32 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 9.15 5.29 0.00 3.90 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 96 N 9.05 4.57 0.00 2.90 2.99 0.00 0.00 5.86 7.68 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 97 V 7.19 4.57 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 0.74 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.69 0.00 2.08 2.13 0.00 3.65 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 2.06 2.12 0.00 99 I 9.05 4.91 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.98 0.00 0.00 100 V 8.72 4.67 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 0.82 0.00 0.00 1.02 0.00 0.00 101 V 5.98 4.37 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 0.58 0.00 0.00 0.21 0.00 0.00 102 Q 9.09 4.54 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 103 H 8.85 5.51 0.00 3.17 3.18 0.00 5.74 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 0.00 104 T 8.40 4.17 4.18 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.