NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.1457 8.3049 120.3339 55.4923 33.2202 175.9101 6 C 4.4060 8.1986 119.8916 55.0419 38.3445 171.9087 7 Y 4.2100 9.0053 125.1037 56.1111 38.9752 173.4960 8 P 3.2407 0.0000 0.0000 64.2562 31.6960 176.1966 9 G 4.0544 8.5148 112.2292 45.0769 0.0000 174.0871 10 Q 4.2978 7.5018 113.8368 57.4251 30.6925 176.6642 11 A 4.2375 8.2666 121.1904 54.3140 18.8861 177.2575 12 F 5.0437 7.1350 108.9881 55.1920 40.8588 173.6890 13 Q 4.3990 8.8333 120.6464 56.4212 29.0400 175.4398 14 V 4.8316 7.9915 119.5546 59.9539 34.2814 173.4676 15 P 4.3736 0.0000 0.0000 62.6516 31.6942 175.9385 16 A 4.6685 8.5266 124.0003 52.9933 19.7535 177.4407 17 L 3.8343 8.6863 120.3104 54.7495 39.0977 173.6360 18 P 4.2298 0.0000 0.0000 65.8412 31.2111 178.2786 19 A 4.0899 8.6898 118.9555 54.4053 18.3029 178.2725 20 C 4.4974 8.1820 114.3534 58.4310 34.7822 176.2109 21 R 3.8843 7.6434 120.6367 58.5933 29.7979 177.0690 22 P 4.2919 0.0000 0.0000 65.4254 31.2890 178.1793 23 L 3.8949 7.3502 116.9728 58.0983 42.0765 178.7079 24 L 3.9108 8.0764 120.2127 58.3608 41.7354 179.2086 25 R 4.1338 7.7937 116.7045 58.9342 30.2313 178.8445 26 L 4.1485 7.8651 118.5711 57.9832 41.7569 179.4560 27 Q 4.0336 8.3622 118.5564 58.9471 28.4604 176.1401 28 C 4.5749 8.2499 113.6239 56.8518 41.7844 173.8361 29 N 4.8527 7.7476 117.6117 52.4654 37.3324 174.6893 30 G 3.8414 8.2690 105.0658 46.8007 0.0000 174.6684 31 S 4.3557 7.7133 115.2727 57.5436 63.4655 173.8689 32 Q 4.0994 8.3858 123.2459 56.0004 29.3787 175.4382 33 V 4.3256 8.0620 118.3107 58.8829 33.5772 174.6972 34 P 4.3990 0.0000 0.0000 62.4492 33.1568 177.3434 35 E 3.9897 8.8384 120.4677 59.5125 29.4952 179.6450 36 A 4.0142 7.9428 120.4397 55.2342 18.6425 179.8259 37 V 3.7040 7.7029 110.2809 63.7545 31.7472 178.3751 38 L 3.9013 7.7446 119.9432 58.1993 41.9072 178.8255 39 R 3.8645 8.2857 118.9408 59.8490 30.0727 178.1939 40 D 4.3372 8.0814 118.2288 57.0874 40.7836 178.0115 41 C 4.2364 8.0681 118.7630 59.9650 40.8354 175.0280 42 C 4.2054 8.3409 118.2441 59.8383 39.5120 175.6621 43 Q 3.8627 8.0163 120.4618 59.4834 29.0444 178.4163 44 Q 4.0529 7.8746 118.4526 58.9854 28.7493 178.8514 45 L 4.0597 8.0782 119.7571 57.7512 41.4199 179.3689 46 A 4.0591 8.2439 120.1503 55.5205 18.3360 179.0371 47 H 4.4588 7.6482 112.2607 57.2686 29.2723 176.0771 48 I 4.2535 7.1248 121.7368 60.0947 38.0481 176.0686 49 S 4.4605 8.5004 118.1935 57.9775 63.8868 174.7985 50 E 3.8395 9.0229 121.1560 59.8556 28.8080 179.8247 51 W 4.2115 8.3162 117.6491 58.5945 29.4279 176.8445 52 C 5.0517 8.3607 114.4002 56.4823 35.2055 175.9202 53 R 3.8131 7.8953 121.0239 59.5567 29.6820 179.3824 54 C 4.4699 8.1867 115.9757 59.6532 40.5902 176.2141 55 G 3.5279 8.0431 106.8646 47.6822 0.0000 175.2901 56 A 2.5800 7.7048 123.7294 54.4162 18.2438 179.8132 57 L 3.8570 7.6229 116.9269 57.8637 41.6046 178.9364 58 Y 3.8667 8.1520 119.6039 60.7620 38.7505 178.0897 59 S 4.2693 8.2715 113.9152 61.6817 62.4942 175.6626 60 M 3.9845 8.0352 120.6589 58.6810 31.9852 177.8635 61 L 3.7582 7.8001 120.2567 58.0305 42.0956 178.3344 62 D 4.8150 7.9674 119.4117 57.0660 41.2305 178.2645 63 S 4.1718 8.2136 115.5629 62.0838 62.8115 176.6947 64 M 3.9548 8.1552 121.1621 58.7073 31.4506 178.5132 65 Y 4.4178 7.8378 115.8246 60.7817 38.2013 177.8232 66 K 4.2882 8.4341 118.3492 58.0644 32.3850 178.4523 67 E 3.9316 8.2509 119.5726 57.9896 30.0799 176.0301 68 H 3.3414 7.7206 109.3606 56.2846 29.1850 173.3288 *78 G 3.7372 7.9265 108.8135 45.0788 0.0000 173.8601 79 A 3.7897 8.4706 122.0110 53.8330 18.5758 177.8737 80 F 4.5224 7.2805 113.1126 54.6278 40.0256 171.4750 81 P 4.4631 0.0000 0.0000 63.4749 31.5254 177.0849 82 R 4.0448 8.9310 120.8822 56.6944 27.3247 176.3301 83 C 5.0576 7.7946 114.5625 55.0660 42.5133 174.4824 84 R 4.4007 8.2920 122.2932 55.2531 31.8102 177.4356 85 R 3.9670 8.7464 123.4469 60.0169 30.1137 178.5244 86 E 3.9613 8.1030 117.3159 59.6700 29.6042 179.6881 87 V 3.6926 7.6976 111.8042 63.8238 31.6488 178.5955 88 V 3.2974 7.9738 118.9021 65.8672 31.4279 178.1559 89 K 3.9504 7.8036 117.5195 59.1772 32.4334 178.8378 90 L 3.9595 7.5770 121.0404 58.2359 42.2720 178.7393 91 T 3.9615 8.4014 115.9494 66.5551 68.0794 176.5641 92 A 3.9196 8.0392 122.5372 55.1351 18.3614 179.4317 93 A 4.1349 8.0955 118.7601 53.9902 18.3098 178.8157 94 S 4.7096 7.8168 110.7855 57.6564 63.9216 176.2160 95 I 3.7138 7.5750 124.4382 64.9734 36.5387 178.1605 96 T 3.9167 7.8846 113.5662 64.7668 67.1619 176.2000 97 A 4.0548 7.8581 122.4713 55.3221 18.3576 179.9349 98 V 3.5501 7.7350 109.6284 64.3465 31.6748 177.4239 99 C 4.4677 8.2510 114.0459 56.5821 40.6128 173.4257 100 R 3.6474 7.9026 118.9948 57.3861 27.8575 176.1396 101 L 4.9066 8.3017 117.5687 52.3050 43.4047 175.8799 102 P 4.3315 0.0000 0.0000 62.3721 32.5984 175.4181 103 I 4.6722 8.3014 113.9183 59.2305 41.4228 174.2395 104 V 4.2340 7.7077 116.6358 59.6599 32.0853 176.5515 105 V 3.7043 9.1148 127.9640 66.0826 32.0986 175.2848 106 D 4.4875 7.3283 117.7218 53.1694 41.5325 175.4950 107 A 4.5929 8.9760 120.5588 55.6023 18.6442 179.2721 108 S 4.1462 7.8808 110.6147 59.8537 62.9384 175.8645 109 G 3.7541 8.5299 107.9554 44.7677 0.0000 172.7888 110 D 4.2798 7.9825 120.6741 54.7862 41.5171 176.6308 111 G 3.9897 8.4861 110.4023 45.8184 0.0000 172.0306 112 A 4.4412 7.8826 120.8270 51.6506 23.2062 176.6244 113 Y 4.6721 8.5535 113.4828 57.6885 38.8064 176.0727 114 V 4.5075 7.4964 118.5004 61.6166 34.8809 175.2317 115 C 4.7473 9.0918 125.4926 55.1061 36.5952 174.6432 116 K 3.9135 8.4070 126.4042 59.5958 32.0659 178.6945 117 D 4.4203 8.0441 119.5586 56.4684 39.5327 178.3022 118 V 3.9266 7.9467 119.0305 65.6078 31.4560 177.6938 119 A 4.2375 8.0290 119.0935 54.0507 18.5351 178.3270 120 A 4.5280 7.6436 117.8648 50.8214 19.9251 175.8354 121 Y 4.2541 7.2486 120.3465 58.3067 39.1573 174.9362 122 P 3.3391 0.0000 0.0000 62.3020 30.9584 175.9315 123 D 4.4091 7.0923 118.3707 56.5435 41.5713 176.5558 124 A 4.1804 7.8368 128.6370 52.7253 18.4403 177.4239 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 M 8.30 4.15 0.00 1.08 1.81 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 6 C 8.20 4.41 0.00 3.19 3.28 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 0.00 0.00 0.00 0.00 7 Y 9.01 4.21 0.00 2.98 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 8 P 0.00 3.24 0.00 1.99 2.00 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 9 G 8.51 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.50 4.30 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 11 A 8.27 4.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.13 5.04 0.00 3.17 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 13 Q 8.83 4.40 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 14 V 7.99 4.83 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 0.94 0.00 0.00 1.05 0.00 0.00 15 P 0.00 4.37 0.00 2.25 2.08 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 16 A 8.53 4.67 1.38 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 0.00 0.00 0.00 17 L 8.69 3.83 0.00 1.78 1.63 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.23 0.00 2.16 2.12 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 19 A 8.69 4.09 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 20 C 8.18 4.50 0.00 3.08 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 21 R 7.64 3.88 0.00 2.00 1.95 0.00 3.40 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 1.63 1.62 0.00 22 P 0.00 4.29 0.00 2.25 2.29 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 23 L 7.35 3.89 0.00 1.81 1.91 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.08 3.91 0.00 1.77 1.84 0.80 0.77 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 25 R 7.79 4.13 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 26 L 7.87 4.15 0.00 1.89 1.70 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.36 4.03 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 28 C 8.25 4.57 0.00 3.06 3.16 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 29 N 7.75 4.85 0.00 2.81 3.06 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.27 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 31 S 7.71 4.36 0.00 4.02 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 32 Q 8.39 4.10 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 33 V 8.06 4.33 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 0.78 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.40 0.00 2.15 1.96 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 35 E 8.84 3.99 0.00 1.97 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 0.00 2.39 2.32 0.00 36 A 7.94 4.01 1.31 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 0.00 0.00 37 V 7.70 3.70 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 0.96 0.00 0.00 0.92 0.00 0.00 38 L 7.74 3.90 0.00 1.78 1.84 0.91 0.62 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 39 R 8.29 3.86 0.00 1.95 2.11 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 40 D 8.08 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 41 C 8.07 4.24 0.00 3.19 3.23 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 42 C 8.34 4.21 0.00 2.99 3.11 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 0.00 0.00 0.00 43 Q 8.02 3.86 0.00 2.03 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 44 Q 7.87 4.05 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 45 L 8.08 4.06 0.00 1.81 1.70 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.24 4.06 1.38 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 0.00 0.00 0.00 47 H 7.65 4.46 0.00 3.23 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.12 4.25 2.02 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 1.49 0.56 1.00 0.00 0.00 49 S 8.50 4.46 0.00 4.15 4.12 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 50 E 9.02 3.84 0.00 1.95 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 2.54 2.39 0.00 51 W 8.32 4.21 0.00 3.28 3.31 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 52 C 8.36 5.05 0.00 3.08 3.30 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 53 R 7.90 3.81 0.00 1.87 1.94 0.00 3.53 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 54 C 8.19 4.47 0.00 2.96 3.43 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 55 G 8.04 3.53 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 0.00 56 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.62 3.86 0.00 1.86 1.68 0.89 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 58 Y 8.15 3.87 0.00 3.22 3.13 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 59 S 8.27 4.27 0.00 4.28 4.12 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 60 M 8.04 3.98 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 61 L 7.80 3.76 0.00 1.52 1.31 0.51 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.97 4.81 0.00 3.04 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 63 S 8.21 4.17 0.00 4.07 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 64 M 8.16 3.95 0.00 1.79 2.23 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.50 0.00 65 Y 7.84 4.42 0.00 3.36 3.11 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 0.00 0.00 0.00 66 K 8.43 4.29 0.00 2.03 1.92 0.00 1.99 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 67 E 8.25 3.93 0.00 1.91 1.97 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 2.24 2.28 0.00 68 H 7.72 3.34 0.00 3.38 3.71 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 7.93 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 0.00 0.00 0.00 79 A 8.47 3.79 0.68 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 0.00 0.00 80 F 7.28 4.52 0.00 3.10 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 81 P 0.00 4.46 0.00 2.04 1.99 0.00 3.75 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 1.98 2.04 0.00 82 R 8.93 4.04 0.00 2.13 2.11 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 83 C 7.79 5.06 0.00 3.17 2.98 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 84 R 8.29 4.40 0.00 1.85 2.20 0.00 3.16 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 85 R 8.75 3.97 0.00 1.87 1.98 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 86 E 8.10 3.96 0.00 2.09 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 2.40 2.47 0.00 87 V 7.70 3.69 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 0.74 0.00 0.00 1.00 0.00 0.00 88 V 7.97 3.30 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 0.05 0.00 0.00 0.62 0.00 0.00 89 K 7.80 3.95 0.00 2.21 2.06 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.69 1.45 7.81 90 L 7.58 3.96 0.00 1.90 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.40 3.96 4.26 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 1.16 0.00 0.00 92 A 8.04 3.92 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 93 A 8.10 4.13 1.48 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 0.00 0.00 94 S 7.82 4.71 0.00 3.98 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 95 I 7.58 3.71 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.89 0.00 0.00 96 T 7.88 3.92 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 1.27 0.00 0.00 97 A 7.86 4.05 1.38 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 0.00 0.00 0.00 98 V 7.73 3.55 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 0.80 0.00 0.00 0.95 0.00 0.00 99 C 8.25 4.47 0.00 3.12 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 0.00 100 R 7.90 3.65 0.00 1.94 1.92 0.00 3.16 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 101 L 8.30 4.91 0.00 1.66 1.60 0.95 0.93 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 0.00 102 P 0.00 4.33 0.00 1.74 1.39 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.84 0.00 103 I 8.30 4.67 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.84 0.00 0.00 104 V 7.71 4.23 1.28 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 -0.45 0.00 0.00 -0.71 0.00 0.00 105 V 9.11 3.70 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 0.71 0.00 0.00 0.86 0.00 0.00 106 D 7.33 4.49 0.00 2.92 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 0.00 107 A 8.98 4.59 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 0.00 108 S 7.88 4.15 0.00 3.94 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 0.00 109 G 8.53 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 0.00 110 D 7.98 4.28 0.00 2.56 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 0.00 111 G 8.49 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 0.00 0.00 0.00 112 A 7.88 4.44 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 0.00 113 Y 8.55 4.67 0.00 2.95 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 0.00 114 V 7.50 4.51 2.13 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 0.81 0.00 0.00 0.96 0.00 0.00 115 C 9.09 4.75 0.00 2.98 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 0.00 116 K 8.41 3.91 0.00 1.99 2.08 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 117 D 8.04 4.42 0.00 2.78 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 0.00 118 V 7.95 3.93 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 1.01 0.00 0.00 1.08 0.00 0.00 119 A 8.03 4.24 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 0.00 120 A 7.64 4.53 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 0.00 121 Y 7.25 4.25 0.00 2.89 2.85 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 0.00 122 P 0.00 3.34 0.00 1.75 0.93 0.00 3.37 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 123 D 7.09 4.41 0.00 2.86 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 0.00 124 A 7.84 4.18 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.