NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2797 8.1727 120.1275 57.2951 32.9734 174.2450 6 S 4.7321 7.6576 113.7832 56.7647 65.4863 173.7074 7 C 4.3442 9.1005 124.6334 55.6055 41.3848 171.2305 8 P 4.6455 0.0000 0.0000 62.0268 32.0248 176.2934 9 N 4.5107 8.8000 120.6237 53.3330 39.3801 172.7244 10 P 4.2832 0.0000 0.0000 65.4454 32.6318 176.3898 11 G 4.0608 9.2857 103.1584 44.2803 0.0000 176.0732 12 E 4.6613 8.1862 117.3831 54.6857 33.2497 174.0948 13 I 4.3980 8.0244 121.1382 60.3567 39.6717 176.3377 14 R 4.0483 8.5691 124.3797 57.6436 29.7818 172.4440 15 N 4.1116 8.9495 118.5069 52.6748 35.9936 173.7972 16 G 4.2366 7.5573 105.7388 45.3322 0.0000 173.0220 17 Q 4.5802 8.9897 117.3104 54.2683 33.3583 174.6665 18 I 4.6124 8.4611 124.4823 60.7971 38.4533 174.5928 19 D 4.7265 9.1311 127.7589 52.5744 43.0217 175.7789 20 V 4.6266 7.8439 123.8260 60.5670 29.9891 172.9377 21 P 4.3939 0.0000 0.0000 64.6649 32.1624 178.0872 22 G 4.0348 7.5726 106.6569 44.5797 0.0000 173.1433 23 G 3.9738 8.1793 109.2189 44.5938 0.0000 173.9125 24 I 4.7937 7.9100 111.9205 60.5013 38.4139 175.3459 25 L 4.3685 7.7523 121.0043 53.9602 42.4738 175.8151 26 F 4.1328 7.9518 121.2414 60.4866 39.3210 175.7086 27 G 3.2399 8.1689 116.6606 44.6492 0.0000 173.3703 28 A 4.3788 7.4292 121.6418 51.7338 20.1562 176.5660 29 T 5.2877 8.4094 115.8120 61.6829 72.1849 173.4400 30 I 4.4453 8.4890 118.8344 59.2495 40.3659 174.7801 31 S 4.6194 8.1288 119.6688 56.7542 66.0075 173.0033 32 F 5.7370 8.0030 120.0418 56.2796 42.4608 174.4101 33 S 4.7256 8.5826 114.7642 57.9537 66.7982 171.9393 34 C 5.4191 8.4282 116.2351 54.8068 38.5063 174.0699 35 N 4.6233 8.8401 118.4017 53.1350 39.3719 175.2564 36 T 3.6896 8.3986 118.3772 65.8424 69.0089 174.5791 37 G 3.9744 9.2319 112.9671 45.1074 0.0000 172.0694 38 Y 5.1043 7.5356 115.6730 55.7432 42.1589 174.9830 39 K 4.6843 9.3701 120.7422 54.6945 35.6950 175.5268 40 L 4.6164 8.7395 125.9863 55.4101 43.2463 176.2397 41 F 4.4122 10.1146 127.2235 60.5028 41.9297 172.5237 42 G 3.8508 8.3923 115.0402 44.1327 0.0000 171.5800 43 S 4.2310 8.6712 117.4890 59.0880 63.2766 174.7446 44 T 4.3854 8.6736 114.6570 62.3844 69.6649 174.0590 45 S 4.0907 7.0157 114.7116 57.9144 66.0554 176.0911 46 S 4.9357 7.7409 116.4967 56.5075 65.6881 172.1949 47 F 5.3037 9.5703 128.7515 56.6281 41.8771 174.0249 48 C 4.7861 9.0999 127.7447 56.2443 41.8617 173.3264 49 L 4.3189 8.3681 122.0632 55.5413 41.0413 177.4582 *56 Q 3.8766 7.6721 117.8040 55.3542 29.6226 174.8692 57 W 4.5736 8.2921 120.9565 56.9237 29.8413 176.5366 58 S 4.4036 9.0936 116.8626 61.1414 62.9353 174.2192 59 D 5.0354 7.8535 120.9362 50.8431 42.7747 174.6622 60 P 4.6725 0.0000 0.0000 61.6682 32.5805 175.8930 61 L 3.5687 8.0692 118.9841 54.0716 41.9186 175.6432 62 P 4.7083 0.0000 0.0000 62.0154 33.8113 173.9759 63 E 4.7804 9.0176 118.2365 54.8142 33.4676 174.9425 64 C 5.3380 8.6717 117.4509 55.6437 41.0318 173.9086 65 R 4.8454 8.7096 123.4621 54.2324 32.5670 175.4422 66 E 3.3372 8.3551 123.5428 55.5033 30.2046 176.2341 67 I 3.9306 7.8617 128.7330 61.3839 37.9213 175.0249 68 Y 4.9352 8.4275 122.4472 56.4407 41.9266 174.9538 69 C 5.2594 8.9448 119.2572 53.6257 41.9036 172.4415 70 P 4.5471 0.0000 0.0000 62.2936 31.5275 175.7639 71 A 4.2894 8.7599 121.8605 52.1245 18.6372 176.1411 72 P 3.6149 0.0000 0.0000 61.4686 31.9432 174.6102 73 P 4.3923 0.0000 0.0000 62.8156 32.0633 175.5413 74 Q 4.7046 8.2092 118.1824 54.3163 30.9773 174.7865 75 I 4.5970 7.7103 111.5779 58.9567 40.7682 174.5730 76 D 4.4113 8.3436 120.8086 54.9245 41.7375 176.3958 77 N 3.8340 8.3555 118.7992 53.3727 35.8252 173.8860 78 G 4.1182 6.9835 100.1018 45.6873 0.0000 173.1869 79 I 4.8659 8.1458 115.5064 58.9304 41.8681 173.7057 80 I 4.4925 7.9824 122.3521 59.3930 38.8314 175.8074 81 Q 3.8848 8.5582 127.0956 56.2596 29.1229 176.9853 82 G 3.8934 8.5579 111.0981 46.5575 0.0000 171.7905 83 E 4.1279 7.7655 118.6654 56.1780 30.5987 176.8073 84 R 4.3522 8.5036 126.1821 55.2752 31.8512 176.3362 85 D 4.3838 8.4579 117.6965 57.3305 40.9965 176.4740 86 H 5.1147 7.5758 112.5626 54.0726 32.8363 173.1102 87 Y 4.7892 8.6204 116.3654 56.9885 41.7076 175.1346 88 G 4.3883 8.6485 113.5154 44.2967 0.0000 172.0516 89 Y 4.2635 8.4677 119.7667 59.2478 39.0505 178.9442 90 R 3.7017 7.9891 123.1483 57.0839 30.1678 177.0270 91 Q 4.4900 7.8311 117.2245 56.1932 29.8094 175.7816 92 S 5.3546 8.8267 115.4999 56.8027 66.8437 173.3598 93 V 4.4158 8.5005 114.0163 59.8113 34.9313 174.7342 94 T 4.8905 8.0703 120.1607 62.0147 71.4394 172.8501 95 Y 5.0038 8.5119 123.7032 56.8012 40.3638 175.1946 96 A 4.6594 8.4777 122.4182 50.6748 22.7451 175.5752 97 C 4.8861 8.8861 119.9245 56.9433 37.8723 173.3578 98 N 4.7610 8.4167 118.4992 52.0620 40.1703 174.1068 99 K 4.0066 8.7351 121.6045 60.9934 31.7544 176.1859 100 G 3.9231 8.7935 113.7085 45.0351 0.0000 172.2326 101 F 5.1476 8.5906 118.3963 55.8574 42.1041 175.0408 102 T 4.6764 9.3155 111.9320 59.9470 71.3931 172.8054 103 M 4.6590 8.8488 126.2905 55.5406 33.0136 175.0904 104 I 4.3952 9.7665 128.0508 60.9425 40.5605 176.4950 105 G 3.6883 8.7934 111.4190 44.4059 0.0000 172.0597 106 E 4.4074 8.3266 117.1984 55.3156 30.8512 177.0555 107 H 4.2554 8.9048 122.7896 59.2601 30.1353 174.8714 108 S 5.1700 7.4565 109.0051 56.8225 65.9915 173.9280 109 I 4.3745 8.2000 115.5874 59.4903 40.3896 173.8109 110 Y 5.3507 8.2886 120.8636 56.2932 40.9974 174.2525 111 C 4.1893 9.5696 124.7828 56.6493 41.6699 172.6408 112 T 5.0067 8.6400 115.9177 59.9209 72.3912 173.0180 113 V 4.2870 8.5159 116.1598 60.4075 34.1385 176.1223 *114 N 4.7690 9.2345 126.5298 51.7359 40.2256 172.2365 115 N 4.4988 9.3822 122.6578 53.4756 34.8853 169.8984 116 D 4.4149 8.1734 113.5032 55.7901 39.2476 175.5023 117 E 4.5452 7.9383 115.7886 54.9043 34.2756 177.3028 118 G 4.3687 8.9308 115.7575 44.7723 0.0000 172.5231 119 E 5.0200 8.4870 123.6871 53.8771 33.9834 172.1237 120 W 4.4674 8.7823 122.0439 56.4782 29.6444 176.2514 121 S 4.3486 9.5509 119.2699 61.5174 62.1500 174.7397 122 G 4.0986 7.6469 107.2259 43.1564 0.0000 169.7108 123 P 4.5145 0.0000 0.0000 60.9160 32.4282 174.2014 124 P 3.9302 0.0000 0.0000 62.1773 31.4296 173.9296 125 P 4.4887 0.0000 0.0000 62.5897 32.7158 174.5108 126 E 4.6434 9.4778 120.2404 54.5161 32.8262 173.5612 127 C 5.4862 8.6615 122.6014 55.2815 40.8429 172.9870 128 R 4.8622 9.2131 123.1531 54.4761 33.9021 175.8188 129 G 3.4275 8.5953 109.4583 45.4752 0.0000 173.6921 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 K 8.17 4.28 0.00 1.83 1.94 0.00 1.29 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 6 S 7.66 4.73 0.00 3.91 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 7 C 9.10 4.34 0.00 2.37 1.83 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 4.65 0.00 2.13 2.06 0.00 3.23 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 9 N 8.80 4.51 0.00 2.73 2.82 0.00 0.00 7.00 7.69 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 10 P 0.00 4.28 0.00 2.06 1.97 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 11 G 9.29 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 0.00 0.00 0.00 12 E 8.19 4.66 0.00 1.96 1.67 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 2.14 1.88 0.00 13 I 8.02 4.40 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.80 0.00 0.00 14 R 8.57 4.05 0.00 1.83 1.74 0.00 3.41 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 15 N 8.95 4.11 0.00 2.58 1.77 0.00 0.00 6.82 7.60 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 16 G 7.56 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 0.00 0.00 0.00 0.00 17 Q 8.99 4.58 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 18 I 8.46 4.61 1.90 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 1.25 0.78 1.05 0.00 0.00 19 D 9.13 4.73 0.00 2.64 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 20 V 7.84 4.63 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 0.96 0.00 0.00 0.91 0.00 0.00 21 P 0.00 4.39 0.00 2.20 2.15 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 22 G 7.57 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 23 G 8.18 3.97 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 24 I 7.91 4.79 2.30 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 1.56 0.79 1.15 0.00 0.00 25 L 7.75 4.37 0.00 1.71 1.64 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.95 4.13 0.00 2.79 2.94 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 0.00 0.00 0.00 27 G 8.17 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 28 A 7.43 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 5.29 4.30 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 1.26 0.00 0.00 30 I 8.49 4.45 1.42 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.14 0.56 0.00 0.00 31 S 8.13 4.62 0.00 3.67 3.63 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 32 F 8.00 5.74 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 33 S 8.58 4.73 0.00 3.80 3.94 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 0.00 0.00 0.00 34 C 8.43 5.42 0.00 2.86 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 35 N 8.84 4.62 0.00 2.39 2.65 0.00 0.00 7.34 7.04 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 36 T 8.40 3.69 3.94 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 0.00 0.00 0.12 0.00 0.00 37 G 9.23 3.97 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 38 Y 7.54 5.10 0.00 2.90 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 39 K 9.37 4.68 0.00 1.98 1.86 0.00 1.39 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 40 L 8.74 4.62 0.00 1.71 1.66 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 F 10.11 4.41 0.00 3.11 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 42 G 8.39 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 0.00 0.00 0.00 43 S 8.67 4.23 0.00 4.14 3.94 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 0.00 0.00 0.00 44 T 8.67 4.39 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 1.23 0.00 0.00 45 S 7.02 4.09 0.00 3.77 3.65 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 46 S 7.74 4.94 0.00 4.11 3.48 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 47 F 9.57 5.30 0.00 3.15 2.90 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 0.00 0.00 0.00 0.00 48 C 9.10 4.79 0.00 1.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.32 0.00 2.06 2.24 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 *56 Q 7.67 3.88 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 57 W 8.29 4.57 0.00 3.41 3.26 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 58 S 9.09 4.40 0.00 4.16 4.46 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 59 D 7.85 5.04 0.00 2.84 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 P 0.00 4.67 0.00 2.19 2.11 0.00 3.82 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 2.01 2.01 0.00 61 L 8.07 3.57 0.00 1.49 1.41 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.71 0.00 2.02 2.23 0.00 2.42 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.86 0.00 63 E 9.02 4.78 0.00 2.00 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 2.20 2.26 0.00 64 C 8.67 5.34 0.00 2.93 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 65 R 8.71 4.85 0.00 1.82 1.77 0.00 3.14 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 66 E 8.36 3.34 0.00 1.16 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 1.47 1.47 0.00 67 I 7.86 3.93 1.67 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 1.14 0.49 0.83 0.00 0.00 68 Y 8.43 4.94 0.00 2.84 2.76 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 0.00 0.00 0.00 69 C 8.94 5.26 0.00 2.27 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 0.00 0.00 0.00 70 P 0.00 4.55 0.00 2.35 2.17 0.00 3.74 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 2.35 2.12 0.00 71 A 8.76 4.29 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 72 P 0.00 3.61 0.00 1.60 0.62 0.00 3.95 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.61 0.00 73 P 0.00 4.39 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 74 Q 8.21 4.70 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 75 I 7.71 4.60 1.68 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 1.42 0.64 0.52 0.00 0.00 76 D 8.34 4.41 0.00 2.54 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 77 N 8.36 3.83 0.00 2.01 1.42 0.00 0.00 6.85 7.85 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 78 G 6.98 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 0.00 0.00 0.00 79 I 8.15 4.87 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 1.22 0.69 0.89 0.00 0.00 80 I 7.98 4.49 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.30 0.65 0.00 0.00 81 Q 8.56 3.88 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 82 G 8.56 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 0.00 0.00 0.00 83 E 7.77 4.13 0.00 1.92 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 0.00 2.39 2.44 0.00 84 R 8.50 4.35 0.00 1.39 1.61 0.00 3.25 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 85 D 8.46 4.38 0.00 2.52 2.50 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 86 H 7.58 5.11 0.00 2.95 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.62 4.79 0.00 3.03 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 88 G 8.65 4.39 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 0.00 89 Y 8.47 4.26 0.00 2.92 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 90 R 7.99 3.70 0.00 1.15 1.76 0.00 3.05 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.23 0.00 91 Q 7.83 4.49 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 92 S 8.83 5.35 0.00 3.75 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 93 V 8.50 4.42 1.45 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 0.36 0.00 0.00 0.18 0.00 0.00 94 T 8.07 4.89 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 1.28 0.00 0.00 95 Y 8.51 5.00 0.00 2.72 2.79 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 96 A 8.48 4.66 1.21 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 0.00 0.00 97 C 8.89 4.89 0.00 2.94 3.15 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 98 N 8.42 4.76 0.00 2.72 2.83 0.00 0.00 6.88 7.35 0.00 0.00 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 K 8.74 4.01 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 100 G 8.79 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 0.00 101 F 8.59 5.15 0.00 2.99 3.03 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 0.00 102 T 9.32 4.68 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 1.22 0.00 0.00 103 M 8.85 4.66 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 104 I 9.77 4.40 1.85 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 1.41 1.25 0.90 0.00 0.00 105 G 8.79 3.69 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 0.00 0.00 0.00 106 E 8.33 4.41 0.00 2.04 1.89 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 2.41 2.31 0.00 107 H 8.90 4.26 0.00 3.18 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.46 5.17 0.00 3.74 3.73 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 0.00 109 I 8.20 4.37 1.96 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 1.20 0.90 0.92 0.00 0.00 110 Y 8.29 5.35 0.00 2.99 2.90 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 0.00 0.00 0.00 0.00 111 C 9.57 4.19 0.00 1.98 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 0.00 112 T 8.64 5.01 4.30 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 1.36 0.00 0.00 113 V 8.52 4.29 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 0.63 0.00 0.00 0.82 0.00 0.00 *114 N 9.23 4.77 0.00 2.58 2.66 0.00 0.00 6.91 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 9.38 4.50 0.00 2.86 2.74 0.00 0.00 7.06 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 0.00 116 D 8.17 4.41 0.00 2.78 2.76 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 0.00 0.00 0.00 117 E 7.94 4.55 0.00 1.58 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 2.14 2.13 0.00 118 G 8.93 4.37 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 0.00 119 E 8.49 5.02 0.00 1.62 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 2.19 1.86 0.00 120 W 8.78 4.47 0.00 3.20 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 0.00 121 S 9.55 4.35 0.00 4.02 4.50 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 0.00 122 G 7.65 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 0.00 0.00 0.00 123 P 0.00 4.51 0.00 2.13 2.03 0.00 3.79 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 1.93 1.93 0.00 124 P 0.00 3.93 0.00 1.54 1.56 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 125 P 0.00 4.49 0.00 2.02 2.15 0.00 2.57 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 126 E 9.48 4.64 0.00 1.90 1.72 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 2.15 2.19 0.00 127 C 8.66 5.49 0.00 2.82 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 0.00 128 R 9.21 4.86 0.00 2.05 1.80 0.00 3.09 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 129 G 8.60 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.