NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2881 8.2649 123.5788 51.0210 19.9288 176.5771 2 P 4.2624 0.0000 0.0000 61.0221 31.8090 175.0407 3 Q 4.5925 8.3745 117.4660 55.8545 30.2468 175.0793 4 N 5.0607 7.5560 115.7746 50.5109 41.8234 174.7791 5 I 3.6756 8.2969 121.0979 64.5737 37.6928 178.4083 6 T 3.8147 7.8271 116.1763 66.6652 68.1505 176.3790 7 E 3.9399 8.4613 119.4411 59.2068 29.7766 178.7773 8 L 3.9563 7.8620 119.1126 58.1289 41.7181 178.8828 9 C 4.4675 8.3578 118.5051 59.5800 43.4025 175.4603 10 S 4.0149 7.5167 113.7426 60.4765 62.6637 175.6438 11 E 4.0241 7.5737 121.7739 57.7014 29.4276 176.3829 12 Y 4.6417 6.9433 116.2509 57.1259 39.3417 173.8841 13 H 4.8234 8.9357 120.6064 56.1086 31.5176 174.2884 14 N 4.1628 8.5536 122.5865 55.1021 35.8101 173.2547 15 T 5.1552 7.6748 105.8324 60.1851 72.2647 173.2928 16 Q 4.5074 8.8002 119.0442 55.0987 32.4646 173.2481 17 I 4.6240 7.9649 120.7300 60.3987 38.8202 174.7876 18 Y 4.7609 8.7579 124.1579 56.1376 40.8103 174.1893 19 E 4.6584 8.9535 125.5237 55.5531 30.2108 174.2990 20 L 4.3053 9.0732 126.2111 55.6131 43.6675 177.9503 21 N 4.2458 7.9388 113.8813 53.8381 36.2938 173.6995 22 K 4.7442 7.8754 114.8987 54.6162 36.8577 176.5838 23 E 4.6501 8.5860 118.9798 55.6679 30.6781 176.4429 24 I 3.4072 8.0998 121.1967 61.1935 37.8545 176.1184 25 K 4.3435 8.7082 127.3276 58.6293 33.0504 177.1697 26 T 4.6557 7.6652 115.1193 61.6746 72.7445 172.4026 27 Y 4.8564 8.0388 125.7646 55.9952 41.4637 174.5615 28 T 4.6144 8.1784 122.8299 61.5238 72.5263 172.7853 29 E 5.6912 8.7389 122.3612 53.6455 33.0099 174.7824 30 S 4.7375 8.2862 114.8962 56.5005 66.9554 172.9395 31 L 4.5883 8.5307 121.7578 54.9248 42.0854 176.1441 32 A 4.6408 8.3928 124.4323 50.1578 22.5036 175.4385 33 G 3.7414 8.4392 108.8372 47.0716 0.0000 174.1045 34 Y 3.9760 9.1294 123.5381 58.7488 37.1954 169.9759 35 R 4.6889 7.0665 112.8816 54.6144 32.4676 174.5744 36 E 4.3913 8.5318 119.6623 56.5963 30.6307 176.4969 37 M 4.3318 8.6491 122.7377 55.3324 33.6494 175.6720 38 V 4.6533 8.2990 121.7515 61.2128 35.0583 173.9617 39 I 5.1479 8.7017 128.6956 59.3903 40.8424 174.5570 40 I 5.1164 8.8536 119.7570 59.1605 40.9569 174.5082 41 S 5.1533 8.7679 117.1095 56.9580 66.9462 172.8093 42 F 5.0980 8.8320 119.1454 55.4223 41.5986 176.8769 43 A 4.1101 8.9387 122.8277 54.9292 18.2816 178.1707 44 N 4.6553 8.2790 111.8911 52.8822 37.4673 176.0957 45 G 3.8969 8.2152 108.6957 45.3978 0.0000 174.2274 46 A 3.8699 7.9464 122.3325 52.3634 19.2633 176.7107 47 T 4.9717 7.6904 118.5121 61.7236 71.9225 173.4947 48 F 5.3736 9.3873 123.7524 55.9157 44.0197 173.5369 49 Q 5.0842 9.2830 118.8023 54.5018 32.2932 174.8980 50 V 4.4411 8.4677 121.5423 62.3069 31.6649 174.9221 51 E 4.6416 8.4135 126.8283 55.0198 32.5056 174.5723 52 V 3.7862 8.1702 125.8076 61.0364 32.5806 173.9281 53 P 3.9561 0.0000 0.0000 63.8276 31.7732 176.1257 54 G 3.7935 8.6061 109.0289 46.6161 0.0000 175.9132 55 S 4.0244 8.4183 118.7037 61.6360 62.5953 176.0356 56 Q 4.1074 7.9625 117.3166 57.7628 28.0751 178.4009 57 H 4.4442 7.5608 114.5398 54.4236 27.3768 172.7828 *59 E 3.9999 8.0423 122.3027 55.4608 30.6599 176.8580 60 S 3.8051 8.5395 122.0382 61.3082 62.8410 175.1296 61 Q 4.3511 7.8272 115.9979 55.7239 29.0988 175.3226 62 K 4.4118 7.8528 119.2618 55.5310 33.3458 177.5816 63 R 4.6707 8.1174 122.4188 53.3587 30.4441 173.9532 64 P 4.3251 0.0000 0.0000 64.8278 32.1742 177.5551 65 L 4.7772 7.7559 116.8126 54.4403 42.3046 178.1443 66 E 4.0284 8.2331 121.3929 59.4424 29.2140 178.5582 67 R 3.8575 8.0349 119.1808 59.6114 30.0817 177.9459 68 M 4.0599 8.0873 117.2979 58.5663 32.2391 178.0737 69 K 4.0697 8.1867 118.6613 59.6497 32.1979 179.0160 70 D 4.3903 8.1561 119.0775 57.6423 40.6939 178.9881 71 T 3.8883 8.2463 116.4567 66.7611 68.4129 176.7881 72 L 4.1063 8.3742 121.2245 57.5923 41.6347 179.3931 73 R 3.4784 8.1989 118.5686 59.4498 30.0352 178.4453 74 A 3.9792 8.2759 120.3444 55.0115 18.4582 179.4533 75 A 3.9707 8.3138 119.4384 55.3586 18.2588 179.0289 76 Y 3.8877 8.0759 117.0628 61.1358 38.9682 178.2829 77 F 3.9251 8.4366 117.2971 60.0283 39.0840 176.8918 78 T 4.3805 7.9779 107.1567 60.8746 69.2493 175.5691 79 G 3.8277 7.6186 108.9406 46.2131 0.0000 173.8926 80 I 3.8632 7.5813 119.7200 60.8076 36.4285 175.9232 81 K 4.4257 8.5135 124.0295 56.3283 33.7207 176.0005 82 V 4.1577 8.9224 125.6266 62.4758 32.5368 176.1300 83 S 4.4972 9.1857 124.0605 60.0846 62.9225 173.5687 84 K 5.1260 7.7974 117.6297 54.5923 36.8335 174.6417 85 L 5.0649 8.7880 122.2225 53.0754 45.7365 174.5990 86 C 5.0319 8.9256 123.6563 55.2929 43.9777 172.8177 87 V 4.9639 8.5340 119.1400 59.1598 35.7008 174.9036 88 W 4.8949 9.2249 124.0579 56.6535 29.6313 176.4281 89 N 4.7385 9.3380 122.3629 53.9202 39.1326 175.3923 90 N 4.6314 9.7345 116.0310 53.2107 36.3081 174.5155 91 K 4.6484 7.6718 119.0887 54.7250 35.4391 174.7766 92 T 4.9668 8.2218 115.2422 58.6745 71.3485 171.9825 93 P 4.4440 0.0000 0.0000 62.7950 32.2676 175.7699 94 N 5.1728 8.6913 119.3920 53.1199 40.0496 174.4907 95 S 5.0041 8.9487 119.2895 58.7942 64.4120 173.0981 96 I 4.5675 8.7132 125.6610 60.7181 37.2708 175.6086 97 A 4.2170 8.7316 128.9665 53.5021 19.8875 177.0315 98 A 4.7511 7.3506 114.5173 50.8841 22.6964 175.4937 99 I 4.9808 8.2546 112.5172 59.0193 41.0463 174.1092 100 E 4.7112 9.2346 125.3354 54.4278 32.3504 174.2482 101 L 4.9855 8.1425 126.2615 53.2709 43.7525 175.5446 102 S 4.6952 8.0804 114.4389 58.2218 66.3394 175.4774 103 N 4.5107 8.5573 119.9352 53.3302 36.8168 174.2669 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 A 8.26 4.29 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 2 P 0.00 4.26 0.00 2.08 1.95 0.00 3.59 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 1.94 2.07 0.00 3 Q 8.37 4.59 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 4 N 7.56 5.06 0.00 2.92 2.87 0.00 0.00 5.81 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 5 I 8.30 3.68 1.85 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 1.60 1.53 0.88 0.00 0.00 6 T 7.83 3.81 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 1.17 0.00 0.00 7 E 8.46 3.94 0.00 1.88 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 0.00 2.31 2.46 0.00 8 L 7.86 3.96 0.00 1.83 1.69 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.36 4.47 0.00 3.16 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 10 S 7.52 4.01 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 11 E 7.57 4.02 0.00 1.57 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 2.20 2.36 0.00 12 Y 6.94 4.64 0.00 2.82 2.89 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 13 H 8.94 4.82 0.00 3.18 3.40 0.00 6.08 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.55 4.16 0.00 3.13 2.94 0.00 0.00 6.68 7.05 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 15 T 7.67 5.16 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 0.42 0.00 0.00 16 Q 8.80 4.51 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 17 I 7.96 4.62 1.76 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 1.25 0.79 0.85 0.00 0.00 18 Y 8.76 4.76 0.00 2.83 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 19 E 8.95 4.66 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 2.22 2.45 0.00 20 L 9.07 4.31 0.00 1.32 1.25 0.55 0.40 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 21 N 7.94 4.25 0.00 2.86 2.84 0.00 0.00 6.78 7.11 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 22 K 7.88 4.74 0.00 1.92 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.57 7.81 23 E 8.59 4.65 0.00 2.09 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 0.00 2.32 2.35 0.00 24 I 8.10 3.41 2.02 0.00 0.00 1.00 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 0.59 0.95 0.00 0.00 25 K 8.71 4.34 0.00 1.76 1.93 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 26 T 7.67 4.66 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 1.10 0.00 0.00 27 Y 8.04 4.86 0.00 2.49 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 28 T 8.18 4.61 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 1.08 0.00 0.00 29 E 8.74 5.69 0.00 1.86 1.68 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 2.21 2.15 0.00 30 S 8.29 4.74 0.00 3.82 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 31 L 8.53 4.59 0.00 1.54 1.62 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.64 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 33 G 8.44 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 34 Y 9.13 3.98 0.00 3.21 3.33 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 35 R 7.07 4.69 0.00 1.94 1.91 0.00 3.10 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 36 E 8.53 4.39 0.00 1.90 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 2.32 2.36 0.00 37 M 8.65 4.33 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 38 V 8.30 4.65 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 8.70 5.15 1.75 0.00 0.00 0.81 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 0.57 0.91 0.00 0.00 40 I 8.85 5.12 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 1.04 0.00 0.00 41 S 8.77 5.15 0.00 3.86 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 42 F 8.83 5.10 0.00 3.28 3.07 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 43 A 8.94 4.11 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 44 N 8.28 4.66 0.00 2.84 2.94 0.00 0.00 6.21 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 45 G 8.22 3.90 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 0.00 0.00 0.00 46 A 7.95 3.87 1.11 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 0.00 0.00 47 T 7.69 4.97 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 1.19 0.00 0.00 48 F 9.39 5.37 0.00 3.00 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 49 Q 9.28 5.08 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 50 V 8.47 4.44 2.14 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 0.81 0.00 0.00 1.02 0.00 0.00 51 E 8.41 4.64 0.00 1.93 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 2.15 2.26 0.00 52 V 8.17 3.79 2.02 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 0.74 0.00 0.00 0.97 0.00 0.00 53 P 0.00 3.96 0.00 1.57 1.49 0.00 2.83 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.58 0.00 54 G 8.61 3.79 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 0.00 0.00 0.00 55 S 8.42 4.02 0.00 4.11 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 56 Q 7.96 4.11 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.12 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 57 H 7.56 4.44 0.00 3.20 3.27 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 E 8.04 4.00 0.00 2.02 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 2.23 2.42 0.00 60 S 8.54 3.81 0.00 3.11 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 61 Q 7.83 4.35 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 62 K 7.85 4.41 0.00 1.85 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.39 7.81 63 R 8.12 4.67 0.00 1.84 1.84 0.00 3.19 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 64 P 0.00 4.33 0.00 2.09 2.17 0.00 3.66 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 2.05 2.14 0.00 65 L 7.76 4.78 0.00 1.74 1.70 1.09 0.98 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 66 E 8.23 4.03 0.00 2.26 2.25 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 2.52 2.35 0.00 67 R 8.03 3.86 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 68 M 8.09 4.06 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 69 K 8.19 4.07 0.00 2.09 1.94 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.70 7.81 70 D 8.16 4.39 0.00 2.91 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 71 T 8.25 3.89 4.42 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 1.25 0.00 0.00 72 L 8.37 4.11 0.00 1.91 1.90 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.20 3.48 0.00 1.93 2.04 0.00 2.97 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.00 74 A 8.28 3.98 1.36 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 75 A 8.31 3.97 1.46 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 0.00 0.00 76 Y 8.08 3.89 0.00 3.02 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 77 F 8.44 3.93 0.00 3.08 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 78 T 7.98 4.38 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 1.30 0.00 0.00 79 G 7.62 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 0.00 0.00 0.00 80 I 7.58 3.86 1.89 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 1.43 0.47 0.95 0.00 0.00 81 K 8.51 4.43 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.46 7.81 82 V 8.92 4.16 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 1.01 0.00 0.00 1.15 0.00 0.00 83 S 9.19 4.50 0.00 3.94 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 84 K 7.80 5.13 0.00 1.65 1.56 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 85 L 8.79 5.06 0.00 1.25 1.22 0.26 1.04 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 86 C 8.93 5.03 0.00 2.90 2.80 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 87 V 8.53 4.96 2.35 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 0.54 0.00 0.00 1.21 0.00 0.00 88 W 9.22 4.89 0.00 3.27 2.96 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 89 N 9.34 4.74 0.00 2.63 2.82 0.00 0.00 7.18 7.91 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 90 N 9.73 4.63 0.00 2.93 3.11 0.00 0.00 6.60 7.61 0.00 0.00 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 K 7.67 4.65 0.00 1.73 1.60 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 92 T 8.22 4.97 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 1.28 0.00 0.00 93 P 0.00 4.44 0.00 2.11 2.05 0.00 3.77 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 2.01 1.98 0.00 94 N 8.69 5.17 0.00 3.22 3.26 0.00 0.00 7.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.95 5.00 0.00 4.12 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 0.00 96 I 8.71 4.57 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.90 0.00 0.00 97 A 8.73 4.22 -0.26 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 98 A 7.35 4.75 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 99 I 8.25 4.98 1.89 0.00 0.00 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 1.25 0.79 0.92 0.00 0.00 100 E 9.23 4.71 0.00 1.99 1.78 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 2.18 2.24 0.00 101 L 8.14 4.99 0.00 1.56 1.58 0.95 0.90 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 0.00 102 S 8.08 4.70 0.00 3.79 3.67 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 0.00 103 N 8.56 4.51 0.00 2.83 2.71 0.00 0.00 5.91 7.56 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 * Residues marked with a * may have inaccurate shift predictions.