NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2527 8.2601 123.5869 51.6912 18.3988 176.3759 3 A 3.6954 7.5274 118.4646 54.3662 18.8110 170.9527 4 V 4.4386 8.8353 116.3347 61.3216 34.1302 173.4828 5 T 4.8182 9.6842 126.2471 61.8691 71.2536 173.4311 6 Q 5.4171 8.7007 124.4878 54.4931 32.2389 175.1976 7 S 4.7563 8.3358 114.7639 56.7728 66.3689 172.8855 8 P 4.7034 0.0000 0.0000 62.6691 32.0141 175.7102 9 R 4.3764 8.4450 115.4438 58.0424 31.6607 176.6923 10 N 5.3709 7.9381 116.6367 51.9848 42.0918 173.7021 11 K 4.7287 9.1406 126.7479 54.5655 36.1398 174.7002 12 V 4.9427 8.4010 124.7885 61.2363 33.6026 174.3430 13 A 4.7436 8.6996 127.1751 50.8338 23.1530 175.3178 14 V 4.0929 8.2566 113.3764 59.5023 34.3082 176.0175 15 T 4.0508 8.4789 119.5449 65.8305 68.5995 174.2375 16 G 4.2709 9.3856 115.8375 44.4517 0.0000 173.5363 17 E 4.1231 8.0294 121.0839 55.9877 31.0933 175.3220 18 K 5.2154 8.3881 126.1751 54.2699 33.5912 175.3744 19 V 4.3874 8.2391 127.1186 61.2843 34.3935 173.9516 20 T 4.8536 8.4162 123.6794 61.7036 70.9951 173.1971 21 L 4.5832 8.4462 126.9812 53.0288 44.0225 176.8291 22 S 4.9746 8.9850 120.8108 58.2843 65.1015 173.3084 23 C 4.8987 8.5608 117.9754 56.5955 44.5020 172.1161 24 Q 6.0133 9.5067 126.8592 53.4154 31.0060 174.8893 25 Q 4.9870 8.6929 120.8968 54.6995 31.7811 174.8818 26 T 4.3263 8.5610 111.9528 60.9818 71.6496 173.5448 27 N 4.5526 8.7076 119.9883 53.3289 36.3366 173.6024 28 N 4.0486 7.5929 113.2516 53.7215 34.6149 172.8572 29 H 4.9848 8.9954 116.6963 53.7267 31.3476 175.3420 30 N 4.4831 8.8503 120.6765 56.7412 38.8137 175.1888 31 N 5.4096 7.8188 115.1412 52.6106 40.2264 173.8775 32 M 5.0551 7.6762 120.7475 53.9322 37.0788 173.5705 33 Y 5.3500 8.6183 116.2842 56.4007 43.2439 174.3847 34 W 5.4810 9.1132 121.0962 55.4469 33.0555 174.2425 35 Y 5.4806 10.1123 121.9168 56.1008 41.5592 174.3845 36 R 4.8610 9.0806 116.4356 54.4257 32.5145 174.5507 37 Q 4.7944 9.5002 124.3468 54.3365 29.4285 175.9581 38 D 4.7707 8.2450 127.7332 59.5893 41.8141 177.9441 39 T 3.5235 7.3196 110.1596 65.9272 65.4475 171.9978 40 G 4.1200 9.7257 116.5474 45.6951 0.0000 171.8843 41 H 4.8919 8.0720 114.2045 57.0407 36.0702 174.0543 42 G 4.0634 8.4464 103.0976 44.0309 0.0000 175.8990 43 L 4.9597 8.7325 123.8506 52.5321 44.0946 175.3219 44 R 4.8077 8.3038 122.0452 54.0120 33.1085 175.0728 45 L 4.2474 8.7816 126.4363 55.5826 42.9224 176.4816 46 I 4.2047 9.1313 128.2736 63.3207 38.3381 175.2088 47 H 5.4379 8.0615 117.8110 54.5982 33.7701 171.6316 48 Y 5.4919 8.4173 119.2815 55.6628 41.7135 173.7943 49 S 4.3795 8.0741 111.5623 57.3502 66.0159 174.3848 50 Y 5.1207 8.8338 120.7561 56.8700 38.9960 175.7132 51 G 3.8373 6.9869 108.5227 45.2916 0.0000 171.6753 52 A 4.1093 8.1857 122.7123 53.2481 18.7474 176.6565 53 G 4.1554 8.4942 111.6651 45.2114 0.0000 173.9861 54 S 4.8107 7.2326 111.5806 56.5296 64.4964 172.9941 55 T 4.7486 7.8642 114.8040 60.4162 71.6092 172.2702 56 E 4.5751 8.8008 123.8301 53.8345 33.7430 174.6711 57 K 4.3160 8.5995 123.8523 56.0581 32.3036 177.2199 58 G 4.2839 9.4208 122.1136 47.1612 0.0000 175.0519 59 D 4.8075 9.4110 122.7994 54.7461 41.7020 177.1410 60 I 4.6459 7.1760 110.0423 58.9781 37.1314 173.5886 61 P 4.5504 0.0000 0.0000 63.9932 32.4255 176.7097 62 D 4.4654 8.0431 120.5088 55.4338 41.2748 176.1210 63 G 3.5114 8.6013 112.3964 46.7384 0.0000 172.0789 *65 Y 4.8670 7.6668 115.0593 57.4503 39.2338 174.7015 66 K 4.7452 8.9967 123.4618 54.6561 36.0293 174.4613 67 A 4.9758 8.1585 124.2251 50.4750 22.7475 175.3085 68 S 4.5075 8.5901 112.8508 56.8127 66.4307 173.1424 69 R 5.4002 8.4189 126.3405 53.2245 29.1583 173.9932 70 P 4.2886 0.0000 0.0000 64.2475 32.3189 176.2025 71 S 4.7418 7.6089 110.6958 55.9607 66.3593 173.9691 72 Q 3.9740 8.8284 120.6016 59.1932 28.7792 177.4100 73 E 4.2103 8.1564 116.0350 57.2604 30.0159 175.0943 74 Q 5.1339 7.6507 120.3920 54.3337 30.9759 174.4795 75 F 5.3878 9.0512 128.7014 57.1518 41.8834 173.7052 76 S 5.0205 9.0042 122.9085 56.9294 65.4629 173.1251 77 L 4.4485 8.1777 124.6379 53.0435 44.5664 175.1425 78 I 4.8673 8.8508 125.9816 59.3631 41.2166 174.2754 79 L 4.5724 8.5653 126.5327 53.1277 43.4212 177.0434 80 E 3.8006 8.9284 124.1501 58.9039 30.1685 177.7182 81 S 4.5577 7.7408 118.4974 55.9457 65.1098 172.4781 82 A 4.6208 9.7461 130.9940 52.3836 19.5772 176.0804 83 T 4.8517 8.5554 108.9483 59.2071 72.4893 173.4635 84 P 4.4687 0.0000 0.0000 65.6293 31.6645 179.1096 85 S 4.1486 7.4681 113.6378 61.6405 62.7498 175.2185 86 Q 4.5762 7.9394 116.7124 56.3571 28.5698 175.9509 87 T 4.3991 7.9406 116.8268 63.8790 69.2367 174.3853 88 S 4.5851 8.4062 121.0503 58.5576 69.8256 174.4328 89 V 4.8707 7.2155 120.9261 62.2274 34.0799 175.2544 90 Y 5.3682 8.6624 125.9363 56.4153 40.3616 174.6416 91 F 5.4662 9.3061 123.1130 55.8382 42.0498 172.3737 92 C 5.8437 9.4600 117.8655 53.3813 38.6868 172.3006 93 A 4.9373 8.3762 120.5515 50.3178 23.2167 174.2976 94 S 4.8364 8.5090 111.6831 56.6770 66.1231 172.6397 95 G 4.4350 9.3199 114.0794 45.0852 0.0000 172.7974 96 G 3.8924 8.5612 113.7289 45.2377 0.0000 173.6198 97 G 3.7670 7.3510 115.8104 44.1854 0.0000 173.4048 98 G 4.1293 8.6876 107.8233 45.0580 0.0000 173.1506 99 T 4.5463 7.9422 115.7614 61.1644 70.8282 173.3830 100 L 5.0548 8.0772 124.3242 53.2752 44.8257 176.2413 101 Y 4.1576 8.4835 121.3934 56.3743 38.1580 174.8185 *108 F 4.8649 7.7499 121.4449 57.1352 40.7424 174.8395 109 G 4.1963 8.8963 108.5198 44.8445 0.0000 173.9118 110 A 4.3640 8.7264 121.8251 52.8276 18.7670 178.0162 111 G 3.4144 8.4567 102.2489 44.5037 0.0000 173.5952 112 T 4.7998 8.1113 115.4066 60.0654 72.1122 173.5387 113 R 4.4958 8.6166 128.0923 56.1909 31.5596 174.8732 114 L 5.3886 9.8798 128.7560 53.4499 46.0265 174.9254 115 S 4.9287 8.8079 121.3301 56.7686 65.9038 173.1494 116 V 4.3263 8.5257 125.8952 61.3403 32.2196 175.5753 117 L 4.3592 9.6104 128.0679 54.8448 41.2691 176.9664 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 2 A 8.26 4.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.53 3.70 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 4 V 8.84 4.44 2.26 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 1.07 0.00 0.00 1.02 0.00 0.00 5 T 9.68 4.82 4.28 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 1.31 0.00 0.00 6 Q 8.70 5.42 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 7 S 8.34 4.76 0.00 3.89 3.96 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 8 P 0.00 4.70 0.00 2.36 2.14 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 9 R 8.44 4.38 0.00 1.78 2.03 0.00 3.50 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 10 N 7.94 5.37 0.00 2.69 2.65 0.00 0.00 6.65 6.68 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 11 K 9.14 4.73 0.00 1.88 1.56 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.38 7.81 12 V 8.40 4.94 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 8.70 4.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.26 4.09 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 0.69 0.00 0.00 0.96 0.00 0.00 15 T 8.48 4.05 4.23 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 1.26 0.00 0.00 16 G 9.39 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 0.00 0.00 0.00 17 E 8.03 4.12 0.00 2.06 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 2.26 2.21 0.00 18 K 8.39 5.22 0.00 1.93 1.64 0.00 1.55 0.00 0.00 2.24 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.18 7.81 19 V 8.24 4.39 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 0.94 0.00 0.00 0.86 0.00 0.00 20 T 8.42 4.85 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 1.10 0.00 0.00 21 L 8.45 4.58 0.00 0.58 1.28 0.18 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.99 4.97 0.00 3.97 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 23 C 8.56 4.90 0.00 3.19 3.35 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 24 Q 9.51 6.01 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 25 Q 8.69 4.99 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 26 T 8.56 4.33 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 1.33 0.00 0.00 27 N 8.71 4.55 0.00 2.47 2.70 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.59 4.05 0.00 2.82 2.87 0.00 0.00 6.81 8.16 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 29 H 9.00 4.98 0.00 3.11 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.85 4.48 0.00 2.71 3.08 0.00 0.00 7.00 8.00 0.00 0.00 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 N 7.82 5.41 0.00 2.66 2.52 0.00 0.00 7.36 7.66 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 32 M 7.68 5.06 0.00 1.73 1.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 33 Y 8.62 5.35 0.00 2.93 2.47 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 0.00 34 W 9.11 5.48 0.00 3.25 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 35 Y 10.11 5.48 0.00 3.05 3.04 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 36 R 9.08 4.86 0.00 1.45 1.34 0.00 2.75 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 37 Q 9.50 4.79 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 38 D 8.24 4.77 0.00 2.81 2.57 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 0.00 0.00 0.00 0.00 39 T 7.32 3.52 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 1.22 0.00 0.00 40 G 9.73 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 41 H 8.07 4.89 0.00 3.45 3.26 0.00 5.63 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 42 G 8.45 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 43 L 8.73 4.96 0.00 1.33 1.27 0.82 0.10 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 44 R 8.30 4.81 0.00 1.81 1.86 0.00 3.08 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 45 L 8.78 4.25 0.00 1.85 1.61 0.72 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.13 4.20 1.88 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.77 0.69 0.00 0.00 47 H 8.06 5.44 0.00 3.12 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.42 5.49 0.00 2.68 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 49 S 8.07 4.38 0.00 2.93 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 50 Y 8.83 5.12 0.00 2.86 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 51 G 6.99 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 A 8.19 4.11 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 53 G 8.49 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 54 S 7.23 4.81 0.00 3.87 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 55 T 7.86 4.75 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 1.32 0.00 0.00 56 E 8.80 4.58 0.00 1.16 1.12 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 2.04 2.14 0.00 57 K 8.60 4.32 0.00 1.71 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 58 G 9.42 4.28 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 0.00 59 D 9.41 4.81 0.00 2.60 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 60 I 7.18 4.65 1.93 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 1.64 0.66 0.93 0.00 0.00 61 P 0.00 4.55 0.00 2.18 2.16 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 62 D 8.04 4.47 0.00 2.75 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 63 G 8.60 3.51 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 0.00 0.00 0.00 *65 Y 7.67 4.87 0.00 3.12 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 66 K 9.00 4.75 0.00 1.96 1.51 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.29 7.81 67 A 8.16 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.59 4.51 0.00 3.87 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 69 R 8.42 5.40 0.00 2.06 1.80 0.00 3.67 0.00 0.00 3.09 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 70 P 0.00 4.29 0.00 2.11 2.11 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 71 S 7.61 4.74 0.00 4.04 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 72 Q 8.83 3.97 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 E 8.16 4.21 0.00 2.13 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 0.00 2.35 2.34 0.00 74 Q 7.65 5.13 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 75 F 9.05 5.39 0.00 2.86 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 76 S 9.00 5.02 0.00 3.71 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 77 L 8.18 4.45 0.00 0.27 0.17 0.65 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.85 4.87 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.80 0.00 0.00 79 L 8.57 4.57 0.00 1.55 1.38 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.93 3.80 0.00 1.73 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 2.25 2.30 0.00 81 S 7.74 4.56 0.00 3.79 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 82 A 9.75 4.62 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 83 T 8.56 4.85 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 1.21 0.00 0.00 84 P 0.00 4.47 0.00 2.21 2.15 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 85 S 7.47 4.15 0.00 3.76 3.98 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 86 Q 7.94 4.58 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 87 T 7.94 4.40 4.28 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 1.28 0.00 0.00 88 S 8.41 4.59 0.00 3.02 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 89 V 7.22 4.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 90 Y 8.66 5.37 0.00 3.21 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.31 5.47 0.00 3.17 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 92 C 9.46 5.84 0.00 2.37 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 93 A 8.38 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.51 4.84 0.00 3.87 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 95 G 9.32 4.43 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 96 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 97 G 7.35 3.77 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 0.00 0.00 0.00 98 G 8.69 4.13 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 0.00 0.00 0.00 99 T 7.94 4.55 4.33 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 0.92 0.00 0.00 100 L 8.08 5.05 0.00 1.21 0.84 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.48 4.16 0.00 2.86 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 *108 F 7.75 4.86 0.00 2.96 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 0.00 109 G 8.90 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 0.00 0.00 0.00 0.00 110 A 8.73 4.36 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 0.00 111 G 8.46 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.11 4.80 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 113 R 8.62 4.50 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 114 L 9.88 5.39 0.00 1.77 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.81 4.93 0.00 3.83 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 0.00 116 V 8.53 4.33 2.16 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 0.79 0.00 0.00 0.94 0.00 0.00 117 L 9.61 4.36 0.00 1.57 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.