NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2273 8.2993 121.7873 56.3375 33.0135 174.7638 7 S 4.6371 8.4249 120.3983 56.1885 65.6943 171.8696 8 H 4.6549 9.2097 118.9135 54.2093 32.1313 175.0111 9 N 4.6616 8.5604 123.1099 52.1954 37.1991 175.8174 10 L 4.0523 8.2812 123.4141 56.5318 42.1361 178.2354 11 L 4.5494 7.7005 116.6417 54.4557 42.0679 177.0576 12 E 4.0291 8.0207 121.1652 58.7460 29.9535 177.2983 13 A 4.6540 7.3728 119.0948 49.9064 18.7911 174.8905 14 V 3.5076 7.6846 120.4686 61.9046 32.6738 175.0700 15 R 4.4723 8.1305 126.8292 54.4273 31.7174 174.8725 16 F 4.9806 8.6031 123.1010 55.7522 41.2574 174.3592 17 D 4.8214 8.3671 120.6862 52.6811 43.8567 176.2267 18 D 4.7075 8.8739 126.3565 57.3157 41.2869 177.7700 19 Q 4.1745 8.7961 118.5334 58.5037 28.9572 176.1425 20 R 4.5338 7.2613 111.4759 54.4998 32.2855 174.3376 21 F 4.5752 8.5756 114.3375 57.6832 38.6872 175.0352 22 V 4.0416 8.5298 121.2002 61.6642 34.5244 173.7655 *24 E 4.2117 8.4160 118.8750 55.8826 30.9108 175.3212 25 L 4.1340 8.4508 127.0492 55.3714 42.2374 176.2025 26 V 3.9320 8.5714 126.9606 64.9810 32.6843 175.6409 27 H 4.7663 7.5617 117.4438 55.0619 33.2659 171.8907 28 E 5.1590 8.5281 125.6020 54.6789 32.2917 174.4322 29 S 4.7124 8.9963 120.9017 56.5425 66.3810 173.5946 30 E 4.0945 8.7253 117.1490 59.0378 29.5147 177.8241 31 N 4.4346 7.9656 116.9934 55.3567 39.2211 174.7675 32 F 5.1216 7.5195 110.1481 56.0469 41.3889 172.6827 33 K 5.0081 8.9020 121.0447 54.6950 34.8254 174.6161 34 I 4.8787 9.3195 128.7221 59.5133 39.9723 174.6995 35 V 4.7803 9.0806 127.3010 60.9278 34.8122 174.3154 36 S 5.2550 8.6022 121.9170 56.7744 65.3389 173.3651 37 F 4.9127 9.1270 120.0197 56.0026 42.5980 174.0451 38 T 4.7604 8.7297 119.8655 61.7064 70.9884 172.9246 39 F 5.6045 8.9132 124.6248 55.5962 42.4430 175.4341 40 K 4.2900 9.6958 122.3600 55.3576 32.8610 176.4934 41 A 4.2853 7.9141 123.9025 53.5909 18.5384 178.1815 42 G 4.0419 8.8745 111.7473 45.2527 0.0000 174.0680 43 Q 4.5097 8.1720 118.6478 56.0308 30.2005 174.9031 44 E 4.8597 8.6961 120.8611 54.6433 33.4845 174.2808 45 L 4.0722 8.6814 129.2551 53.0103 42.8873 174.1168 46 P 4.6176 0.0000 0.0000 62.3906 32.2805 176.6671 47 V 3.9413 8.2858 123.1237 63.7934 32.0456 174.6363 48 H 4.9703 8.9507 122.8794 55.3011 32.4583 171.8413 49 S 4.9691 8.1320 111.6727 58.0436 65.8625 173.5464 50 H 4.8536 8.8444 117.0880 53.7016 31.8035 174.4549 51 N 4.8789 8.5837 122.0470 51.9154 36.9595 173.9869 52 I 4.7328 7.0172 111.7436 58.8054 41.4520 175.7844 53 E 4.1060 8.4321 120.7166 56.6688 30.2319 175.5038 54 G 3.7872 8.5898 105.8684 44.4767 0.0000 172.0770 55 E 5.3588 9.2740 117.7222 54.3276 34.2022 175.1538 56 L 5.3912 8.8836 120.6207 54.0543 44.4605 175.0478 57 N 5.5156 9.1971 117.3409 51.1656 40.9517 173.1597 58 I 4.9687 8.7276 121.8857 59.6810 40.4602 174.4235 59 V 4.8173 9.0695 127.7978 61.0282 34.3222 174.6485 60 V 4.2721 8.8637 128.7106 62.2496 31.5854 176.3710 61 L 4.2497 8.9165 129.9047 57.3932 42.1229 177.5703 62 E 4.5497 8.1094 116.3596 55.7575 32.1022 176.0658 63 G 4.1757 8.8001 112.4859 45.2221 0.0000 171.6912 64 E 4.8933 8.6429 116.6360 55.1226 34.0539 175.4254 65 G 4.0051 8.5003 109.7940 45.8627 0.0000 171.3402 66 E 5.0574 8.8838 120.5759 54.5835 34.3794 174.9693 67 F 4.9538 8.9841 122.7855 56.8637 40.7290 174.8295 68 V 4.7674 9.0025 123.7397 61.3194 34.1719 175.0611 69 G 4.1825 8.7895 116.7958 43.2500 0.0000 172.1511 70 D 4.3715 8.4492 117.7872 55.1903 41.7877 177.1556 71 G 3.7188 9.1471 112.6228 46.8960 0.0000 174.1577 72 D 4.4067 8.3692 114.1121 53.4861 37.5172 176.5937 73 A 4.3752 7.5447 121.7098 53.0078 19.3474 178.1059 74 V 5.0113 8.3162 113.8680 59.6349 36.0303 175.1669 75 I 4.6837 8.7722 123.2955 58.7189 40.9436 173.3152 76 P 4.3858 0.0000 0.0000 62.8497 31.8818 176.5536 77 A 4.4188 8.4504 125.2425 49.2682 18.1862 173.5213 78 P 4.6388 0.0000 0.0000 61.1668 33.7350 177.2487 79 R 3.9342 7.5835 121.2928 58.4496 30.0790 176.8960 80 G 3.9393 9.2791 113.5438 45.0333 0.0000 173.2662 81 A 4.4985 8.1588 122.7461 51.6899 19.8657 177.2105 82 V 4.8977 8.3646 119.7910 59.9493 34.0860 174.4681 83 L 4.2329 8.3746 128.0102 53.0530 43.9033 175.0286 84 V 4.8192 8.1170 124.9132 61.0786 33.7576 174.2458 85 A 4.7487 8.7016 128.1803 49.4862 23.2849 173.6562 86 P 4.6447 0.0000 0.0000 62.3507 32.3514 178.0549 87 I 3.7282 8.5498 123.3249 64.5250 37.1386 178.0576 88 S 4.9175 7.8749 111.2198 58.7687 63.5126 173.7014 89 T 4.4505 7.4569 119.1275 61.7996 69.2958 173.1280 90 P 4.6132 0.0000 0.0000 63.2093 32.5663 174.9881 91 H 5.1642 8.9883 119.5177 54.2369 32.3805 172.6602 92 G 4.5149 9.2967 107.8091 45.1595 0.0000 171.1125 93 V 4.9330 8.3150 117.9610 60.9978 35.4015 173.8048 94 R 4.7040 8.7344 127.3634 54.2289 32.9927 173.9607 95 A 4.2364 8.6669 129.2663 51.9723 19.3115 177.6092 96 V 3.7569 8.6271 123.8874 65.1088 32.1223 176.4892 97 T 4.4498 7.4720 109.2469 59.5561 71.1349 173.2508 98 D 4.8923 8.1185 119.9745 53.8890 41.5141 175.3716 *100 K 4.6600 8.2401 120.9190 56.7414 33.5844 174.8563 101 V 5.1068 9.1034 119.3492 59.5155 36.5198 174.0359 102 L 5.0917 9.0545 124.5827 53.3275 45.0797 175.1132 103 V 4.9479 9.3909 126.6405 61.4721 34.1429 174.0919 104 T 4.9833 8.7938 124.5249 61.7786 71.4538 173.0184 105 I 4.9729 9.0627 127.3359 59.4218 40.2116 174.6873 106 A 5.0071 9.2989 128.6267 49.7339 22.2604 174.0157 107 P 4.8569 0.0000 0.0000 61.3564 32.4625 174.7173 108 P 4.5006 0.0000 0.0000 62.5159 32.0663 176.5925 109 I 3.8949 8.1497 118.8113 61.8095 37.0014 176.2168 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 6 K 8.30 4.23 0.00 1.71 1.81 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 7 S 8.42 4.64 0.00 4.04 3.78 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 0.00 0.00 0.00 8 H 9.21 4.65 0.00 3.07 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.56 4.66 0.00 2.75 2.78 0.00 0.00 7.12 6.74 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 10 L 8.28 4.05 0.00 1.62 1.70 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.70 4.55 0.00 1.63 1.69 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.02 4.03 0.00 1.97 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 0.00 2.32 2.25 0.00 13 A 7.37 4.65 1.20 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 14 V 7.68 3.51 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 0.13 0.00 0.00 0.91 0.00 0.00 15 R 8.13 4.47 0.00 1.69 1.65 0.00 3.22 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 16 F 8.60 4.98 0.00 3.08 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 17 D 8.37 4.82 0.00 2.62 2.65 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 18 D 8.87 4.71 0.00 2.71 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 19 Q 8.80 4.17 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 20 R 7.26 4.53 0.00 1.71 1.73 0.00 2.95 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 21 F 8.58 4.58 0.00 2.68 3.18 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 22 V 8.53 4.04 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 1.00 0.00 0.00 0.91 0.00 0.00 *24 E 8.42 4.21 0.00 1.84 1.80 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 2.19 2.18 0.00 25 L 8.45 4.13 0.00 1.57 1.52 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.57 3.93 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 0.40 0.00 0.00 0.79 0.00 0.00 27 H 7.56 4.77 0.00 3.23 3.00 0.00 5.86 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 28 E 8.53 5.16 0.00 1.93 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 2.17 2.29 0.00 29 S 9.00 4.71 0.00 3.98 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 30 E 8.73 4.09 0.00 2.34 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 2.27 1.90 0.00 31 N 7.97 4.43 0.00 2.26 2.41 0.00 0.00 6.81 7.50 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 32 F 7.52 5.12 0.00 3.03 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 33 K 8.90 5.01 0.00 1.89 1.70 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 34 I 9.32 4.88 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.23 0.74 0.00 0.00 35 V 9.08 4.78 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 0.50 0.00 0.00 0.88 0.00 0.00 36 S 8.60 5.25 0.00 3.88 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 37 F 9.13 4.91 0.00 2.97 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 0.00 0.00 0.00 0.00 38 T 8.73 4.76 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 39 F 8.91 5.60 0.00 3.06 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 40 K 9.70 4.29 0.00 1.88 1.73 0.00 1.22 0.00 0.00 1.45 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.64 1.59 7.81 41 A 7.91 4.29 1.24 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 42 G 8.87 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 0.00 0.00 0.00 43 Q 8.17 4.51 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 44 E 8.70 4.86 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 45 L 8.68 4.07 0.00 1.26 1.25 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.62 0.00 2.01 2.01 0.00 3.84 0.00 0.00 3.97 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 47 V 8.29 3.94 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 0.83 0.00 0.00 1.00 0.00 0.00 48 H 8.95 4.97 0.00 3.14 3.32 0.00 5.36 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.13 4.97 0.00 3.98 3.78 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 0.00 0.00 0.00 50 H 8.84 4.85 0.00 3.16 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.58 4.88 0.00 2.71 2.80 0.00 0.00 6.79 7.45 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 52 I 7.02 4.73 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 1.45 0.65 0.95 0.00 0.00 53 E 8.43 4.11 0.00 1.99 1.92 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 2.32 2.25 0.00 54 G 8.59 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 E 9.27 5.36 0.00 1.85 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 2.32 2.21 0.00 56 L 8.88 5.39 0.00 1.74 1.67 0.75 0.61 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 57 N 9.20 5.52 0.00 2.82 2.87 0.00 0.00 6.99 7.49 0.00 0.00 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 I 8.73 4.97 1.81 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 1.12 0.62 1.14 0.00 0.00 59 V 9.07 4.82 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 1.07 0.00 0.00 0.98 0.00 0.00 60 V 8.86 4.27 2.23 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 0.82 0.00 0.00 0.88 0.00 0.00 61 L 8.92 4.25 0.00 1.69 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.11 4.55 0.00 1.89 1.82 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 2.27 2.45 0.00 63 G 8.80 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 0.00 0.00 0.00 0.00 64 E 8.64 4.89 0.00 1.82 1.71 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 2.17 2.22 0.00 65 G 8.50 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 66 E 8.88 5.06 0.00 1.70 1.69 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 2.11 2.15 0.00 67 F 8.98 4.95 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 9.00 4.77 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 1.06 0.00 0.00 0.89 0.00 0.00 69 G 8.79 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 0.00 0.00 0.00 0.00 70 D 8.45 4.37 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.15 3.72 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 0.00 0.00 0.00 72 D 8.37 4.41 0.00 2.87 2.62 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 0.00 0.00 0.00 0.00 73 A 7.54 4.38 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 74 V 8.32 5.01 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 0.79 0.00 0.00 0.95 0.00 0.00 75 I 8.77 4.68 2.07 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 1.27 0.71 1.04 0.00 0.00 76 P 0.00 4.39 0.00 1.90 1.95 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 2.02 2.08 0.00 77 A 8.45 4.42 0.15 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 0.00 0.00 78 P 0.00 4.64 0.00 2.11 2.16 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 79 R 7.58 3.93 0.00 2.13 1.91 0.00 3.40 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 80 G 9.28 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 0.00 0.00 0.00 81 A 8.16 4.50 1.43 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 82 V 8.36 4.90 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 0.76 0.00 0.00 0.90 0.00 0.00 83 L 8.37 4.23 0.00 0.27 0.54 0.57 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.12 4.82 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.70 4.75 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.18 1.97 0.00 3.59 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 2.10 2.09 0.00 87 I 8.55 3.73 1.89 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 1.35 0.60 0.99 0.00 0.00 88 S 7.87 4.92 0.00 3.99 4.07 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 89 T 7.46 4.45 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 1.20 0.00 0.00 90 P 0.00 4.61 0.00 2.04 1.94 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 91 H 8.99 5.16 0.00 3.06 3.26 0.00 5.23 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 92 G 9.30 4.51 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 93 V 8.31 4.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 94 R 8.73 4.70 0.00 1.74 1.57 0.00 3.28 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 95 A 8.67 4.24 1.24 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 96 V 8.63 3.76 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 0.76 0.00 0.00 0.85 0.00 0.00 97 T 7.47 4.45 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 1.24 0.00 0.00 98 D 8.12 4.89 0.00 2.77 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 *100 K 8.24 4.66 0.00 1.88 1.76 0.00 1.53 0.00 0.00 1.85 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.63 7.81 101 V 9.10 5.11 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 0.82 0.00 0.00 1.30 0.00 0.00 102 L 9.05 5.09 0.00 1.72 1.49 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.39 4.95 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 0.90 0.00 0.00 1.17 0.00 0.00 104 T 8.79 4.98 4.17 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 0.00 0.00 0.00 1.00 0.00 0.00 105 I 9.06 4.97 1.91 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 1.19 0.96 0.93 0.00 0.00 106 A 9.30 5.01 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 0.00 107 P 0.00 4.86 0.00 1.96 2.00 0.00 3.70 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 2.03 2.08 0.00 108 P 0.00 4.50 0.00 2.21 2.12 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 109 I 8.15 3.89 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.