NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8992 8.3544 109.7337 44.9541 0.0000 172.8679 4 Q 3.9039 8.3226 120.3359 55.1455 29.4742 174.2873 5 L 4.2955 9.0115 125.9222 54.9725 43.7616 177.7740 6 S 4.4725 8.6268 120.0861 56.8507 61.1945 173.3401 7 E 4.2760 7.2948 119.8878 57.4163 30.2774 178.1879 8 G 3.9573 9.1774 111.3655 45.4495 0.0000 175.0395 9 A 3.9484 8.3948 122.4976 55.2173 18.2860 179.6189 10 I 3.4578 8.1444 118.1361 64.5029 37.1169 178.3675 11 A 3.9012 7.9122 120.6475 55.0913 18.2332 179.3823 12 A 3.9337 7.9091 119.0699 55.3137 18.2737 179.7609 13 I 3.8531 7.7962 117.3037 65.1557 37.3165 178.4020 14 M 4.1692 8.0632 118.2759 57.7218 31.8253 178.1108 15 Q 4.4125 8.2976 117.0755 57.3423 29.9896 176.9104 16 K 4.2622 8.0297 115.8599 55.6620 32.6478 176.9881 17 G 3.8479 8.0633 106.4451 46.3471 0.0000 173.1647 18 D 4.5284 8.3052 119.8871 53.9034 41.1824 175.6992 19 T 4.1748 8.4051 115.2575 61.2418 69.5515 174.2115 20 N 4.4813 8.3294 121.4218 55.4171 39.3928 175.4708 21 I 4.1261 7.8937 110.5889 60.8594 38.7203 175.7691 22 K 5.3261 8.3748 120.0378 53.1702 31.4229 173.8651 23 P 4.4770 0.0000 0.0000 62.5202 33.6912 176.4314 24 I 4.6511 8.6290 123.6007 60.3971 38.4917 174.8545 25 L 5.1053 8.7326 126.7624 52.8278 45.8420 175.3157 26 Q 4.7905 8.6052 123.1003 54.7282 31.2427 174.7332 27 V 3.9282 8.4911 126.7872 63.0125 31.9943 176.5921 28 I 3.9087 9.0499 130.0269 63.9243 37.9567 175.9828 29 N 5.0201 7.7740 118.1520 52.2743 42.4286 172.9926 30 I 5.3304 8.2553 123.9561 59.4101 41.2448 174.4852 31 R 4.9826 9.0982 123.9370 54.4000 33.0441 172.2634 32 P 4.8322 0.0000 0.0000 62.1263 33.4883 175.1468 33 I 4.4624 8.4684 122.9855 59.9525 39.1071 175.0318 34 T 4.7017 8.2667 117.5512 61.0316 70.7910 174.1181 35 T 4.3029 8.6216 114.3624 61.7591 70.2448 174.2440 36 G 3.2457 7.6370 108.1298 46.7335 0.0000 173.5441 37 N 4.7334 8.5355 116.3411 52.7181 39.8092 174.1510 38 S 4.8067 7.5400 110.7332 54.8949 64.7495 172.1564 39 P 4.4236 0.0000 0.0000 61.8564 31.6468 174.1671 40 P 4.4142 0.0000 0.0000 62.9936 32.4117 175.1652 41 R 4.4080 8.2835 121.3091 55.1405 31.7390 174.5596 42 Y 4.9761 8.5313 124.1317 57.2354 39.9365 174.5625 43 R 5.2031 9.2065 122.9038 54.5638 32.8107 175.1698 44 L 5.2366 9.0598 121.8728 52.9419 46.2988 175.1227 45 L 5.1241 8.7060 125.0418 54.0280 43.7247 175.1154 46 M 5.1326 8.9841 125.5170 53.4425 36.0132 174.5905 47 S 5.2516 8.9466 115.6901 56.4485 65.8436 173.9597 48 D 4.9021 9.1853 124.6443 52.9929 39.5190 177.2195 49 G 3.9336 8.5336 109.8332 45.3706 0.0000 174.6453 50 L 4.4588 8.1489 120.2628 56.5058 43.7239 176.0242 51 N 6.3000 9.5040 115.4602 50.6729 42.5865 173.6187 52 T 5.1532 8.2911 110.7374 60.4526 72.1334 173.0589 53 L 5.0441 8.7568 124.3210 54.0099 45.5633 176.5367 54 S 4.7267 9.0914 119.4899 58.8372 64.0060 174.0605 55 S 4.7990 7.7265 116.2242 58.6728 64.1394 173.4005 56 F 5.0406 8.0357 118.4749 57.9946 40.4880 175.0831 57 M 5.3578 9.3093 121.6861 53.5603 36.4286 173.8808 58 L 5.0091 8.5760 122.8203 53.1424 43.9477 176.2057 59 A 4.1866 8.8942 128.1279 52.4049 19.1453 178.8109 60 T 3.9942 8.8392 117.6942 66.8049 68.2977 176.6788 61 Q 4.0222 8.2049 120.1712 58.4919 29.2882 177.2552 62 L 4.4762 7.9909 118.3476 54.6858 42.0511 177.8115 63 N 4.3711 8.1662 118.3510 56.2603 38.5951 175.1589 64 P 4.5105 0.0000 0.0000 64.9380 31.3063 178.5622 65 L 3.9807 7.9485 117.9020 57.4234 41.4359 179.7727 66 V 3.5455 7.3686 117.8064 66.0708 31.1826 177.7732 67 E 4.0489 8.2611 118.3187 58.8801 29.0243 178.2361 68 E 4.5485 8.1613 116.7340 55.5857 29.5272 176.9030 69 E 3.8599 7.8478 116.5755 57.1554 27.8078 175.6339 70 Q 3.9375 7.7083 119.4736 58.1796 28.8611 176.1177 71 L 4.4164 7.7461 121.3502 53.4140 42.2026 175.2611 72 S 4.5927 7.9790 119.4944 56.2559 66.1252 173.4940 73 S 4.2483 8.3519 117.2200 60.6970 62.8062 174.3801 74 N 4.6336 9.5714 123.7074 52.8264 37.7288 174.5161 75 C 4.5140 8.0847 113.0013 58.3221 31.2251 172.7206 76 V 4.7184 8.5375 120.1674 61.5096 33.4222 174.3690 77 C 5.3324 9.0986 124.5679 57.9529 32.7986 172.3328 78 Q 4.9203 8.9443 121.8833 54.4786 31.4282 174.2779 79 I 4.4014 8.6235 127.9467 61.1876 37.9375 176.1460 80 H 4.6813 9.1196 124.3979 57.1261 30.2435 175.7268 81 R 4.8151 7.9117 117.3809 55.1194 33.3524 173.7808 82 F 5.4753 8.0851 119.2343 55.9111 41.1672 173.1649 83 I 4.5996 8.9945 120.2031 59.4941 40.7012 174.6992 84 V 4.8096 8.4501 124.9284 61.3235 33.3701 174.2847 85 N 5.0866 9.1645 125.4719 51.8203 41.6698 173.7598 86 T 4.6418 8.2866 119.0951 61.9726 69.7909 175.1609 87 L 4.2721 8.7378 127.8517 54.1823 42.9238 178.0008 88 K 3.9865 9.0423 119.7037 61.1106 32.4314 179.0467 89 D 4.3883 7.4888 116.9375 56.9960 41.1097 177.8278 90 G 4.0675 7.5060 104.7497 45.3955 0.0000 174.1977 91 R 3.9691 7.9296 119.9404 56.6094 30.6849 175.1461 92 R 5.0683 8.2602 122.9084 55.0904 32.2311 176.0401 93 V 4.5517 8.6808 114.2187 59.6328 36.5372 174.5020 94 V 4.6711 8.4465 123.7677 61.1864 33.9906 174.1579 95 I 4.9311 8.7941 129.2824 59.6023 39.4304 174.8085 96 L 4.5911 9.1149 128.6735 54.9970 41.8884 177.3416 97 M 4.2997 9.2153 124.7684 56.7278 33.5452 177.0177 98 E 4.9461 7.9977 116.8105 54.6243 34.0174 174.7523 99 L 5.2012 8.3804 122.3489 54.8501 43.7164 174.0350 100 E 4.7675 9.1495 117.4779 54.4154 33.0021 174.9271 101 V 4.0337 8.4093 122.6937 62.9831 31.6669 175.4613 102 L 4.4027 8.9238 128.7171 56.6568 42.8872 177.4955 103 K 4.6691 7.6957 119.3706 54.5284 35.5260 176.1479 104 S 4.4360 8.9135 121.4493 58.1127 63.8628 175.0274 105 A 4.0548 8.5592 124.0773 55.3394 18.3770 180.0092 106 E 4.0668 7.6210 114.9250 59.1828 29.6702 178.2613 107 A 4.1223 7.5557 120.5250 54.1151 18.5951 177.2989 108 V 4.3737 7.2515 112.9194 60.9067 34.7828 174.9806 109 G 3.7732 8.5909 113.9934 44.6594 0.0000 174.7093 110 V 3.3772 8.1790 127.3956 61.0747 31.3285 171.3288 111 K 4.1286 8.4998 118.4875 56.8795 32.5345 177.2754 112 I 3.9613 9.1033 127.7216 61.6901 38.2064 177.7865 113 G 3.8289 8.6372 113.8147 45.8641 0.0000 172.9100 114 N 4.9771 8.3343 110.8952 50.8932 38.8854 173.1603 115 P 4.5433 0.0000 0.0000 63.2592 32.8017 177.2797 116 V 4.3558 8.6980 122.1462 60.5186 33.5874 173.2765 117 P 5.0086 0.0000 0.0000 62.7981 31.5827 175.5776 118 Y 4.2907 9.0366 125.9143 57.5680 39.9685 175.1581 119 N 4.6432 6.9986 122.8642 53.3152 41.2706 175.2174 *120 E 4.7352 8.6508 118.4945 56.7633 30.7198 173.5165 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 3 G 8.35 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 4 Q 8.32 3.90 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 5 L 9.01 4.30 0.00 1.71 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.63 4.47 0.00 3.92 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 7 E 7.29 4.28 0.00 1.95 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 2.55 2.28 0.00 8 G 9.18 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 0.00 0.00 0.00 9 A 8.39 3.95 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 10 I 8.14 3.46 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.39 0.00 0.00 11 A 7.91 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.91 3.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.85 1.84 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.82 0.00 0.00 14 M 8.06 4.17 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 15 Q 8.30 4.41 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 16 K 8.03 4.26 0.00 1.89 1.86 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.40 7.81 17 G 8.06 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 18 D 8.31 4.53 0.00 2.70 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 19 T 8.41 4.17 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 1.06 0.00 0.00 20 N 8.33 4.48 0.00 2.70 2.89 0.00 0.00 7.13 8.05 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 21 I 7.89 4.13 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.94 1.09 0.00 0.00 22 K 8.37 5.33 0.00 1.62 1.74 0.00 1.82 0.00 0.00 2.46 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.28 7.81 23 P 0.00 4.48 0.00 2.03 2.12 0.00 3.89 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 1.95 1.84 0.00 24 I 8.63 4.65 1.98 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 1.20 0.67 0.91 0.00 0.00 25 L 8.73 5.11 0.00 1.35 1.40 0.60 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.61 4.79 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 27 V 8.49 3.93 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 0.85 0.00 0.00 0.83 0.00 0.00 28 I 9.05 3.91 1.97 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 1.07 0.92 0.91 0.00 0.00 29 N 7.77 5.02 0.00 2.81 2.60 0.00 0.00 6.56 7.98 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 30 I 8.26 5.33 1.84 0.00 0.00 0.64 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 1.28 0.86 0.00 0.00 31 R 9.10 4.98 0.00 1.92 2.00 0.00 2.84 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 32 P 0.00 4.83 0.00 1.95 1.95 0.00 3.78 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 1.95 2.04 0.00 33 I 8.47 4.46 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 0.88 0.00 0.00 34 T 8.27 4.70 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 1.15 0.00 0.00 35 T 8.62 4.30 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 1.18 0.00 0.00 36 G 7.64 3.25 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 0.00 37 N 8.54 4.73 0.00 2.68 2.79 0.00 0.00 6.66 7.63 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 38 S 7.54 4.81 0.00 3.84 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 39 P 0.00 4.42 0.00 2.22 2.05 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 40 P 0.00 4.41 0.00 1.24 1.80 0.00 3.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 41 R 8.28 4.41 0.00 1.92 1.76 0.00 3.16 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 42 Y 8.53 4.98 0.00 3.01 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 43 R 9.21 5.20 0.00 1.74 1.87 0.00 3.27 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 44 L 9.06 5.24 0.00 1.61 1.46 1.05 0.61 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 45 L 8.71 5.12 0.00 1.77 1.55 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.98 5.13 0.00 1.35 1.04 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 47 S 8.95 5.25 0.00 3.80 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 48 D 9.19 4.90 0.00 3.00 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 49 G 8.53 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 0.00 0.00 0.00 50 L 8.15 4.46 0.00 1.79 1.85 0.94 0.68 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 51 N 9.50 6.30 0.00 2.70 2.82 0.00 0.00 6.19 6.91 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 52 T 8.29 5.15 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 1.23 0.00 0.00 53 L 8.76 5.04 0.00 1.83 1.83 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.09 4.73 0.00 4.07 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 55 S 7.73 4.80 0.00 3.90 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 56 F 8.04 5.04 0.00 3.33 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 57 M 9.31 5.36 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 58 L 8.58 5.01 0.00 1.76 1.71 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.89 4.19 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 60 T 8.84 3.99 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 1.24 0.00 0.00 61 Q 8.20 4.02 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 62 L 7.99 4.48 0.00 1.90 1.68 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.17 4.37 0.00 3.04 3.05 0.00 0.00 6.92 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 64 P 0.00 4.51 0.00 2.15 2.12 0.00 4.00 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 2.13 2.07 0.00 65 L 7.95 3.98 0.00 1.81 1.66 0.91 0.80 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 66 V 7.37 3.55 1.56 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 0.33 0.00 0.00 0.49 0.00 0.00 67 E 8.26 4.05 0.00 2.19 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 0.00 2.41 2.55 0.00 68 E 8.16 4.55 0.00 2.01 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 2.43 2.47 0.00 69 E 7.85 3.86 0.00 2.13 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 0.00 2.20 2.24 0.00 70 Q 7.71 3.94 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 71 L 7.75 4.42 0.00 1.51 1.48 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.98 4.59 0.00 3.94 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 73 S 8.35 4.25 0.00 3.86 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 74 N 9.57 4.63 0.00 2.74 3.27 0.00 0.00 6.32 8.28 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 75 C 8.08 4.51 0.00 3.13 3.09 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 76 V 8.54 4.72 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 1.06 0.00 0.00 0.90 0.00 0.00 77 C 9.10 5.33 0.00 2.77 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 78 Q 8.94 4.92 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.02 2.46 0.00 79 I 8.62 4.40 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 1.10 0.00 0.00 80 H 9.12 4.68 0.00 3.08 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.91 4.82 0.00 1.87 1.75 0.00 3.14 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 82 F 8.09 5.48 0.00 3.21 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 83 I 8.99 4.60 1.92 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 1.08 0.80 0.92 0.00 0.00 84 V 8.45 4.81 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 0.87 0.00 0.00 1.09 0.00 0.00 85 N 9.16 5.09 0.00 2.67 2.67 0.00 0.00 6.50 7.31 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 86 T 8.29 4.64 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 1.21 0.00 0.00 87 L 8.74 4.27 0.00 1.74 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.04 3.99 0.00 1.71 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 89 D 7.49 4.39 0.00 2.73 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 90 G 7.51 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 0.00 0.00 0.00 91 R 7.93 3.97 0.00 1.85 1.80 0.00 3.17 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 92 R 8.26 5.07 0.00 1.70 1.80 0.00 3.22 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 93 V 8.68 4.55 2.04 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 0.70 0.00 0.00 0.98 0.00 0.00 94 V 8.45 4.67 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 0.99 0.00 0.00 0.46 0.00 0.00 95 I 8.79 4.93 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 1.02 0.00 0.00 96 L 9.11 4.59 0.00 1.68 1.70 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 M 9.22 4.30 0.00 1.91 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 98 E 8.00 4.95 0.00 2.02 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 2.31 2.32 0.00 99 L 8.38 5.20 0.00 1.75 1.63 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.15 4.77 0.00 2.01 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 0.00 2.26 2.25 0.00 101 V 8.41 4.03 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 0.83 0.00 0.00 0.96 0.00 0.00 102 L 8.92 4.40 0.00 1.64 1.69 0.93 0.70 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 0.00 103 K 7.70 4.67 0.00 1.76 1.57 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 104 S 8.91 4.44 0.00 4.20 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 0.00 105 A 8.56 4.05 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 0.00 106 E 7.62 4.07 0.00 1.96 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 0.00 2.33 2.29 0.00 107 A 7.56 4.12 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 0.00 108 V 7.25 4.37 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 0.82 0.00 0.00 0.92 0.00 0.00 109 G 8.59 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 0.00 110 V 8.18 3.38 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 0.88 0.00 0.00 0.92 0.00 0.00 111 K 8.50 4.13 0.00 1.75 1.69 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.46 7.81 112 I 9.10 3.96 1.95 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 0.64 0.90 0.00 0.00 113 G 8.64 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 0.00 114 N 8.33 4.98 0.00 2.61 2.68 0.00 0.00 6.82 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 0.00 115 P 0.00 4.54 0.00 2.20 2.06 0.00 3.87 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 1.99 1.97 0.00 116 V 8.70 4.36 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 0.95 0.00 0.00 0.94 0.00 0.00 117 P 0.00 5.01 0.00 1.99 2.04 0.00 3.79 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 118 Y 9.04 4.29 0.00 3.02 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 0.00 119 N 7.00 4.64 0.00 2.44 2.54 0.00 0.00 6.71 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 *120 E 8.65 4.74 0.00 1.98 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 1.98 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.