NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6910 8.2714 118.2070 52.5814 38.9126 174.5716 12 G 3.4573 8.3678 103.8018 46.5812 0.0000 170.7369 13 V 3.5999 8.0374 120.3405 66.0965 31.8826 175.8024 14 H 4.1159 8.8347 118.0945 59.4066 29.6822 176.7413 15 D 4.2670 7.7248 120.3252 57.4612 40.5735 178.5128 16 F 4.0708 8.3748 120.9420 61.5724 39.2407 177.3582 17 I 3.7103 7.8868 119.0395 64.2660 36.9531 178.2215 18 L 3.8951 7.9569 119.9854 57.8604 41.6127 179.4885 19 V 3.5091 7.8049 118.1495 66.5131 31.3197 178.3758 20 R 3.9200 7.6458 116.9038 58.6901 29.9035 178.9886 21 A 3.9797 8.3622 121.5668 55.3821 18.4583 179.7673 22 T 3.8686 8.1468 108.2528 64.9603 68.6504 176.5071 23 A 4.0856 8.0345 123.2792 54.8924 18.4215 179.7239 24 I 3.6833 7.6742 118.0926 64.3590 37.1674 178.6873 25 V 3.6858 7.7444 118.8799 66.2700 31.3658 178.0600 26 L 4.1235 8.4809 118.9525 58.0552 41.3136 179.6818 27 T 3.9201 8.3027 115.9488 66.7743 68.3866 176.5547 28 L 4.1305 7.9431 120.3099 58.0789 41.5864 179.0220 29 Y 3.1496 8.2011 119.5055 60.4114 38.6088 178.1436 30 I 3.7026 8.1827 121.0361 64.2557 37.2012 178.3251 31 I 3.7040 8.0835 120.9900 64.5153 37.0744 177.7503 32 Y 4.0987 8.3456 120.5442 61.1378 38.7748 178.1980 33 M 4.0302 8.0954 119.7945 58.3522 32.0988 178.8963 34 V 3.8089 8.6173 118.9686 65.8632 31.3712 178.0217 35 G 3.6157 7.8853 104.7552 47.8125 0.0000 174.7888 36 F 4.0176 7.7767 123.1308 60.9224 39.0567 176.8371 37 F 3.4865 7.7748 114.9837 60.7494 38.8400 177.1841 38 A 4.3636 7.9097 116.2982 52.3542 19.3208 178.6616 39 T 4.5964 7.2896 108.3502 60.5805 69.3876 174.5983 40 S 4.2300 8.0148 112.2587 60.0922 66.1075 177.7379 41 G 3.6557 7.8560 109.4529 45.8042 0.0000 176.9908 42 E 3.7116 8.4867 130.2417 56.3309 29.1087 177.7971 43 L 4.4746 8.1452 128.9016 54.0341 41.6263 177.2000 44 T 4.0578 7.5256 113.6748 62.0399 68.6593 173.7848 45 Y 4.3189 8.8169 127.0238 60.6703 38.4537 178.4771 46 E 3.8948 8.6192 120.6162 59.2868 30.0484 178.9875 47 V 3.7567 7.8180 111.9643 63.9011 31.6162 178.1218 48 W 4.3884 8.3158 128.3476 60.8052 30.5308 178.0167 49 I 3.6961 7.7862 118.4001 63.5925 37.0258 178.2088 50 G 3.5371 7.8872 106.8312 47.4294 0.0000 175.4361 51 F 4.0415 7.7501 121.8543 61.0107 39.4392 176.5710 52 F 3.8248 7.6400 113.1748 57.8517 38.8318 176.4598 53 A 4.3736 7.2082 120.7767 51.8223 20.1708 177.8565 54 S 3.9861 7.0290 111.5016 58.2817 63.2243 174.6889 55 A 3.9345 8.8463 129.2935 55.5013 18.0621 179.6010 56 F 3.7285 8.1855 118.3973 61.7999 39.3551 177.3609 57 T 3.8185 7.7094 114.8111 66.1438 68.2076 176.9021 58 K 3.8300 7.9403 120.4705 59.3612 32.1342 179.4722 59 V 3.3671 7.8248 118.6425 66.0757 31.4665 177.6037 60 F 4.2331 7.5779 119.8382 61.8844 38.9485 177.3055 61 T 3.5922 7.8328 114.8807 66.3147 68.2878 176.9862 62 L 3.6898 7.7592 121.0511 57.3848 41.5781 179.0846 63 L 4.0961 8.4542 120.5533 58.3353 41.9937 179.0379 64 A 3.9281 7.9239 120.6438 54.8432 18.0471 179.6644 65 L 3.8947 7.8396 117.8322 57.8749 41.6452 179.6249 66 F 4.2805 8.1707 117.7782 60.7033 38.8722 177.7122 67 S 4.2276 8.2581 114.7486 61.9676 62.6425 177.0111 68 I 3.9112 7.9314 122.3123 63.9942 36.2953 178.0036 69 L 4.0169 8.1995 121.6050 58.6029 41.8883 179.1170 70 I 3.9804 7.9773 119.4451 64.3968 37.2298 177.3707 71 H 3.9780 8.8744 119.0270 59.9067 29.6494 177.0981 72 A 4.1528 8.4816 122.1214 54.6519 18.1103 179.5135 73 W 4.5241 8.0803 126.4224 60.8579 30.8882 178.2017 74 I 3.3114 7.7977 119.8793 64.1693 36.5418 178.5013 75 G 3.6829 8.1318 106.3445 48.3628 0.0000 175.6254 76 M 4.1926 8.5586 122.1661 57.5811 31.9587 178.6507 77 W 3.9674 8.3012 128.8012 60.3865 30.7736 178.0961 78 Q 3.5894 8.2274 117.9440 58.7522 28.2322 178.7267 79 V 3.4045 7.5780 119.1205 66.0165 31.4872 177.8803 80 L 3.9780 8.0302 119.0543 58.0349 41.3665 179.2116 81 T 3.8248 7.1180 106.0827 62.9034 68.8436 175.6818 82 D 4.1826 7.1060 121.4832 56.6502 41.2164 177.1835 83 Y 4.9390 7.1926 114.9247 57.6693 39.5395 175.8792 84 V 4.1280 8.0694 120.3513 61.1081 30.8317 175.7922 85 K 4.0731 8.5126 125.9194 58.6767 32.6089 177.1223 86 P 4.2991 0.0000 0.0000 62.3276 32.3936 176.7391 87 L 3.8997 8.6082 124.2840 58.2133 42.2274 178.6809 88 A 3.9822 8.0150 120.0640 55.3243 18.3667 179.0123 89 L 3.9111 7.9419 117.9939 58.4162 42.0764 179.0710 90 R 3.9345 7.9951 118.3739 59.3049 29.9480 178.3520 91 L 4.0581 8.1548 118.9121 58.1544 41.6667 179.3146 92 M 4.0476 8.1044 118.3834 58.6122 31.9102 178.8790 93 L 4.0509 8.0364 118.8726 57.9581 41.6935 179.6677 94 Q 4.1916 8.4776 118.1857 58.6751 28.5673 178.4640 95 L 3.8115 8.1860 121.6399 58.1513 42.0989 179.0383 96 V 3.5322 7.8026 118.0352 66.2315 31.3848 178.0632 97 I 3.6556 7.8946 119.3817 64.3258 36.8740 178.6968 98 V 3.1890 7.8328 119.4462 65.7034 31.2032 178.1201 99 V 3.4278 7.8119 117.9559 65.8782 31.2529 177.5536 100 A 3.8308 8.0812 120.7389 55.3911 18.0246 179.6734 101 L 3.3804 7.5959 117.2098 57.6946 41.5394 180.0138 102 V 3.5716 7.9618 118.5999 65.6894 31.4307 178.0511 103 V 3.6195 8.0242 118.4690 66.4042 31.2842 177.2507 104 Y 4.4122 8.2116 116.5048 61.6267 37.7659 179.3413 105 V 3.5683 7.7558 118.6792 65.9680 31.5940 178.1424 106 I 3.8262 8.1730 119.9574 64.6049 36.9606 177.8360 107 Y 4.3001 9.0111 120.9461 60.3488 38.6060 178.0148 108 G 3.5517 8.4763 107.0598 47.9332 0.0000 175.7207 109 F 3.9318 8.3538 120.5214 60.0183 38.6157 177.9409 110 V 3.7537 7.5251 117.4060 65.5141 31.3848 178.1398 111 V 3.5232 7.3833 117.2789 65.9074 31.7475 178.0268 112 V 3.9623 7.7942 114.2665 64.0788 31.4659 178.9444 *113 W 4.1517 7.3192 113.7903 56.8433 27.5247 178.3559 114 G 4.1948 7.8747 104.7072 45.8595 0.0000 173.5767 115 V 3.9626 7.8297 125.1073 62.7788 31.7715 175.0720 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 11 N 8.27 4.69 0.00 2.95 3.03 0.00 0.00 6.02 6.30 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 12 G 8.37 3.46 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 0.00 13 V 8.04 3.60 2.21 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 1.04 0.00 0.00 0.90 0.00 0.00 14 H 8.83 4.12 0.00 3.31 3.40 0.00 5.66 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 15 D 7.72 4.27 0.00 2.98 2.69 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 16 F 8.37 4.07 0.00 3.20 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 17 I 7.89 3.71 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.90 0.92 0.00 0.00 18 L 7.96 3.90 0.00 1.71 1.68 0.80 0.89 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 19 V 7.80 3.51 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 0.88 0.00 0.00 0.85 0.00 0.00 20 R 7.65 3.92 0.00 1.70 1.82 0.00 2.21 0.00 0.00 2.51 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 21 A 8.36 3.98 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 22 T 8.15 3.87 4.32 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 1.33 0.00 0.00 23 A 8.03 4.09 1.47 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 0.00 0.00 24 I 7.67 3.68 2.05 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 1.43 1.08 0.95 0.00 0.00 25 V 7.74 3.69 2.29 0.00 0.00 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 0.97 0.00 0.00 26 L 8.48 4.12 0.00 1.69 1.75 0.88 0.80 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 27 T 8.30 3.92 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 1.27 0.00 0.00 28 L 7.94 4.13 0.00 2.22 2.08 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.20 3.15 0.00 2.77 3.01 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 30 I 8.18 3.70 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 0.94 0.00 0.00 31 I 8.08 3.70 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 1.00 0.00 0.00 32 Y 8.35 4.10 0.00 3.12 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 33 M 8.10 4.03 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 34 V 8.62 3.81 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 1.02 0.00 0.00 0.93 0.00 0.00 35 G 7.89 3.62 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 0.00 0.00 0.00 36 F 7.78 4.02 0.00 2.41 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 37 F 7.77 3.49 0.00 3.09 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 38 A 7.91 4.36 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 0.00 0.00 0.00 0.00 0.00 39 T 7.29 4.60 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 1.15 0.00 0.00 40 S 8.01 4.23 0.00 3.58 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 41 G 7.86 3.66 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 0.00 0.00 0.00 42 E 8.49 3.71 0.00 1.96 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 2.33 0.00 43 L 8.15 4.47 0.00 1.60 1.61 0.92 0.86 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 44 T 7.53 4.06 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 1.32 0.00 0.00 45 Y 8.82 4.32 0.00 3.14 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 46 E 8.62 3.89 0.00 2.18 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 2.33 2.40 0.00 47 V 7.82 3.76 2.21 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 0.96 0.00 0.00 1.18 0.00 0.00 48 W 8.32 4.39 0.00 3.52 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 49 I 7.79 3.70 1.41 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.74 0.00 0.00 50 G 7.89 3.54 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 0.00 0.00 0.00 51 F 7.75 4.04 0.00 2.65 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 52 F 7.64 3.82 0.00 2.76 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 53 A 7.21 4.37 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 54 S 7.03 3.99 0.00 3.80 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 A 8.85 3.93 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 56 F 8.19 3.73 0.00 3.14 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 57 T 7.71 3.82 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 -0.07 0.00 0.00 58 K 7.94 3.83 0.00 1.84 1.74 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.49 7.81 59 V 7.82 3.37 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 0.65 0.00 0.00 0.86 0.00 0.00 60 F 7.58 4.23 0.00 2.77 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 61 T 7.83 3.59 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 1.25 0.00 0.00 62 L 7.76 3.69 0.00 1.50 1.39 0.25 -0.46 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 63 L 8.45 4.10 0.00 1.74 1.97 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.92 3.93 0.51 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 65 L 7.84 3.89 0.00 1.59 1.54 0.79 1.08 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 66 F 8.17 4.28 0.00 3.28 3.05 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 0.00 0.00 0.00 0.00 67 S 8.26 4.23 0.00 4.10 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 68 I 7.93 3.91 2.09 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 1.46 0.71 1.07 0.00 0.00 69 L 8.20 4.02 0.00 1.83 2.11 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.98 3.98 1.97 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 1.51 0.82 0.96 0.00 0.00 71 H 8.87 3.98 0.00 3.28 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.48 4.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.08 4.52 0.00 3.41 3.36 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 74 I 7.80 3.31 1.90 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 1.15 0.67 0.82 0.00 0.00 75 G 8.13 3.68 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 0.00 0.00 0.00 76 M 8.56 4.19 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.00 0.00 77 W 8.30 3.97 0.00 2.19 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 78 Q 8.23 3.59 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 79 V 7.58 3.40 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 1.26 0.00 0.00 1.00 0.00 0.00 80 L 8.03 3.98 0.00 1.72 1.64 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.12 3.82 3.66 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 0.25 0.00 0.00 82 D 7.11 4.18 0.00 2.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.19 4.94 0.00 2.98 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 84 V 8.07 4.13 2.15 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.51 4.07 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.40 7.81 86 P 0.00 4.30 0.00 2.16 1.99 0.00 3.61 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 2.12 2.15 0.00 87 L 8.61 3.90 0.00 1.77 1.68 0.96 1.00 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 88 A 8.02 3.98 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 89 L 7.94 3.91 0.00 1.78 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.00 3.93 0.00 2.09 2.04 0.00 3.02 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 91 L 8.15 4.06 0.00 1.92 1.75 0.96 0.90 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 92 M 8.10 4.05 0.00 2.05 2.29 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 2.63 2.90 0.00 93 L 8.04 4.05 0.00 1.89 1.78 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.48 4.19 0.00 2.42 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 3.07 2.64 0.00 95 L 8.19 3.81 0.00 1.82 1.84 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.80 3.53 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 97 I 7.89 3.66 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 1.05 0.00 0.00 98 V 7.83 3.19 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 0.72 0.00 0.00 -0.45 0.00 0.00 99 V 7.81 3.43 2.20 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 0.99 0.00 0.00 0.90 0.00 0.00 100 A 8.08 3.83 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 0.00 101 L 7.60 3.38 0.00 1.68 1.64 1.08 0.59 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 0.00 102 V 7.96 3.57 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 1.06 0.00 0.00 0.89 0.00 0.00 103 V 8.02 3.62 2.34 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 1.06 0.00 0.00 0.99 0.00 0.00 104 Y 8.21 4.41 0.00 3.25 3.01 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 0.00 105 V 7.76 3.57 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 0.68 0.00 0.00 0.85 0.00 0.00 106 I 8.17 3.83 2.07 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 1.40 0.59 0.97 0.00 0.00 107 Y 9.01 4.30 0.00 3.11 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 0.00 108 G 8.48 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.35 3.93 0.00 3.42 3.08 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 0.00 0.00 0.00 0.00 110 V 7.53 3.75 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 0.68 0.00 0.00 0.97 0.00 0.00 111 V 7.38 3.52 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 0.73 0.00 0.00 0.32 0.00 0.00 112 V 7.79 3.96 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 0.77 0.00 0.00 0.78 0.00 0.00 *113 W 7.32 4.15 0.00 2.62 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 0.00 0.00 0.00 0.00 114 G 7.87 4.19 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 0.00 115 V 7.83 3.96 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 0.75 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.