NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3375 8.3193 115.2915 58.3281 62.8728 174.6757 8 C 4.1799 8.7518 116.8371 57.0290 29.6898 171.5806 9 I 4.2923 8.4538 126.2004 59.4852 39.1938 176.1324 10 Q 4.3816 8.5539 126.3589 54.8000 30.0292 174.9791 11 F 4.4603 8.9223 125.1521 56.3267 38.4584 176.5389 12 T 4.0086 8.3844 117.1084 63.8619 69.0797 175.4727 13 R 4.3611 7.9491 120.8883 56.7072 30.7219 177.0714 14 H 4.2894 8.4503 117.2355 59.8422 29.9028 176.9875 15 A 3.9130 7.9694 122.3807 55.1230 18.2775 179.6006 16 S 4.1014 7.9876 112.3268 61.4830 63.1783 176.4239 17 D 4.3081 7.7622 122.7952 57.0152 40.4585 178.6295 18 V 3.5042 7.6950 118.7415 66.0135 31.5443 177.7517 19 L 3.8650 7.7579 119.8997 58.0637 41.8131 178.5731 20 L 3.9767 7.9625 120.1878 58.3998 41.9138 178.8206 21 N 4.3625 8.2465 116.3643 56.1986 38.4774 177.4359 22 L 4.0256 8.8456 121.7326 57.7590 41.5708 179.1528 23 N 4.3356 8.9791 117.4558 56.7159 38.9921 177.1613 24 R 3.9047 8.2973 119.7565 59.1887 30.1466 178.9471 25 L 4.0913 8.2660 119.0608 57.7402 41.5603 179.4561 26 R 3.7605 7.9413 118.4523 59.6800 29.8271 178.7056 27 S 4.0883 8.0617 113.1105 60.6795 62.8656 175.7924 28 R 4.3705 7.2164 117.3047 54.7450 30.5807 175.4929 29 D 4.3441 7.9885 117.3530 55.0844 40.4591 172.8685 30 I 4.1725 7.8159 118.3549 60.6805 37.9409 176.0553 31 L 3.6966 8.7466 124.1490 55.5249 39.3699 174.4451 32 T 4.0667 7.4529 107.6382 61.7328 69.0279 173.7088 33 D 5.0804 8.5726 123.8094 52.6774 41.2298 176.1460 34 V 4.7342 7.6195 118.7067 59.9862 35.4465 174.4722 35 V 4.6946 8.9490 123.3173 61.4286 33.7157 174.3885 36 I 4.7428 9.1940 130.6078 60.5489 38.8005 175.1319 37 V 4.6152 9.2324 129.0692 61.1054 33.0048 176.1853 38 V 4.7229 8.9631 131.2829 62.6326 31.2938 176.9887 *40 R 4.2599 8.2983 115.3925 55.4346 31.6884 175.2856 41 E 4.2767 8.3036 119.4594 56.1010 31.1792 175.4762 42 Q 5.0488 8.1814 120.9649 54.2387 31.2044 174.9307 43 F 4.9919 9.3313 122.9201 55.7398 42.2393 174.6993 44 R 5.1732 8.6777 121.1085 55.2913 32.4152 175.5839 45 A 4.5201 8.4067 122.1105 51.8389 23.2262 173.9037 46 H 5.2458 9.2693 113.6594 53.9962 30.8783 175.6571 47 K 3.3452 9.1109 125.2876 59.7098 31.7570 179.3493 48 T 3.7300 7.6414 109.1819 64.9092 68.5266 176.5042 49 V 3.4054 7.5716 121.0037 65.2560 31.4181 177.7688 50 L 3.9306 7.7582 118.7015 58.2049 41.2457 179.4767 51 M 4.3166 8.2595 117.4047 58.3158 31.9314 178.3154 52 A 4.2392 7.8669 119.8020 54.1577 18.7166 177.8318 53 C 4.4258 7.8096 113.4488 60.3026 29.7804 174.3164 54 S 4.6533 8.1376 113.4571 55.6068 64.2919 174.0632 55 G 4.1415 8.9205 118.7889 47.1758 0.0000 173.8161 56 L 3.8731 7.6537 122.3657 58.1465 42.1052 179.0584 57 F 4.3753 7.9590 117.6469 60.1864 38.5652 176.9361 58 Y 3.9942 7.9554 118.9815 60.8503 39.0278 177.9411 59 S 4.3787 8.0237 113.5864 61.6223 62.3510 176.0043 60 I 3.5838 7.3850 120.9858 64.1587 36.9329 177.5982 61 F 4.8013 7.8920 115.4509 57.8355 39.2189 176.3358 62 T 4.4777 7.3891 107.4372 61.3038 69.1025 174.2304 63 D 4.4784 7.9570 122.0349 56.3155 42.0984 176.5222 *68 N 4.6863 7.7540 114.8717 52.8734 39.9445 174.3231 69 L 4.4185 8.0163 117.3527 54.4706 42.9979 177.5506 70 S 4.6924 8.5944 115.7265 59.3964 64.4498 173.4504 71 V 5.0424 7.7268 120.3363 61.3254 34.3275 174.4381 72 I 4.7020 9.0916 127.9899 59.6858 40.7612 173.8927 73 N 4.8835 8.9214 124.2688 53.3462 39.6930 172.5093 74 L 4.0552 8.5983 122.5317 55.6805 42.7728 177.3587 *81 E 4.4991 8.9416 122.8112 56.7124 32.5047 177.6320 82 G 3.7193 8.1743 104.8800 47.9274 0.0000 175.0647 83 F 4.2431 8.1932 121.9814 60.2178 39.4735 176.8984 84 C 3.9009 7.9116 118.3564 62.4044 31.5764 175.1838 85 I 3.7058 7.8077 121.4011 64.5641 36.5765 178.4286 86 L 4.1768 7.9549 119.2926 57.0163 41.4369 179.3318 87 L 3.8442 7.3942 120.6581 58.0539 41.9768 178.1881 88 D 4.3723 8.0548 118.8624 57.5662 40.7724 178.5150 89 F 4.2600 8.0572 121.9746 61.4637 39.1790 177.3489 90 M 3.7626 7.5418 116.3866 58.1862 31.8914 177.5246 91 Y 4.4528 7.5726 113.0361 58.1523 38.5965 176.1267 92 T 4.4538 7.2710 107.9850 59.9372 70.3889 174.7308 93 S 3.1571 8.3427 116.7577 58.9379 60.4858 170.8258 94 R 4.6934 8.0695 119.6220 54.2528 32.4045 174.2841 95 L 4.9052 8.7283 124.5902 53.3789 43.5781 175.7416 96 N 4.8107 8.6404 124.0716 51.5462 38.2015 172.7957 97 L 4.7940 8.0304 121.7567 53.0359 43.7543 176.4640 98 R 4.7622 8.7081 120.7527 54.3763 34.4044 176.1173 99 E 3.9733 8.9720 118.7988 59.6937 29.5258 180.1282 100 G 3.5221 8.1709 106.1570 47.6580 0.0000 173.4158 101 N 4.9653 7.6462 114.4045 51.6108 39.1055 176.1086 102 I 3.6279 8.3853 120.0610 64.6355 37.7565 177.4901 103 M 4.0310 7.9804 118.5599 58.4540 31.9491 178.4989 104 A 3.7823 7.9392 120.4317 54.9427 18.6067 179.6748 105 V 3.5558 8.0157 117.0429 66.3450 31.5691 178.0390 106 M 3.9980 8.5529 118.1695 58.3918 31.9743 177.6735 107 A 4.0061 8.6571 121.9286 55.9823 18.5317 179.8506 108 T 4.0218 8.1365 113.5023 66.3324 68.5755 177.2975 109 A 4.0423 8.5718 123.4016 55.2683 18.2862 179.3699 110 M 3.9732 8.2112 117.3647 58.8444 31.8735 178.4350 111 Y 4.0664 7.5477 118.0022 60.6627 39.2682 177.5200 112 L 3.9405 8.1081 117.4997 55.0296 41.4180 177.6805 113 Q 3.6498 7.8106 117.6213 57.2939 26.5624 173.4218 114 M 4.6894 7.6578 120.1322 53.6825 30.9652 176.3605 115 E 3.9036 8.2164 123.4137 59.3514 29.9040 177.6103 116 H 4.2212 8.1178 115.9982 58.6512 28.8851 177.7451 117 V 3.4951 7.6651 119.7654 65.5801 31.2810 177.8529 118 V 3.4870 7.4432 118.2642 66.1619 31.4837 177.3779 119 D 4.4092 8.0625 118.4074 58.1863 40.8124 179.7444 120 T 3.9119 7.5260 114.1871 66.6238 68.3325 176.6922 121 C 4.1384 7.9370 118.8273 62.7989 28.0751 176.2101 122 R 4.0038 8.0981 118.2305 58.2534 29.2933 178.5408 123 K 4.3489 7.9536 120.3922 59.1796 32.6861 179.2419 *124 F 4.2925 7.6510 117.7049 60.6316 37.9145 178.9727 125 I 4.0556 7.7383 118.4354 64.3016 37.7832 177.9621 126 K 4.4670 7.5780 117.2055 55.9569 32.6618 176.4419 127 A 4.1886 7.5619 125.9610 53.5258 19.1944 176.4180 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 7 S 8.32 4.34 0.00 3.85 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 8 C 8.75 4.18 0.00 3.23 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 9 I 8.45 4.29 2.01 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 1.29 0.76 0.82 0.00 0.00 10 Q 8.55 4.38 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 11 F 8.92 4.46 0.00 3.02 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 12 T 8.38 4.01 4.26 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 1.21 0.00 0.00 13 R 7.95 4.36 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.62 0.00 14 H 8.45 4.29 0.00 3.34 3.44 0.00 5.64 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 15 A 7.97 3.91 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 16 S 7.99 4.10 0.00 4.04 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 17 D 7.76 4.31 0.00 2.82 2.75 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 0.00 0.00 0.00 18 V 7.69 3.50 2.09 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 0.92 0.00 0.00 0.77 0.00 0.00 19 L 7.76 3.87 0.00 1.84 1.59 0.75 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 3.98 0.00 1.86 1.94 0.92 0.46 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 21 N 8.25 4.36 0.00 3.00 2.84 0.00 0.00 7.05 6.32 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 22 L 8.85 4.03 0.00 1.76 1.82 0.82 0.44 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 23 N 8.98 4.34 0.00 3.21 2.99 0.00 0.00 7.17 7.52 0.00 0.00 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 R 8.30 3.90 0.00 2.02 1.97 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 25 L 8.27 4.09 0.00 1.93 1.77 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.94 3.76 0.00 1.50 1.76 0.00 2.57 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 27 S 8.06 4.09 0.00 3.94 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 28 R 7.22 4.37 0.00 1.97 1.94 0.00 3.38 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 29 D 7.99 4.34 0.00 2.74 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 30 I 7.82 4.17 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 1.30 1.18 0.92 0.00 0.00 31 L 8.75 3.70 0.00 1.79 1.75 0.91 0.93 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 32 T 7.45 4.07 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 1.07 0.00 0.00 33 D 8.57 5.08 0.00 2.64 2.75 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 0.00 0.00 0.00 34 V 7.62 4.73 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 0.75 0.00 0.00 1.12 0.00 0.00 35 V 8.95 4.69 2.22 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 1.10 0.00 0.00 0.96 0.00 0.00 36 I 9.19 4.74 2.27 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.77 0.00 0.00 37 V 9.23 4.62 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 0.94 0.00 0.00 1.02 0.00 0.00 38 V 8.96 4.72 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 1.02 0.00 0.00 0.37 0.00 0.00 *40 R 8.30 4.26 0.00 1.98 2.09 0.00 3.08 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 41 E 8.30 4.28 0.00 2.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 42 Q 8.18 5.05 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 43 F 9.33 4.99 0.00 3.29 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 44 R 8.68 5.17 0.00 1.66 1.81 0.00 3.20 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 45 A 8.41 4.52 1.33 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 0.00 0.00 46 H 9.27 5.25 0.00 3.14 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.11 3.35 0.00 1.39 1.05 0.00 1.29 0.00 0.00 1.11 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.26 7.81 48 T 7.64 3.73 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 1.12 0.00 0.00 49 V 7.57 3.41 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 0.22 0.00 0.00 0.71 0.00 0.00 50 L 7.76 3.93 0.00 1.72 1.30 0.54 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.26 4.32 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.91 0.00 52 A 7.87 4.24 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 53 C 7.81 4.43 0.00 2.99 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 54 S 8.14 4.65 0.00 4.03 4.29 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 0.00 0.00 0.00 0.00 55 G 8.92 4.14 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 0.00 0.00 0.00 56 L 7.65 3.87 0.00 1.41 1.25 0.55 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.96 4.38 0.00 3.57 3.34 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 58 Y 7.96 3.99 0.00 3.11 3.24 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 59 S 8.02 4.38 0.00 4.00 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 60 I 7.38 3.58 1.41 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.58 0.00 0.00 61 F 7.89 4.80 0.00 3.01 2.97 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 62 T 7.39 4.48 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 0.61 0.00 0.00 63 D 7.96 4.48 0.00 2.68 2.75 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 0.00 0.00 0.00 *68 N 7.75 4.69 0.00 2.79 2.90 0.00 0.00 6.92 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 69 L 8.02 4.42 0.00 1.71 1.65 0.96 0.99 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 70 S 8.59 4.69 0.00 3.92 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 71 V 7.73 5.04 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 0.89 0.00 0.00 0.97 0.00 0.00 72 I 9.09 4.70 2.07 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 1.45 1.40 0.95 0.00 0.00 73 N 8.92 4.88 0.00 2.60 2.74 0.00 0.00 6.99 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 74 L 8.60 4.06 0.00 1.34 1.28 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 8.94 4.50 0.00 2.16 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 0.00 2.33 2.43 0.00 82 G 8.17 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 0.00 0.00 0.00 0.00 83 F 8.19 4.24 0.00 3.10 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 C 7.91 3.90 0.00 3.42 3.19 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 85 I 7.81 3.71 2.07 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 1.04 0.93 0.00 0.00 86 L 7.95 4.18 0.00 1.62 1.70 1.04 0.28 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 87 L 7.39 3.84 0.00 1.17 1.51 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.05 4.37 0.00 3.08 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 89 F 8.06 4.26 0.00 3.17 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 90 M 7.54 3.76 0.00 1.86 2.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.68 0.00 91 Y 7.57 4.45 0.00 2.83 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 92 T 7.27 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 1.30 0.00 0.00 93 S 8.34 3.16 0.00 3.94 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 94 R 8.07 4.69 0.00 1.90 1.86 0.00 3.11 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 95 L 8.73 4.91 0.00 1.56 1.54 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.64 4.81 0.00 2.76 2.77 0.00 0.00 7.05 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 97 L 8.03 4.79 0.00 1.62 1.58 0.89 0.89 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 98 R 8.71 4.76 0.00 1.84 1.77 0.00 3.14 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 99 E 8.97 3.97 0.00 2.08 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 0.00 2.40 2.38 0.00 100 G 8.17 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.97 0.00 2.75 3.03 0.00 0.00 6.42 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 0.00 102 I 8.39 3.63 1.99 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 1.52 1.37 0.93 0.00 0.00 103 M 7.98 4.03 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 104 A 7.94 3.78 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 0.00 105 V 8.02 3.56 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 0.93 0.00 0.00 1.01 0.00 0.00 106 M 8.55 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 107 A 8.66 4.01 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 0.00 108 T 8.14 4.02 4.35 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 1.46 0.00 0.00 109 A 8.57 4.04 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 0.00 110 M 8.21 3.97 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 111 Y 7.55 4.07 0.00 2.86 3.15 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 0.00 112 L 8.11 3.94 0.00 1.87 1.76 1.31 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.81 3.65 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 114 M 7.66 4.69 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.83 0.00 115 E 8.22 3.90 0.00 2.01 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 2.29 2.36 0.00 116 H 8.12 4.22 0.00 3.27 3.36 0.00 5.87 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 0.00 117 V 7.67 3.50 1.94 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 0.79 0.00 0.00 0.33 0.00 0.00 118 V 7.44 3.49 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 1.04 0.00 0.00 1.01 0.00 0.00 119 D 8.06 4.41 0.00 2.97 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 0.00 120 T 7.53 3.91 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 1.18 0.00 0.00 121 C 7.94 4.14 0.00 3.11 2.95 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 0.00 122 R 8.10 4.00 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 123 K 7.95 4.35 0.00 1.82 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.57 7.81 *124 F 7.65 4.29 0.00 2.39 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 0.00 0.00 0.00 0.00 125 I 7.74 4.06 1.91 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 1.57 1.04 0.91 0.00 0.00 126 K 7.58 4.47 0.00 1.89 1.87 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.36 7.81 127 A 7.56 4.19 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.