NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3479 8.3027 120.2429 55.7217 31.9100 176.8707 4 W 4.0938 8.2040 129.7189 59.5252 30.8640 176.2689 5 A 3.8241 8.3046 120.5068 55.0617 16.9810 178.5285 6 L 3.6108 8.0799 117.5843 57.2106 42.0323 178.1443 7 A 4.4413 6.9573 116.6670 53.8285 20.0369 178.3117 8 D 3.9427 8.3511 117.3073 57.3338 41.2468 178.2248 9 A 3.9429 8.8555 122.1435 55.2657 18.3654 179.4899 10 I 3.5825 7.0537 118.0967 64.7136 37.1512 178.7518 11 V 3.7114 8.2449 119.1746 65.9019 31.2571 177.8226 12 R 3.8687 8.3834 118.7203 59.8158 29.9774 178.2639 13 T 3.8901 8.1547 115.7264 66.8865 68.6596 176.2487 14 V 3.7016 8.2133 120.0084 66.4821 31.5578 178.1522 15 L 4.1516 8.3944 118.5258 57.5959 41.5846 179.1743 16 D 4.5467 8.3780 118.9399 57.0819 40.7380 177.9937 17 Y 4.0756 7.7900 118.7496 60.1655 38.9800 176.8408 18 A 4.1835 8.0375 120.1850 53.7031 18.4796 179.2004 19 Q 3.9297 8.3488 119.4308 58.6574 29.1668 177.1530 20 R 4.3638 7.4298 113.0228 56.5299 29.8399 176.3773 21 E 4.2910 7.3887 116.4451 55.2261 31.3568 175.7377 22 G 3.8975 7.4432 107.3425 46.2725 0.0000 173.4905 23 A 4.3297 7.7250 119.7077 51.4595 19.8155 178.3490 24 S 4.3913 8.3426 114.1367 59.9443 64.0852 174.9545 25 R 4.3170 7.3409 117.6952 55.0478 32.5776 174.2178 26 V 3.6484 8.1692 126.1839 62.9248 31.5697 174.1416 27 K 4.3082 7.9103 126.1505 56.8265 32.6759 174.7497 28 A 5.0808 7.6294 121.1200 48.9181 22.9918 174.8540 29 V 4.1875 8.4665 121.7206 61.0732 34.2290 174.3432 30 R 4.6104 8.6475 129.4949 55.2751 30.6832 175.2541 31 V 4.3455 8.5254 127.2942 61.4852 33.7151 174.5173 32 V 5.0482 8.2017 126.5649 60.3689 33.5595 174.5497 33 L 4.6848 8.2543 126.8199 52.5163 45.3935 176.6879 34 G 4.1788 8.6238 112.6638 44.5121 0.0000 174.1234 35 E 4.1002 8.5042 118.5024 57.9919 29.7338 177.7181 36 L 4.2350 7.6273 118.1925 55.6893 42.2391 176.7968 37 Q 4.3522 7.5715 117.7338 55.3930 29.5834 174.8842 38 D 4.9028 8.3588 117.5535 54.0693 41.7186 176.0438 39 V 3.9439 7.6593 110.0574 59.6569 32.6820 176.3626 40 A 4.1736 8.4237 126.1412 51.9451 19.2357 178.4600 41 E 4.2066 8.8536 125.3809 59.7837 29.8665 179.1593 42 D 4.5147 8.2052 118.6852 56.3644 39.3484 178.6343 43 I 3.9158 7.8024 121.1542 64.0537 37.2432 178.0594 44 V 3.8076 7.5839 117.7687 66.0585 31.3066 178.0419 45 K 3.7845 8.0548 117.6331 59.4994 31.9526 178.8023 46 F 4.7112 8.3753 121.2486 60.7968 38.8987 176.6773 47 A 4.1133 8.4581 120.3814 55.6297 17.9561 179.5883 48 M 3.4395 8.1876 116.9330 58.5305 32.1735 178.7472 49 E 3.8846 8.5191 119.0417 59.5150 29.2954 179.7770 50 Q 3.8397 7.4461 117.1803 59.0289 28.9346 178.3910 51 L 4.1363 7.0778 117.9725 57.8136 41.8184 179.3719 52 F 4.6235 8.5769 118.0501 59.1727 38.8855 175.8493 53 A 4.1343 7.5288 120.8635 54.0872 18.4837 177.4297 54 G 4.0150 8.7002 110.4094 45.4436 0.0000 173.7053 55 T 4.3532 7.8639 110.5096 60.2771 70.8858 174.9703 56 I 4.0258 8.0337 112.4202 61.5954 38.1465 176.7605 57 A 3.8470 7.9807 124.9187 52.6878 19.2400 177.2656 58 E 4.1063 7.1150 115.7601 57.7935 29.9697 177.3207 59 G 3.8561 8.9193 112.6311 44.8757 0.0000 173.1044 60 A 4.9733 7.6752 124.6418 52.1272 18.8100 178.1040 61 E 4.0978 8.9270 121.6696 56.9795 30.7813 172.3349 62 I 4.6119 8.2275 126.1676 58.9460 39.5767 175.3526 63 E 4.4122 8.2787 125.2253 54.9516 32.7940 173.9553 64 F 5.4913 8.6529 125.8933 56.7676 40.8273 175.7823 65 V 4.3273 9.0196 122.2602 60.7709 33.9027 174.3719 66 E 4.8561 8.8501 129.2150 56.1252 30.6391 176.2847 67 E 4.6028 8.4364 126.1270 53.7141 31.1949 173.7809 68 E 4.1864 8.2297 123.6112 52.9859 32.4396 176.2822 69 A 4.2938 9.5708 122.7591 51.0592 20.5022 177.1398 70 V 4.2892 7.5741 114.9722 59.6475 35.5633 174.2814 71 F 4.8136 7.6846 120.2572 54.6203 41.2395 174.2147 72 K 4.6207 8.3452 119.7586 54.5927 34.6226 175.1385 73 C 4.6315 8.8053 127.6954 58.5902 31.4434 174.9759 74 R 4.0480 8.8242 126.8599 59.3851 29.2223 175.1756 75 N 4.4715 8.3486 115.9183 55.7935 39.1990 174.9101 76 C 4.5409 7.6949 111.0589 59.4388 29.9769 174.5563 77 N 4.6319 10.2550 115.9216 52.9307 38.4378 173.0129 78 Y 4.2002 7.9409 118.5531 58.5019 39.5885 174.1348 79 E 4.8565 8.5368 128.5753 55.4254 30.9553 175.1656 80 W 5.3624 8.8570 121.8049 55.3184 32.3436 173.7330 81 K 4.6057 8.6944 119.7150 54.5083 33.7565 177.5048 82 L 4.1484 8.2585 125.6492 58.9663 41.7069 180.3314 83 K 4.0900 8.1356 122.7458 59.3004 31.5551 182.9427 84 E 4.3827 9.1633 120.4794 60.5833 29.5074 180.1472 85 V 3.8721 8.3261 119.9125 65.4018 31.8917 181.1866 86 K 4.3718 7.9986 120.7777 60.0053 31.8270 179.2277 87 D 4.5266 8.0512 123.9465 58.8546 39.9692 183.9021 88 K 4.4745 8.1030 125.2733 58.9465 31.3951 181.5458 *89 F 4.5483 8.0374 123.0861 63.1724 37.8343 183.2852 90 D 4.8408 8.8079 122.7783 58.6877 39.7535 182.1857 91 E 4.4257 8.1401 119.2703 61.8938 29.8463 183.8224 92 R 4.3385 7.5439 121.5112 61.2195 29.9621 181.3491 93 I 4.0477 6.8807 118.0336 60.1554 36.4484 178.0669 *102 E 4.5053 8.8648 122.2361 56.1545 31.8163 177.5936 103 V 3.6503 7.8963 118.6180 66.1946 31.9030 180.1161 104 V 4.1530 7.7923 118.4216 66.0488 31.3836 177.7877 105 H 4.3043 8.2924 112.8900 58.2203 28.4791 176.7321 106 A 3.8905 7.7178 122.3566 53.1032 18.8893 177.4173 107 F 5.0915 8.0236 118.9617 58.1576 39.3026 176.4285 108 L 4.7429 7.8683 114.7465 53.8636 42.6043 178.1792 109 A 4.5350 7.7505 122.4309 50.8234 21.0395 177.1302 110 C 4.1031 8.5821 119.4735 59.5739 31.7463 172.0715 111 P 4.4128 0.0000 0.0000 65.1184 31.1905 177.2095 112 K 4.1292 7.7638 120.3264 57.9683 33.2496 177.9692 113 C 4.7353 7.6627 119.0375 57.8975 30.8356 173.1794 114 G 3.9434 8.9129 105.0723 47.6043 0.0000 174.9364 115 S 3.3728 8.8056 114.1508 59.3508 62.9649 173.2474 116 H 4.3913 11.2100 115.0142 55.1187 26.9836 173.6446 117 D 4.5670 7.7109 119.4512 52.0855 42.3684 175.0634 118 F 5.0066 7.4676 119.9140 55.3836 40.9341 172.8588 119 E 4.6938 8.6982 122.0394 54.1851 31.5155 175.5255 120 V 3.8329 8.5478 126.2362 62.5521 31.7705 173.8316 121 V 4.0250 7.7030 126.9528 63.9692 33.1976 175.7387 122 K 4.0934 7.8675 120.4819 57.2271 32.9949 177.8757 123 G 3.8191 8.6445 109.7598 46.7021 0.0000 174.8431 124 R 4.0676 8.6563 113.5275 56.2656 27.0496 174.1974 125 G 4.4128 7.7099 104.6713 44.6436 0.0000 172.9867 126 V 4.4063 8.2084 120.8085 60.9841 34.4459 174.0671 127 Y 4.6684 7.5894 122.7904 56.0383 40.1994 174.6537 128 V 3.8153 8.3569 120.7372 62.0842 30.4839 175.4986 129 A 4.4170 8.4032 130.8089 53.9461 18.9686 177.5184 130 G 4.2285 7.4799 101.8364 44.7938 0.0000 172.8911 131 I 4.5581 8.1866 122.4287 59.2378 40.9411 174.7452 132 K 4.4867 8.7647 124.5140 54.5476 33.7093 175.3352 133 I 4.5826 8.2016 116.3465 58.8323 40.5205 174.1770 134 E 4.6974 8.5036 119.3381 54.3404 31.5901 175.8450 135 K 4.6059 8.5683 125.7777 55.1586 35.5254 175.5508 *136 E 4.7593 8.7289 120.3306 54.0483 33.1373 175.0761 137 G 3.8006 8.5106 111.5564 45.0977 0.0000 172.3754 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 E 8.30 4.35 0.00 2.22 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 2.53 2.39 0.00 4 W 8.20 4.09 0.00 3.48 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 5 A 8.30 3.82 1.37 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 0.00 0.00 0.00 6 L 8.08 3.61 0.00 1.74 1.65 0.84 0.99 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 7 A 6.96 4.44 1.08 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 0.00 0.00 8 D 8.35 3.94 0.00 2.40 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 9 A 8.86 3.94 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 10 I 7.05 3.58 1.96 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 1.37 0.62 0.88 0.00 0.00 11 V 8.24 3.71 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 1.17 0.00 0.00 0.67 0.00 0.00 12 R 8.38 3.87 0.00 1.82 2.12 0.00 3.43 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 13 T 8.15 3.89 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 V 8.21 3.70 2.40 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 1.12 0.00 0.00 1.08 0.00 0.00 15 L 8.39 4.15 0.00 1.77 1.72 0.95 1.35 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 16 D 8.38 4.55 0.00 2.95 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 17 Y 7.79 4.08 0.00 3.07 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 18 A 8.04 4.18 1.37 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 0.00 0.00 0.00 19 Q 8.35 3.93 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 20 R 7.43 4.36 0.00 1.96 1.96 0.00 3.01 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 21 E 7.39 4.29 0.00 1.86 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 0.00 1.62 1.47 0.00 22 G 7.44 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 23 A 7.72 4.33 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 24 S 8.34 4.39 0.00 3.96 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 25 R 7.34 4.32 0.00 1.69 1.75 0.00 3.20 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 26 V 8.17 3.65 1.76 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 0.67 0.00 0.00 0.86 0.00 0.00 27 K 7.91 4.31 0.00 1.89 1.61 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.48 7.81 28 A 7.63 5.08 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 29 V 8.47 4.19 2.18 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 1.01 0.00 0.00 0.99 0.00 0.00 30 R 8.65 4.61 0.00 1.85 1.83 0.00 3.28 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 31 V 8.53 4.35 2.52 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 0.70 0.00 0.00 1.04 0.00 0.00 32 V 8.20 5.05 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 1.22 0.00 0.00 0.92 0.00 0.00 33 L 8.25 4.68 0.00 1.47 1.35 0.28 0.49 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 34 G 8.62 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 35 E 8.50 4.10 0.00 2.05 2.18 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 2.14 2.26 0.00 36 L 7.63 4.24 0.00 1.60 1.73 0.86 0.94 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 37 Q 7.57 4.35 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.36 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 38 D 8.36 4.90 0.00 2.58 2.59 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 0.00 0.00 0.00 39 V 7.66 3.94 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 0.71 0.00 0.00 0.81 0.00 0.00 40 A 8.42 4.17 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 41 E 8.85 4.21 0.00 2.18 2.46 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 2.13 2.32 0.00 42 D 8.21 4.51 0.00 2.94 2.98 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 43 I 7.80 3.92 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 1.07 0.00 0.00 44 V 7.58 3.81 2.55 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 1.18 0.00 0.00 0.94 0.00 0.00 45 K 8.05 3.78 0.00 2.07 1.79 0.00 1.25 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.05 1.53 7.81 46 F 8.38 4.71 0.00 3.20 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 47 A 8.46 4.11 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 0.00 0.00 0.00 0.00 0.00 48 M 8.19 3.44 0.00 1.33 1.96 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.18 0.00 49 E 8.52 3.88 0.00 1.91 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 2.43 0.00 50 Q 7.45 3.84 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 1.70 2.34 0.00 51 L 7.08 4.14 0.00 1.54 1.68 0.49 0.79 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 52 F 8.58 4.62 0.00 3.15 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 53 A 7.53 4.13 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 54 G 8.70 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 0.00 0.00 0.00 55 T 7.86 4.35 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 1.34 0.00 0.00 56 I 8.03 4.03 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.93 0.00 0.00 57 A 7.98 3.85 -0.18 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 58 E 7.11 4.11 0.00 2.15 1.84 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 2.33 2.30 0.00 59 G 8.92 3.86 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 0.00 0.00 0.00 60 A 7.68 4.97 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 61 E 8.93 4.10 0.00 1.67 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 0.00 2.31 1.91 0.00 62 I 8.23 4.61 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.20 0.47 0.00 0.00 63 E 8.28 4.41 0.00 2.01 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 2.22 2.28 0.00 64 F 8.65 5.49 0.00 2.94 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 65 V 9.02 4.33 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 0.94 0.00 0.00 0.96 0.00 0.00 66 E 8.85 4.86 0.00 2.01 1.83 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 2.32 2.11 0.00 67 E 8.44 4.60 0.00 1.99 1.70 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 2.20 2.22 0.00 68 E 8.23 4.19 0.00 2.03 1.90 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 2.23 2.30 0.00 69 A 9.57 4.29 0.99 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 0.00 0.00 0.00 0.00 0.00 70 V 7.57 4.29 1.84 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 0.55 0.00 0.00 0.73 0.00 0.00 71 F 7.68 4.81 0.00 2.32 2.87 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 0.00 0.00 0.00 0.00 72 K 8.35 4.62 0.00 1.65 1.67 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 73 C 8.81 4.63 0.00 3.59 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 74 R 8.82 4.05 0.00 1.78 1.93 0.00 3.31 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 75 N 8.35 4.47 0.00 2.69 2.93 0.00 0.00 6.81 7.65 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 76 C 7.69 4.54 0.00 3.17 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 77 N 10.26 4.63 0.00 2.88 3.24 0.00 0.00 7.19 7.42 0.00 0.00 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 Y 7.94 4.20 0.00 3.17 2.93 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 79 E 8.54 4.86 0.00 2.01 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 0.00 2.18 2.20 0.00 80 W 8.86 5.36 0.00 3.53 3.26 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 81 K 8.69 4.61 0.00 1.87 1.72 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.39 7.81 82 L 8.26 4.15 0.00 1.87 1.70 1.14 0.56 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 83 K 8.14 4.09 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 84 E 9.16 4.38 0.00 2.37 2.18 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 2.47 2.79 0.00 85 V 8.33 3.87 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 0.78 0.00 0.00 0.93 0.00 0.00 86 K 8.00 4.37 0.00 1.81 2.12 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 87 D 8.05 4.53 0.00 2.72 2.66 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 88 K 8.10 4.47 0.00 1.78 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 *89 F 8.04 4.55 0.00 2.32 2.32 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 D 8.81 4.84 0.00 2.73 2.61 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 0.00 0.00 0.00 0.00 91 E 8.14 4.43 0.00 2.06 1.90 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 2.23 1.94 0.00 92 R 7.54 4.34 0.00 2.01 1.87 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 93 I 6.88 4.05 1.87 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 1.16 1.10 0.91 0.00 0.00 *102 E 8.86 4.51 0.00 1.91 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 2.21 1.88 0.00 103 V 7.90 3.65 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 0.94 0.00 0.00 0.93 0.00 0.00 104 V 7.79 4.15 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 1.10 0.00 0.00 1.01 0.00 0.00 105 H 8.29 4.30 0.00 3.39 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.72 3.89 0.94 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 0.00 107 F 8.02 5.09 0.00 3.18 2.93 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 0.00 108 L 7.87 4.74 0.00 1.61 1.46 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.75 4.54 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 0.00 110 C 8.58 4.10 0.00 3.03 2.93 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 0.00 111 P 0.00 4.41 0.00 2.22 2.16 0.00 3.82 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 1.99 1.94 0.00 112 K 7.76 4.13 0.00 1.75 1.82 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 113 C 7.66 4.74 0.00 3.13 2.88 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 0.00 114 G 8.91 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 0.00 115 S 8.81 3.37 0.00 4.20 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 0.00 116 H 11.21 4.39 0.00 3.23 3.80 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.71 4.57 0.00 2.53 2.52 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 0.00 118 F 7.47 5.01 0.00 3.06 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 0.00 119 E 8.70 4.69 0.00 1.96 1.91 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 2.22 2.29 0.00 120 V 8.55 3.83 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 0.88 0.00 0.00 1.04 0.00 0.00 121 V 7.70 4.03 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 0.90 0.00 0.00 1.00 0.00 0.00 122 K 7.87 4.09 0.00 1.80 1.75 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 123 G 8.64 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.66 4.07 0.00 2.01 1.93 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 125 G 7.71 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 0.00 0.00 0.00 0.00 126 V 8.21 4.41 2.11 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 0.89 0.00 0.00 0.92 0.00 0.00 127 Y 7.59 4.67 0.00 3.07 2.87 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 0.00 0.00 0.00 0.00 128 V 8.36 3.82 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 0.82 0.00 0.00 0.96 0.00 0.00 129 A 8.40 4.42 1.26 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 0.00 0.00 130 G 7.48 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 0.00 0.00 0.00 0.00 131 I 8.19 4.56 1.88 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 1.42 0.70 0.92 0.00 0.00 132 K 8.76 4.49 0.00 1.70 1.71 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 133 I 8.20 4.58 1.87 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 1.42 0.67 0.91 0.00 0.00 134 E 8.50 4.70 0.00 1.94 1.88 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 2.19 2.24 0.00 135 K 8.57 4.61 0.00 1.64 1.60 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 *136 E 8.73 4.76 0.00 1.97 1.65 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 2.11 1.83 0.00 137 G 8.51 3.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.