NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3118 8.3449 118.8268 55.4207 30.4755 174.5040 4 L 4.5155 7.6585 118.2178 52.0692 43.7516 175.0798 5 T 4.4572 8.8806 113.0843 60.8978 72.6145 175.6360 6 E 4.0604 8.7366 121.9957 59.2164 29.3737 179.4173 7 E 3.9740 8.1176 119.4512 59.2260 29.7766 178.4731 8 Q 4.0354 7.8926 117.6666 59.0963 28.7899 178.7810 9 I 3.9745 8.0881 120.5767 64.5100 37.1099 178.2898 10 A 4.0894 8.1620 121.5238 55.3259 18.1137 179.5901 11 E 3.9563 8.4813 117.2455 59.6172 29.4687 179.6465 12 F 4.4165 8.7183 118.2001 60.5393 38.9534 177.9530 13 K 4.2636 8.9741 118.8114 59.3787 31.9087 179.0636 14 E 3.9830 8.6910 119.6382 59.2074 29.2563 178.6389 15 A 4.1772 8.5589 121.2142 55.2296 18.4354 179.2576 16 F 3.2603 8.8503 119.7791 61.3528 39.2567 177.5717 17 S 4.2040 8.3398 112.4710 61.3441 62.7561 176.0702 18 L 4.1812 7.6136 121.8952 57.5391 41.3468 179.1871 19 F 4.1033 7.6001 115.5947 59.9067 40.6644 177.1090 20 D 4.8321 7.8281 120.2595 52.9846 37.0122 176.9984 21 K 4.0717 7.8544 120.1449 58.5125 32.8789 177.9880 22 D 4.6982 8.3258 116.5217 51.9389 39.7419 176.1268 23 G 4.0944 7.7695 107.5677 46.8598 0.0000 173.9123 24 D 4.5441 8.9377 117.4959 53.0911 40.0030 177.2520 25 G 4.1547 9.5036 109.5087 45.3597 0.0000 173.1655 26 T 5.1818 7.8705 108.0145 60.2449 72.6238 173.2569 27 I 4.6410 8.8027 123.7709 60.0419 39.2131 175.8871 28 T 4.8743 8.6910 117.9851 60.2000 71.1983 176.0177 29 T 3.8662 8.4893 111.8580 64.6170 68.4303 176.3053 30 K 3.9001 7.9835 121.9453 59.6045 31.8690 178.5426 31 E 3.9648 8.2382 118.8302 59.1545 29.1171 179.1056 32 L 4.4430 8.2407 120.1717 58.2685 42.2711 179.0101 33 G 3.7627 8.2522 104.8256 47.9386 0.0000 175.4604 34 T 4.0637 8.0905 118.4004 66.3835 68.3653 178.0432 35 V 3.6263 7.4441 116.9650 63.6374 31.3602 177.6640 *37 R 4.9786 7.8659 117.3780 56.1356 31.7339 177.7562 38 S 4.3017 8.0882 111.7049 60.2222 62.7771 174.7394 39 L 4.4953 7.4546 120.2372 54.3641 41.7101 177.4123 40 G 3.8485 8.0520 105.4201 45.9323 0.0000 174.2104 41 Q 4.5173 7.5227 118.5678 54.6647 31.2414 174.9438 42 N 5.0542 8.0714 115.5870 51.8377 38.9819 172.3667 43 P 4.5901 0.0000 0.0000 63.0227 32.8387 177.3810 44 T 4.3870 8.7694 111.2135 60.9377 71.3778 175.8469 45 E 3.9748 8.6482 120.9102 59.5545 29.4826 179.4737 46 A 3.9895 7.9585 120.3314 55.2518 18.2618 179.4265 47 E 4.1111 7.9113 115.7564 59.4717 29.6211 179.1659 48 L 4.1638 7.8055 118.1854 57.9197 41.9727 179.2883 49 Q 4.2195 8.3767 118.1986 58.8104 28.6182 179.2525 50 D 4.5939 7.9409 118.1925 54.6724 40.7674 178.5285 *52 I 4.1054 7.7497 122.0603 61.5812 38.6416 178.0253 53 N 4.4313 8.1952 117.3295 56.1423 38.4683 177.0816 54 E 4.1146 8.0288 116.7272 58.4466 29.5687 177.7750 55 V 4.3849 7.1235 109.2946 60.6772 34.0097 176.2255 56 D 4.8621 8.2181 121.4800 52.0362 39.2648 176.0821 57 A 3.9511 8.1084 125.5534 54.9060 18.8882 178.4945 58 D 4.5753 8.3939 112.0219 52.4756 40.1981 176.5919 59 G 3.9870 7.6658 108.4970 47.4200 0.0000 173.6536 60 N 4.7459 8.1786 111.9550 52.1046 38.1158 176.7818 61 G 3.8978 9.0078 106.8957 46.1203 0.0000 173.1500 62 T 4.8995 7.4885 108.0785 60.0415 72.7704 173.0926 63 I 4.8950 8.6841 122.7607 59.8744 39.4560 175.9281 64 D 5.1188 9.3483 127.8813 52.0895 42.0947 177.2641 65 F 3.6296 8.8178 119.5008 61.0364 38.9827 175.1317 66 P 4.1229 0.0000 0.0000 65.8052 30.6495 178.0389 67 E 3.9727 8.9220 118.9050 58.7585 29.1793 178.7475 68 F 4.1633 8.3323 120.5058 61.4575 39.6234 176.8194 69 L 3.5813 7.3595 116.9256 57.2893 42.9581 179.1972 70 T 3.9545 7.1071 116.3405 63.7873 63.9051 174.3661 *73 A 4.3316 7.6762 124.8611 51.4657 21.0785 178.2763 74 R 4.3125 7.3707 109.3641 57.5945 30.5445 176.9332 75 K 4.1954 7.6395 118.1332 56.4909 31.9789 177.5757 *77 K 4.3112 7.9959 116.1813 56.4905 34.2956 175.4195 78 D 4.9681 7.4858 119.0748 53.9186 41.7096 175.7343 79 T 4.0484 7.3938 110.2146 60.5919 69.8949 172.5714 80 D 4.7940 8.6706 129.4552 52.7861 42.7946 176.4697 81 S 4.3140 8.7087 115.4703 60.3871 62.6206 175.8368 82 E 3.8933 8.0440 122.1378 58.6632 29.8022 179.2475 83 E 4.0428 8.1294 118.1288 59.1507 29.5498 178.7070 84 E 4.0333 8.8185 119.1148 59.4451 29.5981 179.2265 85 I 3.9207 7.8444 119.4148 64.5151 37.3297 178.2974 86 R 4.2961 8.3764 119.5825 59.3980 29.9156 178.2301 87 E 3.9530 8.3138 118.9919 59.2211 29.7166 178.5113 88 A 3.9555 8.4478 121.0894 55.2059 18.4995 179.2458 89 F 3.4661 8.5111 119.0464 61.5410 39.2336 177.6247 90 R 4.0403 7.8414 116.0089 59.0915 29.8335 178.9670 91 V 3.5725 7.2508 117.5547 65.7687 31.5295 177.8667 92 F 4.4269 7.4310 116.6317 59.7083 40.3665 176.7925 93 D 4.6071 7.8752 119.8150 52.0287 37.4898 176.0603 94 K 3.7597 7.8958 123.4609 59.5656 32.6012 178.0387 95 D 4.4969 8.1784 114.0521 53.0684 39.4758 176.2604 96 G 3.9891 7.9823 108.0554 46.8399 0.0000 174.0244 97 N 4.5607 8.6918 114.7135 52.6037 37.5970 175.9706 98 G 3.9165 9.4982 108.5617 45.5700 0.0000 172.4476 99 Y 5.0781 8.1594 116.7327 56.1383 41.4213 175.1797 100 I 4.2948 9.4853 127.1358 60.6781 38.3422 176.1211 101 S 4.8655 9.1330 122.6897 57.1906 64.9602 175.5442 102 A 3.9382 8.5993 121.3149 55.2455 18.0215 179.7127 103 A 3.8630 7.8752 118.8339 55.2871 18.4471 179.5857 104 E 3.8753 8.2264 117.1672 59.3420 29.2875 179.3144 105 L 4.0354 7.7207 119.5731 58.0195 42.2178 178.7714 106 R 4.0581 7.9054 117.6201 59.8543 30.3575 177.8686 107 H 4.4403 8.5387 116.4235 58.7994 28.6844 178.2025 108 V 3.8194 7.8302 115.7418 64.4137 30.9248 177.4313 *110 T 4.2612 7.7692 115.0772 63.4854 70.1484 175.9535 111 N 4.2446 8.1871 117.1239 56.0561 38.5531 175.9624 112 L 4.1591 7.6114 115.5334 54.6120 42.0244 177.4181 113 G 3.9139 8.2486 107.3485 45.0333 0.0000 173.9164 114 E 4.3045 7.7013 120.4205 54.1743 28.6999 173.8472 115 K 4.2199 8.3029 126.2429 55.5244 32.8514 176.1521 116 L 5.0082 8.1986 125.6777 52.5261 45.2169 176.9967 117 T 4.2728 8.9223 112.9589 61.3940 71.0380 175.7319 118 D 4.3604 8.5139 121.0674 57.3358 40.8029 178.9961 119 E 3.9526 8.0693 118.7876 59.3615 29.3804 178.8963 120 E 3.9426 8.2285 117.5844 59.5128 29.6607 179.3118 121 V 3.7250 7.6833 116.7234 66.1734 31.9798 177.3257 122 D 4.5510 8.2519 118.6427 57.2171 40.6910 178.6531 123 E 4.0256 7.9834 117.4884 56.7591 29.4553 178.4701 *125 I 4.1025 7.7132 119.5457 60.9597 39.0549 178.3743 126 R 4.0158 7.7514 117.4226 59.0861 30.0074 178.1565 127 E 4.0516 8.0627 116.2301 58.2581 29.5366 177.4522 128 A 4.5520 7.5998 119.0649 52.0805 20.9075 176.3029 129 D 4.4853 8.3491 116.6503 54.6498 41.7484 175.5362 130 I 4.2942 9.0410 127.1912 62.6540 38.9798 176.2375 131 D 4.6697 8.5459 116.6075 52.2375 39.5001 176.0475 132 G 4.0150 7.9495 106.7928 47.1646 0.0000 173.7924 133 D 4.5965 8.3578 115.5766 52.2682 39.8196 176.8363 134 G 3.9262 9.1732 107.3559 46.4279 0.0000 173.3923 135 Q 4.7555 8.4297 116.4889 54.0590 33.5708 174.5190 136 V 4.7865 8.8150 121.2590 61.4178 33.7943 175.0533 137 N 5.4615 9.4295 126.1182 51.1867 39.5265 175.5782 138 Y 3.0371 8.4953 119.2147 60.7761 38.5073 177.9999 139 E 3.7555 8.0718 118.6307 59.4802 29.3805 179.1410 140 E 3.9614 8.0229 117.0149 59.1164 29.6968 178.6409 141 F 4.3013 8.2030 119.9614 61.4709 39.6183 176.9638 142 V 3.5059 7.6092 116.7285 65.2951 32.8099 177.1726 143 Q 4.1445 7.5452 120.3727 56.4742 24.5311 176.5612 *146 T 4.2077 7.6038 109.7959 60.7035 71.3800 174.7961 147 A 4.1200 7.6600 129.5990 52.5155 18.3710 177.0370 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 Q 8.34 4.31 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 4 L 7.66 4.52 0.00 1.78 1.70 0.94 0.67 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 5 T 8.88 4.46 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 6 E 8.74 4.06 0.00 2.05 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 0.00 2.43 2.40 0.00 7 E 8.12 3.97 0.00 2.05 1.96 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 2.39 2.41 0.00 8 Q 7.89 4.04 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 9 I 8.09 3.97 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 1.59 0.89 1.01 0.00 0.00 10 A 8.16 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 11 E 8.48 3.96 0.00 2.07 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 2.33 2.71 0.00 12 F 8.72 4.42 0.00 3.49 3.42 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 0.00 0.00 0.00 0.00 13 K 8.97 4.26 0.00 1.99 1.84 0.00 1.48 0.00 0.00 1.20 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.90 1.65 7.81 14 E 8.69 3.98 0.00 2.24 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 0.00 2.38 2.45 0.00 15 A 8.56 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.85 3.26 0.00 3.29 3.33 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 17 S 8.34 4.20 0.00 4.12 4.10 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 0.00 0.00 0.00 0.00 18 L 7.61 4.18 0.00 1.89 1.55 1.02 0.78 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 19 F 7.60 4.10 0.00 2.76 2.91 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 0.00 0.00 0.00 20 D 7.83 4.83 0.00 2.19 2.51 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 21 K 7.85 4.07 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.62 7.81 22 D 8.33 4.70 0.00 2.75 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 23 G 7.77 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 0.00 0.00 0.00 0.00 24 D 8.94 4.54 0.00 2.78 2.92 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 0.00 0.00 0.00 25 G 9.50 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 0.00 0.00 0.00 0.00 26 T 7.87 5.18 4.33 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 1.31 0.00 0.00 27 I 8.80 4.64 1.80 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.06 0.86 0.00 0.00 28 T 8.69 4.87 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 1.22 0.00 0.00 29 T 8.49 3.87 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 1.26 0.00 0.00 30 K 7.98 3.90 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 31 E 8.24 3.96 0.00 2.10 2.27 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 2.32 2.32 0.00 32 L 8.24 4.44 0.00 1.83 1.94 1.01 1.17 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 33 G 8.25 3.76 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 0.00 0.00 0.00 34 T 8.09 4.06 4.33 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 1.16 0.00 0.00 35 V 7.44 3.63 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.30 0.00 0.00 *37 R 7.87 4.98 0.00 2.16 1.98 0.00 3.45 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 38 S 8.09 4.30 0.00 3.92 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 39 L 7.45 4.50 0.00 1.53 1.60 0.89 0.76 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 40 G 8.05 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 41 Q 7.52 4.52 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.99 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 42 N 8.07 5.05 0.00 2.61 2.67 0.00 0.00 7.00 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 43 P 0.00 4.59 0.00 2.23 2.06 0.00 3.82 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 2.00 1.98 0.00 44 T 8.77 4.39 4.25 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 1.21 0.00 0.00 45 E 8.65 3.97 0.00 2.00 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 0.00 2.41 2.33 0.00 46 A 7.96 3.99 1.32 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 0.00 0.00 47 E 7.91 4.11 0.00 2.13 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 2.35 2.35 0.00 48 L 7.81 4.16 0.00 1.81 1.76 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.38 4.22 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 50 D 7.94 4.59 0.00 2.89 2.68 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 *52 I 7.75 4.11 1.88 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 1.43 0.85 0.96 0.00 0.00 53 N 8.20 4.43 0.00 2.76 2.87 0.00 0.00 7.07 7.24 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 54 E 8.03 4.11 0.00 1.97 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 2.34 2.60 0.00 55 V 7.12 4.38 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 0.62 0.00 0.00 0.99 0.00 0.00 56 D 8.22 4.86 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.95 1.29 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 0.00 0.00 58 D 8.39 4.58 0.00 2.80 2.78 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 59 G 7.67 3.99 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 0.00 60 N 8.18 4.75 0.00 2.87 3.09 0.00 0.00 6.07 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 61 G 9.01 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 62 T 7.49 4.90 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 1.24 0.00 0.00 63 I 8.68 4.90 1.94 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 1.32 0.80 1.11 0.00 0.00 64 D 9.35 5.12 0.00 2.85 2.91 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 0.00 0.00 0.00 65 F 8.82 3.63 0.00 2.48 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 66 P 0.00 4.12 0.00 2.27 2.29 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.08 0.00 67 E 8.92 3.97 0.00 2.20 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 0.00 2.38 2.75 0.00 68 F 8.33 4.16 0.00 3.31 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 D 8.67 4.79 0.00 2.87 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 81 S 8.71 4.31 0.00 4.08 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 0.00 82 E 8.04 3.89 0.00 2.09 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 0.00 2.47 2.52 0.00 83 E 8.13 4.04 0.00 2.39 1.96 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 2.33 2.51 0.00 84 E 8.82 4.03 0.00 2.19 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 0.00 2.37 2.57 0.00 85 I 7.84 3.92 2.11 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 1.55 0.59 1.03 0.00 0.00 86 R 8.38 4.30 0.00 2.26 2.20 0.00 3.07 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 87 E 8.31 3.95 0.00 2.28 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 2.33 2.39 0.00 88 A 8.45 3.96 1.74 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.51 3.47 0.00 3.16 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 90 R 7.84 4.04 0.00 2.00 1.96 0.00 3.38 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 91 V 7.25 3.57 1.85 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 0.43 0.00 0.00 0.89 0.00 0.00 92 F 7.43 4.43 0.00 2.81 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 93 D 7.88 4.61 0.00 1.84 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 0.00 0.00 0.00 94 K 7.90 3.76 0.00 1.75 1.87 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.60 7.81 95 D 8.18 4.50 0.00 2.80 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 96 G 7.98 3.99 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 0.00 97 N 8.69 4.56 0.00 2.96 3.06 0.00 0.00 6.96 6.59 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 98 G 9.50 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.16 5.08 0.00 2.99 2.83 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 0.00 100 I 9.49 4.29 1.93 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.13 0.79 0.00 0.00 101 S 9.13 4.87 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 3.94 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 0.00 103 A 7.88 3.86 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 0.00 104 E 8.23 3.88 0.00 2.16 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 2.30 2.28 0.00 105 L 7.72 4.04 0.00 1.56 1.84 0.76 0.91 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 0.00 106 R 7.91 4.06 0.00 1.97 2.08 0.00 3.42 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 107 H 8.54 4.44 0.00 3.18 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.83 3.82 2.45 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 0.93 0.00 0.00 1.02 0.00 0.00 *110 T 7.77 4.26 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 1.20 0.00 0.00 111 N 8.19 4.24 0.00 2.89 2.85 0.00 0.00 7.11 7.47 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 0.00 112 L 7.61 4.16 0.00 1.62 1.61 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.25 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.70 4.30 0.00 1.93 1.93 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 2.25 2.36 0.00 115 K 8.30 4.22 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 116 L 8.20 5.01 0.00 1.64 1.52 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.92 4.27 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 1.27 0.00 0.00 118 D 8.51 4.36 0.00 2.79 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 0.00 119 E 8.07 3.95 0.00 2.05 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 2.40 2.46 0.00 120 E 8.23 3.94 0.00 2.08 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 0.00 2.35 2.32 0.00 121 V 7.68 3.73 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 0.91 0.00 0.00 1.01 0.00 0.00 122 D 8.25 4.55 0.00 3.04 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 0.00 123 E 7.98 4.03 0.00 2.27 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 2.30 2.49 0.00 *125 I 7.71 4.10 2.03 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 1.59 0.78 0.96 0.00 0.00 126 R 7.75 4.02 0.00 2.02 2.00 0.00 3.16 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 127 E 8.06 4.05 0.00 1.98 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 2.34 2.36 0.00 128 A 7.60 4.55 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 0.00 129 D 8.35 4.49 0.00 2.80 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 0.00 130 I 9.04 4.29 2.00 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 1.35 0.98 0.92 0.00 0.00 131 D 8.55 4.67 0.00 2.78 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 0.00 132 G 7.95 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 0.00 133 D 8.36 4.60 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 134 G 9.17 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 0.00 135 Q 8.43 4.76 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 136 V 8.81 4.79 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 1.26 0.00 0.00 1.00 0.00 0.00 137 N 9.43 5.46 0.00 2.78 3.10 0.00 0.00 6.44 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.50 3.04 0.00 2.13 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 0.00 139 E 8.07 3.76 0.00 2.07 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 0.00 2.40 2.47 0.00 140 E 8.02 3.96 0.00 2.16 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 0.00 2.34 2.41 0.00 141 F 8.20 4.30 0.00 3.23 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 0.00 142 V 7.61 3.51 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 0.68 0.00 0.00 -0.03 0.00 0.00 143 Q 7.55 4.14 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.19 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 *146 T 7.60 4.21 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 1.16 0.00 0.00 147 A 7.66 4.12 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 * Residues marked with a * may have inaccurate shift predictions.