NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6135 8.4645 119.5559 53.2734 41.3982 175.1329 5 K 4.6390 7.4785 122.3468 52.8515 35.7943 175.1431 6 A 4.6120 8.4162 120.5101 53.3616 26.3000 175.9738 7 V 4.0668 7.7493 116.4680 61.4997 30.5123 174.6223 8 T 4.5258 7.8067 116.7842 60.6172 69.7970 173.9898 9 G 4.0528 7.2153 107.7282 46.7015 0.0000 172.6802 10 V 5.1916 8.4504 118.7268 61.0857 35.1966 173.8939 11 A 4.8685 8.5032 124.1373 50.1246 23.2415 175.0326 12 L 4.6717 8.4910 120.0862 53.5022 44.7273 175.0130 13 D 5.1662 8.7387 126.8676 51.8277 44.2390 176.1766 14 L 4.9751 8.3235 126.5894 55.3358 40.4931 175.7605 15 D 4.8259 8.8235 117.3640 55.4739 42.2740 174.7666 16 H 5.5254 8.1693 112.8421 54.2711 32.1510 172.8880 17 A 4.7570 9.4514 123.3743 50.1797 22.4784 174.6647 18 Q 4.6545 8.5756 123.0958 54.9781 30.9233 174.2948 19 I 4.5049 8.4928 128.2688 59.6414 39.0076 176.0834 20 G 4.0526 8.8772 115.4607 45.7134 0.0000 172.9547 21 L 5.1792 7.9570 120.6258 54.1418 43.0765 174.1233 22 I 4.1975 8.2719 123.6626 61.8249 38.6698 177.7497 23 G 4.0728 8.5694 113.9174 44.7996 0.0000 173.9407 24 I 4.1298 7.4489 113.4949 60.1364 39.0304 173.5610 25 P 4.3862 0.0000 0.0000 61.8727 32.3708 176.0022 26 D 4.7156 7.8514 123.3314 53.7840 38.6367 175.1053 27 Q 4.6951 7.5372 118.1720 53.1040 32.4677 174.4406 28 P 4.2668 0.0000 0.0000 63.8664 31.7079 176.8107 29 G 3.9987 8.7226 106.6300 46.8532 0.0000 176.0058 30 I 3.7872 7.4422 121.8423 63.9695 36.9885 178.1405 31 A 4.1326 8.0023 121.0046 54.8266 18.1485 179.2637 32 A 3.9326 7.9718 118.9525 55.3009 18.5187 179.6864 33 K 3.8676 7.7303 116.5104 59.6650 32.2182 179.3208 34 V 3.6092 7.6295 117.8409 66.5393 31.2066 178.0884 35 F 3.9811 8.5577 115.4426 59.6240 39.0915 177.5491 36 Q 4.0925 8.3775 119.9865 59.0922 28.7783 177.5778 37 A 4.2029 7.9188 119.4199 53.7382 18.8975 178.3107 38 L 4.0872 7.6762 117.3750 55.9794 42.0404 177.4904 39 A 4.3938 7.4281 118.8488 54.0739 20.4070 178.0246 40 E 4.0311 8.2497 116.6063 57.4924 29.8055 176.8705 41 R 4.4969 7.3986 117.6831 54.0035 32.1356 177.6290 42 G 3.7865 8.4680 113.9357 45.6614 0.0000 172.5204 43 I 3.8520 7.5304 118.8279 59.4814 38.3681 176.3555 44 A 4.2569 8.1783 128.8817 51.6004 19.2766 176.4001 45 V 4.5741 8.0154 119.5424 60.3697 33.4740 174.6351 46 D 4.8100 8.5784 122.1101 55.8491 42.6633 176.3306 47 M 5.0625 7.9924 116.3264 53.6840 36.4958 174.3917 48 I 5.2402 8.2426 120.1180 59.8398 41.6874 173.7688 49 I 4.8054 9.0330 127.2385 59.6891 41.8940 173.6435 50 Q 5.0736 8.5301 125.2547 52.7964 33.2670 177.3465 51 G 4.4173 8.3056 111.8187 45.6745 0.0000 177.3665 52 V 4.2808 9.0227 124.3031 60.5565 33.8114 174.4185 53 P 2.9700 0.0000 0.0000 62.6839 32.8553 174.8563 *57 P 4.1029 0.0000 0.0000 63.1812 32.3804 178.8267 58 S 4.5617 8.0225 123.0436 58.6271 62.6853 169.9262 59 R 4.6168 7.7078 119.2961 54.9832 31.4506 175.3535 60 Q 4.9083 9.5604 126.2086 54.7740 32.8305 173.4931 61 Q 5.3284 8.5120 115.2758 55.6786 31.8092 173.3640 62 M 5.2780 8.6447 117.8021 53.9121 35.1301 173.3748 63 A 5.0583 9.0417 121.7206 50.4055 23.2708 174.9465 64 F 5.4562 8.3958 114.3376 55.6342 41.6581 173.9012 65 T 4.9042 8.8330 112.4060 61.6211 70.5553 173.8241 66 V 4.6873 8.8118 122.2233 60.0036 35.9542 174.2874 67 K 4.4923 8.7404 120.6657 56.0910 32.8143 178.2647 68 K 3.8596 9.6288 125.1086 60.1784 31.8286 179.2106 69 D 4.2960 8.0311 116.7799 56.1577 40.9277 177.4944 70 F 5.1216 8.4405 118.0635 56.2634 39.4444 177.0844 71 A 4.0277 7.8839 122.6966 55.2911 18.0352 179.7658 72 Q 3.9326 7.9599 117.3088 59.5691 29.2830 178.0892 73 E 3.9857 8.3346 118.6950 59.4057 29.4863 178.6658 74 A 4.1313 8.3298 121.8870 55.0396 18.3438 179.4957 75 L 3.9729 7.9971 117.4114 58.5621 40.3177 178.9653 76 E 3.9196 8.2948 119.5299 59.3957 29.6704 178.6691 77 A 4.1370 8.0699 119.2387 54.7765 18.7305 178.9040 78 L 4.2484 7.8454 116.4946 56.1773 41.9045 178.6234 79 E 3.9323 7.8384 120.4094 59.0910 29.3267 177.0665 80 P 4.2789 0.0000 0.0000 65.3172 31.1853 178.5089 81 V 3.7474 7.7279 116.6399 66.1925 31.5930 177.9829 82 L 4.1234 8.0370 118.3935 57.3609 41.2276 178.1649 83 A 4.3473 7.7094 119.6900 52.1829 19.3170 177.6936 84 E 4.5294 8.1906 121.1467 58.8315 34.0007 175.9980 85 I 4.0942 7.3620 108.1938 60.2139 38.5527 175.6515 86 G 3.7685 8.2619 106.9415 45.8314 0.0000 173.7853 87 G 3.9981 9.0345 106.4585 45.0626 0.0000 171.6129 88 E 4.8118 8.9944 115.5249 55.1215 33.3479 173.7132 89 A 5.0131 8.4782 119.6218 50.2674 22.6133 175.6697 90 I 4.5303 8.0256 111.5658 58.9986 40.8327 173.8768 91 L 4.8277 8.5846 128.4328 53.4759 43.7941 175.8347 92 R 4.5932 8.8884 122.5397 53.9996 31.0868 173.9399 93 P 4.4345 0.0000 0.0000 64.6674 32.7082 176.6158 94 D 4.9127 7.8399 121.6558 54.0096 38.8433 175.6940 95 I 5.0121 7.4661 110.6650 59.0507 41.3446 176.2359 96 A 4.8628 9.1715 126.2746 50.3520 21.8995 175.7086 97 K 5.1404 8.8764 123.7584 54.0611 32.4071 173.7460 98 V 4.2838 7.9473 124.7418 62.1484 32.9211 174.5131 99 S 5.5367 8.6084 121.3682 56.9880 68.2941 172.6387 100 I 4.8516 8.4017 112.6975 59.7242 40.7188 174.7935 101 V 4.8811 8.9719 117.4419 58.2808 35.5429 176.4077 102 G 4.2159 7.4679 106.6094 45.5650 0.0000 170.8632 103 V 4.4057 7.7502 120.6094 60.7607 33.3756 175.5280 104 G 4.1129 8.7412 114.3078 46.2789 0.0000 174.3650 105 L 3.9886 8.4439 121.4957 57.6314 42.2531 180.4357 106 A 4.0421 7.3420 120.1377 54.8710 18.3717 178.4074 107 S 4.4941 8.1259 109.3962 59.2084 63.3606 174.7854 108 T 4.4486 7.4647 118.8828 60.4878 68.1947 172.6816 109 P 4.2115 0.0000 0.0000 65.7601 31.5298 177.3919 110 E 4.0422 8.3067 117.0557 59.5003 29.3074 178.2614 111 V 3.7491 8.0870 119.1479 65.5984 31.5153 176.1057 112 P 3.7610 0.0000 0.0000 65.5086 31.0624 178.1390 113 A 4.0962 7.6682 121.7634 55.5345 18.1706 180.4706 114 K 3.7996 8.0977 122.1471 60.0244 31.8014 180.7763 115 M 4.2125 8.0635 120.0140 58.7299 32.1175 178.4389 116 F 4.5690 8.2101 118.0097 60.6207 38.8656 177.1087 117 Q 3.9578 7.8108 117.4930 59.7504 29.1038 177.9308 118 A 3.9040 8.3151 121.1323 55.8398 18.4804 179.3664 119 V 3.5481 8.5698 115.2333 66.2278 31.5090 178.5306 120 A 4.2727 8.1065 121.4782 54.8322 18.0448 179.5426 121 S 3.8849 7.9044 112.7724 61.9696 62.9653 176.3706 122 T 4.3478 7.4068 108.3908 61.6456 68.7413 175.0856 123 G 3.7896 8.6018 109.9269 46.3560 0.0000 173.0069 124 A 3.7562 7.1158 123.0780 49.3275 20.1833 176.9713 125 N 4.3283 8.3101 121.8264 51.8641 37.6899 174.6291 126 I 3.5398 8.2672 117.5108 61.4798 37.3319 174.8573 127 E 4.3048 9.1109 127.7683 58.0713 30.5716 175.9295 128 M 4.9667 7.6762 116.5834 53.9788 37.0364 174.0735 129 I 5.2818 8.2017 119.9542 59.7229 41.6364 174.5932 130 A 4.6148 9.2659 127.7220 50.5000 21.8721 174.7505 131 T 4.7940 8.8434 118.1986 60.6435 68.5525 173.1048 132 S 4.8216 8.8814 124.9523 56.1366 65.9866 175.1621 133 E 4.0412 8.6466 118.3474 58.9749 29.1122 178.8789 134 V 4.7753 7.5705 108.7317 60.3735 32.8441 174.8831 135 R 4.9191 7.7546 121.1044 55.1223 34.2389 173.5721 136 I 5.1141 8.6333 126.2252 59.7406 40.7940 174.5362 137 S 5.1742 9.4623 123.4775 56.9031 66.2255 173.9836 138 V 4.8074 8.8384 118.2637 60.2337 34.2104 174.8908 139 I 4.8412 8.3587 123.9886 59.7140 39.5522 174.9778 140 I 5.0311 8.5684 119.4197 57.8366 41.8059 172.9490 141 P 4.7102 0.0000 0.0000 62.4907 31.9145 177.1430 142 A 3.9678 9.7204 126.6349 55.2640 18.5201 179.0407 143 E 3.9149 8.3223 115.4343 59.3178 29.6315 177.1636 144 Y 4.4137 8.5253 113.8860 57.5003 38.5217 176.9383 145 A 3.9915 8.4003 123.6566 55.8318 18.2792 179.8331 146 E 3.8087 8.0905 115.6928 59.3212 29.9635 178.6527 147 A 4.0062 8.1095 120.1136 55.1938 18.4014 179.3199 148 A 3.9344 8.3176 119.1427 55.3811 18.1475 179.5714 149 L 4.0078 8.0771 121.3466 58.8577 41.8379 179.9656 150 R 3.8186 8.4487 120.7697 61.5169 29.1577 181.0186 151 A 4.3405 7.8778 120.5984 54.6477 18.5942 179.7897 152 V 3.7007 7.9043 117.1400 66.5158 31.5779 177.9857 153 H 4.5981 7.6349 111.5142 58.0158 28.5697 176.8040 154 Q 4.0888 7.6510 121.7917 58.6819 28.8257 177.6680 155 A 3.9974 7.4449 121.2639 53.7493 19.1839 177.6539 156 F 4.2692 7.0134 114.8426 58.4344 39.8711 175.4514 157 E 4.1921 9.0282 124.7471 56.4273 30.0010 174.0768 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 4 D 8.46 4.61 0.00 2.71 2.58 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 5 K 7.48 4.64 0.00 1.81 1.57 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.07 7.81 6 A 8.42 4.61 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 7 V 7.75 4.07 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 0.36 0.00 0.00 0.37 0.00 0.00 8 T 7.81 4.53 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 9 G 7.22 4.05 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 0.00 0.00 0.00 10 V 8.45 5.19 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 0.99 0.00 0.00 1.02 0.00 0.00 11 A 8.50 4.87 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 12 L 8.49 4.67 0.00 1.64 1.56 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.74 5.17 0.00 2.81 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 14 L 8.32 4.98 0.00 1.65 1.68 0.93 0.75 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 15 D 8.82 4.83 0.00 2.83 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 16 H 8.17 5.53 0.00 3.04 3.19 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.45 4.76 1.19 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 18 Q 8.58 4.65 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 19 I 8.49 4.50 0.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.31 0.54 0.00 0.00 20 G 8.88 4.05 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 0.00 0.00 0.00 21 L 7.96 5.18 0.00 1.93 1.56 0.94 1.21 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 22 I 8.27 4.20 1.87 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 1.15 0.23 0.91 0.00 0.00 23 G 8.57 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 24 I 7.45 4.13 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.85 0.95 0.00 0.00 25 P 0.00 4.39 0.00 2.11 2.09 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 26 D 7.85 4.72 0.00 2.81 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 27 Q 7.54 4.70 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 28 P 0.00 4.27 0.00 2.17 1.97 0.00 3.75 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 2.11 2.09 0.00 29 G 8.72 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 0.00 0.00 0.00 30 I 7.44 3.79 1.90 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 1.65 1.46 0.96 0.00 0.00 31 A 8.00 4.13 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 32 A 7.97 3.93 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 33 K 7.73 3.87 0.00 1.99 1.90 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.71 7.81 34 V 7.63 3.61 2.43 0.00 0.00 0.00 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 1.10 0.00 0.00 35 F 8.56 3.98 0.00 2.99 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 36 Q 8.38 4.09 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 37 A 7.92 4.20 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 38 L 7.68 4.09 0.00 1.82 1.54 0.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.43 4.39 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 40 E 8.25 4.03 0.00 1.96 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 2.29 2.35 0.00 41 R 7.40 4.50 0.00 1.80 1.80 0.00 3.29 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 42 G 8.47 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 0.00 0.00 0.00 43 I 7.53 3.85 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.83 0.00 0.00 44 A 8.18 4.26 1.20 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 0.00 0.00 45 V 8.02 4.57 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 0.16 0.00 0.00 1.07 0.00 0.00 46 D 8.58 4.81 0.00 2.67 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 47 M 7.99 5.06 0.00 1.98 1.90 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 2.51 2.48 0.00 48 I 8.24 5.24 2.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.98 0.00 0.00 49 I 9.03 4.81 1.91 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 1.24 1.31 0.93 0.00 0.00 50 Q 8.53 5.07 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 51 G 8.31 4.42 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 0.00 0.00 0.00 52 V 9.02 4.28 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 0.67 0.00 0.00 0.93 0.00 0.00 53 P 0.00 2.97 0.00 2.12 2.15 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 *57 P 0.00 4.10 0.00 2.11 1.89 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 58 S 8.02 4.56 0.00 3.41 3.78 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 R 7.71 4.62 0.00 1.69 1.89 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 60 Q 9.56 4.91 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 61 Q 8.51 5.33 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 62 M 8.64 5.28 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 63 A 9.04 5.06 1.21 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 0.00 0.00 64 F 8.40 5.46 0.00 3.19 3.14 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 65 T 8.83 4.90 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 66 V 8.81 4.69 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 0.89 0.00 0.00 1.11 0.00 0.00 67 K 8.74 4.49 0.00 2.07 1.90 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.34 7.81 68 K 9.63 3.86 0.00 1.81 1.86 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.52 7.81 69 D 8.03 4.30 0.00 2.01 2.38 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 70 F 8.44 5.12 0.00 3.22 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 71 A 7.88 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 3.93 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 73 E 8.33 3.99 0.00 2.26 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 0.00 2.51 2.50 0.00 74 A 8.33 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.97 0.00 1.89 1.93 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.29 3.92 0.00 2.22 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 2.34 2.40 0.00 77 A 8.07 4.14 1.44 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 0.00 0.00 0.00 78 L 7.85 4.25 0.00 1.78 1.77 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.84 3.93 0.00 2.13 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 0.00 2.32 2.37 0.00 80 P 0.00 4.28 0.00 2.07 2.11 0.00 3.88 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 81 V 7.73 3.75 2.28 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 1.10 0.00 0.00 0.95 0.00 0.00 82 L 8.04 4.12 0.00 1.73 1.90 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.71 4.35 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 84 E 8.19 4.53 0.00 1.90 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 2.22 2.24 0.00 85 I 7.36 4.09 1.89 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 1.52 0.80 0.93 0.00 0.00 86 G 8.26 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 87 G 9.03 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 0.00 0.00 0.00 88 E 8.99 4.81 0.00 1.98 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 2.18 2.31 0.00 89 A 8.48 5.01 1.17 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 0.00 0.00 0.00 90 I 8.03 4.53 1.84 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 1.08 1.13 0.89 0.00 0.00 91 L 8.58 4.83 0.00 1.61 1.57 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.89 4.59 0.00 1.85 2.00 0.00 2.79 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 93 P 0.00 4.43 0.00 2.20 2.21 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 94 D 7.84 4.91 0.00 2.67 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 95 I 7.47 5.01 2.02 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 0.56 0.96 0.00 0.00 96 A 9.17 4.86 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 97 K 8.88 5.14 0.00 1.85 1.73 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.21 7.81 98 V 7.95 4.28 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 0.99 0.00 0.00 0.98 0.00 0.00 99 S 8.61 5.54 0.00 3.82 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 0.00 100 I 8.40 4.85 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.87 0.00 0.00 101 V 8.97 4.88 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 0.98 0.00 0.00 0.90 0.00 0.00 102 G 7.47 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 0.00 0.00 0.00 0.00 103 V 7.75 4.41 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 0.76 0.00 0.00 0.91 0.00 0.00 104 G 8.74 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.44 3.99 0.00 1.82 1.66 0.84 0.92 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 0.00 106 A 7.34 4.04 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 0.00 107 S 8.13 4.49 0.00 4.14 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 0.00 108 T 7.46 4.45 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 1.22 0.00 0.00 109 P 0.00 4.21 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 110 E 8.31 4.04 0.00 2.08 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 0.00 2.39 2.46 0.00 111 V 8.09 3.75 2.36 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 0.92 0.00 0.00 0.95 0.00 0.00 112 P 0.00 3.76 0.00 1.89 1.99 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 113 A 7.67 4.10 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 0.00 114 K 8.10 3.80 0.00 1.78 1.82 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 115 M 8.06 4.21 0.00 1.90 2.32 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 2.77 2.72 0.00 116 F 8.21 4.57 0.00 3.06 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 0.00 117 Q 7.81 3.96 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 118 A 8.32 3.90 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 0.00 119 V 8.57 3.55 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 1.07 0.00 0.00 1.07 0.00 0.00 120 A 8.11 4.27 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 0.00 121 S 7.90 3.88 0.00 4.01 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 0.00 122 T 7.41 4.35 4.38 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 1.32 0.00 0.00 123 G 8.60 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 0.00 0.00 0.00 124 A 7.12 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.31 4.33 0.00 2.74 2.76 0.00 0.00 6.27 7.81 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 0.00 126 I 8.27 3.54 1.62 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.83 0.00 0.00 127 E 9.11 4.30 0.00 2.02 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 0.00 2.25 2.25 0.00 128 M 7.68 4.97 0.00 1.96 1.87 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 2.58 2.57 0.00 129 I 8.20 5.28 1.84 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.41 1.11 0.00 0.00 130 A 9.27 4.61 1.23 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 0.00 131 T 8.84 4.79 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 1.28 0.00 0.00 132 S 8.88 4.82 0.00 4.00 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 0.00 133 E 8.65 4.04 0.00 2.01 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 2.39 2.27 0.00 134 V 7.57 4.78 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 1.16 0.00 0.00 0.92 0.00 0.00 135 R 7.75 4.92 0.00 1.80 1.71 0.00 3.04 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 136 I 8.63 5.11 1.83 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 1.23 0.93 0.93 0.00 0.00 137 S 9.46 5.17 0.00 3.71 3.75 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 0.00 138 V 8.84 4.81 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 0.98 0.00 0.00 1.01 0.00 0.00 139 I 8.36 4.84 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 1.30 0.92 0.92 0.00 0.00 140 I 8.57 5.03 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.89 0.00 0.00 141 P 0.00 4.71 0.00 2.43 2.30 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 142 A 9.72 3.97 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 0.00 143 E 8.32 3.91 0.00 1.93 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 0.00 2.02 2.25 0.00 144 Y 8.53 4.41 0.00 3.10 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 0.00 145 A 8.40 3.99 1.41 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 0.00 146 E 8.09 3.81 0.00 2.10 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 2.38 2.45 0.00 147 A 8.11 4.01 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 0.00 148 A 8.32 3.93 1.44 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 0.00 0.00 0.00 149 L 8.08 4.01 0.00 1.83 1.86 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.45 3.82 0.00 1.82 1.93 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 151 A 7.88 4.34 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 0.00 152 V 7.90 3.70 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 1.32 0.00 0.00 1.04 0.00 0.00 153 H 7.63 4.60 0.00 3.43 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 7.65 4.09 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 155 A 7.44 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 7.01 4.27 0.00 3.10 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 0.00 157 E 9.03 4.19 0.00 2.09 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 0.00 2.17 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.