NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6391 8.3349 117.0979 58.0763 64.2151 172.1134 16 Q 4.4209 8.5811 114.2970 55.2226 33.3985 173.1015 17 N 5.0476 8.7621 120.5804 52.3146 41.9805 173.0225 18 F 5.0103 9.0349 125.1679 55.1032 42.7893 175.2347 19 L 4.5116 8.7469 120.9857 55.1797 42.4164 176.3974 20 F 4.9740 9.2711 124.4707 56.6475 42.7773 173.7818 21 G 4.0285 7.1687 110.4094 45.3855 0.0000 171.4422 22 C 4.5778 8.3961 114.5337 56.7290 33.4279 172.1606 23 E 4.6903 8.5837 120.5654 54.2495 31.8069 174.7534 24 L 5.0395 8.7463 126.8655 52.9846 45.0046 175.8842 25 K 4.5080 8.6924 121.4799 56.0510 35.7569 176.3740 26 A 3.9929 8.7606 122.3804 55.1519 18.2769 178.2565 27 D 4.6659 7.9446 112.5152 54.0224 40.5129 176.9939 28 K 4.5657 7.7127 121.3565 54.9921 32.4991 175.9679 29 K 4.1950 8.1058 121.6645 57.6744 33.5265 176.3882 30 E 5.2892 8.0938 117.8905 54.5283 33.6349 174.5981 31 Y 4.4548 9.0903 123.0241 55.9412 42.0856 173.9237 32 S 4.7025 7.8883 121.9563 56.7142 63.6913 173.2609 33 F 4.8228 9.3065 132.5005 57.1202 39.7420 174.4578 34 K 4.6844 8.0841 124.5887 55.1040 35.8595 175.5139 35 V 4.3083 7.9326 120.2653 61.0675 34.9649 173.2032 36 E 4.5936 7.8969 119.0180 55.7310 31.7822 175.3918 37 D 4.4026 8.8229 118.9664 57.9452 41.2524 175.9380 38 D 4.6109 7.7664 118.9358 53.3227 40.5060 175.6780 *40 N 4.6146 8.2530 120.5294 52.8977 40.4212 173.3239 41 E 4.4928 8.5082 118.1332 56.5217 30.9638 175.8588 42 H 5.2812 8.7081 119.9292 54.5281 32.2963 173.2906 43 Q 4.7350 8.7599 119.9417 55.1455 32.9668 172.7613 44 L 4.6041 8.2373 128.1923 53.6929 44.3027 175.1151 45 S 4.9690 8.8318 120.2380 56.4764 65.0614 172.6105 46 L 4.5222 8.7496 128.6533 54.7508 42.6210 176.5079 47 R 4.5619 9.6810 121.9128 57.3375 32.2248 175.8018 48 T 5.1511 8.0249 107.8802 59.8205 72.8858 172.0601 49 V 5.0083 8.8000 123.1665 61.2880 34.2925 174.5340 50 S 5.2087 9.1764 121.2089 56.8907 66.8806 172.6581 51 L 4.7949 8.4796 121.7578 53.4980 42.9994 177.1227 52 G 4.0866 8.9801 110.5392 45.7988 0.0000 174.5772 53 A 4.1841 8.6975 122.9225 54.4884 18.5222 178.7560 54 S 4.4685 7.9635 107.7127 58.1784 63.8390 174.3524 55 A 4.4496 7.6063 124.7333 51.4668 18.5513 177.5085 56 K 3.9209 8.5408 124.3403 57.1862 32.7436 176.9467 57 D 4.8804 8.4037 125.7510 52.9865 39.3065 174.3788 58 E 4.7756 7.9101 119.3563 54.1027 33.2095 174.8595 59 L 4.4284 8.4550 122.6862 55.5033 43.0339 175.4734 60 H 5.1221 9.4124 123.1843 53.9616 32.0170 172.9428 61 V 4.8525 8.7187 122.9863 61.0560 34.0988 174.1826 62 V 5.0227 8.6063 127.9464 61.0389 33.9224 174.1616 63 E 5.2886 9.2428 124.9863 54.4418 33.4327 174.3875 64 A 5.2360 8.8321 121.4403 50.0573 22.6439 174.8135 65 E 4.9889 8.9004 121.9101 54.8429 32.7490 175.2048 66 G 4.3573 8.6140 113.3111 46.3699 0.0000 171.4325 67 I 4.8445 8.4434 120.6869 59.9547 38.7805 175.5383 68 N 4.9374 8.7610 122.6524 51.2899 39.6338 174.8296 69 Y 4.0809 8.6654 117.9623 60.7216 38.8016 176.7722 70 E 4.1539 8.4353 116.5881 55.8511 29.7559 176.2840 71 G 3.8319 8.1581 106.8253 46.0303 0.0000 173.5014 72 K 4.6412 8.3742 118.8112 54.4738 34.6983 175.9845 73 T 4.7374 8.4559 121.0837 63.4877 69.1276 173.9744 74 I 4.7824 9.1301 119.7037 58.9821 41.7497 174.1694 75 K 5.2308 8.6704 122.0852 54.5858 34.3065 175.6309 76 I 4.6749 8.9826 118.4239 58.8385 40.8546 174.4379 77 A 4.4815 8.5541 126.4540 51.8691 18.6460 177.1792 78 L 4.4007 8.9475 123.7076 57.3663 42.6594 177.4794 79 A 4.6759 7.7392 117.6564 50.9395 22.6785 175.0346 80 S 5.2957 8.7017 116.5106 56.8460 65.0194 173.7205 81 L 5.0882 9.0990 124.1816 52.9938 46.1007 175.5395 82 K 4.9307 8.7698 121.6306 54.6861 35.4037 174.9529 83 P 4.2339 0.0000 0.0000 65.8489 31.3192 177.3965 84 S 4.5226 7.9501 108.6408 58.7055 63.5420 174.1877 85 V 4.2092 7.5122 118.5135 64.4782 33.4238 176.0936 86 Q 4.6274 8.1708 122.4942 54.7982 30.4107 172.0255 87 P 4.5449 0.0000 0.0000 64.2588 33.0892 176.3466 88 T 5.1900 7.8815 115.9733 61.5696 72.1241 173.3359 89 V 4.3803 8.6550 125.1853 61.1132 34.2995 174.0407 90 S 4.9891 8.7022 122.9473 57.5438 62.6538 173.6516 91 L 4.1825 9.1965 127.6684 54.4798 42.2026 178.0496 92 G 3.7307 8.0744 106.5153 46.0262 0.0000 174.0464 93 G 3.7632 8.2437 104.5773 46.2732 0.0000 174.7961 94 F 4.5453 8.6085 121.2788 57.6585 40.4782 174.9669 95 E 4.9196 8.8725 126.4552 55.9065 30.7376 176.4267 96 I 4.8027 8.7130 124.5971 59.6556 41.4625 174.6164 97 T 4.6561 8.6291 117.4651 60.3402 69.7130 173.0708 98 P 4.6397 0.0000 0.0000 62.0680 32.2664 173.9367 99 P 5.0706 0.0000 0.0000 62.6575 32.7898 175.5709 100 V 4.7944 8.9187 119.8649 60.5128 35.3187 173.3941 101 I 4.9774 8.6271 123.4732 59.7034 39.8506 174.3788 102 L 5.1307 9.0113 126.8380 53.1477 44.1344 175.5476 103 R 5.0134 9.0253 123.3435 54.4547 33.8131 173.9913 104 L 4.4032 9.1000 129.1821 54.5968 41.1234 176.1752 105 K 4.3088 8.9018 129.2223 59.2293 32.8348 176.7659 106 S 4.4991 8.1087 111.7777 58.0677 65.9595 175.2323 107 G 3.9662 8.8588 107.2981 45.2705 0.0000 174.0220 108 S 4.0408 8.6300 116.0343 59.3874 63.2383 176.1621 109 G 3.8915 8.3507 110.1251 43.3624 0.0000 170.3548 110 P 4.6966 0.0000 0.0000 62.6600 32.9461 175.5444 111 V 4.8649 8.6038 120.7342 61.3499 35.0552 173.7282 112 Y 5.0861 9.0451 124.0145 56.1365 41.2869 174.7448 113 V 5.0074 8.6691 122.7792 61.1252 34.8476 174.4447 114 S 5.1200 9.0210 121.1481 56.7421 66.8192 174.1604 115 G 4.0045 7.6022 106.2646 46.1267 0.0000 171.6239 116 Q 5.2093 8.2740 118.0413 54.3497 32.6314 174.4708 117 H 5.2700 9.7751 122.9618 54.7242 32.2991 172.6827 118 L 5.2802 9.2741 126.8119 53.0747 44.3471 177.0956 119 V 4.5848 8.6608 122.1562 61.9813 32.0006 175.0072 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 15 S 8.33 4.64 0.00 3.65 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 16 Q 8.58 4.42 0.00 1.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 17 N 8.76 5.05 0.00 2.55 2.50 0.00 0.00 6.84 7.02 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 18 F 9.03 5.01 0.00 3.17 2.99 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 19 L 8.75 4.51 0.00 1.62 1.66 0.94 0.77 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 F 9.27 4.97 0.00 3.24 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 21 G 7.17 4.03 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 0.00 0.00 0.00 22 C 8.40 4.58 0.00 2.66 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 0.00 0.00 0.00 23 E 8.58 4.69 0.00 1.89 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 1.84 1.47 0.00 24 L 8.75 5.04 0.00 1.48 1.49 0.94 0.78 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 25 K 8.69 4.51 0.00 1.73 1.80 0.00 1.29 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.27 1.55 7.81 26 A 8.76 3.99 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 27 D 7.94 4.67 0.00 2.79 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 28 K 7.71 4.57 0.00 1.77 1.65 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.41 7.81 29 K 8.11 4.19 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.47 7.81 30 E 8.09 5.29 0.00 1.79 1.81 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 2.20 2.27 0.00 31 Y 9.09 4.45 0.00 3.16 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 32 S 7.89 4.70 0.00 3.79 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 33 F 9.31 4.82 0.00 3.23 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 34 K 8.08 4.68 0.00 1.61 1.60 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.28 7.81 35 V 7.93 4.31 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 0.66 0.00 0.00 0.45 0.00 0.00 36 E 7.90 4.59 0.00 1.89 1.73 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 2.12 2.19 0.00 37 D 8.82 4.40 0.00 2.67 2.72 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 38 D 7.77 4.61 0.00 2.56 2.67 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 0.00 0.00 0.00 0.00 *40 N 8.25 4.61 0.00 2.64 2.84 0.00 0.00 7.18 7.66 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 41 E 8.51 4.49 0.00 1.95 1.89 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 2.40 2.36 0.00 42 H 8.71 5.28 0.00 3.09 3.37 0.00 5.73 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 43 Q 8.76 4.73 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 44 L 8.24 4.60 0.00 1.00 0.98 -0.93 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.83 4.97 0.00 3.87 3.69 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 46 L 8.75 4.52 0.00 1.64 1.56 0.65 0.79 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 47 R 9.68 4.56 0.00 1.81 1.93 0.00 3.25 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 48 T 8.02 5.15 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 1.23 0.00 0.00 49 V 8.80 5.01 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 1.05 0.00 0.00 0.96 0.00 0.00 50 S 9.18 5.21 0.00 3.89 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 51 L 8.48 4.79 0.00 1.57 1.60 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.98 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 53 A 8.70 4.18 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 54 S 7.96 4.47 0.00 4.01 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 55 A 7.61 4.45 1.36 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 0.00 0.00 56 K 8.54 3.92 0.00 1.75 1.90 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.41 7.81 57 D 8.40 4.88 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.78 0.00 1.94 1.86 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 2.34 2.18 0.00 59 L 8.45 4.43 0.00 1.67 1.60 0.98 0.94 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 60 H 9.41 5.12 0.00 3.07 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.72 4.85 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 0.95 0.00 0.00 0.94 0.00 0.00 62 V 8.61 5.02 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 1.02 0.00 0.00 0.94 0.00 0.00 63 E 9.24 5.29 0.00 2.22 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 2.17 2.22 0.00 64 A 8.83 5.24 1.10 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 0.00 0.00 65 E 8.90 4.99 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 2.19 2.38 0.00 66 G 8.61 4.36 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 0.00 0.00 0.00 67 I 8.44 4.84 1.88 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 1.48 0.91 0.93 0.00 0.00 68 N 8.76 4.94 0.00 2.89 3.02 0.00 0.00 6.44 7.46 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 69 Y 8.67 4.08 0.00 2.95 3.06 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 0.00 0.00 0.00 70 E 8.44 4.15 0.00 2.01 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 2.38 2.49 0.00 71 G 8.16 3.83 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 0.00 0.00 0.00 72 K 8.37 4.64 0.00 1.77 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 73 T 8.46 4.74 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 1.21 0.00 0.00 74 I 9.13 4.78 1.89 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 1.35 0.89 0.99 0.00 0.00 75 K 8.67 5.23 0.00 1.63 1.92 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.98 4.67 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.96 0.00 0.00 77 A 8.55 4.48 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 78 L 8.95 4.40 0.00 1.66 1.76 0.78 0.65 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 79 A 7.74 4.68 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 80 S 8.70 5.30 0.00 3.76 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 81 L 9.10 5.09 0.00 1.55 1.69 0.97 0.48 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 82 K 8.77 4.93 0.00 1.83 1.61 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.51 7.81 83 P 0.00 4.23 0.00 2.22 2.13 0.00 3.90 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 2.24 2.11 0.00 84 S 7.95 4.52 0.00 3.98 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 85 V 7.51 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.17 4.63 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 87 P 0.00 4.54 0.00 2.16 2.29 0.00 3.69 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 2.07 2.00 0.00 88 T 7.88 5.19 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 1.28 0.00 0.00 89 V 8.66 4.38 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 1.07 0.00 0.00 0.96 0.00 0.00 90 S 8.70 4.99 0.00 3.93 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 91 L 9.20 4.18 0.00 1.82 1.89 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.07 3.73 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 0.00 0.00 0.00 93 G 8.24 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 94 F 8.61 4.55 0.00 3.07 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 95 E 8.87 4.92 0.00 1.95 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 2.31 2.54 0.00 96 I 8.71 4.80 1.65 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 0.83 0.00 0.00 97 T 8.63 4.66 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 1.26 0.00 0.00 98 P 0.00 4.64 0.00 2.19 2.24 0.00 3.94 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 99 P 0.00 5.07 0.00 2.10 2.06 0.00 3.76 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 1.97 1.95 0.00 100 V 8.92 4.79 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 0.88 0.00 0.00 0.93 0.00 0.00 101 I 8.63 4.98 1.88 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 1.21 0.70 0.96 0.00 0.00 102 L 9.01 5.13 0.00 1.72 1.62 1.02 0.52 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 0.00 103 R 9.03 5.01 0.00 1.81 1.71 0.00 3.33 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 104 L 9.10 4.40 0.00 1.62 1.61 1.04 0.71 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 0.00 105 K 8.90 4.31 0.00 1.83 1.93 0.00 2.09 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.11 4.50 0.00 3.87 3.88 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 0.00 107 G 8.86 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 0.00 0.00 0.00 108 S 8.63 4.04 0.00 4.01 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 0.00 109 G 8.35 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 0.00 0.00 0.00 110 P 0.00 4.70 0.00 1.74 2.07 0.00 3.67 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 2.22 2.04 0.00 111 V 8.60 4.86 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 1.02 0.00 0.00 0.87 0.00 0.00 112 Y 9.05 5.09 0.00 2.95 2.80 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 0.00 113 V 8.67 5.01 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 1.11 0.00 0.00 0.96 0.00 0.00 114 S 9.02 5.12 0.00 3.88 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 0.00 115 G 7.60 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 0.00 116 Q 8.27 5.21 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 117 H 9.78 5.27 0.00 3.41 3.45 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.27 5.28 0.00 1.75 1.59 0.94 0.63 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 0.00 119 V 8.66 4.58 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 1.26 0.00 0.00 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.