NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0384 8.2548 109.1161 45.1463 0.0000 174.4006 17 I 3.8491 7.3103 121.4559 62.7135 37.7546 175.3901 18 T 3.9568 7.8443 116.6574 63.2793 70.0944 174.2391 19 G 3.4625 7.2908 112.6991 45.0027 0.0000 170.9965 20 T 4.6402 7.5789 117.8169 61.4692 70.4758 174.2708 21 W 4.7854 8.3139 125.5897 54.8303 33.3353 173.9449 22 Y 5.3860 9.0744 120.2272 56.4363 41.1069 175.2885 23 N 5.3156 9.0077 121.1177 50.4820 39.8883 174.7675 24 Q 4.4016 8.6118 114.7751 56.7723 28.7894 175.9806 25 L 4.6484 8.6377 118.1246 54.7989 42.1279 177.6633 26 G 4.0507 8.5849 107.3861 45.1997 0.0000 174.5719 27 S 4.6665 8.0377 115.6563 58.5830 64.7859 173.2116 28 T 5.1108 8.1946 117.3171 61.7547 72.3071 173.0785 29 F 5.1824 8.7485 120.3282 54.9960 41.8438 173.6038 30 I 4.8116 8.5556 122.3805 59.5613 39.4617 174.9619 31 V 4.8812 8.6317 126.6113 60.0511 35.1060 174.6333 32 T 4.7570 9.2529 120.2482 61.8178 70.9038 173.2954 33 A 4.6535 8.4157 129.9560 50.3746 19.0651 177.2988 34 G 3.8050 9.3575 111.5499 45.7312 0.0000 173.7643 35 A 4.0931 8.5456 123.3164 54.0546 18.5914 178.1295 36 D 4.6133 8.1693 114.3467 53.0158 39.8447 177.4393 37 G 3.3409 8.5690 107.9275 45.5099 0.0000 173.3020 38 A 4.7900 8.1141 121.7199 51.3102 20.4478 176.9012 39 L 5.2608 9.0556 121.3719 53.1701 44.4621 175.8748 40 T 4.8332 9.6459 114.0023 59.2192 72.3075 174.7597 41 G 4.0882 6.9820 108.5829 46.6353 0.0000 170.9013 42 T 5.0516 7.9498 116.6533 62.0041 73.1518 172.6525 43 Y 4.9027 9.2251 127.7132 55.9265 40.5193 174.2325 44 E 5.0974 9.2379 128.0526 54.1468 30.9153 175.6799 *52 S 4.6844 8.5262 116.8147 58.3215 63.8511 174.9728 53 R 4.8330 8.4901 120.6987 54.5500 31.0955 174.2377 54 Y 4.9092 8.8985 122.3617 55.9295 42.4926 174.8537 55 V 4.4133 8.5220 121.9118 62.6233 32.3637 175.1296 56 L 5.1035 8.7582 127.8144 54.5779 43.7346 175.2131 57 T 4.6977 8.2898 113.6415 61.6783 71.3513 173.0572 58 G 4.2036 8.5559 113.3971 46.5803 0.0000 172.0664 59 R 5.5813 8.6796 118.0322 54.9441 34.8882 174.0806 60 Y 5.3122 8.4927 118.7127 55.1388 41.6900 174.5565 61 D 4.2774 8.8643 121.0801 54.2781 40.9623 176.3366 62 S 4.2483 8.2150 120.6646 58.9460 64.0204 174.6349 63 A 4.6832 8.1715 123.8660 50.3677 18.9943 173.9826 64 P 4.5936 0.0000 0.0000 61.3238 32.7992 177.1792 65 A 4.3453 8.3341 122.4789 52.5841 18.9065 177.1734 66 T 4.6856 8.2579 107.8943 61.7424 69.1679 174.2682 67 D 4.7584 8.4155 118.7295 54.2641 39.6308 177.0293 68 G 4.0208 8.3452 108.5615 45.8031 0.0000 174.7655 69 S 4.2872 7.7400 115.4144 58.2908 63.3667 174.3429 70 G 3.9998 8.3585 110.8842 46.1225 0.0000 172.6650 71 T 4.7669 9.2145 117.0803 61.5935 69.8973 175.0216 72 A 4.7754 8.6866 129.2364 52.3771 20.0468 175.7506 73 L 4.8775 8.6547 119.2157 55.7770 44.5340 173.5442 74 G 5.0445 9.0649 104.6772 45.5872 0.0000 172.3967 75 W 5.8751 8.0996 117.1687 55.4516 32.1453 173.3813 76 T 5.3192 9.2992 116.9354 61.8752 72.4508 173.3091 77 V 4.4488 8.8407 123.8788 60.9879 34.5636 173.9876 78 A 4.4996 8.3351 129.8163 49.9212 19.8857 177.8864 79 W 4.1296 8.4069 126.0520 55.6026 28.4537 176.4758 80 K 5.3303 7.7839 118.1256 54.7474 35.1775 174.5896 81 N 5.0132 9.1038 123.1202 51.8758 39.6941 174.3267 82 N 3.9526 8.5546 113.6603 56.1407 38.7073 175.3548 83 Y 4.5581 7.8468 114.7561 58.8767 39.3910 175.2992 84 R 4.5559 7.7645 117.4731 55.8525 33.4996 173.0739 85 N 5.1913 8.5834 119.1758 52.8169 41.2120 173.6580 86 A 4.4416 9.1459 128.3482 51.4088 20.1148 175.9792 87 H 4.1618 8.6545 114.2636 56.1593 26.9114 173.3296 88 S 5.2117 7.4578 111.3738 57.9581 66.9015 174.4357 89 A 4.9933 8.9841 120.9218 51.0438 22.8748 175.2835 90 T 4.8949 8.7186 118.0993 61.7149 71.6697 173.3290 91 T 4.9571 8.2968 115.7669 59.5942 71.8580 172.8145 92 W 4.8647 8.5845 124.7436 54.7369 32.0215 174.6670 93 S 4.8256 8.8288 119.1845 56.8905 64.8442 172.4269 94 G 4.4792 8.6133 115.2086 46.3124 0.0000 171.5681 95 Q 5.2253 8.9718 118.5283 54.7739 32.6549 173.6370 96 Y 4.9057 9.0412 122.6806 56.7737 40.7194 174.1895 97 V 4.0938 8.0052 126.4168 61.0325 34.1918 175.5492 98 G 3.7897 8.5558 115.7243 45.0696 0.0000 170.9715 99 G 3.8312 8.7105 104.1941 44.0404 0.0000 172.9086 100 A 4.1462 8.7459 122.3435 54.8650 18.5203 178.4326 101 E 4.5715 7.7092 114.8107 53.4753 29.4666 175.0303 102 A 4.4478 7.9674 122.6763 52.8548 19.6593 177.0542 103 R 5.2738 8.9765 117.7725 55.3337 35.7997 174.1735 104 I 4.8548 9.2600 122.6790 59.8765 39.9277 174.2905 105 N 5.5370 9.3011 125.9496 51.9638 40.4773 174.4897 106 T 5.3149 9.1063 113.1950 60.1522 72.9668 172.7472 107 Q 5.3219 8.9153 121.2879 54.1480 32.3867 174.6567 108 F 5.1858 8.7176 116.5469 54.9258 42.0032 173.5647 109 L 5.0823 8.6199 119.7997 52.8965 44.8030 175.1929 110 L 4.9585 8.8655 126.6311 53.8267 44.0777 174.8541 111 T 4.9552 8.7203 124.1654 62.1145 70.5662 174.1280 112 S 5.1865 8.5505 122.3367 56.4709 65.4632 174.2393 113 G 3.9088 8.8343 112.1004 46.2964 0.0000 173.1592 114 T 4.7786 8.3405 114.7097 59.4771 72.3835 173.4077 115 T 4.2323 8.0007 112.1606 61.0643 69.7151 175.2468 116 E 4.1627 8.5479 120.1830 58.1528 29.7640 178.4448 117 A 4.1913 8.0468 121.5308 54.5639 18.9949 177.8330 118 N 4.7601 8.0144 111.1700 52.9969 39.1568 176.8378 119 A 4.1177 8.1875 123.8101 54.1773 18.7139 180.4723 120 W 4.3083 8.3383 112.4896 58.6185 28.3944 176.7491 121 K 4.0297 6.2896 117.3555 56.1564 32.4422 177.7080 122 S 4.1689 7.7002 116.8138 61.1035 63.5438 173.5488 123 T 5.0694 7.5872 116.9648 61.5741 70.8843 173.6902 124 L 4.6879 8.8142 126.9883 53.4237 43.9158 176.0289 125 V 4.5094 7.8956 120.8954 60.3595 34.3927 175.1868 126 G 3.4924 7.1831 108.4297 46.1339 0.0000 171.2051 127 H 5.5228 8.1634 113.9140 54.8204 32.0422 172.3007 128 D 4.7807 9.1609 116.8007 53.7609 45.0586 173.9708 129 T 5.3648 8.5278 121.3812 61.8761 71.7670 172.9346 130 F 5.4022 9.3656 124.0586 56.1998 42.4701 174.6071 131 T 5.3312 9.0912 118.2375 61.7897 72.5906 174.7156 132 K 3.7771 8.9495 120.6479 57.7120 32.4124 177.5568 133 V 3.6166 7.2466 124.4192 62.9203 32.3125 173.9693 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 16 G 8.25 4.04 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 0.00 0.00 0.00 17 I 7.31 3.85 1.41 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.04 0.56 0.00 0.00 18 T 7.84 3.96 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 1.19 0.00 0.00 19 G 7.29 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.58 4.64 3.95 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 0.68 0.00 0.00 21 W 8.31 4.79 0.00 1.82 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 22 Y 9.07 5.39 0.00 2.94 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 23 N 9.01 5.32 0.00 2.70 2.15 0.00 0.00 6.95 6.67 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 24 Q 8.61 4.40 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.49 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 25 L 8.64 4.65 0.00 1.68 1.72 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.58 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 27 S 8.04 4.67 0.00 4.18 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 28 T 8.19 5.11 4.21 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 1.06 0.00 0.00 29 F 8.75 5.18 0.00 2.87 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 0.00 0.00 0.00 30 I 8.56 4.81 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 0.81 0.00 0.00 31 V 8.63 4.88 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 0.69 0.00 0.00 0.81 0.00 0.00 32 T 9.25 4.76 4.20 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 1.18 0.00 0.00 33 A 8.42 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.36 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 35 A 8.55 4.09 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 36 D 8.17 4.61 0.00 2.78 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 37 G 8.57 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 0.00 0.00 0.00 38 A 8.11 4.79 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 39 L 9.06 5.26 0.00 1.77 1.55 0.77 0.85 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 40 T 9.65 4.83 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 1.21 0.00 0.00 41 G 6.98 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 42 T 7.95 5.05 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 1.25 0.00 0.00 43 Y 9.23 4.90 0.00 2.90 2.89 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 44 E 9.24 5.10 0.00 2.13 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 2.34 2.20 0.00 *52 S 8.53 4.68 0.00 4.00 3.57 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 53 R 8.49 4.83 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 54 Y 8.90 4.91 0.00 2.91 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 55 V 8.52 4.41 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 0.79 0.00 0.00 0.94 0.00 0.00 56 L 8.76 5.10 0.00 1.69 1.68 nan 0.49 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 57 T 8.29 4.70 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 1.23 0.00 0.00 58 G 8.56 4.20 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 0.00 59 R 8.68 5.58 0.00 1.74 1.79 0.00 3.27 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.49 5.31 0.00 2.99 2.85 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 61 D 8.86 4.28 0.00 2.69 2.71 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 0.00 0.00 0.00 62 S 8.21 4.25 0.00 3.88 3.43 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 0.00 0.00 0.00 0.00 63 A 8.17 4.68 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 P 0.00 4.59 0.00 2.28 2.16 0.00 3.83 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 2.07 2.09 0.00 65 A 8.33 4.35 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 66 T 8.26 4.69 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 67 D 8.42 4.76 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 68 G 8.35 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 69 S 7.74 4.29 0.00 3.98 3.84 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 0.00 0.00 0.00 70 G 8.36 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 71 T 9.21 4.77 4.58 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 1.46 0.00 0.00 72 A 8.69 4.78 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 73 L 8.65 4.88 0.00 2.08 1.94 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.06 5.04 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 0.00 0.00 0.00 75 W 8.10 5.88 0.00 3.36 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 76 T 9.30 5.32 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 1.23 0.00 0.00 77 V 8.84 4.45 1.61 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 -0.73 0.00 0.00 0.74 0.00 0.00 78 A 8.34 4.50 1.15 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 79 W 8.41 4.13 0.00 3.32 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 80 K 7.78 5.33 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 N 9.10 5.01 0.00 2.79 2.71 0.00 0.00 6.66 7.59 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 82 N 8.55 3.95 0.00 1.51 2.31 0.00 0.00 6.68 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 83 Y 7.85 4.56 0.00 3.09 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 84 R 7.76 4.56 0.00 1.95 1.88 0.00 3.41 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 85 N 8.58 5.19 0.00 2.69 2.58 0.00 0.00 6.85 7.96 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 86 A 9.15 4.44 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 87 H 8.65 4.16 0.00 3.31 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.46 5.21 0.00 4.00 3.95 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 89 A 8.98 4.99 1.16 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 0.00 0.00 0.00 90 T 8.72 4.89 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 -0.61 0.00 0.00 91 T 8.30 4.96 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 1.14 0.00 0.00 92 W 8.58 4.86 0.00 1.78 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 0.00 0.00 0.00 93 S 8.83 4.83 0.00 3.80 3.64 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 0.00 0.00 0.00 0.00 94 G 8.61 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.97 5.23 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.04 4.91 0.00 3.03 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 97 V 8.01 4.09 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 8.56 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 99 G 8.71 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 0.00 100 A 8.75 4.15 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 0.00 101 E 7.71 4.57 0.00 1.95 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 2.21 2.22 0.00 102 A 7.97 4.45 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 0.00 103 R 8.98 5.27 0.00 1.86 1.93 0.00 3.16 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 104 I 9.26 4.85 1.84 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.04 1.13 0.00 0.00 105 N 9.30 5.54 0.00 2.71 2.82 0.00 0.00 6.06 7.91 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 0.00 106 T 9.11 5.31 4.47 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 1.50 0.00 0.00 107 Q 8.92 5.32 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 108 F 8.72 5.19 0.00 2.28 2.41 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 0.00 109 L 8.62 5.08 0.00 1.46 1.49 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.87 4.96 0.00 1.69 1.58 0.97 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.72 4.96 4.21 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 1.18 0.00 0.00 112 S 8.55 5.19 0.00 3.68 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 0.00 113 G 8.83 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 T 8.34 4.78 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 1.20 0.00 0.00 115 T 8.00 4.23 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 1.20 0.00 0.00 116 E 8.55 4.16 0.00 2.00 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 2.32 2.26 0.00 117 A 8.05 4.19 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 0.00 118 N 8.01 4.76 0.00 2.72 2.66 0.00 0.00 6.81 8.01 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 0.00 119 A 8.19 4.12 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 0.00 120 W 8.34 4.31 0.00 3.58 3.23 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 0.00 121 K 6.29 4.03 0.00 1.11 0.74 0.00 1.03 0.00 0.00 0.96 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.55 0.81 7.81 122 S 7.70 4.17 0.00 4.13 4.06 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 0.00 123 T 7.59 5.07 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 1.15 0.00 0.00 124 L 8.81 4.69 0.00 1.59 1.53 0.89 0.85 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 0.00 125 V 7.90 4.51 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 0.60 0.00 0.00 0.80 0.00 0.00 126 G 7.18 3.49 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 0.00 127 H 8.16 5.52 0.00 3.25 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.16 4.78 0.00 3.13 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 0.00 129 T 8.53 5.36 4.31 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 1.41 0.00 0.00 130 F 9.37 5.40 0.00 3.14 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 0.00 131 T 9.09 5.33 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 1.38 0.00 0.00 132 K 8.95 3.78 0.00 1.49 1.43 0.00 1.11 0.00 0.00 1.27 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.71 7.81 133 V 7.25 3.62 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 0.33 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.