NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.5505 8.3193 115.4234 57.7299 65.0614 173.5666 7 N 4.6784 7.6391 119.3848 49.3723 40.5713 173.2810 8 P 4.0611 0.0000 0.0000 65.2631 31.8634 179.7753 9 E 3.8075 7.8827 118.4282 59.5457 29.3950 178.5623 10 D 4.3698 8.6077 119.0213 57.4119 40.8205 178.9509 11 L 4.1602 7.7776 118.6316 57.9090 41.6887 179.3344 12 A 3.9836 8.1640 120.7586 55.1927 18.2705 179.9196 13 K 3.9189 8.0466 116.7779 59.8158 32.1075 179.5051 14 N 4.4858 8.5346 117.1147 56.0120 38.4437 177.2713 15 F 3.2657 8.1865 122.3392 61.3663 39.4451 177.2400 16 T 3.7155 8.0020 115.2506 66.3900 68.3072 176.2987 17 K 3.8723 8.4310 121.7944 59.9082 32.1014 178.5621 18 D 4.4714 8.2706 120.5884 56.5651 40.6981 178.5762 19 L 3.6473 7.6790 120.9474 58.2130 41.9762 178.3897 20 Y 4.1446 7.9247 115.7735 59.4962 37.7930 176.8964 21 S 4.6678 7.9359 114.0276 58.1738 63.3765 175.5038 22 G 3.9869 7.5743 110.2828 45.8906 0.0000 174.4092 23 D 4.6541 7.5132 121.7794 52.2660 39.5703 176.5973 24 T 3.8712 7.9789 119.2473 66.1421 69.2428 175.8543 25 K 4.1345 8.1881 121.2324 59.6130 32.6058 178.0518 26 S 4.3033 8.7476 114.1109 61.9275 62.9647 176.4624 27 V 3.6828 7.9555 119.9649 63.9575 31.6038 177.5351 *29 S 4.4669 8.0303 112.9802 57.6278 64.6717 173.7296 30 Y 4.4932 8.4073 117.9410 58.8911 38.9804 175.2146 31 I 4.6011 7.7127 120.3346 59.9749 38.7677 175.6593 32 D 4.5130 8.9540 127.0426 54.3924 40.4253 175.5672 33 L 4.5585 8.3985 124.4343 54.2733 42.3077 179.0436 34 S 4.1774 8.2002 117.1886 61.7161 63.0938 176.4059 35 E 3.9480 8.1904 116.3106 58.3376 29.6868 180.8353 36 A 4.4425 7.5408 121.7018 51.2835 17.7470 177.3647 37 K 4.0937 8.5984 123.2571 59.4366 33.0052 179.0150 38 S 4.5691 8.0082 112.5180 57.5874 65.6820 174.8744 39 D 4.3862 8.5216 121.8647 57.2075 40.3871 178.3855 40 E 3.9554 8.2779 119.5637 59.6069 29.2171 178.7639 41 E 3.9453 7.9702 117.8885 59.3091 29.4867 179.3272 42 K 4.0188 8.1127 118.4748 59.9271 32.1755 179.4638 43 T 3.8648 8.2542 115.9265 66.5829 68.4251 176.1845 44 F 3.9761 8.4723 122.8718 61.5151 39.3203 177.3165 45 V 3.6905 8.3312 117.7347 66.2487 31.3400 177.9465 46 S 4.1104 8.4585 113.2041 61.2895 62.2226 175.2380 47 D 4.2447 8.5325 121.1208 57.3947 40.9093 178.1710 48 K 3.7183 7.7195 118.6152 59.7501 32.1139 179.2848 49 I 3.6858 7.8054 119.5841 64.7865 37.0592 178.4364 50 T 3.9081 8.2656 116.8989 66.9491 68.2150 176.5875 51 Q 3.9746 8.0199 119.7960 58.6069 28.7764 178.6758 52 V 3.4607 7.8751 119.3699 66.0583 31.6025 178.1134 53 V 3.3960 8.0930 118.1163 66.0578 31.2923 177.8580 54 A 3.9486 7.8148 119.9412 54.9459 18.1524 179.2910 55 E 3.8492 8.1385 117.9214 59.4481 29.7306 178.7413 56 N 4.3231 8.1659 116.3136 56.2130 38.5450 177.1991 57 A 4.4680 8.3441 123.2169 54.8015 18.6588 179.6318 58 A 3.9761 8.0670 119.2410 54.8943 18.1406 179.8313 59 K 3.7894 8.2441 117.8452 59.6188 32.6489 178.6267 60 A 3.9588 8.7311 121.4033 54.9139 18.1135 179.3814 61 K 3.8880 7.8804 117.1094 59.5025 32.3396 180.3660 62 R 4.0622 7.4878 116.7245 56.2630 30.1713 177.0905 *64 G 3.6952 8.0067 103.5911 44.0835 0.0000 174.3436 65 G 4.0058 8.7180 106.7947 44.7423 0.0000 172.9027 66 V 4.0975 7.9702 118.3734 62.1714 32.2829 175.3801 67 K 4.2081 9.0937 129.6555 58.9740 32.7571 175.7602 68 D 4.6655 7.4671 116.8246 53.4156 45.0792 173.5127 69 I 4.9964 8.0280 121.1152 59.6933 40.5467 175.0776 70 Q 4.5899 9.0344 124.6717 54.2945 33.6077 173.8069 71 I 4.6552 8.2744 122.3375 60.3741 38.0031 175.2795 72 E 4.5364 8.9579 126.0641 57.3163 31.5449 176.3547 73 E 4.7970 7.8059 116.7638 54.6797 34.4086 174.6437 74 K 4.8650 8.4957 121.0157 55.0819 36.2169 176.1440 75 T 4.5197 9.2110 120.9410 61.9055 71.6659 172.7655 76 I 5.1772 8.2817 126.3497 59.6010 40.8673 175.0049 77 N 5.1731 8.9757 126.7304 52.1527 39.5863 174.3166 78 K 4.2379 9.1722 118.0186 58.0204 31.9054 173.1727 79 D 4.7726 8.3017 115.8459 52.3974 41.1941 175.2193 80 S 5.5076 9.2363 113.5059 57.6817 67.0241 172.8463 81 A 5.1727 9.3309 122.0939 50.7049 23.1730 175.2329 82 K 4.5365 8.9682 121.4666 54.6953 35.7785 175.2126 83 I 4.8672 8.2190 127.6943 59.5033 41.2627 174.4117 84 R 4.5672 8.8054 128.8639 55.7086 31.2432 174.9999 85 V 4.6062 8.5139 127.2114 61.1697 33.8925 173.9300 86 L 4.9266 9.3267 130.9595 53.4339 44.0947 174.8240 87 V 4.2966 8.7398 126.9146 61.1378 33.5791 174.1357 88 L 4.9959 8.1389 128.0084 52.4825 43.5205 176.1921 89 F 5.1458 8.7509 123.2343 56.3088 40.7805 176.9104 90 N 4.5776 9.3175 118.3298 55.1541 38.4274 175.8539 91 N 4.6304 8.1394 114.8488 52.6211 37.6678 175.6190 92 D 4.7480 8.1520 117.6590 54.5976 39.5938 173.9854 93 N 4.8333 8.1596 117.2878 52.9502 40.0268 174.0067 94 N 5.5319 8.7095 118.2862 51.8233 43.2194 173.2472 95 Q 4.9162 8.8824 118.8965 54.6152 33.6515 174.1871 96 S 5.5847 8.7163 115.2105 56.3649 66.6128 172.8065 97 S 4.6808 8.2849 113.8821 57.6582 66.2124 172.7279 98 N 5.0572 8.7036 118.3379 52.6215 39.6943 174.8044 99 V 4.2883 8.9034 124.0473 61.5327 33.4962 174.4104 100 F 5.2826 8.9336 126.5638 56.3379 40.9560 174.8433 101 L 5.5401 9.2969 122.1121 53.0510 46.1125 175.3381 102 A 5.2436 8.8931 121.9704 50.0889 22.9423 174.9303 103 K 4.1040 7.8929 122.0788 55.0970 32.8018 176.5502 104 K 4.5054 8.9320 126.1737 56.2624 37.2711 176.1247 105 D 4.2640 8.3533 122.1160 56.3199 39.4575 174.7827 106 R 4.5428 8.5371 124.2887 56.6487 30.7153 175.4937 107 K 4.7791 7.4696 116.5888 54.7762 36.1011 175.0827 108 W 4.9354 8.8488 121.4601 56.3474 30.3513 175.7773 109 L 5.0764 9.0935 123.1937 52.8268 45.7639 175.9015 110 V 4.2187 8.6036 123.0588 62.7107 32.4787 175.2584 111 L 4.5727 8.8359 128.5920 54.0735 42.8385 176.9597 112 L 4.2570 8.4581 122.7486 54.2270 41.5801 177.3033 113 K 4.0774 8.5400 122.5145 56.4264 32.1631 176.8374 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 6 S 8.32 4.55 0.00 4.10 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 7 N 7.64 4.68 0.00 2.95 2.93 0.00 0.00 5.94 6.88 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 8 P 0.00 4.06 0.00 1.70 1.09 0.00 3.24 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 9 E 7.88 3.81 0.00 2.15 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 2.31 2.34 0.00 10 D 8.61 4.37 0.00 2.67 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 11 L 7.78 4.16 0.00 2.00 1.81 1.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.16 3.98 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 13 K 8.05 3.92 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 14 N 8.53 4.49 0.00 2.97 3.09 0.00 0.00 6.71 8.54 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 15 F 8.19 3.27 0.00 2.06 2.94 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 16 T 8.00 3.72 4.40 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 1.31 0.00 0.00 17 K 8.43 3.87 0.00 1.96 2.01 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.36 7.81 18 D 8.27 4.47 0.00 2.77 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 19 L 7.68 3.65 0.00 1.27 1.44 0.57 0.47 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 20 Y 7.92 4.14 0.00 3.17 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 21 S 7.94 4.67 0.00 4.09 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 22 G 7.57 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 23 D 7.51 4.65 0.00 2.67 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 24 T 7.98 3.87 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 1.22 0.00 0.00 25 K 8.19 4.13 0.00 1.73 2.01 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 S 8.75 4.30 0.00 4.12 4.30 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 27 V 7.96 3.68 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 1.06 0.00 0.00 0.78 0.00 0.00 *29 S 8.03 4.47 0.00 3.98 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 30 Y 8.41 4.49 0.00 3.13 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 31 I 7.71 4.60 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.97 0.00 0.00 32 D 8.95 4.51 0.00 2.68 2.64 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 33 L 8.40 4.56 0.00 1.77 1.68 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.20 4.18 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 35 E 8.19 3.95 0.00 2.01 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 2.23 1.88 0.00 36 A 7.54 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 37 K 8.60 4.09 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.35 7.81 38 S 8.01 4.57 0.00 4.08 3.98 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 39 D 8.52 4.39 0.00 2.72 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 40 E 8.28 3.96 0.00 2.04 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 2.38 2.45 0.00 41 E 7.97 3.95 0.00 2.16 1.98 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 2.23 2.30 0.00 42 K 8.11 4.02 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.53 7.81 43 T 8.25 3.86 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 1.24 0.00 0.00 44 F 8.47 3.98 0.00 3.21 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 45 V 8.33 3.69 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 1.01 0.00 0.00 1.07 0.00 0.00 46 S 8.46 4.11 0.00 4.05 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 47 D 8.53 4.24 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 3.72 0.00 1.88 1.77 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.07 0.91 7.81 49 I 7.81 3.69 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.95 0.00 0.00 50 T 8.27 3.91 4.32 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 1.19 0.00 0.00 51 Q 8.02 3.97 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 52 V 7.88 3.46 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 0.95 0.00 0.00 0.96 0.00 0.00 53 V 8.09 3.40 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 0.93 0.00 0.00 0.85 0.00 0.00 54 A 7.81 3.95 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 55 E 8.14 3.85 0.00 2.04 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 2.29 2.33 0.00 56 N 8.17 4.32 0.00 2.62 2.07 0.00 0.00 6.95 7.13 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 57 A 8.34 4.47 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 58 A 8.07 3.98 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 59 K 8.24 3.79 0.00 1.88 2.14 0.00 1.98 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.25 1.41 7.81 60 A 8.73 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.88 3.89 0.00 2.17 1.98 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.33 7.81 62 R 7.49 4.06 0.00 2.05 1.79 0.00 3.29 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 *64 G 8.01 3.70 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 0.00 0.00 0.00 65 G 8.72 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 66 V 7.97 4.10 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 0.67 0.00 0.00 0.89 0.00 0.00 67 K 9.09 4.21 0.00 1.88 1.90 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 68 D 7.47 4.67 0.00 2.74 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 0.00 0.00 0.00 0.00 69 I 8.03 5.00 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.85 0.00 0.00 70 Q 9.03 4.59 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 71 I 8.27 4.66 1.82 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 1.29 0.48 0.85 0.00 0.00 72 E 8.96 4.54 0.00 1.79 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 2.22 2.21 0.00 73 E 7.81 4.80 0.00 1.80 1.72 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 2.26 2.30 0.00 74 K 8.50 4.86 0.00 1.52 1.58 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.37 7.81 75 T 9.21 4.52 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 1.22 0.00 0.00 76 I 8.28 5.18 1.81 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 1.25 0.50 0.77 0.00 0.00 77 N 8.98 5.17 0.00 2.81 2.84 0.00 0.00 6.87 6.66 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 78 K 9.17 4.24 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.01 7.81 79 D 8.30 4.77 0.00 2.57 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 80 S 9.24 5.51 0.00 4.00 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 81 A 9.33 5.17 1.06 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 0.00 0.00 82 K 8.97 4.54 0.00 1.63 1.48 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.88 0.40 7.81 83 I 8.22 4.87 1.74 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 0.97 0.59 0.86 0.00 0.00 84 R 8.81 4.57 0.00 2.04 1.83 0.00 3.06 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 85 V 8.51 4.61 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 0.83 0.00 0.00 0.96 0.00 0.00 86 L 9.33 4.93 0.00 1.68 1.56 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.74 4.30 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 -0.07 0.00 0.00 0.56 0.00 0.00 88 L 8.14 5.00 0.00 1.53 1.50 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.75 5.15 0.00 3.18 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 90 N 9.32 4.58 0.00 2.78 2.89 0.00 0.00 6.94 7.54 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 91 N 8.14 4.63 0.00 2.82 2.90 0.00 0.00 6.21 8.06 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 92 D 8.15 4.75 0.00 2.93 2.94 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 93 N 8.16 4.83 0.00 3.01 2.82 0.00 0.00 6.72 6.34 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 94 N 8.71 5.53 0.00 2.57 2.58 0.00 0.00 6.82 7.32 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 95 Q 8.88 4.92 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 96 S 8.72 5.58 0.00 3.87 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 97 S 8.28 4.68 0.00 3.96 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 98 N 8.70 5.06 0.00 2.62 2.16 0.00 0.00 6.78 7.68 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 99 V 8.90 4.29 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 0.85 0.00 0.00 1.02 0.00 0.00 100 F 8.93 5.28 0.00 3.03 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 0.00 101 L 9.30 5.54 0.00 1.76 1.92 0.84 0.66 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 0.00 102 A 8.89 5.24 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 0.00 103 K 7.89 4.10 0.00 0.79 1.04 0.00 1.02 0.00 0.00 1.26 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.93 0.41 7.81 104 K 8.93 4.51 0.00 1.72 1.56 0.00 1.94 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.33 7.81 105 D 8.35 4.26 0.00 2.74 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 0.00 0.00 0.00 0.00 106 R 8.54 4.54 0.00 1.73 1.88 0.00 3.16 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 107 K 7.47 4.78 0.00 1.81 1.87 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 108 W 8.85 4.94 0.00 3.22 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 0.00 109 L 9.09 5.08 0.00 1.57 1.54 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.60 4.22 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 0.42 0.00 0.00 0.34 0.00 0.00 111 L 8.84 4.57 0.00 1.59 1.58 0.99 0.96 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 0.00 112 L 8.46 4.26 0.00 1.66 1.67 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.54 4.08 0.00 1.67 1.55 0.00 1.22 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 0.23 7.81 * Residues marked with a * may have inaccurate shift predictions.