NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4364 8.3193 115.2881 58.8604 63.6611 170.7186 0 H 4.5938 7.9345 113.8647 54.4736 30.6624 171.1154 2 F 5.1733 8.7971 116.3484 56.5733 44.2040 175.4574 3 S 5.2702 8.6745 114.1352 57.2766 66.1772 172.8967 4 I 4.8240 8.8643 120.5533 59.6559 41.5824 174.0556 5 T 5.2925 8.5958 123.0255 61.9073 71.7587 173.6091 6 V 4.5790 8.8303 118.6060 59.4929 35.3370 174.4036 7 R 5.0999 8.6170 124.0144 54.9342 31.7263 174.2298 8 D 5.2517 9.1082 125.6949 53.5531 45.2271 173.2077 9 H 5.1203 8.4936 111.9447 54.8854 31.0254 173.4586 10 I 4.7876 8.6705 114.3285 58.7422 40.9863 173.9790 *12 I 4.3534 8.3245 113.5313 61.1715 39.4813 174.5805 13 A 5.1920 8.1878 124.2579 50.8117 22.0132 175.1620 14 H 4.9037 8.4613 114.2775 55.1999 32.2347 172.7367 15 S 4.6243 9.0171 113.1114 56.5735 66.3149 173.1657 16 F 4.9735 8.3799 118.6235 55.6527 42.1930 174.5896 17 R 4.7194 9.9551 122.1223 54.2539 31.5604 174.3916 18 G 4.0239 9.1839 110.1827 43.5570 0.0000 174.0664 19 D 4.4512 9.0192 124.5668 57.2272 41.0670 179.3541 20 V 3.5188 7.6153 117.2095 64.2319 31.4220 177.0293 21 F 4.4956 8.3135 118.7494 57.4812 40.6755 177.3473 22 G 3.8524 7.7162 109.2449 46.1108 0.0000 175.9566 23 P 4.3579 0.0000 0.0000 64.4438 31.5793 177.2246 24 A 4.1881 8.1390 121.5032 53.3003 18.3317 179.0499 25 Q 4.9751 7.9285 114.8805 57.6963 29.0845 177.2390 26 R 4.1728 7.6238 116.7310 55.0285 30.7893 176.1146 27 L 4.1577 8.3384 123.1953 55.6616 42.9465 175.8223 28 H 4.6903 9.0040 123.4508 54.9819 30.4063 170.7112 29 G 4.3274 8.3095 104.6933 46.7240 0.0000 171.7781 30 A 4.4973 8.1956 119.1976 51.0936 22.4139 176.3475 31 T 4.4203 8.2017 117.4564 62.1641 70.2804 174.1895 32 F 5.2887 8.8453 126.0004 55.5807 41.3613 175.1661 33 L 4.6158 8.8418 125.2862 54.6914 42.9505 176.3203 34 V 4.7151 9.1749 124.4037 61.4263 33.8719 173.8394 35 D 5.4189 9.2757 129.2636 52.6246 43.1848 175.3387 36 A 4.8310 8.9365 126.5609 50.5038 21.3073 175.2252 37 T 4.9372 8.7953 120.3281 62.0472 70.9824 173.7602 38 F 5.3003 9.4795 125.9315 55.5575 41.7372 174.8746 39 R 5.4805 9.0085 120.0177 54.6271 32.6593 174.7542 40 R 4.9293 8.9916 116.4691 55.2798 32.7945 175.8694 41 E 4.2028 8.9865 119.6945 58.5777 29.9800 177.6253 42 Q 4.7898 7.7685 115.6754 53.4463 32.3716 175.0624 43 L 3.7486 7.9126 121.9551 54.6941 42.3773 177.3633 44 D 4.6739 8.4249 121.7409 52.4064 40.9587 176.7017 45 E 3.9212 8.5787 115.9553 59.2201 29.6102 177.1704 46 D 4.5267 8.1205 117.6329 53.8062 41.0716 175.5881 47 N 4.1975 8.2425 117.0883 54.5489 37.6522 173.3911 48 I 4.6397 7.4478 107.3999 58.2936 41.1683 176.2475 49 V 3.5481 8.3813 120.6643 65.5164 31.6123 176.5022 50 V 4.2106 7.1804 115.2394 58.7957 33.6974 172.7584 51 D 4.2201 8.5980 120.9218 55.0350 41.6585 177.1802 52 I 3.8339 8.3556 128.0339 63.7009 38.1120 177.8128 53 G 3.5648 8.0876 106.4745 47.8115 0.0000 175.6035 54 L 3.9932 8.1548 121.5083 57.0540 41.5218 179.2598 55 A 3.7964 8.2264 121.5146 55.5022 18.2605 179.8913 56 T 3.8710 8.1390 108.4178 64.8007 68.8941 176.5366 57 Q 3.9432 8.1964 122.4092 59.1425 29.0765 178.2849 58 E 4.0178 8.6317 120.0098 59.1226 29.4350 178.9405 59 L 4.0952 8.3612 120.8559 58.2043 42.1146 179.1590 60 G 3.7054 8.5467 105.7880 47.2385 0.0000 175.4996 61 A 4.0063 7.8052 122.0735 54.7417 18.3605 179.6160 62 V 3.6961 7.9630 116.8166 66.5073 31.6408 178.7867 63 V 3.8471 8.2139 112.0531 63.8345 31.2718 178.7567 64 G 3.6514 8.3992 105.7346 47.5137 0.0000 175.0006 65 A 4.1578 7.6883 120.5173 53.5419 18.5983 178.3223 66 L 4.5739 7.8271 116.2195 54.3073 43.6666 176.7178 67 N 4.2935 7.2988 117.2939 54.6789 39.4290 173.9398 68 Y 3.6336 8.0838 119.2335 59.3307 35.7260 170.2074 69 R 4.6463 7.6273 115.7817 54.2173 34.2900 174.6915 70 N 4.9615 8.5300 119.2863 52.6011 38.7064 175.8839 71 L 4.3244 8.9641 127.8597 57.3199 41.9832 179.5819 72 D 4.4311 8.3615 118.1966 56.6975 40.7507 176.8577 73 N 4.7932 8.0457 114.0672 52.7826 39.1869 174.4049 74 E 4.3066 8.0616 120.5137 54.8947 30.1703 175.7695 75 P 4.2151 0.0000 0.0000 65.7251 31.6258 178.3618 76 D 4.1632 7.7562 116.5754 56.3980 40.9146 177.0197 77 F 5.0625 7.9044 116.1470 56.7818 39.6600 174.6178 78 A 4.1539 7.6757 124.3902 54.0013 18.2328 178.9941 79 G 3.9114 8.9859 110.2941 45.6080 0.0000 173.1028 80 V 4.2007 7.5215 118.8889 60.4200 33.4835 174.9818 81 N 4.4800 8.4542 124.5927 53.4875 38.9657 176.4256 82 T 4.3450 8.2897 118.9234 60.4531 68.1178 175.1126 83 S 4.5085 7.5841 119.0971 59.0273 65.6615 175.0783 84 T 3.5951 8.6716 119.7968 66.9373 68.1056 176.5805 85 E 3.9637 8.1309 118.8367 59.3151 29.7236 178.7360 86 F 4.0270 8.1271 121.2572 61.0591 39.4229 177.1682 87 L 3.5844 8.1540 118.4669 57.3697 41.1940 179.2369 88 A 3.8405 7.8882 120.9044 55.0364 18.2588 179.6517 89 K 3.2426 7.4115 117.9095 59.1610 32.1123 179.0222 90 V 3.3269 7.1268 118.5035 66.1722 31.2684 178.1610 91 I 3.6749 7.7913 119.2051 64.1667 36.8488 178.1898 92 A 3.9754 8.1742 121.9129 55.4833 18.2382 179.5141 93 D 4.3252 8.4957 117.7241 57.5087 40.9823 179.2811 94 R 3.9650 8.0843 118.7212 59.1205 29.9593 179.0618 95 L 4.0532 8.2729 118.8673 57.6365 41.5404 179.2854 96 A 3.9432 8.2671 120.9466 55.2317 18.4551 179.1753 97 E 3.9140 8.3340 117.7306 59.6851 29.6374 179.3640 98 R 3.9693 7.9869 117.6899 58.9780 30.1073 179.0587 99 V 3.5727 8.0814 118.4392 66.5833 31.3525 177.9563 100 H 4.4708 8.2339 114.3758 57.8357 28.5965 176.8663 101 K 4.3995 7.8389 118.5099 56.6989 33.1782 177.5150 102 G 3.8813 8.1256 108.9563 45.6785 0.0000 175.3358 103 A 4.0985 8.0192 122.8682 54.0157 18.4905 178.8919 104 L 4.4182 7.9781 114.4851 54.2757 42.0447 177.4708 105 G 4.0547 7.9268 104.8605 45.7798 0.0000 175.2173 106 E 4.0746 8.7136 119.6079 59.1289 29.4164 180.0278 107 G 3.6197 8.0866 105.2018 47.5295 0.0000 175.1859 108 A 4.1577 7.8233 122.3094 54.2454 18.1231 179.5591 109 R 4.1488 7.7886 115.7342 58.4406 30.1678 178.2152 110 G 3.8609 7.8164 103.7276 44.2191 0.0000 174.0435 111 L 4.2610 7.2354 121.0658 54.8438 42.4244 177.1387 112 A 4.2202 9.1177 125.1117 54.1231 19.3675 177.3430 113 G 4.4655 7.2227 100.7130 46.4623 0.0000 172.1404 114 L 5.2980 8.3223 118.2750 53.3480 46.5636 176.1888 115 T 4.9752 8.6766 117.6887 61.7710 72.7826 172.9867 116 V 4.7775 8.8184 125.5366 61.3397 34.5817 174.1486 117 T 5.0776 8.9578 124.4185 61.7244 71.6046 172.8120 118 L 5.2196 9.0592 126.5710 53.3005 44.6806 175.0495 119 H 5.2395 9.3776 121.9150 54.3563 29.8668 175.5183 120 E 4.3799 9.2338 125.4154 58.4053 30.0017 175.6945 121 S 4.6660 7.5906 110.4615 58.1641 65.0677 174.0840 122 H 4.5913 9.1953 114.6137 57.5599 28.5462 175.9063 123 V 4.5565 8.0070 111.3417 60.7207 33.4617 175.1319 124 A 4.5161 8.0419 123.3505 50.4774 21.9188 175.5974 125 W 5.7238 7.9516 118.1433 55.3118 31.4668 173.4436 126 A 4.9663 9.1110 119.9571 50.6554 22.3601 175.2190 127 S 5.1919 8.5229 112.6941 57.0880 66.8253 172.6205 128 Y 4.8498 9.1244 121.3809 56.0107 42.0557 173.5329 129 E 5.0258 8.1633 125.3605 54.4843 32.2711 175.3415 130 R 4.5706 8.6680 119.0297 54.4385 33.4399 174.3165 131 A 4.6448 8.4964 121.6089 51.6743 19.8644 177.7287 132 L 4.2952 8.3126 118.5431 54.9445 41.9419 176.9207 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 -1 S 8.32 4.44 0.00 3.82 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 H 7.93 4.59 0.00 3.16 3.18 0.00 5.52 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.80 5.17 0.00 3.13 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 3 S 8.67 5.27 0.00 3.96 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 4 I 8.86 4.82 1.94 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 1.28 1.03 1.04 0.00 0.00 5 T 8.60 5.29 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 1.21 0.00 0.00 6 V 8.83 4.58 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 0.80 0.00 0.00 1.17 0.00 0.00 7 R 8.62 5.10 0.00 1.87 1.80 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 8 D 9.11 5.25 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.49 5.12 0.00 3.32 3.19 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.67 4.79 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 1.04 2.07 0.94 0.00 0.00 *12 I 8.32 4.35 1.91 0.00 0.00 0.55 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 0.37 0.97 0.00 0.00 13 A 8.19 5.19 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 14 H 8.46 4.90 0.00 2.99 3.19 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.02 4.62 0.00 3.92 3.74 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 16 F 8.38 4.97 0.00 2.39 1.45 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 0.00 0.00 0.00 0.00 17 R 9.96 4.72 0.00 1.73 1.85 0.00 3.26 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 1.59 1.58 0.00 18 G 9.18 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 19 D 9.02 4.45 0.00 2.70 2.73 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 20 V 7.62 3.52 1.80 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 -0.31 0.00 0.00 0.64 0.00 0.00 21 F 8.31 4.50 0.00 3.37 3.24 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 22 G 7.72 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 23 P 0.00 4.36 0.00 2.24 2.33 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 24 A 8.14 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.93 4.98 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.87 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 26 R 7.62 4.17 0.00 1.90 1.86 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 27 L 8.34 4.16 0.00 1.55 1.57 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 H 9.00 4.69 0.00 3.24 3.28 0.00 5.32 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.31 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 0.00 0.00 0.00 0.00 30 A 8.20 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.20 4.42 4.18 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 0.00 0.00 1.27 0.00 0.00 32 F 8.85 5.29 0.00 2.97 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 33 L 8.84 4.62 0.00 1.70 1.61 0.82 0.61 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 34 V 9.17 4.72 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 35 D 9.28 5.42 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.94 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.80 4.94 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 1.25 0.00 0.00 38 F 9.48 5.30 0.00 2.91 2.96 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 0.00 0.00 0.00 39 R 9.01 5.48 0.00 1.98 2.04 0.00 2.75 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 40 R 8.99 4.93 0.00 1.90 2.07 0.00 2.88 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 41 E 8.99 4.20 0.00 2.02 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 2.45 2.35 0.00 42 Q 7.77 4.79 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 43 L 7.91 3.75 0.00 1.32 1.33 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.42 4.67 0.00 2.77 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 45 E 8.58 3.92 0.00 2.07 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 0.00 2.25 2.30 0.00 46 D 8.12 4.53 0.00 2.77 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 47 N 8.24 4.20 0.00 2.79 2.88 0.00 0.00 6.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.45 4.64 1.81 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 1.38 0.50 0.92 0.00 0.00 49 V 8.38 3.55 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 0.94 0.00 0.00 0.98 0.00 0.00 50 V 7.18 4.21 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 0.30 0.00 0.00 0.62 0.00 0.00 51 D 8.60 4.22 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.83 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.89 0.00 0.00 53 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.99 0.00 1.77 1.66 0.96 0.93 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 55 A 8.23 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.14 3.87 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 1.28 0.00 0.00 57 Q 8.20 3.94 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 58 E 8.63 4.02 0.00 2.06 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 2.49 2.45 0.00 59 L 8.36 4.10 0.00 1.94 1.79 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.55 3.71 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 0.00 0.00 0.00 61 A 7.81 4.01 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 62 V 7.96 3.70 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 1.04 0.00 0.00 1.04 0.00 0.00 63 V 8.21 3.85 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 0.80 0.00 0.00 1.01 0.00 0.00 64 G 8.40 3.65 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 0.00 0.00 0.00 65 A 7.69 4.16 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 L 7.83 4.57 0.00 1.79 1.78 0.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.30 4.29 0.00 2.98 2.75 0.00 0.00 7.05 7.44 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 68 Y 8.08 3.63 0.00 3.22 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 69 R 7.63 4.65 0.00 2.02 1.82 0.00 3.29 0.00 0.00 3.52 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 70 N 8.53 4.96 0.00 2.72 2.73 0.00 0.00 7.03 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 71 L 8.96 4.32 0.00 1.73 1.80 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.36 4.43 0.00 2.77 2.73 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 73 N 8.05 4.79 0.00 2.85 2.84 0.00 0.00 7.03 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 74 E 8.06 4.31 0.00 2.44 1.84 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 2.59 2.61 0.00 75 P 0.00 4.22 0.00 2.09 2.07 0.00 3.55 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 76 D 7.76 4.16 0.00 1.58 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 0.00 0.00 0.00 77 F 7.90 5.06 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 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 79 G 8.99 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 80 V 7.52 4.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.97 0.00 0.00 81 N 8.45 4.48 0.00 2.66 2.64 0.00 0.00 7.02 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 82 T 8.29 4.34 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 0.98 0.00 0.00 83 S 7.58 4.51 0.00 4.21 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 84 T 8.67 3.60 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 1.25 0.00 0.00 85 E 8.13 3.96 0.00 2.19 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 2.41 2.34 0.00 86 F 8.13 4.03 0.00 3.15 3.20 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 87 L 8.15 3.58 0.00 1.52 1.39 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.89 3.84 1.43 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 0.00 0.00 89 K 7.41 3.24 0.00 0.79 1.31 0.00 0.89 0.00 0.00 1.16 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 0.49 7.81 90 V 7.13 3.33 1.87 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 1.04 0.00 0.00 0.25 0.00 0.00 91 I 7.79 3.67 1.78 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 1.42 0.46 0.88 0.00 0.00 92 A 8.17 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.50 4.33 0.00 2.79 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 94 R 8.08 3.96 0.00 1.88 1.99 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 95 L 8.27 4.05 0.00 1.88 1.83 0.89 1.19 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 96 A 8.27 3.94 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 97 E 8.33 3.91 0.00 2.08 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 2.33 2.39 0.00 98 R 7.99 3.97 0.00 2.11 1.98 0.00 3.22 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 99 V 8.08 3.57 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 1.03 0.00 0.00 1.07 0.00 0.00 100 H 8.23 4.47 0.00 3.18 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.84 4.40 0.00 1.96 1.93 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.45 7.81 102 G 8.13 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 0.00 0.00 0.00 103 A 8.02 4.10 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 0.00 104 L 7.98 4.42 0.00 1.54 1.52 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.93 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 0.00 106 E 8.71 4.07 0.00 1.98 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 2.39 2.32 0.00 107 G 8.09 3.62 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 0.00 0.00 0.00 108 A 7.82 4.16 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 0.00 109 R 7.79 4.15 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 110 G 7.82 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.24 4.26 0.00 1.73 1.80 1.05 0.77 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 0.00 112 A 9.12 4.22 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 0.00 113 G 7.22 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 0.00 0.00 0.00 0.00 114 L 8.32 5.30 0.00 1.46 1.32 0.94 0.87 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 0.00 115 T 8.68 4.98 4.16 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 1.21 0.00 0.00 116 V 8.82 4.78 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 1.02 0.00 0.00 0.85 0.00 0.00 117 T 8.96 5.08 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 1.16 0.00 0.00 118 L 9.06 5.22 0.00 1.42 1.38 0.81 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.38 5.24 0.00 3.10 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.23 4.38 0.00 2.37 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 2.38 2.32 0.00 121 S 7.59 4.67 0.00 4.13 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 0.00 122 H 9.20 4.59 0.00 3.36 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.01 4.56 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 0.51 0.00 0.00 0.90 0.00 0.00 124 A 8.04 4.52 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 0.00 125 W 7.95 5.72 0.00 3.31 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 0.00 126 A 9.11 4.97 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 0.00 127 S 8.52 5.19 0.00 3.92 3.86 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 0.00 0.00 0.00 128 Y 9.12 4.85 0.00 2.94 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 0.00 129 E 8.16 5.03 0.00 1.62 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 130 R 8.67 4.57 0.00 1.78 1.73 0.00 3.10 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 1.53 1.56 0.00 131 A 8.50 4.64 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 0.00 132 L 8.31 4.30 0.00 1.80 1.62 1.05 0.80 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 * Residues marked with a * may have inaccurate shift predictions.