NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.3158 8.4449 121.4670 55.4422 31.8482 176.1360 10 L 4.3868 7.8578 117.6439 54.3556 43.5156 170.8937 11 V 4.8545 7.4283 117.9178 61.0630 33.9352 175.2466 12 S 4.5329 8.9613 122.1667 56.9363 64.2921 174.9139 13 A 4.1056 8.6480 125.5277 55.7626 18.0144 178.9760 14 E 4.2610 8.1904 109.0463 56.0392 30.3270 180.3952 15 G 4.0347 8.8680 107.1826 46.9645 0.0000 173.9009 16 R 5.5202 8.2465 119.0065 53.4515 32.1215 174.9760 17 N 4.6212 8.2399 119.1332 53.1927 37.4290 177.0519 18 R 4.1818 9.1724 125.9731 58.5778 30.1180 173.0404 19 K 4.7399 7.7119 114.7929 54.2250 35.7615 176.0752 20 A 4.2162 8.3979 122.8433 52.1041 19.9741 176.4291 21 V 4.7860 8.6488 121.0530 61.0936 33.8264 174.8051 22 L 5.3001 8.7848 126.9679 53.7815 44.7839 175.0371 23 C 4.6261 9.0897 121.6510 59.5617 31.9021 174.5774 24 Q 4.2289 8.7993 123.2898 57.6318 28.9784 177.2915 25 R 4.2311 7.9966 117.5561 57.9978 30.5858 176.6996 26 C 4.6602 7.9271 108.2037 56.9563 30.9627 174.7640 27 G 3.8851 8.4270 108.7628 45.0253 0.0000 173.5141 28 S 4.0727 7.8461 114.9352 58.6431 63.8144 173.2352 29 R 4.3161 8.6599 127.3850 56.5629 30.2076 176.5943 30 V 4.4959 8.9982 128.3142 64.5116 32.9465 175.8653 31 L 5.0489 7.5682 118.2649 53.1558 46.4414 175.8924 32 Q 4.6971 8.0737 119.4112 54.0290 30.5887 173.9631 33 P 4.3482 0.0000 0.0000 64.2358 31.7649 176.6443 34 G 3.8310 9.1037 108.9447 46.4284 0.0000 174.2857 35 T 4.2238 7.3931 106.8538 61.2030 69.8475 173.7056 36 A 4.9918 8.3719 123.8681 50.2633 23.3588 174.4960 37 L 5.4511 8.6559 118.2003 52.8106 44.9102 176.4652 38 F 4.7616 9.4469 126.1994 58.4478 40.2429 174.4942 39 S 4.3764 7.9776 121.9433 56.9796 65.8850 174.8258 40 R 5.0763 8.1562 122.8179 55.0602 29.5982 174.2662 41 R 4.0309 7.3705 119.5410 57.4735 31.2049 175.7162 42 Q 4.6113 8.3973 125.1137 55.6770 29.7223 175.4665 43 L 4.2826 8.6688 123.5936 52.7992 46.2293 175.1310 44 F 4.9320 8.6575 126.2395 57.5047 40.5268 174.4584 45 L 4.5583 8.3172 126.2566 51.9026 44.3816 174.4957 46 P 4.5830 0.0000 0.0000 62.4249 32.0154 176.4913 47 S 4.1713 8.5517 117.6064 58.6741 63.5603 174.1490 48 M 4.2240 8.4650 121.3593 56.5676 32.3786 175.6481 49 R 4.5661 9.2790 121.1198 55.6304 33.5575 174.8813 50 K 4.2029 8.4905 122.6985 54.8887 32.1127 174.3566 51 K 3.7773 8.2403 119.7617 60.4826 31.4954 176.8126 52 P 4.4356 0.0000 0.0000 63.1214 29.2180 174.6521 *61 D 4.5088 8.0246 123.6121 53.5377 41.8639 175.9722 62 G 3.5430 7.9727 110.1426 45.1709 0.0000 171.4639 63 D 4.8134 7.2957 118.2587 52.6460 45.7937 175.3593 64 V 4.4407 8.5273 122.0815 62.0090 32.0271 174.9208 65 L 4.6383 8.8920 129.0414 52.9809 44.3327 176.8165 66 E 5.0890 8.2319 119.5635 54.6992 32.0759 175.0774 67 E 4.4365 7.6759 119.3298 55.4015 33.4522 174.1388 68 H 5.2884 8.6426 121.1900 54.0100 34.3996 172.4135 69 W 5.3332 9.0813 120.3476 55.2708 31.1942 175.1457 70 L 4.6530 9.7031 129.2993 53.9687 43.0829 175.2465 71 V 4.5814 8.9740 129.2746 61.8473 33.7747 177.0351 72 N 4.8872 8.8801 126.1425 54.8573 38.2920 173.6158 73 D 5.3461 7.5445 115.3455 51.3478 43.9767 178.4783 74 M 4.3126 8.3465 120.5448 58.1977 31.5553 179.2392 *75 F 4.2015 7.8752 117.2323 59.2984 38.4649 181.9608 76 I 3.8585 7.3754 119.6017 64.2159 37.0658 177.0131 77 F 4.3645 7.3534 118.4685 57.6700 39.3804 174.9000 78 E 4.2479 9.2879 126.8063 58.9702 30.3334 176.8127 79 N 5.1486 7.8431 115.6836 51.9472 43.2532 173.9779 80 V 4.1803 8.0260 120.0596 60.7684 33.6988 172.2245 81 G 4.2180 8.4238 110.1331 44.5045 0.0000 171.7974 82 F 5.5041 8.5369 117.8690 55.6387 42.7522 175.2483 83 T 4.5014 8.8548 115.5260 60.8507 70.6824 175.1688 84 K 3.9798 8.5203 123.5303 54.1671 31.9667 173.8278 85 D 4.3742 8.9708 126.2691 54.5554 41.2844 176.8657 86 V 4.2749 8.4784 124.5306 59.7147 34.4348 172.5784 87 G 4.1151 9.3625 117.8360 46.6488 0.0000 174.3027 88 N 4.2191 7.7446 114.4009 51.9748 36.4420 175.7237 89 V 4.4851 7.1368 117.6671 61.7774 34.7479 174.5074 90 K 4.7063 8.4163 126.0528 54.5810 35.7497 175.2299 91 F 5.1766 8.8024 123.3222 56.4492 41.1064 175.0712 92 L 4.6216 8.5604 122.4704 54.2113 43.3962 176.2172 93 V 4.8456 8.2577 114.9096 59.4190 37.2501 174.0253 94 C 4.3885 8.6184 122.4648 59.3042 31.6469 174.5947 95 A 4.0052 8.7171 129.2373 55.0725 18.5316 178.3278 96 D 4.5208 8.1477 114.9046 56.8657 41.2597 177.3306 97 C 4.3468 7.9064 111.4057 57.4346 30.8907 174.1689 98 E 4.4837 7.9605 118.2070 56.7080 26.9021 173.1812 99 I 4.3604 7.0602 120.2758 61.1058 38.8349 175.7979 100 G 4.1882 8.3920 111.5363 45.5420 0.0000 170.2084 101 P 5.1315 0.0000 0.0000 62.5015 31.8767 176.8620 102 I 4.3060 8.8155 116.5570 61.2591 39.5381 174.8967 103 G 4.5362 7.6599 108.9715 46.2136 0.0000 171.4782 104 W 5.7462 9.7253 128.5693 56.6241 34.8945 173.6994 105 H 4.6265 7.7667 123.6786 55.1207 33.5271 171.4816 106 C 4.2245 7.5755 126.2231 57.4669 32.3103 173.8797 107 L 3.8131 8.7047 127.6844 58.0311 41.2034 178.8111 108 D 4.3808 8.1664 117.5476 56.5668 41.0256 176.2300 109 D 4.7847 7.7344 120.1873 51.6680 40.0096 176.5549 110 K 3.8182 8.4767 125.1131 59.6414 32.5657 178.0386 111 N 5.9064 7.9046 116.3273 52.1371 39.0818 177.9425 112 S 4.5994 7.7237 116.5525 57.7637 66.1150 173.6620 113 F 5.0693 9.1885 124.1093 55.7572 42.1640 174.1213 114 Y 5.4060 9.6052 121.3925 56.2576 40.9363 174.9014 115 V 5.0388 9.0351 123.5606 60.8353 34.3588 174.4999 116 A 4.5266 8.9480 131.4326 52.0273 18.9653 177.9290 117 L 4.0616 8.8238 123.9670 58.1401 41.9709 179.8705 118 E 4.0367 8.1505 116.2232 59.1111 29.4532 177.8997 119 R 4.3061 7.7713 115.4776 56.6680 30.4544 175.5944 120 V 4.6746 7.6156 110.2145 59.9293 35.7827 174.1701 121 S 4.9851 9.1911 117.0582 57.3664 66.4771 173.2307 122 H 5.7568 8.5021 116.2643 53.5070 32.6000 173.7747 123 E 4.3353 8.5881 120.0994 56.7250 30.1724 175.2613 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 9 E 8.44 4.32 0.00 1.92 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 2.19 2.41 0.00 10 L 7.86 4.39 0.00 1.87 1.97 0.83 0.54 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 11 V 7.43 4.85 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 0.89 0.00 0.00 0.52 0.00 0.00 12 S 8.96 4.53 0.00 4.02 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 13 A 8.65 4.11 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 14 E 8.19 4.26 0.00 2.00 1.85 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 2.20 1.87 0.00 15 G 8.87 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 16 R 8.25 5.52 0.00 1.85 1.92 0.00 3.40 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 17 N 8.24 4.62 0.00 1.60 1.42 0.00 0.00 6.05 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 18 R 9.17 4.18 0.00 1.58 1.89 0.00 3.21 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 19 K 7.71 4.74 0.00 1.63 1.64 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 20 A 8.40 4.22 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 21 V 8.65 4.79 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 1.14 0.00 0.00 0.56 0.00 0.00 22 L 8.78 5.30 0.00 1.77 1.70 0.92 0.88 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 23 C 9.09 4.63 0.00 2.98 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 24 Q 8.80 4.23 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 25 R 8.00 4.23 0.00 1.81 2.01 0.00 3.30 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 26 C 7.93 4.66 0.00 3.02 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 27 G 8.43 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 28 S 7.85 4.07 0.00 3.95 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 29 R 8.66 4.32 0.00 1.98 1.82 0.00 3.33 0.00 0.00 3.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 30 V 9.00 4.50 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 1.55 0.00 0.00 0.94 0.00 0.00 31 L 7.57 5.05 0.00 1.46 1.31 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.07 4.70 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 33 P 0.00 4.35 0.00 2.10 2.05 0.00 3.79 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 1.93 1.92 0.00 34 G 9.10 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 35 T 7.39 4.22 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 1.17 0.00 0.00 36 A 8.37 4.99 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 37 L 8.66 5.45 0.00 1.69 1.66 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.45 4.76 0.00 3.15 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 39 S 7.98 4.38 0.00 3.87 3.61 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 40 R 8.16 5.08 0.00 1.85 1.76 0.00 3.22 0.00 0.00 3.81 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 0.00 41 R 7.37 4.03 0.00 1.84 1.58 0.00 2.95 0.00 0.00 2.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.42 0.00 42 Q 8.40 4.61 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.46 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 43 L 8.67 4.28 0.00 1.13 0.76 -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.66 4.93 0.00 3.00 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 45 L 8.32 4.56 0.00 1.30 1.32 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.58 0.00 1.57 1.90 0.00 2.92 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.17 0.00 47 S 8.55 4.17 0.00 3.78 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 48 M 8.47 4.22 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 49 R 9.28 4.57 0.00 1.78 1.97 0.00 2.71 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 50 K 8.49 4.20 0.00 1.56 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.01 7.81 51 K 8.24 3.78 0.00 2.00 1.82 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.43 7.81 52 P 0.00 4.44 0.00 2.21 2.09 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 *61 D 8.02 4.51 0.00 2.65 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 62 G 7.97 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 0.00 0.00 0.00 63 D 7.30 4.81 0.00 2.39 2.44 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 64 V 8.53 4.44 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 0.78 0.00 0.00 1.10 0.00 0.00 65 L 8.89 4.64 0.00 1.56 1.43 0.87 0.69 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 66 E 8.23 5.09 0.00 1.81 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 0.00 2.22 2.09 0.00 67 E 7.68 4.44 0.00 1.76 1.83 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 2.50 2.33 0.00 68 H 8.64 5.29 0.00 3.12 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 9.08 5.33 0.00 3.37 3.10 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 70 L 9.70 4.65 0.00 1.79 1.55 0.90 0.28 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 71 V 8.97 4.58 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 0.32 0.00 0.00 0.70 0.00 0.00 72 N 8.88 4.89 0.00 2.69 2.80 0.00 0.00 7.24 8.07 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 73 D 7.54 5.35 0.00 2.53 2.48 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 74 M 8.35 4.31 0.00 1.63 2.41 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 *75 F 7.88 4.20 0.00 2.32 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 0.00 0.00 0.00 0.00 76 I 7.38 3.86 1.73 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 1.21 0.85 0.69 0.00 0.00 77 F 7.35 4.36 0.00 3.16 2.88 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 78 E 9.29 4.25 0.00 1.95 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 0.00 2.31 2.34 0.00 79 N 7.84 5.15 0.00 2.92 2.62 0.00 0.00 6.67 7.56 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 80 V 8.03 4.18 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 -0.17 0.00 0.00 -0.00 0.00 0.00 81 G 8.42 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 82 F 8.54 5.50 0.00 2.84 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 83 T 8.85 4.50 4.37 0.00 0.00 0.00 0.00 0.00 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 84 K 8.52 3.98 0.00 1.80 1.66 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 85 D 8.97 4.37 0.00 2.57 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 86 V 8.48 4.27 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 0.71 0.00 0.00 0.93 0.00 0.00 87 G 9.36 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.74 4.22 0.00 3.03 2.92 0.00 0.00 6.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.14 4.49 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 0.01 0.00 0.00 0.74 0.00 0.00 90 K 8.42 4.71 0.00 1.69 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.32 7.81 91 F 8.80 5.18 0.00 3.15 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 92 L 8.56 4.62 0.00 1.58 1.20 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.26 4.85 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 0.72 0.00 0.00 0.88 0.00 0.00 94 C 8.62 4.39 0.00 3.00 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 A 8.72 4.01 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 96 D 8.15 4.52 0.00 2.66 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 97 C 7.91 4.35 0.00 3.08 3.15 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 98 E 7.96 4.48 0.00 2.21 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 2.28 2.26 0.00 99 I 7.06 4.36 1.85 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 1.15 0.83 0.89 0.00 0.00 100 G 8.39 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 0.00 0.00 0.00 0.00 101 P 0.00 5.13 0.00 1.82 1.98 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.62 0.00 102 I 8.82 4.31 1.92 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 1.29 0.82 0.96 0.00 0.00 103 G 7.66 4.54 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 0.00 0.00 0.00 104 W 9.73 5.75 0.00 3.47 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 0.00 105 H 7.77 4.63 0.00 3.38 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 7.58 4.22 0.00 2.53 2.57 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 0.00 107 L 8.70 3.81 0.00 1.39 1.64 0.93 1.10 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 0.00 108 D 8.17 4.38 0.00 2.61 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 0.00 109 D 7.73 4.78 0.00 2.68 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 0.00 110 K 8.48 3.82 0.00 1.75 1.92 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.39 7.81 111 N 7.90 5.91 0.00 2.40 2.75 0.00 0.00 7.13 7.36 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 0.00 112 S 7.72 4.60 0.00 3.64 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 0.00 113 F 9.19 5.07 0.00 3.21 3.35 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 0.00 114 Y 9.61 5.41 0.00 3.12 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 0.00 115 V 9.04 5.04 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 1.37 0.00 0.00 1.35 0.00 0.00 116 A 8.95 4.53 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 0.00 117 L 8.82 4.06 0.00 1.68 1.77 0.06 0.49 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 0.00 118 E 8.15 4.04 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 2.31 2.32 0.00 119 R 7.77 4.31 0.00 1.99 1.98 0.00 3.24 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 120 V 7.62 4.67 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 0.77 0.00 0.00 1.14 0.00 0.00 121 S 9.19 4.99 0.00 3.70 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 0.00 122 H 8.50 5.76 0.00 3.01 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.59 4.34 0.00 1.79 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 2.22 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.