NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2467 8.3344 116.7850 58.5772 65.4702 173.3403 -7 D 5.2018 7.4716 124.5598 52.1805 41.1802 174.7031 -6 P 4.0209 0.0000 0.0000 65.5163 32.2309 177.9141 -5 S 4.8787 8.0721 111.2940 58.9125 63.2273 174.7381 -4 S 4.7352 8.2274 116.1943 58.2564 63.9387 176.0753 -3 I 4.2582 7.7132 122.5706 63.7593 37.3995 177.7137 -2 N 5.0329 7.6298 116.0781 52.4398 39.5334 176.4795 -1 G 3.9836 7.8960 104.1611 44.9921 0.0000 172.1616 -7 G 4.5218 7.4616 112.9598 43.0805 0.0000 173.3031 -6 I 3.7709 9.3028 128.5851 63.3164 38.9309 177.0141 -5 V 4.5287 7.7921 114.7940 62.8125 32.3273 176.4381 -4 V 4.3852 7.9474 119.6943 62.1564 33.0387 177.7753 -3 A 4.4082 7.9532 126.4707 55.1593 17.6996 179.1137 -2 M 4.7729 7.5098 116.9781 54.7398 33.5334 177.5795 -1 T 4.3736 7.7160 108.9611 61.6921 67.8677 171.9616 8 G 3.8969 8.6601 112.9583 44.5495 0.0000 172.4267 9 K 4.0875 8.7145 124.4270 56.2811 31.4580 176.9292 10 D 4.4595 8.6275 127.7617 54.5965 38.5944 173.3271 11 C 4.6975 7.4669 110.1999 57.6854 32.1837 172.4272 12 V 5.0009 7.8868 111.9433 59.8611 35.3947 174.6087 13 A 4.6864 8.4092 123.2892 50.2239 22.1763 175.3694 14 I 5.2549 8.1598 120.0257 59.4107 40.8788 174.0510 15 A 4.9949 8.5360 129.6953 50.6353 22.4567 174.1765 16 C 5.4199 8.2741 112.2428 57.5038 32.5523 173.4177 17 D 4.7279 8.5474 120.2304 52.8886 40.8723 175.7782 18 L 5.1971 8.0345 115.6547 53.6286 43.3577 176.9891 19 R 4.5390 8.0124 119.7498 56.6183 31.2385 176.1355 20 L 4.2560 8.6192 127.2585 54.4834 44.8467 174.1903 21 G 4.3641 8.3509 113.7225 44.4761 0.0000 171.0889 22 S 4.6444 8.9127 113.4164 56.9272 63.9676 174.8891 23 Q 3.4653 8.2511 130.1605 56.7913 27.0578 177.5106 24 S 4.1376 8.7958 121.1520 61.4660 63.3160 173.8534 25 L 4.1439 7.8886 124.3049 53.9260 41.7150 176.0150 26 G 3.9758 8.5764 116.1320 45.4955 0.0000 172.3874 27 V 4.1936 8.4234 122.3418 63.4505 33.7146 175.8477 28 S 4.6741 8.5313 113.8549 56.6326 65.1647 173.4788 29 N 5.2088 8.8529 123.9979 52.8014 37.4462 174.8105 30 K 4.5961 7.9175 114.4786 56.7901 34.7041 176.7320 31 F 4.5354 8.5936 125.1449 57.4375 39.1236 174.4584 32 E 4.2389 8.2110 124.9224 55.6399 30.4639 176.7607 33 K 4.2434 8.3240 120.0956 56.0096 34.1294 175.0574 34 I 4.7511 7.0329 120.8747 59.5536 39.2586 174.8116 35 F 4.9846 9.3391 124.1740 56.1596 44.0619 173.3845 36 H 4.8346 7.4527 112.9851 53.6605 30.8290 172.4916 *38 Y 4.6746 7.7967 117.7022 58.6908 38.9742 175.6489 39 G 3.9186 8.1026 117.1763 47.3257 0.0000 172.9514 40 H 4.6724 8.9760 120.3286 54.9256 28.9109 174.1577 41 V 4.2143 7.4788 121.6954 61.7279 33.0130 174.4810 42 F 4.9905 9.2035 126.9205 55.7740 41.6670 174.5997 43 L 5.2845 9.4513 124.7191 53.4749 45.1725 175.2133 44 G 4.5613 9.5926 113.8712 44.7421 0.0000 172.3913 45 I 5.1637 8.9540 123.7887 59.7498 40.8838 175.1200 46 T 4.4766 8.3537 117.1411 60.0630 71.7950 172.2369 47 G 4.1571 8.7816 104.9851 43.8562 0.0000 173.0492 48 L 4.1128 8.9190 123.8193 55.0632 42.5885 178.3397 49 A 4.1648 10.0112 128.7968 55.9877 18.1010 178.9873 50 T 3.8208 7.9764 110.6890 65.5111 67.4158 175.7980 51 D 4.3886 8.1696 120.3663 56.8109 41.0070 178.6455 52 V 3.6401 7.9261 118.9701 66.3598 31.6022 178.1449 53 T 3.8026 8.2333 115.3560 67.0065 68.3821 176.5947 54 T 3.7390 7.9774 117.5467 66.8157 68.4300 176.6506 55 L 3.3579 8.0928 120.9322 57.4305 41.5243 179.1464 56 N 4.3298 7.7045 118.3425 56.2033 38.8601 176.8947 57 E 3.9791 7.9817 119.9657 59.3183 29.4479 179.0865 58 M 3.7457 7.6891 118.4973 58.5605 32.1753 178.3046 59 F 4.4259 7.8871 117.9112 59.9503 39.0457 177.9455 60 R 3.8800 8.1053 118.8448 59.4393 29.9521 177.7492 61 Y 4.0537 7.9123 119.1407 60.8973 38.7143 178.4430 62 K 4.2965 8.4517 119.6193 59.6635 32.2533 179.5744 63 T 3.9435 8.3481 110.3651 64.4567 68.6855 176.6610 64 N 4.3505 8.3100 119.6102 56.3324 38.6626 177.2763 65 L 3.9786 7.7560 119.8935 57.8866 41.7243 178.8086 66 Y 4.0353 8.3792 119.7186 60.7465 38.6186 178.3235 67 K 4.4975 8.3420 121.7028 59.1202 32.1105 178.7720 68 L 3.9911 7.7175 118.1896 57.4273 41.5369 179.4076 69 K 4.1054 7.8236 117.4570 59.4179 32.4377 179.0761 70 E 3.8750 8.1925 117.3835 56.8173 29.5353 176.7573 71 E 3.8526 8.7317 117.4730 56.7755 27.3287 174.0986 72 R 4.4646 7.3671 110.8697 55.3249 31.8275 173.4610 73 A 4.3855 8.5136 122.4553 51.4076 19.3328 177.6213 74 I 3.6792 8.1745 121.9868 61.1342 38.6734 175.9761 75 E 4.5508 8.3598 125.5213 54.3553 32.3541 175.6676 76 P 4.3592 0.0000 0.0000 66.1712 31.2902 178.8038 77 E 3.9893 8.1864 116.4844 59.8197 29.4541 179.5370 78 T 3.8999 7.8384 115.2025 66.5694 68.6247 176.4440 79 F 4.0506 8.5491 123.0010 61.5132 39.3778 177.1826 80 T 3.6895 8.0642 115.4158 66.7728 68.1629 176.5881 81 Q 3.9428 7.7529 119.9824 58.6976 28.7283 178.4437 82 L 3.8596 7.6886 121.4894 57.8642 42.0085 179.2505 83 V 3.2478 7.4858 118.5792 65.7956 31.3704 177.6763 84 S 4.0785 7.8664 113.0737 61.7095 62.3395 176.4875 85 S 4.1806 8.2524 116.7725 61.5463 62.5126 176.5396 86 S 4.2144 8.0573 118.0945 61.1602 62.7997 176.4274 87 L 4.2351 8.2489 121.9602 58.0895 41.5681 178.8987 88 Y 3.8050 8.2660 119.2774 60.1988 38.4404 177.3171 89 E 4.1452 8.0679 118.8737 57.8012 29.8813 177.0241 90 R 4.4334 7.5898 118.3300 55.6907 31.0281 177.9591 91 R 3.1377 7.0959 120.6345 59.0963 29.7640 177.0260 92 F 4.8058 7.4015 112.6380 56.8425 39.6470 176.9751 93 G 4.1036 7.6783 106.9849 43.7930 0.0000 172.2202 94 P 4.0316 0.0000 0.0000 62.4927 32.4298 175.8958 95 Y 4.2246 7.7820 117.2416 57.7127 38.9229 176.8179 96 F 4.7079 9.0756 125.2031 56.4381 37.5746 174.7218 97 V 5.0677 7.8468 114.0198 59.5959 36.4475 176.0692 98 G 4.1882 8.9182 108.6310 43.6701 0.0000 170.5225 99 P 4.8905 0.0000 0.0000 63.0791 33.0631 175.9142 100 V 4.4557 8.9015 121.6554 61.6386 35.0339 173.6214 101 V 5.0895 8.6211 127.3796 61.2868 33.5320 174.5266 102 A 4.7634 9.4114 128.4706 49.8054 22.8522 175.4596 103 G 4.3876 7.7696 107.5862 46.7119 0.0000 171.7998 104 I 4.6215 8.1173 120.0941 58.9136 39.6577 175.6371 105 N 5.0118 8.8472 122.0122 53.4641 38.7310 174.2590 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.47 5.20 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 P 0.00 4.02 0.00 1.27 1.33 0.00 3.30 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 0.62 1.53 0.00 -5 S 8.07 4.88 0.00 4.08 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 -4 S 8.23 4.74 0.00 3.80 3.81 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 0.00 0.00 0.00 -3 I 7.71 4.26 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.31 0.88 0.00 0.00 -2 N 7.63 5.03 0.00 2.77 2.77 0.00 0.00 7.60 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 -1 G 7.90 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 0.00 0.00 0.00 -7 G 7.46 4.52 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 0.00 0.00 0.00 -6 I 9.30 3.77 1.87 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 1.41 0.69 0.91 0.00 0.00 -5 V 7.79 4.53 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 7.95 4.39 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 0.93 0.00 0.00 0.93 0.00 0.00 -3 A 7.95 4.41 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 -2 M 7.51 4.77 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.72 4.37 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 8 G 8.66 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 0.00 0.00 0.00 9 K 8.71 4.09 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 D 8.63 4.46 0.00 2.84 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 11 C 7.47 4.70 0.00 3.01 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 12 V 7.89 5.00 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 0.73 0.00 0.00 0.89 0.00 0.00 13 A 8.41 4.69 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 14 I 8.16 5.25 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.74 0.00 0.00 15 A 8.54 4.99 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 16 C 8.27 5.42 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.55 4.73 0.00 2.82 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 18 L 8.03 5.20 0.00 1.62 1.80 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.01 4.54 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 L 8.62 4.26 0.00 1.56 1.41 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.35 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 22 S 8.91 4.64 0.00 3.72 3.68 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 0.00 0.00 0.00 0.00 23 Q 8.25 3.47 0.00 2.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.80 4.14 0.00 3.97 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 25 L 7.89 4.14 0.00 1.78 1.75 0.92 0.97 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 26 G 8.58 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 0.00 0.00 0.00 27 V 8.42 4.19 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 0.81 0.00 0.00 0.97 0.00 0.00 28 S 8.53 4.67 0.00 3.82 3.63 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 0.00 0.00 0.00 29 N 8.85 5.21 0.00 2.86 2.87 0.00 0.00 5.93 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 30 K 7.92 4.60 0.00 1.63 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.59 4.54 0.00 3.18 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 32 E 8.21 4.24 0.00 1.60 1.60 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 2.21 2.38 0.00 33 K 8.32 4.24 0.00 1.61 1.97 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.49 7.81 34 I 7.03 4.75 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 1.01 0.00 0.00 35 F 9.34 4.98 0.00 2.74 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 36 H 7.45 4.83 0.00 2.02 1.67 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.80 4.67 0.00 2.70 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 39 G 8.10 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.98 4.67 0.00 3.34 3.40 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.48 4.21 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 0.71 0.00 0.00 0.70 0.00 0.00 42 F 9.20 4.99 0.00 3.20 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 43 L 9.45 5.28 0.00 2.07 1.80 1.17 1.61 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 44 G 9.59 4.56 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 45 I 8.95 5.16 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.05 0.00 0.00 46 T 8.35 4.48 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 1.28 0.00 0.00 47 G 8.78 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 0.00 0.00 0.00 0.00 48 L 8.92 4.11 0.00 1.98 1.77 0.98 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.01 4.16 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 50 T 7.98 3.82 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 1.29 0.00 0.00 51 D 8.17 4.39 0.00 3.07 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 52 V 7.93 3.64 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 1.40 0.00 0.00 1.22 0.00 0.00 53 T 8.23 3.80 4.45 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 1.25 0.00 0.00 54 T 7.98 3.74 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 1.05 0.00 0.00 55 L 8.09 3.36 0.00 1.54 1.53 0.82 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.70 4.33 0.00 1.50 2.35 0.00 0.00 6.91 7.67 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 57 E 7.98 3.98 0.00 2.11 1.95 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 2.30 2.37 0.00 58 M 7.69 3.75 0.00 1.47 1.61 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 59 F 7.89 4.43 0.00 2.90 2.54 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 60 R 8.11 3.88 0.00 2.20 2.14 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 61 Y 7.91 4.05 0.00 3.19 3.01 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 62 K 8.45 4.30 0.00 2.00 1.98 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.66 7.81 63 T 8.35 3.94 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 0.97 0.00 0.00 64 N 8.31 4.35 0.00 2.97 2.87 0.00 0.00 6.88 6.07 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 65 L 7.76 3.98 0.00 1.78 1.76 1.01 0.90 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 66 Y 8.38 4.04 0.00 3.15 3.17 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 0.00 67 K 8.34 4.50 0.00 2.11 2.00 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 68 L 7.72 3.99 0.00 1.85 1.70 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.82 4.11 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 70 E 8.19 3.87 0.00 1.59 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 1.60 1.47 0.00 71 E 8.73 3.85 0.00 2.08 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 2.21 2.36 0.00 72 R 7.37 4.46 0.00 1.99 2.00 0.00 3.03 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 73 A 8.51 4.39 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 74 I 8.17 3.68 1.09 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 1.20 0.21 0.67 0.00 0.00 75 E 8.36 4.55 0.00 2.05 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 2.43 2.39 0.00 76 P 0.00 4.36 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.19 3.99 0.00 2.07 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 2.42 2.48 0.00 78 T 7.84 3.90 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 1.23 0.00 0.00 79 F 8.55 4.05 0.00 3.01 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 80 T 8.06 3.69 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 1.16 0.00 0.00 81 Q 7.75 3.94 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82 L 7.69 3.86 0.00 1.66 1.48 0.97 0.71 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 83 V 7.49 3.25 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 0.86 0.00 0.00 -0.55 0.00 0.00 84 S 7.87 4.08 0.00 3.98 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 85 S 8.25 4.18 0.00 4.11 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 86 S 8.06 4.21 0.00 4.26 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 87 L 8.25 4.24 0.00 1.90 1.75 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.81 0.00 3.14 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 89 E 8.07 4.15 0.00 2.20 2.19 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 2.29 2.34 0.00 90 R 7.59 4.43 0.00 1.71 1.66 0.00 2.98 0.00 0.00 2.86 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.00 91 R 7.10 3.14 0.00 0.67 1.06 0.00 2.62 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.40 4.81 0.00 3.00 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 93 G 7.68 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 0.00 0.00 0.00 94 P 0.00 4.03 0.00 1.82 1.78 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.00 95 Y 7.78 4.22 0.00 2.90 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 96 F 9.08 4.71 0.00 3.08 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 97 V 7.85 5.07 2.24 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 0.80 0.00 0.00 1.01 0.00 0.00 98 G 8.92 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 99 P 0.00 4.89 0.00 1.99 2.08 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 8.90 4.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.98 0.00 0.00 101 V 8.62 5.09 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 1.06 0.00 0.00 1.05 0.00 0.00 102 A 9.41 4.76 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 0.00 103 G 7.77 4.39 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 0.00 104 I 8.12 4.62 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.85 5.01 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.