NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7608 8.1633 120.2780 55.2700 34.1534 173.9803 2 K 4.8820 8.7869 120.5167 53.7624 37.0143 173.3700 3 K 4.8459 9.8571 126.3257 55.1544 34.6681 174.7246 4 I 4.9125 9.0334 128.4374 59.6893 39.6038 174.2461 5 E 5.2997 9.4068 126.9887 54.4566 32.5285 175.0191 6 A 5.0039 8.9338 125.0307 50.1842 22.8921 174.7641 7 I 4.9297 8.5823 123.5432 59.8302 38.9226 175.0352 8 I 4.9285 8.7024 120.5586 58.4329 41.6747 175.3084 9 R 4.3195 8.4243 121.6702 55.7648 30.8986 176.3309 10 P 4.3325 0.0000 0.0000 65.6588 31.1771 178.6898 11 F 4.5140 8.4116 111.2291 58.7419 38.3288 176.5587 12 K 3.8476 7.5546 118.5801 56.6413 31.9042 178.0249 13 L 3.8703 7.6251 122.1122 58.4588 41.9683 178.3018 14 D 4.2920 8.0178 116.9196 57.4630 41.2228 177.7460 15 E 3.9307 8.1188 118.5017 59.5370 29.4377 179.5433 16 V 3.5145 7.8243 118.0544 65.6162 31.5297 177.6689 17 K 3.8006 8.2431 119.8323 59.7721 31.8892 178.4734 18 I 3.6471 7.7620 119.3545 64.4446 36.9630 178.2247 19 A 3.9654 7.8973 121.3576 55.1215 18.1420 179.7057 20 L 3.9246 8.0277 117.3820 57.9622 41.7133 179.7896 21 V 3.8346 7.8941 119.7263 65.6627 31.2704 177.7820 22 N 4.4143 8.3152 114.1765 55.2152 38.4000 176.1451 23 A 4.5212 7.4169 120.9345 51.3774 19.0857 177.3373 24 G 3.7785 8.0217 105.8676 46.4490 0.0000 173.7715 25 I 4.2056 7.8297 121.2376 60.3708 37.9440 177.0265 26 V 4.3582 7.9139 120.2741 60.0449 32.5959 176.1205 27 G 4.0514 7.9479 104.5604 44.9960 0.0000 172.8465 28 M 4.9001 8.2104 119.9915 54.7626 34.2211 173.9389 29 T 4.7256 8.7665 116.0861 61.8435 72.3360 173.3280 30 V 5.1210 8.4060 124.8915 61.4281 34.9125 174.2586 31 S 4.6950 8.9238 119.3721 57.2844 66.8821 172.2413 32 E 4.8786 8.6313 121.6418 55.5217 30.7980 175.2317 33 V 4.6850 8.8650 118.6677 60.0783 36.9321 173.9379 34 R 5.1855 8.6919 119.3102 54.7493 33.0109 175.9007 35 G 4.5694 9.5510 109.4579 44.6267 0.0000 171.1492 36 F 5.3592 8.7689 115.2533 53.4525 41.4386 176.7257 37 G 4.2881 9.6581 108.3850 45.8380 0.0000 173.1628 38 R 4.0486 8.6614 125.6603 56.6986 28.3689 176.2945 *53 V 3.6384 7.3897 115.2284 61.3440 32.3116 174.0661 54 E 4.6566 8.0014 119.3852 55.2411 33.3120 173.7204 55 F 5.0749 8.8288 117.9910 55.9744 40.7167 175.6372 56 L 4.7786 9.0634 124.5558 52.9011 44.1094 175.9354 57 Q 4.6086 8.6648 123.7651 56.5016 29.6282 175.3197 58 K 4.8639 9.2855 124.5721 54.8983 37.4949 174.8182 59 L 5.1234 8.7798 121.2159 52.9406 44.8593 175.5893 60 K 4.9081 9.3928 125.1286 54.9244 34.0670 174.7691 61 L 5.0465 8.9657 128.4950 53.5630 44.0267 175.6397 62 E 5.1887 9.5341 122.0537 54.7516 33.7883 174.8993 63 I 4.8681 8.9680 124.6751 59.8020 41.5955 174.0491 64 V 4.7403 8.5056 127.1184 61.5036 33.1636 174.9971 65 V 4.6609 8.6093 119.7195 59.3550 36.8693 174.7461 66 E 4.4201 8.7764 120.7948 56.2892 30.2667 178.1280 67 D 4.3468 8.9889 121.4519 57.8451 40.9378 179.1191 68 A 4.1879 7.9197 118.9575 53.9402 18.9499 178.1837 69 Q 4.4299 8.0078 114.2183 55.7145 29.2608 177.6253 70 V 3.5641 7.5816 120.4590 66.2565 31.5097 177.3498 71 D 4.3742 8.1215 117.8918 57.7905 40.6672 178.8477 72 T 3.8301 7.8703 115.4928 66.6539 68.5234 176.6350 73 V 3.5470 7.6598 119.6591 65.9675 31.5913 177.8275 74 I 3.6290 7.7797 119.5066 64.6376 37.0204 177.6696 75 D 4.4094 8.2265 119.6398 57.7509 40.6704 179.6200 76 K 3.9852 8.0322 118.4097 59.3751 31.9534 179.5727 77 I 3.6291 7.7478 120.0554 64.3699 36.9552 178.5222 78 V 3.5098 7.8194 118.7524 66.0908 31.0930 177.9601 79 A 3.9592 7.8854 118.9326 55.0649 18.2917 179.1893 80 A 4.0075 8.2455 118.6004 54.5384 18.6165 178.8773 81 A 4.2321 7.9799 117.2869 51.7504 20.1540 177.6661 82 R 4.1540 7.2077 118.1567 56.5731 30.6200 176.2387 83 T 4.4870 9.5738 112.8410 60.4906 70.2402 175.1777 84 G 3.9577 8.8398 109.6308 45.1662 0.0000 172.9323 85 E 4.5496 8.1177 119.8449 54.3080 31.0777 175.6594 86 I 3.6683 8.2358 122.2663 63.7319 37.4795 176.1505 87 G 4.1284 8.9891 112.4640 45.5445 0.0000 174.2125 88 D 4.3252 7.4258 120.6840 55.6209 41.0344 174.9497 89 G 4.2266 8.1188 101.9206 44.6699 0.0000 172.4646 90 K 4.5240 8.2229 115.6241 54.8064 36.7646 175.4539 91 I 4.6405 7.8563 122.7656 59.4286 39.9225 174.9465 92 F 5.0079 9.3582 124.9538 55.5871 42.3310 174.2039 93 V 5.0221 8.6394 122.8016 61.1459 33.5434 174.6568 94 S 4.9716 9.1707 122.1451 55.6651 66.7743 171.4917 95 P 4.7400 0.0000 0.0000 62.7827 32.2412 175.4357 96 V 4.3050 8.0760 122.6628 61.2876 32.6431 175.3569 97 D 4.5034 8.9444 128.2715 57.1663 41.1052 176.8109 98 Q 4.6994 7.6408 117.7352 55.0313 32.1717 173.0023 99 T 4.7350 9.3662 121.8725 61.7837 71.8817 172.9484 100 I 4.9745 8.2942 126.0169 59.3937 40.6595 174.8392 101 R 4.1932 8.8505 127.9743 55.4847 29.4932 177.2455 102 I 3.6982 8.5956 127.9717 64.4459 37.5166 178.4305 103 R 4.1337 8.0320 119.5834 58.5508 30.0712 176.7847 104 T 4.4214 7.1469 101.9957 60.0069 70.1953 174.9806 105 G 3.9024 8.5710 109.8973 45.7322 0.0000 173.7579 106 E 4.1865 7.7171 119.6020 56.0019 30.0842 175.9167 107 K 5.0857 7.8652 120.7305 55.5789 37.2457 177.8197 108 N 3.9349 9.3575 122.8582 54.0710 38.1945 176.1007 109 A 4.6266 9.1292 126.1763 56.2040 18.5572 179.0698 110 D 4.5271 7.9114 111.5287 54.5076 41.7091 176.2886 111 A 4.2220 7.7573 126.3973 53.0561 18.5944 177.4036 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 M 8.16 4.76 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 2 K 8.79 4.88 0.00 1.62 1.71 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.60 7.81 3 K 9.86 4.85 0.00 1.82 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 9.03 4.91 1.96 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 1.23 0.68 0.90 0.00 0.00 5 E 9.41 5.30 0.00 2.10 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 2.27 2.30 0.00 6 A 8.93 5.00 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.58 4.93 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.96 0.00 0.00 8 I 8.70 4.93 1.81 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 1.21 0.78 0.86 0.00 0.00 9 R 8.42 4.32 0.00 1.86 2.14 0.00 3.26 0.00 0.00 3.69 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 10 P 0.00 4.33 0.00 2.25 2.16 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 11 F 8.41 4.51 0.00 3.19 3.09 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 12 K 7.55 3.85 0.00 1.71 1.64 0.00 1.71 0.00 0.00 0.86 0.00 0.00 2.18 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.47 1.36 7.81 13 L 7.63 3.87 0.00 1.78 1.68 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.02 4.29 0.00 2.83 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 15 E 8.12 3.93 0.00 2.10 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 2.37 2.30 0.00 16 V 7.82 3.51 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 0.95 0.00 0.00 0.96 0.00 0.00 17 K 8.24 3.80 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 18 I 7.76 3.65 1.99 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 1.45 0.49 0.90 0.00 0.00 19 A 7.90 3.97 1.35 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 0.00 0.00 20 L 8.03 3.92 0.00 1.83 1.71 0.90 0.66 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 21 V 7.89 3.83 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 1.24 0.00 0.00 0.98 0.00 0.00 22 N 8.32 4.41 0.00 2.77 2.86 0.00 0.00 7.01 7.86 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 23 A 7.42 4.52 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 24 G 8.02 3.78 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 0.00 0.00 0.00 25 I 7.83 4.21 1.99 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 1.29 1.41 0.91 0.00 0.00 26 V 7.91 4.36 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 7.95 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 28 M 8.21 4.90 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 29 T 8.77 4.73 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 1.22 0.00 0.00 30 V 8.41 5.12 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.92 4.69 0.00 3.90 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 32 E 8.63 4.88 0.00 2.01 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 2.26 2.36 0.00 33 V 8.86 4.69 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 0.69 0.00 0.00 1.04 0.00 0.00 34 R 8.69 5.19 0.00 1.68 2.03 0.00 3.43 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 35 G 9.55 4.57 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 0.00 0.00 0.00 36 F 8.77 5.36 0.00 2.68 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 37 G 9.66 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.05 0.00 2.03 2.10 0.00 3.27 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 *53 V 7.39 3.64 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 0.49 0.00 0.00 -0.31 0.00 0.00 54 E 8.00 4.66 0.00 1.98 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 2.17 2.32 0.00 55 F 8.83 5.07 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 56 L 9.06 4.78 0.00 1.63 1.63 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.66 4.61 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 58 K 9.29 4.86 0.00 1.70 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.61 7.81 59 L 8.78 5.12 0.00 1.58 1.54 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.39 4.91 0.00 1.82 1.69 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 L 8.97 5.05 0.00 1.78 1.55 0.91 0.56 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 62 E 9.53 5.19 0.00 1.82 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 0.00 2.33 2.28 0.00 63 I 8.97 4.87 1.87 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 1.11 0.71 0.94 0.00 0.00 64 V 8.51 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 65 V 8.61 4.66 2.21 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 0.76 0.00 0.00 0.93 0.00 0.00 66 E 8.78 4.42 0.00 2.08 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 0.00 2.33 2.42 0.00 67 D 8.99 4.35 0.00 2.78 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 68 A 7.92 4.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 4.43 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 70 V 7.58 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 71 D 8.12 4.37 0.00 2.72 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 72 T 7.87 3.83 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 1.20 0.00 0.00 73 V 7.66 3.55 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 1.02 0.00 0.00 0.96 0.00 0.00 74 I 7.78 3.63 1.98 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 1.49 0.74 0.88 0.00 0.00 75 D 8.23 4.41 0.00 2.86 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 76 K 8.03 3.99 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.78 7.81 77 I 7.75 3.63 1.83 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 1.37 0.83 0.85 0.00 0.00 78 V 7.82 3.51 2.16 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 0.98 0.00 0.00 0.94 0.00 0.00 79 A 7.89 3.96 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 80 A 8.25 4.01 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 81 A 7.98 4.23 1.23 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 0.00 0.00 82 R 7.21 4.15 0.00 1.93 1.82 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 83 T 9.57 4.49 4.34 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 1.37 0.00 0.00 84 G 8.84 3.96 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 0.00 0.00 0.00 85 E 8.12 4.55 0.00 2.07 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 2.28 2.29 0.00 86 I 8.24 3.67 1.88 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 1.36 0.74 0.93 0.00 0.00 87 G 8.99 4.13 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 0.00 0.00 0.00 88 D 7.43 4.33 0.00 2.65 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 89 G 8.12 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 0.00 0.00 0.00 90 K 8.22 4.52 0.00 1.30 0.92 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.39 7.81 91 I 7.86 4.64 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.83 0.00 0.00 92 F 9.36 5.01 0.00 2.91 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 93 V 8.64 5.02 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 9.17 4.97 0.00 3.86 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 95 P 0.00 4.74 0.00 2.10 2.09 0.00 3.72 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 1.98 1.96 0.00 96 V 8.08 4.30 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 0.83 0.00 0.00 0.94 0.00 0.00 97 D 8.94 4.50 0.00 2.71 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 98 Q 7.64 4.70 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 99 T 9.37 4.74 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 0.00 100 I 8.29 4.97 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 1.23 0.48 0.91 0.00 0.00 101 R 8.85 4.19 0.00 1.89 1.80 0.00 3.28 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 I 8.60 3.70 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 1.30 0.68 0.91 0.00 0.00 103 R 8.03 4.13 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.15 4.42 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 1.24 0.00 0.00 105 G 8.57 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 0.00 106 E 7.72 4.19 0.00 1.99 1.88 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 2.33 2.25 0.00 107 K 7.87 5.09 0.00 1.65 1.62 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.53 7.81 108 N 9.36 3.93 0.00 2.88 2.15 0.00 0.00 6.96 7.16 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 0.00 109 A 9.13 4.63 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.53 0.00 2.63 2.68 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 0.00 111 A 7.76 4.22 1.35 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.