NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2408 8.3049 118.1646 54.1631 33.3006 174.9792 2 F 5.0405 7.8671 118.4416 55.5007 41.0622 173.3310 3 N 4.7512 10.3128 123.3791 54.3122 41.7559 174.2854 4 R 4.7579 8.5226 118.2654 54.8879 33.1412 173.7395 5 I 4.7582 8.9773 128.7332 59.9674 39.3722 174.5818 6 M 5.0480 9.2482 127.3771 53.9425 34.7576 174.8300 7 V 5.0568 9.2488 125.7001 59.2479 34.1706 172.4176 8 P 4.9158 0.0000 0.0000 62.6515 31.9188 176.1418 9 V 4.6267 8.9677 117.2450 59.3118 35.4943 175.7445 10 D 4.6814 8.5646 120.6233 52.6864 40.2462 176.6855 11 G 3.9052 8.3916 107.5803 46.0552 0.0000 174.6602 12 S 4.5496 8.1250 115.3393 57.4625 65.7225 175.2934 13 K 4.1361 8.5641 122.0486 59.4753 31.7964 179.8852 14 G 3.6934 8.3308 106.8965 47.1961 0.0000 175.4905 15 A 4.0668 8.0500 122.9581 54.6146 18.3665 179.9512 16 V 3.5147 7.6770 116.6532 66.1576 31.7440 178.4510 17 K 3.9961 8.0456 117.8087 59.2506 31.7845 179.2450 18 A 3.9664 7.9919 121.1502 54.9991 18.3405 179.3280 19 L 3.8889 8.0946 119.0004 58.4475 42.1678 179.0560 20 E 4.0190 8.2513 118.3936 59.4302 29.4049 179.5944 21 K 4.1251 8.1017 118.3331 59.2419 32.0110 179.5988 22 G 3.6328 8.4743 106.5537 47.8427 0.0000 175.8849 23 V 3.7004 8.4183 121.2475 65.5184 31.6200 178.1411 24 G 3.7341 8.1406 105.5065 48.1529 0.0000 175.6570 25 L 4.1486 8.0624 121.5866 57.0796 41.6040 179.3334 26 Q 4.0066 8.3968 120.0209 59.4447 28.8152 178.4812 27 Q 4.0869 8.0557 117.7799 58.7981 28.7784 178.2360 28 L 4.1284 7.7748 120.4156 57.7938 42.3020 178.2702 29 T 4.4463 8.0100 107.2857 60.7215 69.6238 175.1873 30 G 3.8153 8.5896 109.3965 46.3874 0.0000 173.6160 31 A 4.4959 7.8956 120.5656 51.0644 19.7676 177.9509 32 E 4.4504 9.1694 119.1084 56.2476 31.2292 176.1043 33 L 5.2858 9.3166 125.2048 53.7066 44.9950 174.4769 34 Y 5.3693 9.6068 124.7786 56.5247 40.5442 174.6810 35 I 4.9815 9.1789 125.7555 59.4240 40.0445 174.4547 36 L 5.0755 8.5485 128.1751 53.2556 45.4084 174.3530 37 C 5.2079 8.9038 126.1717 56.7020 34.1350 172.3322 38 V 4.8813 8.4511 126.4300 61.3361 32.7291 174.6270 39 F 5.0198 8.6473 122.7636 55.1582 40.8663 175.1708 40 K 4.5813 8.7204 121.2033 55.2819 31.3901 176.0679 41 H 4.2906 8.5847 121.8114 58.1581 29.0831 176.9018 *47 A 4.4012 7.8893 121.5964 51.5981 20.0521 178.8576 48 S 4.8197 7.7900 108.2720 57.9797 63.8014 173.8236 49 L 4.6778 7.6874 120.1247 54.2631 43.2555 177.4522 50 S 4.3500 8.5988 117.1548 60.5265 63.6044 174.2185 51 M 4.7984 7.5980 115.7328 52.6526 34.0705 174.6739 52 A 4.1471 8.4081 123.1973 52.0696 19.2447 177.9162 53 R 4.1132 8.2903 120.1094 55.2795 31.0670 175.3600 54 P 4.3841 0.0000 0.0000 62.3526 32.0584 177.1056 55 E 3.9188 8.8658 122.6698 59.3775 29.7450 177.7443 56 Q 4.0421 8.2412 118.5246 58.8712 29.0851 176.8217 57 L 4.1074 7.5531 118.0701 53.4437 42.2250 174.5598 *60 P 4.2103 0.0000 0.0000 62.2128 32.6603 177.3828 61 D 4.4595 8.6888 123.2565 57.4888 40.7690 178.5469 62 D 4.2861 8.0858 118.9337 57.0077 40.8203 178.4520 63 A 3.9669 7.7415 121.6004 55.2053 18.3611 179.7480 64 L 4.0600 7.8100 117.0794 57.5903 41.6783 179.5457 65 K 2.7569 7.6378 119.5993 59.2333 32.0605 178.5958 66 D 4.2946 8.3201 119.5784 57.4843 40.6881 178.3159 67 Y 4.2348 8.2069 119.7981 60.7129 38.7816 177.7528 68 A 3.7640 8.1220 121.8436 55.3570 18.3523 179.7477 69 T 3.7368 8.1725 114.6102 66.6899 68.5501 176.3542 70 E 3.8941 8.2512 121.2020 59.3830 29.6416 179.0034 71 I 3.5930 7.7120 119.4467 64.2386 37.1078 178.3184 72 A 3.9329 8.0667 121.7187 55.1535 18.1508 179.8767 73 V 3.4653 7.9721 117.0424 66.0724 31.5045 177.9786 74 Q 3.9073 8.1605 119.0963 59.1636 28.8383 178.1750 75 A 3.9500 8.0697 121.7778 54.9104 18.5155 179.4837 76 K 3.8417 8.2000 118.2344 59.9995 32.2800 179.1311 77 T 3.8612 8.1722 116.3133 66.7068 68.3719 176.6554 78 R 3.8930 8.3732 120.6913 59.1943 30.0507 178.2665 79 A 4.0167 8.2306 120.8500 55.6647 18.4484 179.8198 80 T 4.7076 7.7721 114.9775 66.2548 68.2854 176.9782 81 E 4.0289 8.0468 119.9052 59.0818 29.5793 178.5582 82 L 4.3667 7.8329 116.4904 54.5818 42.1171 176.5736 83 G 3.6503 7.2750 106.4140 45.0181 0.0000 174.4415 84 V 3.7972 8.2026 122.5668 61.4531 32.2419 173.6428 85 P 4.5697 0.0000 0.0000 62.6681 31.5529 177.0557 86 A 4.0242 8.7955 125.1217 55.3495 18.3971 179.0905 87 D 4.5809 7.9791 112.7528 54.8342 40.1959 177.1586 88 K 4.3127 8.1074 119.6679 57.0410 32.7306 176.1208 89 V 5.0480 7.3121 118.0667 59.8170 33.3073 175.5526 90 R 4.5477 9.0611 123.5678 54.0612 33.4344 174.2460 91 A 5.1203 8.1822 124.5709 50.3703 21.2441 176.0689 92 F 4.8842 9.5714 119.5592 55.6061 43.5626 174.0994 93 V 5.0310 8.6051 121.2476 61.2242 34.0768 174.7493 94 K 4.8053 9.0957 126.0600 54.6950 36.6888 175.3492 95 G 3.1429 9.6968 110.1651 44.0714 0.0000 174.7654 96 G 3.6889 6.9768 110.4311 45.0211 0.0000 172.8062 97 R 4.1991 8.1306 122.2284 54.7526 31.0701 174.6049 98 P 4.3241 0.0000 0.0000 65.9509 31.4193 178.5548 99 S 4.0879 7.9577 111.8870 61.5849 62.9610 176.3216 100 R 3.8526 7.8765 122.1202 59.2419 29.8701 178.3934 101 T 3.8822 8.6725 116.2487 66.6212 68.3791 176.5640 102 I 3.7034 8.1264 122.1044 64.4672 37.1639 178.6690 103 V 3.5849 7.7925 118.8367 65.9432 31.4173 177.7681 104 R 3.8539 8.5051 118.8289 59.5070 29.7891 178.1033 105 F 3.9118 8.9453 120.5855 61.3108 39.4348 176.8301 106 A 4.0783 8.4042 120.5117 55.1574 18.2105 179.6227 107 R 3.4230 7.9954 117.0447 59.3853 30.0338 178.6084 108 K 3.7235 7.6274 116.7596 59.7786 32.0445 178.4771 109 R 3.8970 7.6602 113.8282 55.8094 30.1954 176.1619 110 E 3.7219 7.5053 116.2442 57.4125 27.4469 174.7904 111 C 4.3881 7.8915 115.4761 59.7020 29.1364 173.9321 112 D 4.9230 8.4607 122.6202 53.1064 40.1369 175.9388 113 L 4.5150 7.4741 121.0201 54.1199 45.8648 173.6912 114 V 4.6849 8.4794 126.2326 61.0830 34.0162 174.1869 115 V 4.7572 8.9443 128.2834 61.2043 33.5176 174.0656 116 I 4.6406 8.8416 128.2874 58.7369 41.6507 174.7519 117 G 3.9646 8.6972 114.4999 46.1377 0.0000 173.6439 118 A 4.2205 9.3601 126.6813 54.2706 18.3551 177.6376 119 Q 5.0642 7.8798 112.6118 54.1898 33.9767 175.3279 120 G 4.3454 7.7807 109.8600 45.6081 0.0000 175.8199 121 T 4.1663 8.8092 115.0664 62.9202 68.8499 174.5781 122 N 4.8691 7.9346 118.1223 52.6463 39.6903 174.9506 123 G 3.6930 7.6309 108.2248 45.3141 0.0000 173.3773 *129 L 4.0577 8.2720 121.6812 53.8345 43.0029 177.3851 130 G 3.8257 8.8318 112.8790 45.3385 0.0000 174.6599 131 S 4.0841 8.6800 116.6771 61.3064 62.9102 177.1272 132 V 3.5616 7.7265 121.0980 65.5526 31.4225 177.6391 133 A 3.9678 7.9399 120.1013 55.1628 18.1251 179.1306 134 Q 3.8988 8.3647 118.2921 59.4949 29.1541 178.8841 135 R 3.9274 7.8116 118.5160 59.1970 30.0524 179.2874 136 V 3.5583 7.9815 117.8657 65.9487 31.3402 177.8433 137 A 4.0705 7.9781 119.5339 55.1693 18.2314 179.5845 138 G 3.6840 7.7816 103.7276 47.1232 0.0000 175.2922 139 S 4.6053 7.8438 113.2654 57.1445 64.3841 174.4825 140 A 4.2324 7.5969 126.5909 52.2002 18.6822 177.5782 141 H 4.3586 8.8883 117.0224 57.4127 29.0591 174.5073 142 C 4.8337 7.2667 113.5262 55.0405 32.7674 171.7834 143 P 4.4166 0.0000 0.0000 62.8453 32.2044 175.8963 144 V 4.6271 8.1941 122.4771 61.0129 33.9028 174.5374 145 L 4.2984 9.0691 131.6565 54.1622 42.9512 175.4801 146 V 4.4722 8.3146 127.5901 61.8322 32.6384 175.8109 147 V 4.0354 8.6551 127.8283 62.9719 31.5650 175.2913 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 8.30 4.24 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.09 0.00 2 F 7.87 5.04 0.00 3.15 3.02 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 3 N 10.31 4.75 0.00 2.61 2.86 0.00 0.00 5.97 8.23 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 4 R 8.52 4.76 0.00 1.71 1.62 0.00 2.96 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.12 0.00 5 I 8.98 4.76 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 0.94 0.55 0.82 0.00 0.00 6 M 9.25 5.05 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 7 V 9.25 5.06 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 1.13 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.92 0.00 2.06 1.96 0.00 3.98 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 9 V 8.97 4.63 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 0.77 0.00 0.00 0.88 0.00 0.00 10 D 8.56 4.68 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 11 G 8.39 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 12 S 8.12 4.55 0.00 4.18 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 K 8.56 4.14 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.52 7.81 14 G 8.33 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.07 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 16 V 7.68 3.51 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 1.02 0.00 0.00 0.98 0.00 0.00 17 K 8.05 4.00 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.60 7.81 18 A 7.99 3.97 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 19 L 8.09 3.89 0.00 1.85 1.86 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.25 4.02 0.00 2.22 1.99 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 2.33 2.49 0.00 21 K 8.10 4.13 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.59 7.81 22 G 8.47 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 0.00 0.00 0.00 23 V 8.42 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 1.01 0.00 0.00 0.98 0.00 0.00 24 G 8.14 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 0.00 0.00 0.00 25 L 8.06 4.15 0.00 1.85 1.78 0.83 0.70 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 26 Q 8.40 4.01 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 27 Q 8.06 4.09 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 28 L 7.77 4.13 0.00 1.88 1.88 0.94 1.01 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 29 T 8.01 4.45 4.42 0.00 0.00 0.00 0.00 0.00 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 30 G 8.59 3.82 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 0.00 0.00 0.00 31 A 7.90 4.50 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 32 E 9.17 4.45 0.00 1.97 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 0.00 2.44 2.33 0.00 33 L 9.32 5.29 0.00 1.77 1.59 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.61 5.37 0.00 3.00 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 35 I 9.18 4.98 1.89 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 1.14 0.88 0.90 0.00 0.00 36 L 8.55 5.08 0.00 0.94 1.07 0.72 0.23 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 37 C 8.90 5.21 0.00 2.95 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 38 V 8.45 4.88 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 0.83 0.00 0.00 0.87 0.00 0.00 39 F 8.65 5.02 0.00 3.23 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 40 K 8.72 4.58 0.00 1.70 1.82 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.42 7.81 41 H 8.58 4.29 0.00 3.47 3.55 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 A 7.89 4.40 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 48 S 7.79 4.82 0.00 3.97 3.94 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 49 L 7.69 4.68 0.00 1.63 1.80 0.92 0.96 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 50 S 8.60 4.35 0.00 3.98 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 51 M 7.60 4.80 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 52 A 8.41 4.15 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 53 R 8.29 4.11 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 P 0.00 4.38 0.00 2.17 1.97 0.00 3.61 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 2.11 2.07 0.00 55 E 8.87 3.92 0.00 1.92 1.99 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 2.30 2.32 0.00 56 Q 8.24 4.04 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 57 L 7.55 4.11 0.00 1.81 1.60 0.92 1.10 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 *60 P 0.00 4.21 0.00 2.20 2.02 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 61 D 8.69 4.46 0.00 2.82 2.84 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 62 D 8.09 4.29 0.00 2.66 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 63 A 7.74 3.97 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 64 L 7.81 4.06 0.00 1.90 1.88 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.64 2.76 0.00 0.92 1.55 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.13 0.76 7.81 66 D 8.32 4.29 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.23 0.00 3.01 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 68 A 8.12 3.76 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 69 T 8.17 3.74 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 1.17 0.00 0.00 70 E 8.25 3.89 0.00 2.11 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 2.42 2.43 0.00 71 I 7.71 3.59 1.79 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.35 0.80 0.00 0.00 72 A 8.07 3.93 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 73 V 7.97 3.47 2.10 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 1.05 0.00 0.00 0.92 0.00 0.00 74 Q 8.16 3.91 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 75 A 8.07 3.95 1.37 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 0.00 0.00 0.00 76 K 8.20 3.84 0.00 1.79 1.95 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 T 8.17 3.86 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 1.20 0.00 0.00 78 R 8.37 3.89 0.00 1.98 2.06 0.00 3.23 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 79 A 8.23 4.02 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 80 T 7.77 4.71 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 1.21 0.00 0.00 81 E 8.05 4.03 0.00 2.13 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 0.00 2.35 2.53 0.00 82 L 7.83 4.37 0.00 1.77 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.27 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 84 V 8.20 3.80 2.18 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 1.03 0.00 0.00 1.06 0.00 0.00 85 P 0.00 4.57 0.00 2.32 1.98 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 86 A 8.80 4.02 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 87 D 7.98 4.58 0.00 2.80 2.81 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 88 K 8.11 4.31 0.00 2.04 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.55 7.81 89 V 7.31 5.05 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 0.80 0.00 0.00 0.95 0.00 0.00 90 R 9.06 4.55 0.00 1.31 1.21 0.00 3.11 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 91 A 8.18 5.12 1.09 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 0.00 0.00 92 F 9.57 4.88 0.00 2.74 2.99 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 93 V 8.61 5.03 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 1.06 0.00 0.00 0.97 0.00 0.00 94 K 9.10 4.81 0.00 1.73 1.62 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 95 G 9.70 3.14 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 0.00 96 G 6.98 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.20 0.00 1.84 1.86 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 98 P 0.00 4.32 0.00 2.13 2.10 0.00 3.58 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 99 S 7.96 4.09 0.00 4.04 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 0.00 100 R 7.88 3.85 0.00 1.94 2.09 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 101 T 8.67 3.88 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 1.22 0.00 0.00 102 I 8.13 3.70 2.06 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 1.34 0.64 0.90 0.00 0.00 103 V 7.79 3.58 2.22 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 1.07 0.00 0.00 0.97 0.00 0.00 104 R 8.51 3.85 0.00 1.98 2.17 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 105 F 8.95 3.91 0.00 3.23 3.14 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 0.00 106 A 8.40 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 3.42 0.00 1.84 2.00 0.00 3.06 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 108 K 7.63 3.72 0.00 1.71 1.65 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.35 7.81 109 R 7.66 3.90 0.00 1.37 1.56 0.00 3.42 0.00 0.00 2.97 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 110 E 7.51 3.72 0.00 2.02 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 2.18 2.17 0.00 111 C 7.89 4.39 0.00 3.00 2.90 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 0.00 112 D 8.46 4.92 0.00 2.80 2.81 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 0.00 113 L 7.47 4.51 0.00 0.90 1.07 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.48 4.68 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 0.68 0.00 0.00 0.92 0.00 0.00 115 V 8.94 4.76 2.03 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 0.89 0.00 0.00 0.80 0.00 0.00 116 I 8.84 4.64 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.57 0.94 0.00 0.00 117 G 8.70 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 0.00 118 A 9.36 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 0.00 119 Q 7.88 5.06 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 120 G 7.78 4.35 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 0.00 121 T 8.81 4.17 4.28 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 1.31 0.00 0.00 122 N 7.93 4.87 0.00 2.71 2.86 0.00 0.00 6.92 7.65 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 0.00 123 G 7.63 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.06 0.00 1.67 1.66 0.92 0.90 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 0.00 130 G 8.83 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 0.00 131 S 8.68 4.08 0.00 4.06 4.14 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 0.00 132 V 7.73 3.56 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 1.02 0.00 0.00 0.92 0.00 0.00 133 A 7.94 3.97 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 0.00 134 Q 8.36 3.90 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 135 R 7.81 3.93 0.00 2.03 1.96 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 136 V 7.98 3.56 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 1.08 0.00 0.00 0.94 0.00 0.00 137 A 7.98 4.07 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 0.00 138 G 7.78 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 0.00 0.00 0.00 139 S 7.84 4.61 0.00 4.04 3.97 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 0.00 140 A 7.60 4.23 1.29 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 0.00 141 H 8.89 4.36 0.00 3.26 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 7.27 4.83 0.00 2.96 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 0.00 143 P 0.00 4.42 0.00 2.14 2.07 0.00 3.79 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 2.30 2.15 0.00 144 V 8.19 4.63 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 0.80 0.00 0.00 0.99 0.00 0.00 145 L 9.07 4.30 0.00 1.66 1.46 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.31 4.47 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 0.80 0.00 0.00 0.92 0.00 0.00 147 V 8.66 4.04 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 0.82 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.