NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3228 8.1593 117.3764 63.4592 70.9203 174.7994 4 S 4.3197 7.6457 115.8706 56.5015 65.4222 173.4089 5 L 3.9189 9.0866 125.4742 57.9250 42.3918 178.4796 6 P 4.2255 0.0000 0.0000 65.7958 31.2023 178.6407 7 S 4.1062 7.9432 113.0784 61.5913 62.5337 176.5797 8 A 3.9954 7.9164 122.2205 55.1946 18.5011 179.5103 9 I 3.8120 8.1378 118.5918 64.6080 37.0129 178.6113 10 L 4.0666 7.8079 118.4206 57.9598 41.5635 179.0169 11 N 4.6115 8.3678 114.6631 54.2874 39.9444 175.2040 12 N 4.8886 7.4557 117.0783 51.6980 38.4257 174.2322 *14 V 4.0751 7.4774 118.2075 62.8724 33.9076 175.9578 15 T 3.8602 7.8761 116.0668 63.3091 68.6714 173.5639 16 A 4.4447 8.6379 130.2656 52.1512 19.4455 175.8261 17 T 5.1241 9.4458 113.3653 59.9064 71.9965 173.1135 18 L 5.3522 9.0749 124.2364 53.0240 46.3526 175.2159 19 I 4.9653 8.7181 122.5256 59.7062 39.4332 174.6231 20 L 5.3200 8.7336 127.3906 52.8482 44.3563 176.5668 21 D 4.7265 8.8894 123.3425 52.3635 40.6974 176.5554 22 D 4.5136 8.5665 117.3308 54.8043 39.5674 176.9294 23 G 3.8124 8.1334 108.1339 45.3341 0.0000 173.9367 24 L 3.6440 8.4399 118.9504 55.1933 39.6837 173.9010 25 A 4.4858 8.1096 122.4159 51.8511 19.1199 177.6550 26 I 4.3961 8.8195 124.3862 61.4260 37.6155 176.7982 27 R 4.4904 9.2510 126.0009 56.6324 32.0223 175.7880 28 Y 4.8617 7.6823 118.6982 56.3475 42.2858 173.0843 29 A 4.9489 7.2446 125.9206 50.2565 22.7342 175.3705 30 N 4.5000 8.4033 118.6354 50.9082 39.7746 174.3786 31 P 4.6005 0.0000 0.0000 65.0699 31.1698 178.7379 32 A 3.9572 8.0210 118.7997 55.0183 18.2551 179.3614 33 A 4.0355 8.2400 118.7511 55.3364 18.2317 179.2172 34 E 4.1550 8.0954 118.4641 59.0368 29.7162 179.8326 35 L 4.0469 8.1490 118.7788 57.6383 41.4613 179.3182 36 L 3.8115 7.8077 119.1469 57.9393 42.1412 178.2786 37 F 4.4979 8.1951 114.2456 56.5403 39.7303 175.5363 38 S 3.8054 7.7900 113.6096 58.8295 60.6441 172.5544 39 Q 4.6157 8.2661 117.0285 53.2469 33.3542 175.4048 40 S 4.4287 8.8225 118.2271 57.7365 65.1147 175.4232 41 A 3.8912 8.6881 124.6629 55.1888 17.9909 179.7847 42 K 3.7662 8.0581 116.7745 59.7360 32.1386 178.2634 43 R 4.1121 7.5555 117.6529 58.9012 30.6101 178.0168 44 I 3.8471 8.0844 113.0630 62.2691 37.9681 176.3757 45 V 3.7566 7.1683 120.2881 63.7607 31.7846 176.0006 46 E 3.8689 9.4109 124.8385 56.6990 28.3319 175.0154 47 Q 4.1521 7.5351 118.3460 55.2661 29.6987 175.7340 48 S 4.4145 8.7988 115.9210 57.7821 63.3335 175.0309 49 L 3.8030 8.7025 128.9748 58.0974 41.8871 179.2354 50 S 4.4796 7.4389 111.2350 59.5847 63.3642 175.3970 51 Q 4.0697 7.7745 120.2858 58.3387 28.7382 177.0767 52 L 4.0816 7.6123 118.6280 56.3114 42.7740 176.5621 53 I 4.6159 7.6715 119.7124 59.5905 39.1817 175.9338 54 Q 4.4318 9.0071 124.7937 57.6963 29.7320 175.6221 55 H 4.9167 7.9321 117.1124 54.8961 33.4236 172.0668 56 A 5.3546 8.3519 125.2262 50.3546 22.5531 175.1074 57 S 4.8089 9.2399 117.3939 56.7696 64.3082 172.8864 58 L 4.8295 8.1575 125.6746 54.9069 43.4411 173.9697 59 D 4.5515 9.1464 120.2717 53.5528 41.5282 177.1732 60 L 4.0410 8.7206 127.0077 57.7487 41.6376 178.9316 61 A 4.0471 8.3705 121.6632 54.4498 17.8152 179.3870 62 L 4.0108 7.8863 116.6779 57.7365 41.7089 179.0034 63 L 4.3449 8.0647 118.0882 55.9548 41.7361 177.6322 64 T 4.4315 7.4770 107.1703 63.5362 70.3344 176.2409 65 Q 4.0102 8.0405 121.6460 57.7855 28.5678 177.0675 66 P 4.7120 0.0000 0.0000 65.1472 31.2027 178.5873 67 L 4.0708 7.6963 116.1619 56.6942 41.5042 178.4161 68 Q 4.4545 7.7699 116.1034 57.5241 30.3318 177.3513 69 S 4.4530 8.7054 113.1376 58.3579 63.6417 175.3133 70 G 3.9238 7.6422 110.0504 45.7196 0.0000 173.3911 71 Q 4.4523 7.6633 118.9954 54.5207 30.0042 175.4088 72 S 4.7777 8.4737 117.9280 58.7505 63.8914 173.5991 73 I 4.6298 8.8473 124.2305 59.7915 40.2921 174.5448 74 T 5.0765 8.6028 122.5574 61.7032 71.4803 172.9567 75 D 4.9088 9.2917 125.7029 52.5266 43.6334 176.1042 76 S 4.4361 8.8783 119.8216 58.9286 64.2304 173.5272 77 D 4.8083 8.2181 119.6593 52.9535 39.5511 174.8011 78 V 4.4092 8.1951 119.7375 61.6988 33.9797 175.8053 79 T 4.7649 8.5792 123.5137 61.8000 71.4287 172.8733 80 F 5.6614 8.9773 125.4842 55.8448 41.7822 174.8329 81 V 4.5053 9.3460 125.1751 61.9470 32.7731 174.7072 82 V 4.6443 8.8070 128.7131 62.0139 34.1404 175.7352 83 D 4.4456 9.8223 129.0282 55.4948 38.2916 172.7254 84 G 4.2069 8.4642 108.8079 45.0004 0.0000 173.5626 85 R 4.6242 7.8072 115.8336 53.0044 31.3642 173.7164 86 P 4.7376 0.0000 0.0000 63.0061 32.2778 175.6953 87 L 4.7282 8.8462 124.7576 53.1584 45.0785 175.2283 *89 L 4.3870 8.2624 117.8058 55.4805 43.4588 175.4755 90 E 4.7830 8.7825 123.1999 54.9605 31.0935 175.4466 91 V 4.7105 8.9516 126.3734 61.3921 35.1475 174.0806 92 T 5.1770 9.0043 123.8493 61.7253 71.8761 173.0503 93 V 4.9773 8.9087 125.5092 61.2941 34.5939 174.4794 94 S 5.1847 9.0977 123.1024 55.8101 67.1394 171.7659 95 P 4.7718 0.0000 0.0000 63.0770 32.2629 175.5868 96 I 4.5294 8.0518 121.2978 60.0437 41.0675 173.6959 97 T 4.6045 8.7292 124.7805 60.6708 68.2543 173.5617 98 W 4.9424 9.2643 135.0000 56.4911 32.9605 175.1345 99 Q 2.8870 8.2133 126.1621 58.2810 24.9469 173.3939 100 R 3.7835 7.5969 108.5295 56.6958 28.8407 176.1874 101 Q 4.5659 7.7342 117.9341 54.0021 31.3179 174.5084 102 L 4.5568 8.2887 126.5921 54.3451 43.3599 175.5343 *104 L 4.2641 8.1467 122.8669 54.6337 43.5473 175.2892 105 L 4.7807 9.1775 126.7813 53.9084 43.6628 175.1211 106 V 4.7797 8.9931 127.6524 61.4287 33.5742 174.6177 107 E 5.5167 9.1427 127.1113 53.7794 33.2635 175.2873 *109 R 4.2546 8.1958 118.2317 55.7045 31.2735 175.7953 110 K 4.2460 8.5680 121.6531 56.5181 32.7456 177.1092 111 I 4.0441 8.1566 115.3271 60.9799 37.6277 175.3092 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 3 T 8.16 4.32 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 4 S 7.65 4.32 0.00 4.13 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 5 L 9.09 3.92 0.00 1.73 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.23 0.00 2.15 2.04 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 7 S 7.94 4.11 0.00 3.99 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 8 A 7.92 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.81 2.02 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 1.52 1.20 0.91 0.00 0.00 10 L 7.81 4.07 0.00 1.90 1.87 1.02 0.94 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 11 N 8.37 4.61 0.00 2.88 2.89 0.00 0.00 6.87 8.05 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 12 N 7.46 4.89 0.00 2.83 2.74 0.00 0.00 6.87 7.09 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 *14 V 7.48 4.08 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 0.79 0.00 0.00 0.93 0.00 0.00 15 T 7.88 3.86 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 1.23 0.00 0.00 16 A 8.64 4.44 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 17 T 9.45 5.12 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 1.27 0.00 0.00 18 L 9.07 5.35 0.00 1.64 1.57 0.81 0.48 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 19 I 8.72 4.97 1.99 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 1.32 0.84 0.95 0.00 0.00 20 L 8.73 5.32 0.00 1.49 1.54 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.89 4.73 0.00 2.92 2.86 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 22 D 8.57 4.51 0.00 2.80 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 23 G 8.13 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 0.00 0.00 0.00 24 L 8.44 3.64 0.00 1.84 1.76 0.90 0.75 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 25 A 8.11 4.49 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 26 I 8.82 4.40 1.93 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.87 0.00 0.00 27 R 9.25 4.49 0.00 1.70 2.04 0.00 3.37 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 28 Y 7.68 4.86 0.00 3.02 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 29 A 7.24 4.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.50 0.00 3.03 3.14 0.00 0.00 6.94 7.70 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 31 P 0.00 4.60 0.00 2.18 2.15 0.00 4.06 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 2.26 2.01 0.00 32 A 8.02 3.96 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 0.00 0.00 33 A 8.24 4.04 1.57 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 34 E 8.10 4.16 0.00 2.28 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 0.00 2.36 2.35 0.00 35 L 8.15 4.05 0.00 1.84 1.69 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.81 3.81 0.00 1.58 1.59 0.73 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.20 4.50 0.00 3.17 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 38 S 7.79 3.81 0.00 4.04 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 39 Q 8.27 4.62 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 40 S 8.82 4.43 0.00 4.03 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 41 A 8.69 3.89 1.25 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 0.00 0.00 42 K 8.06 3.77 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 43 R 7.56 4.11 0.00 1.87 2.09 0.00 3.30 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 44 I 8.08 3.85 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.33 0.94 0.00 0.00 45 V 7.17 3.76 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 0.77 0.00 0.00 0.88 0.00 0.00 46 E 9.41 3.87 0.00 2.12 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 0.00 2.22 2.41 0.00 47 Q 7.54 4.15 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 48 S 8.80 4.41 0.00 3.82 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 49 L 8.70 3.80 0.00 1.77 1.55 0.66 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.44 4.48 0.00 3.93 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 51 Q 7.77 4.07 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 52 L 7.61 4.08 0.00 1.35 1.57 0.70 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.67 4.62 1.68 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.81 0.00 0.00 54 Q 9.01 4.43 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 H 7.93 4.92 0.00 3.18 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.35 5.35 1.36 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 57 S 9.24 4.81 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.16 4.83 0.00 1.69 1.68 1.11 0.88 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 59 D 9.15 4.55 0.00 2.78 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 0.00 0.00 0.00 0.00 60 L 8.72 4.04 0.00 1.74 1.72 0.93 0.85 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 61 A 8.37 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.01 0.00 1.76 1.81 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.06 4.34 0.00 1.74 1.74 0.94 1.15 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 64 T 7.48 4.43 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 65 Q 8.04 4.01 0.00 2.25 2.21 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 2.39 2.56 0.00 66 P 0.00 4.71 0.00 2.17 2.13 0.00 3.83 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 2.29 2.06 0.00 67 L 7.70 4.07 0.00 1.72 1.75 0.99 0.99 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 68 Q 7.77 4.45 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 69 S 8.71 4.45 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 70 G 7.64 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 71 Q 7.66 4.45 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 72 S 8.47 4.78 0.00 3.76 3.80 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 0.00 0.00 0.00 73 I 8.85 4.63 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 1.24 1.32 0.92 0.00 0.00 74 T 8.60 5.08 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 1.20 0.00 0.00 75 D 9.29 4.91 0.00 2.61 2.45 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 76 S 8.88 4.44 0.00 3.99 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 77 D 8.22 4.81 0.00 2.61 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 78 V 8.20 4.41 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 -0.01 0.00 0.00 0.89 0.00 0.00 79 T 8.58 4.76 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 1.26 0.00 0.00 80 F 8.98 5.66 0.00 2.93 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 81 V 9.35 4.51 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 1.01 0.00 0.00 1.02 0.00 0.00 82 V 8.81 4.64 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 1.16 0.00 0.00 1.22 0.00 0.00 83 D 9.82 4.45 0.00 2.80 2.80 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 0.00 0.00 0.00 84 G 8.46 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 0.00 0.00 0.00 0.00 85 R 7.81 4.62 0.00 2.01 2.05 0.00 2.78 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 86 P 0.00 4.74 0.00 2.21 2.14 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 87 L 8.85 4.73 0.00 1.59 1.59 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *89 L 8.26 4.39 0.00 1.31 1.46 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.78 4.78 0.00 1.91 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 2.23 2.37 0.00 91 V 8.95 4.71 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 0.70 0.00 0.00 92 T 9.00 5.18 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 1.28 0.00 0.00 93 V 8.91 4.98 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 1.16 0.00 0.00 1.02 0.00 0.00 94 S 9.10 5.18 0.00 3.76 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 95 P 0.00 4.77 0.00 2.09 2.28 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 96 I 8.05 4.53 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.93 0.00 0.00 97 T 8.73 4.60 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 1.27 0.00 0.00 98 W 9.26 4.94 0.00 3.29 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 99 Q 8.21 2.89 0.00 1.64 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.48 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 100 R 7.60 3.78 0.00 1.81 1.91 0.00 3.08 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 101 Q 7.73 4.57 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 102 L 8.29 4.56 0.00 1.66 1.56 0.95 1.03 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 *104 L 8.15 4.26 0.00 1.70 1.66 0.94 0.50 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 0.00 105 L 9.18 4.78 0.00 1.71 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.99 4.78 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 0.99 0.00 0.00 107 E 9.14 5.52 0.00 1.91 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 2.25 2.12 0.00 *109 R 8.20 4.25 0.00 1.84 1.86 0.00 3.28 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 110 K 8.57 4.25 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 111 I 8.16 4.04 1.84 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 1.19 0.60 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.