NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.8827 8.3393 109.7397 45.1923 0.0000 173.7275 8 T 4.3269 8.2596 110.3461 58.1286 70.2048 171.0161 9 P 5.0609 0.0000 0.0000 62.9027 32.8756 177.8059 10 F 4.6666 8.5568 125.2491 56.7119 41.4579 171.8723 11 P 5.1529 0.0000 0.0000 61.5020 32.9683 176.1152 12 S 4.1797 7.6822 110.5919 57.6343 65.7262 174.7413 13 L 4.7373 8.6525 125.5152 53.9867 41.8503 176.6859 14 A 4.3939 8.3666 126.0852 50.2924 19.7771 175.3848 15 P 4.1392 0.0000 0.0000 62.5377 31.7978 175.0233 16 P 4.6581 0.0000 0.0000 63.0566 32.3551 175.2113 17 I 4.7090 8.6684 120.1225 59.6582 41.9553 173.5861 18 M 5.1486 8.6583 126.4620 53.7828 34.0499 174.9621 19 L 4.9470 8.6617 122.8166 52.7592 46.6131 174.7480 20 L 4.7861 8.4112 120.4852 53.9446 44.1799 174.5011 21 V 4.2263 8.4473 121.9797 63.3829 35.1271 175.3160 22 D 4.7480 7.2646 116.2021 52.8535 41.5030 177.0931 23 G 3.8941 8.2105 105.0312 45.3257 0.0000 171.8287 24 K 4.5402 7.2508 119.4414 54.0342 34.2179 175.2807 25 Q 4.3563 8.6027 125.1384 56.2540 30.4143 174.1383 26 Q 4.6812 9.2508 128.1700 54.4826 31.9251 173.6572 27 M 4.5636 8.9119 127.0320 54.4911 33.7631 174.6536 28 V 5.0029 8.5879 126.9840 61.0510 34.5313 174.7404 29 V 5.0220 8.8400 126.8509 60.0430 35.6229 174.5648 30 V 5.0328 8.0835 118.6197 60.5129 35.2102 173.7350 31 C 5.4288 9.5006 123.0600 54.7694 40.6343 172.0667 32 L 4.7665 8.6566 128.5992 53.2915 43.7000 175.1627 33 V 4.5388 8.2076 126.9203 60.6197 33.7044 175.2443 34 L 4.9789 8.5917 123.0125 52.3962 46.0382 175.4447 35 D 4.4132 8.7502 115.2704 55.1976 39.6081 173.1664 36 V 3.8206 7.5711 116.0224 61.3919 32.1545 175.5546 37 A 4.3548 8.4102 129.6560 52.0233 18.8324 176.2287 38 P 2.9700 0.0000 0.0000 60.0372 29.7754 174.1013 39 P 4.5837 0.0000 0.0000 60.5665 33.4435 177.1713 40 G 3.6708 8.4665 110.5017 48.7712 0.0000 175.2871 41 L 4.7050 7.1370 125.4517 52.8898 39.3203 180.4220 42 D 4.4081 7.9115 119.0682 55.1630 41.1203 176.2402 43 S 4.8115 8.4541 115.5611 55.4779 62.6369 171.8402 44 P 4.4034 0.0000 0.0000 63.4987 32.2966 175.3465 45 I 5.4101 8.7751 122.4350 58.4217 39.6132 174.7071 46 W 5.1459 7.9237 123.2509 54.6124 31.5992 174.0922 47 F 5.3486 8.9660 118.3545 55.9416 42.5329 174.3360 48 S 4.8522 9.1363 115.5156 57.2139 66.7033 174.2435 49 A 5.1871 8.8312 127.5248 51.4342 21.2004 176.4765 50 G 3.9427 8.5470 100.9542 48.3277 0.0000 175.6914 51 N 4.6245 7.8643 113.8055 53.6761 38.0973 176.2351 52 G 4.0188 8.1725 107.6045 45.1398 0.0000 174.0951 53 S 4.6122 7.8944 114.0970 57.8814 64.0341 172.7063 54 A 5.1083 8.4319 125.3459 50.6331 21.1285 176.3191 55 L 4.5660 7.8847 118.4368 52.5909 44.0932 176.8886 56 D 4.4154 8.8627 124.2756 54.5078 41.4251 175.3299 57 A 4.9126 8.3734 124.6683 50.1332 22.9475 173.8922 58 F 4.6834 8.6323 118.5006 56.8588 41.9024 175.3652 59 T 4.8598 7.8590 116.1883 61.0192 70.4768 174.1499 60 Y 4.4022 8.9289 119.0397 56.9871 39.0982 175.9494 61 G 4.1400 7.9949 107.9832 43.9969 0.0000 172.0396 62 P 4.7035 0.0000 0.0000 62.9339 32.3025 176.1640 63 S 4.4783 8.9575 118.7597 55.8599 66.8343 171.4262 64 P 3.5131 0.0000 0.0000 62.0213 31.1528 176.3914 65 A 4.1254 8.6023 129.1410 51.6462 18.9531 178.4609 66 T 3.9465 8.3229 109.8246 63.8333 68.9695 174.6538 67 D 4.7378 7.9656 121.1797 53.0417 40.1701 176.1575 68 G 3.8753 7.7467 105.0866 47.8872 0.0000 172.9278 69 T 5.0274 7.3120 107.7282 59.8240 73.4938 173.0166 70 W 5.6808 8.6208 119.9298 55.3672 33.7457 174.9684 71 T 4.9619 8.7172 113.2126 60.1963 71.5885 172.1729 72 N 5.4482 8.5161 125.1705 52.1093 41.1781 173.3044 73 L 5.3125 8.2632 125.4560 53.6762 46.5991 174.8532 74 A 5.2193 8.4636 120.9085 51.6150 23.1971 175.4109 75 H 5.4234 9.3574 118.9511 54.0362 31.9498 173.6302 76 L 4.8763 9.0985 121.0041 53.2981 45.2565 174.9247 77 S 5.3127 8.3668 120.1529 56.5367 65.1954 172.7428 78 L 4.5311 8.6623 124.0312 54.1253 43.8319 172.7253 79 P 4.5626 0.0000 0.0000 62.9462 31.8155 177.5882 80 S 4.4642 8.2286 115.8705 60.1738 63.1755 175.5834 81 E 4.0724 8.2997 121.6247 59.7667 29.5779 178.0277 82 E 4.3273 7.8936 115.5730 56.5080 29.2771 177.9487 83 L 4.2910 7.5916 117.4383 56.1813 41.6046 177.4447 84 A 4.7786 7.9406 120.2766 50.8307 19.2351 177.3658 85 S 4.2783 7.6613 112.7293 59.3570 64.7971 176.1172 86 W 4.8945 7.5712 119.8969 57.9780 29.6415 176.0884 87 E 4.2550 8.0086 116.6121 55.7844 30.3033 175.3263 88 P 4.7070 0.0000 0.0000 62.3753 33.0728 174.8223 89 L 4.8858 8.5873 122.4692 53.5532 44.7370 175.2301 90 V 4.7016 8.4319 123.5576 61.2605 34.9778 173.3025 91 C 4.9174 8.2687 124.9947 55.0853 42.8278 172.1157 92 H 4.5614 7.6382 119.1278 54.5912 33.1111 172.8073 93 T 5.0965 7.5074 113.6642 61.7306 70.8345 173.5397 94 G 4.1059 8.8943 108.0405 44.4087 0.0000 170.6991 95 P 5.3816 0.0000 0.0000 61.8748 32.5947 174.7775 *100 H 4.6734 8.1749 112.1102 55.8371 29.1083 172.7552 101 S 4.8073 8.7868 116.2638 59.1450 64.2611 173.1252 102 R 4.8514 8.6156 120.4667 55.5506 33.8878 173.5302 103 S 4.8486 8.1998 112.5446 58.9810 67.4214 172.5102 104 T 4.6905 7.7119 110.2360 59.9968 71.8802 173.5966 105 Q 4.3184 8.4788 119.9041 54.8202 29.5676 174.8749 106 P 4.5385 0.0000 0.0000 63.2649 32.5330 175.7188 107 M 4.5264 9.2888 126.0421 54.3249 34.3566 175.1435 *108 H 4.4497 8.8595 123.6721 54.8010 27.3999 172.4379 109 L 4.0316 8.3334 128.6749 55.1628 42.2122 178.5312 110 S 4.0817 7.9593 119.4836 58.7240 62.1658 174.3143 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 7 G 8.34 3.88 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 0.00 0.00 0.00 8 T 8.26 4.33 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 1.21 0.00 0.00 9 P 0.00 5.06 0.00 1.97 2.06 0.00 3.73 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 10 F 8.56 4.67 0.00 3.06 2.91 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 11 P 0.00 5.15 0.00 1.67 1.72 0.00 3.52 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 12 S 7.68 4.18 0.00 3.72 3.51 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 0.00 0.00 0.00 0.00 13 L 8.65 4.74 0.00 1.54 1.68 0.93 0.99 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 14 A 8.37 4.39 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 15 P 0.00 4.14 0.00 2.05 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 16 P 0.00 4.66 0.00 1.94 2.01 0.00 3.62 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 2.04 2.10 0.00 17 I 8.67 4.71 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 1.22 1.35 0.93 0.00 0.00 18 M 8.66 5.15 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 19 L 8.66 4.95 0.00 1.56 1.53 0.90 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.41 4.79 0.00 1.58 1.48 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.45 4.23 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 0.85 0.00 0.00 0.92 0.00 0.00 22 D 7.26 4.75 0.00 2.68 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 23 G 8.21 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 24 K 7.25 4.54 0.00 1.94 1.71 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 25 Q 8.60 4.36 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 26 Q 9.25 4.68 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 27 M 8.91 4.56 0.00 2.41 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 28 V 8.59 5.00 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 1.00 0.00 0.00 0.92 0.00 0.00 29 V 8.84 5.02 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 0.61 0.00 0.00 0.93 0.00 0.00 30 V 8.08 5.03 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 0.69 0.00 0.00 1.12 0.00 0.00 31 C 9.50 5.43 0.00 3.25 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 32 L 8.66 4.77 0.00 1.81 1.48 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.21 4.54 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 34 L 8.59 4.98 0.00 1.80 1.71 1.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.75 4.41 0.00 2.79 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 36 V 7.57 3.82 2.41 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 0.92 0.00 0.00 1.06 0.00 0.00 37 A 8.41 4.35 1.17 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 0.00 0.00 38 P 0.00 2.97 0.00 1.61 1.05 0.00 3.47 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 1.90 2.00 0.00 39 P 0.00 4.58 0.00 2.09 1.90 0.00 3.04 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 40 G 8.47 3.67 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 0.00 0.00 0.00 41 L 7.14 4.71 0.00 1.68 0.96 0.92 0.90 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 42 D 7.91 4.41 0.00 2.73 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 43 S 8.45 4.81 0.00 3.78 3.87 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 0.00 0.00 0.00 44 P 0.00 4.40 0.00 2.35 2.27 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.08 0.00 45 I 8.78 5.41 1.84 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 0.90 1.00 0.52 0.00 0.00 46 W 7.92 5.15 0.00 3.35 3.16 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 47 F 8.97 5.35 0.00 2.92 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 48 S 9.14 4.85 0.00 3.87 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 49 A 8.83 5.19 1.53 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 0.00 0.00 50 G 8.55 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 0.00 0.00 0.00 51 N 7.86 4.62 0.00 2.93 2.98 0.00 0.00 7.24 7.53 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 52 G 8.17 4.02 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 0.00 0.00 0.00 53 S 7.89 4.61 0.00 4.05 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 54 A 8.43 5.11 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 55 L 7.88 4.57 0.00 1.41 1.34 0.49 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.86 4.42 0.00 2.65 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 57 A 8.37 4.91 1.40 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 0.00 0.00 0.00 58 F 8.63 4.68 0.00 3.00 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 59 T 7.86 4.86 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 1.19 0.00 0.00 60 Y 8.93 4.40 0.00 2.88 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 61 G 7.99 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 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.37 2.32 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 63 S 8.96 4.48 0.00 3.68 3.59 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 0.00 0.00 0.00 0.00 64 P 0.00 3.51 0.00 1.46 1.17 0.00 3.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 65 A 8.60 4.13 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 66 T 8.32 3.95 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 1.16 0.00 0.00 67 D 7.97 4.74 0.00 2.80 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 68 G 7.75 3.88 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 0.00 0.00 0.00 69 T 7.31 5.03 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 1.33 0.00 0.00 70 W 8.62 5.68 0.00 3.62 3.16 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 71 T 8.72 4.96 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 1.26 0.00 0.00 72 N 8.52 5.45 0.00 3.06 2.75 0.00 0.00 6.19 6.54 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 73 L 8.26 5.31 0.00 1.83 1.63 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.46 5.22 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 75 H 9.36 5.42 0.00 3.41 3.67 0.00 5.21 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 76 L 9.10 4.88 0.00 0.72 0.91 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.37 5.31 0.00 3.89 3.67 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 78 L 8.66 4.53 0.00 1.81 1.62 1.04 0.58 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 79 P 0.00 4.56 0.00 2.27 2.06 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 80 S 8.23 4.46 0.00 3.94 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 81 E 8.30 4.07 0.00 2.07 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 2.41 2.35 0.00 82 E 7.89 4.33 0.00 2.38 1.67 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 2.31 2.36 0.00 83 L 7.59 4.29 0.00 1.76 1.74 0.95 0.75 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 84 A 7.94 4.78 1.17 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 0.00 0.00 85 S 7.66 4.28 0.00 3.16 3.55 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 0.00 0.00 0.00 0.00 86 W 7.57 4.89 0.00 3.41 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 87 E 8.01 4.26 0.00 2.14 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 0.00 2.38 2.30 0.00 88 P 0.00 4.71 0.00 2.00 2.07 0.00 3.68 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 2.05 2.10 0.00 89 L 8.59 4.89 0.00 1.81 1.53 1.01 0.74 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 90 V 8.43 4.70 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 0.95 0.00 0.00 91 C 8.27 4.92 0.00 2.99 2.65 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 92 H 7.64 4.56 0.00 1.40 1.80 0.00 5.66 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 93 T 7.51 5.10 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 1.09 0.00 0.00 94 G 8.89 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 0.00 0.00 0.00 0.00 95 P 0.00 5.38 0.00 2.07 2.13 0.00 3.80 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 *100 H 8.17 4.67 0.00 3.44 3.55 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.79 4.81 0.00 4.54 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 0.00 102 R 8.62 4.85 0.00 1.44 1.79 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 103 S 8.20 4.85 0.00 3.67 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 0.00 104 T 7.71 4.69 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 0.99 0.00 0.00 105 Q 8.48 4.32 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 106 P 0.00 4.54 0.00 1.95 2.01 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 107 M 9.29 4.53 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 *108 H 8.86 4.45 0.00 2.97 2.90 0.00 7.26 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 0.00 109 L 8.33 4.03 0.00 1.67 1.72 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.96 4.08 0.00 3.75 3.66 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 * Residues marked with a * may have inaccurate shift predictions.