NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5272 8.1749 117.3742 63.6673 70.1087 172.8404 2 T 4.6231 9.3759 122.3521 59.9430 71.9406 171.4732 3 I 5.1928 9.2436 120.6578 59.3663 41.4126 174.4401 4 V 4.6596 8.9307 117.0574 59.9756 36.7560 174.3943 5 G 4.5098 8.4514 107.7851 44.9429 0.0000 172.4427 6 V 4.6318 9.1321 124.2775 61.0777 34.9796 174.4523 7 K 4.9597 8.8246 127.1005 55.4964 33.6005 175.8720 8 F 5.0852 8.1780 117.3062 54.5014 41.0874 175.6096 9 N 4.2228 8.9090 118.6586 55.9417 36.8989 174.9607 10 N 4.9153 7.6262 115.9733 51.9686 40.5887 174.6915 11 G 3.5786 6.2545 104.4893 45.4962 0.0000 172.4893 12 V 4.9780 7.8148 119.9272 60.5718 34.3863 174.3590 13 V 4.7690 9.2593 122.3700 59.9826 34.7641 174.2963 14 I 5.1675 8.4379 115.3532 59.2978 40.6002 174.0236 15 A 4.9091 8.6337 124.1505 50.9060 23.1540 174.3451 16 A 5.5883 8.4861 118.8175 52.2642 22.3615 175.7288 17 D 4.7971 8.4937 119.6933 52.3947 41.8096 176.4300 18 T 4.8405 8.1422 106.0375 60.4477 70.4325 172.9064 19 R 4.6436 8.2536 122.4521 55.9557 31.2770 175.4721 20 S 4.9934 9.0960 121.0468 56.7152 65.2654 172.7252 21 T 5.1305 8.4420 115.2003 60.2327 72.5441 173.5193 22 Q 4.1808 9.0526 123.8398 53.9599 30.9428 175.5704 23 G 3.9485 8.7975 119.1618 46.2335 0.0000 170.8608 24 P 4.6591 0.0000 0.0000 62.2637 31.8089 175.0686 25 I 4.2818 7.3841 120.7594 59.7445 38.4957 175.0903 26 V 4.1525 8.2720 124.9242 62.5248 31.7825 175.5428 27 A 4.1308 9.0007 131.7625 54.5014 18.7341 176.9201 28 D 4.8094 7.7587 114.6107 52.5128 43.6916 175.9819 29 K 4.2273 8.7285 124.8539 57.8771 33.1906 176.7253 30 N 5.2665 8.6309 117.5800 52.5602 38.3543 172.8597 31 C 4.6684 8.8539 117.7043 57.5229 32.9579 173.9682 32 A 4.6333 8.3953 120.9753 50.4467 20.0385 176.7269 33 K 4.3408 8.7894 121.0287 56.5607 33.7481 175.8522 34 L 5.0555 7.7318 121.1571 53.6764 43.0729 175.4957 35 H 4.8899 9.5416 121.7397 53.8241 31.9088 173.2762 36 R 3.1244 7.9582 123.3205 55.2081 29.8260 175.9629 37 I 3.8641 8.2240 128.6788 63.3739 37.8282 176.1680 38 S 4.6347 7.2596 112.2432 55.6003 66.2222 172.6689 39 P 4.3341 0.0000 0.0000 65.5169 31.1626 177.9097 40 K 4.7311 8.1688 114.9550 55.9720 32.6552 175.2876 41 I 4.8066 8.0306 120.5295 59.7519 40.0102 174.5596 42 W 5.1260 9.0672 126.6445 54.9999 32.6272 174.8944 43 C 5.2727 9.5275 121.4491 57.8925 34.7350 172.4045 44 A 5.0937 9.3987 128.7052 50.6805 20.4657 176.0540 45 G 4.5649 9.0207 108.9769 44.3459 0.0000 171.7874 46 A 4.8489 9.6754 124.1950 49.7107 22.8445 174.8299 47 G 4.1619 8.9325 102.7435 44.6713 0.0000 175.7782 48 T 4.0250 9.2881 122.4983 63.0802 68.3535 174.7507 49 A 4.0112 9.0074 129.6534 55.5459 18.1957 178.8871 50 A 3.9747 7.9986 118.2935 55.3146 18.4678 179.5258 51 D 4.2268 7.9073 117.2750 57.6818 40.8227 178.8168 52 T 3.8345 8.0032 110.3532 64.6561 68.5767 176.2101 53 E 3.7237 8.0822 121.5596 58.8407 29.6539 178.6143 54 A 3.8805 8.0693 121.1101 55.2241 18.5438 180.0233 55 V 3.4103 7.7240 117.7068 65.1494 31.4109 178.4275 56 T 3.7676 7.5288 113.5818 64.9949 67.1317 176.2008 57 Q 3.9800 8.0575 120.0353 58.2750 28.7814 178.1439 58 L 3.8461 8.0786 121.8050 58.3529 42.2175 179.1859 59 I 3.7780 7.7453 119.8248 64.1806 37.0103 178.6052 60 G 3.6119 7.9261 106.4958 47.8077 0.0000 175.6238 61 S 4.0714 8.4274 115.9081 61.3437 62.3854 176.1190 62 N 4.3938 8.1919 119.0816 56.2439 38.1336 177.5733 63 I 3.6980 8.2071 121.8631 64.0563 37.1658 177.9912 64 E 3.9141 8.2691 120.1899 59.3966 29.5090 178.9183 65 L 4.0399 7.9097 118.9846 58.0086 41.6754 179.0154 66 H 4.1132 8.5343 118.4352 59.2769 29.8294 177.1603 67 S 4.2360 8.5099 115.3276 61.5881 61.9941 176.2312 68 L 4.0425 7.8414 120.4257 57.7813 41.3922 178.6369 69 Y 4.0447 7.9804 119.0581 60.6920 38.9642 177.4451 70 T 4.2286 8.4262 108.0884 61.4032 69.6184 174.5054 71 S 3.8147 8.1252 116.8504 59.7620 60.9344 171.8631 72 R 4.7706 7.6896 115.7293 54.0433 34.1209 175.2596 73 E 4.1837 8.5557 119.2659 55.5673 30.1286 175.6942 74 P 4.4700 0.0000 0.0000 62.7351 32.3402 175.9265 75 R 4.8523 8.1516 119.3832 54.1358 32.8287 177.3285 76 V 3.6085 9.0475 121.9597 66.4425 31.5049 179.0208 77 V 3.6184 7.8257 111.3072 64.2466 31.2014 178.6773 78 S 4.0872 8.1259 115.0542 61.4110 62.7359 176.3228 79 A 3.9437 7.9165 123.0052 55.0110 18.1513 179.2566 80 L 3.8758 8.2138 119.1590 58.3414 42.2041 179.0923 81 Q 3.9489 8.1536 119.4889 59.3774 28.8871 177.9124 82 M 4.0757 8.3097 120.0649 58.3123 31.9071 178.6550 83 L 3.9831 8.0908 119.3575 57.6486 41.8397 179.5038 84 K 3.9564 8.1001 118.6009 60.5107 32.3805 179.0854 85 Q 4.1315 8.2443 119.1276 58.5104 28.5823 178.2855 86 H 4.2086 8.0388 119.5486 59.3714 29.8313 177.1329 87 L 4.0548 8.1554 119.9134 57.9494 41.7832 179.1412 88 F 4.1506 8.7618 120.8622 61.1597 39.1419 176.9648 89 K 3.8897 8.0000 118.2029 59.2383 31.9068 176.9625 90 Y 4.2120 7.7216 115.4075 57.8684 38.6474 175.8580 91 Q 2.8830 7.7677 117.2783 56.9514 25.6391 176.1591 *93 G 3.9599 7.7584 104.8861 45.3918 0.0000 174.7284 94 H 4.1460 9.0745 118.0540 57.3510 28.8841 175.5426 95 I 4.1973 6.9457 120.5246 59.5730 37.1312 177.1311 96 G 4.0616 8.9477 118.4678 46.2609 0.0000 171.2675 97 A 5.0859 7.3067 119.6718 50.2678 22.1007 177.1893 98 Y 4.5134 8.9104 119.6643 56.2886 41.0778 174.6881 99 L 5.3501 8.6825 123.4169 52.8401 45.8712 176.5467 100 I 4.5442 9.1228 122.8871 59.7782 39.4575 174.7569 101 V 4.9052 8.4518 126.8910 59.9783 33.5005 174.9234 102 A 4.7426 9.7715 125.4248 49.9172 23.5332 175.0009 103 G 4.6161 7.6453 106.8548 44.9789 0.0000 172.1375 104 V 4.5606 7.7124 112.9806 59.5812 34.6261 176.1028 105 D 4.2703 8.4100 121.1981 53.8989 39.0014 175.0364 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 T 8.17 4.53 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 1.23 0.00 0.00 2 T 9.38 4.62 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 3 I 9.24 5.19 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 4 V 8.93 4.66 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 0.86 0.00 0.00 0.95 0.00 0.00 5 G 8.45 4.51 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 0.00 0.00 0.00 6 V 9.13 4.63 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 1.10 0.00 0.00 0.96 0.00 0.00 7 K 8.82 4.96 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.36 7.81 8 F 8.18 5.09 0.00 3.21 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 9 N 8.91 4.22 0.00 2.88 3.11 0.00 0.00 5.73 8.04 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 10 N 7.63 4.92 0.00 2.67 2.91 0.00 0.00 6.82 7.98 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 11 G 6.25 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.98 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 0.71 0.00 0.00 1.02 0.00 0.00 13 V 9.26 4.77 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 1.11 0.00 0.00 0.92 0.00 0.00 14 I 8.44 5.17 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.97 0.00 0.00 15 A 8.63 4.91 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.49 5.59 1.21 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 17 D 8.49 4.80 0.00 2.69 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 18 T 8.14 4.84 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 1.22 0.00 0.00 19 R 8.25 4.64 0.00 1.88 2.01 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 9.10 4.99 0.00 3.90 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 21 T 8.44 5.13 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 22 Q 9.05 4.18 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.57 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 23 G 8.80 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 0.00 0.00 0.00 24 P 0.00 4.66 0.00 2.18 2.15 0.00 3.75 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 1.93 1.97 0.00 25 I 7.38 4.28 2.02 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 1.18 0.49 0.91 0.00 0.00 26 V 8.27 4.15 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 0.86 0.00 0.00 0.93 0.00 0.00 27 A 9.00 4.13 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 28 D 7.76 4.81 0.00 2.67 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 29 K 8.73 4.23 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.42 7.81 30 N 8.63 5.27 0.00 2.68 2.68 0.00 0.00 7.14 7.44 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 31 C 8.85 4.67 0.00 3.05 3.26 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 32 A 8.40 4.63 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 33 K 8.79 4.34 0.00 1.74 2.03 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.73 5.06 0.00 1.60 1.88 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.54 4.89 0.00 3.05 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.96 3.12 0.00 0.67 1.15 0.00 3.11 0.00 0.00 2.98 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 37 I 8.22 3.86 1.96 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 1.27 0.58 0.85 0.00 0.00 38 S 7.26 4.63 0.00 3.92 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 39 P 0.00 4.33 0.00 2.12 2.28 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.17 4.73 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 41 I 8.03 4.81 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 1.01 0.00 0.00 42 W 9.07 5.13 0.00 3.31 3.21 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 43 C 9.53 5.27 0.00 2.93 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 44 A 9.40 5.09 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 45 G 9.02 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 46 A 9.68 4.85 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 47 G 8.93 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 T 9.29 4.03 4.38 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 1.22 0.00 0.00 49 A 9.01 4.01 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 50 A 8.00 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.23 0.00 2.93 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 52 T 8.00 3.83 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 1.31 0.00 0.00 53 E 8.08 3.72 0.00 2.21 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 0.00 2.29 2.33 0.00 54 A 8.07 3.88 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 55 V 7.72 3.41 1.98 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 0.77 0.00 0.00 0.82 0.00 0.00 56 T 7.53 3.77 4.43 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 1.12 0.00 0.00 57 Q 8.06 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 58 L 8.08 3.85 0.00 1.72 1.68 0.88 1.10 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 59 I 7.75 3.78 1.80 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 1.40 0.18 0.86 0.00 0.00 60 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.07 0.00 3.89 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 62 N 8.19 4.39 0.00 2.89 2.82 0.00 0.00 7.10 6.75 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 63 I 8.21 3.70 2.04 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 1.56 0.92 0.90 0.00 0.00 64 E 8.27 3.91 0.00 2.03 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 0.00 2.31 2.36 0.00 65 L 7.91 4.04 0.00 1.90 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.53 4.11 0.00 3.24 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.51 4.24 0.00 3.99 4.09 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 68 L 7.84 4.04 0.00 1.86 1.75 0.93 0.66 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 Y 7.98 4.04 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 70 T 8.43 4.23 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 1.19 0.00 0.00 71 S 8.13 3.81 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 72 R 7.69 4.77 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 E 8.56 4.18 0.00 1.98 1.90 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 2.33 2.29 0.00 74 P 0.00 4.47 0.00 2.05 1.99 0.00 3.65 0.00 0.00 3.68 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 75 R 8.15 4.85 0.00 1.84 1.86 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 76 V 9.05 3.61 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 1.14 0.00 0.00 1.06 0.00 0.00 77 V 7.83 3.62 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 0.87 0.00 0.00 0.93 0.00 0.00 78 S 8.13 4.09 0.00 4.03 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 79 A 7.92 3.94 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 80 L 8.21 3.88 0.00 1.83 1.87 0.93 0.78 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 81 Q 8.15 3.95 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.31 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 83 L 8.09 3.98 0.00 1.89 1.71 0.91 0.65 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 84 K 8.10 3.96 0.00 2.01 2.15 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.58 7.81 85 Q 8.24 4.13 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.71 0.00 86 H 8.04 4.21 0.00 3.39 3.53 0.00 5.80 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 87 L 8.16 4.05 0.00 1.68 1.73 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.76 4.15 0.00 3.24 3.24 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 89 K 8.00 3.89 0.00 2.00 1.97 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.37 7.81 90 Y 7.72 4.21 0.00 3.01 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 91 Q 7.77 2.88 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.51 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.76 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 94 H 9.07 4.15 0.00 3.23 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.95 4.20 1.78 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.31 0.84 0.00 0.00 96 G 8.95 4.06 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 0.00 0.00 0.00 97 A 7.31 5.09 1.11 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 98 Y 8.91 4.51 0.00 3.05 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 99 L 8.68 5.35 0.00 1.51 1.66 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.12 4.54 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.96 0.00 0.00 101 V 8.45 4.91 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.77 4.74 1.27 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 0.00 0.00 0.00 103 G 7.65 4.62 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 0.00 0.00 0.00 104 V 7.71 4.56 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.41 4.27 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.