NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2342 8.3444 121.7124 56.0542 31.4195 174.5514 2 V 3.8259 7.0977 120.3091 62.6671 33.0482 174.0963 3 Q 4.5199 9.8694 125.8640 54.7121 34.0166 173.4272 4 L 5.4043 8.5760 123.5612 52.8885 42.8521 173.7560 5 Q 4.3772 9.0099 121.7741 55.4899 30.0600 174.8541 6 Q 5.1058 8.5738 122.5200 53.0295 32.3716 173.7671 7 P 4.2515 0.0000 0.0000 63.0815 32.5185 176.9411 *9 G 4.1058 8.7225 107.8721 45.9699 0.0000 172.1360 10 A 5.3458 7.7541 119.0745 50.3734 22.8777 175.1368 11 E 4.6446 9.3411 118.2518 54.8982 34.0835 174.5643 12 L 5.0717 8.6533 124.4507 53.1702 43.3679 176.0258 13 V 4.5231 8.9018 123.7641 60.9059 35.5504 174.1041 14 R 4.6038 8.3413 125.3248 54.3831 31.7549 173.9255 15 P 4.4751 0.0000 0.0000 64.6154 31.8378 176.7560 16 G 3.8643 9.6122 112.0300 44.9120 0.0000 172.9060 17 A 4.6377 7.6125 121.5661 51.0475 21.7005 176.1332 18 S 5.3207 8.5149 111.4974 57.1103 66.3931 174.4470 19 V 4.4568 8.5124 120.1202 59.8685 34.8577 174.2007 20 K 4.8261 8.6796 124.3557 54.8072 34.0751 174.7338 21 L 4.9010 8.8415 128.6366 53.1165 43.8504 176.0247 22 S 5.1883 8.7650 117.4917 57.2603 65.9813 174.9446 23 C 4.8515 8.6011 121.4905 55.4929 46.7186 171.5459 24 K 4.5923 9.3420 127.9627 55.3148 32.9181 175.2094 25 A 5.3366 8.2821 130.0663 51.2126 20.5486 176.2664 26 S 4.2579 9.0908 113.8804 58.1849 66.5040 175.4055 27 G 3.9010 8.7175 109.8562 45.9755 0.0000 172.3851 *29 Y 4.3957 7.1988 115.7040 56.4975 39.1910 175.0570 30 T 4.0439 8.4258 116.2602 63.0174 67.7524 175.0781 31 F 3.9671 8.6868 130.3619 61.2952 39.2710 176.4441 32 T 3.7081 7.7429 108.0120 62.8309 69.4466 175.2426 33 S 4.2143 7.9493 117.7052 59.4363 63.4365 173.2574 *39 Y 5.2133 7.4148 117.0259 57.4309 38.8148 174.8761 40 W 4.5966 9.2100 123.8204 56.9867 30.3006 175.4149 41 I 4.7217 9.0909 124.4460 59.7524 39.3208 174.5168 42 N 5.5572 9.2197 124.3172 51.3327 41.9734 173.6126 43 W 5.0260 8.7337 120.9618 54.9067 32.3372 174.9087 44 V 4.9671 9.5347 124.1960 60.9970 34.7532 173.8041 45 K 4.7981 9.3770 128.5807 54.7108 34.7946 174.6011 46 Q 4.8713 9.0453 127.8814 54.5299 32.3606 173.5896 47 R 4.8145 8.4760 124.8708 53.8723 32.7351 174.9661 48 P 4.2081 0.0000 0.0000 65.8815 31.6810 177.9022 49 G 3.6663 8.3062 105.2918 48.0484 0.0000 173.2036 50 Q 4.5662 7.4463 117.1827 53.8433 31.2720 174.8646 51 G 3.9727 8.1976 107.1190 45.4573 0.0000 172.9755 52 L 4.7058 8.3344 119.8779 54.0426 43.2329 175.6000 53 E 4.8449 8.9405 121.8704 54.2765 32.9611 174.1228 54 W 4.7647 9.2133 135.0000 57.6685 31.2374 175.6042 55 I 3.4392 8.5367 128.7024 62.1780 38.1358 176.0568 56 G 2.7368 5.9034 105.6498 46.3792 0.0000 170.5020 57 N 5.7863 8.2287 116.5972 51.9460 41.5497 173.2346 58 I 5.2625 9.2589 118.6864 59.8664 42.2561 173.0631 59 Y 4.1052 8.6853 130.4830 55.3623 38.8841 174.0024 60 P 3.9825 0.0000 0.0000 65.8230 32.0017 178.0100 61 S 3.9623 7.3007 113.6871 61.5619 62.6738 175.8754 *65 D 4.9267 7.7897 114.7992 52.2280 40.5374 175.0986 66 S 3.7812 8.2617 113.8867 59.9009 61.1530 171.4480 67 Y 4.3516 7.9667 121.7692 57.8262 39.5801 174.4575 68 T 5.8424 7.6899 115.1273 58.9038 72.3368 172.6358 69 N 5.1543 8.6272 119.7125 51.8137 41.9790 172.9540 70 Y 5.0101 8.5844 120.1095 55.7891 41.6583 174.9647 71 N 4.8724 9.1588 121.4493 53.6279 39.7681 176.3430 72 Q 4.0981 9.0877 124.1549 58.7308 29.1000 177.8814 73 K 4.0094 10.1046 118.5127 58.1839 32.4829 177.1047 74 F 4.7624 8.4601 115.1708 56.3949 40.7235 176.3658 75 K 3.3884 8.4265 122.1992 59.6577 31.7321 177.2780 76 D 4.4169 7.7520 115.3793 55.5288 41.6332 177.6823 77 K 4.0366 7.9603 120.2225 57.9815 32.6399 175.8445 78 A 5.7651 7.7981 118.4314 49.1525 22.2697 175.5686 79 T 4.5968 8.1824 113.2194 60.2046 71.0692 172.3569 80 L 5.4224 9.6788 128.8397 53.2981 44.1314 175.8033 81 T 4.9118 8.6989 112.0265 60.6422 73.0055 172.5495 82 V 5.1587 8.3650 113.7705 59.9828 36.2759 175.6372 83 D 4.8281 9.1104 120.9142 51.6869 40.0464 175.6128 84 K 4.0098 8.7014 122.6878 59.2506 32.7214 179.4235 85 S 4.1871 7.7233 112.3012 60.2031 63.0483 174.9404 86 S 4.4664 8.2270 113.3239 57.0221 63.6427 173.8550 87 S 2.7900 7.1283 115.6944 59.7006 60.7532 171.3009 88 T 4.8838 7.2414 114.5634 61.5937 71.5274 173.3926 89 A 5.1870 8.7725 127.1610 50.5934 22.0055 175.2968 90 Y 5.4083 9.1406 118.1248 56.5698 42.6198 174.4149 91 M 4.8723 8.5075 120.3019 53.9999 36.0564 173.6625 92 Q 5.6042 8.6436 123.9491 53.1466 32.5063 174.4634 93 L 5.6533 8.5370 121.9600 52.0546 45.5036 175.3773 94 S 5.0396 8.1713 115.3040 55.9847 66.8103 172.9667 95 S 3.9248 8.5560 111.9438 57.8270 60.4500 173.3032 96 L 4.3269 7.6649 118.9549 55.5407 42.2880 177.1079 97 T 4.9268 8.7153 111.1642 59.7959 72.3823 174.7160 98 S 4.1363 8.7208 114.9000 61.5763 62.7560 176.3087 99 E 4.1189 7.8482 119.2432 58.4479 29.1811 177.1973 100 D 4.8440 7.9776 117.2507 54.5002 41.4953 176.5938 101 S 4.9419 8.3212 116.7787 58.4306 63.3755 173.5652 102 A 4.2371 8.1782 125.0155 51.8913 22.8953 173.9284 103 V 4.4652 8.2871 118.2927 61.7043 33.5900 174.4513 104 Y 5.1996 8.6481 125.5109 56.2980 40.4615 174.6255 105 F 5.5895 9.6331 123.5168 55.7478 42.6218 171.7939 106 C 4.4853 8.8284 117.1900 53.4995 40.4584 172.6509 107 A 5.0259 8.4931 123.4052 50.5235 22.9723 174.5661 108 R 4.9296 8.7335 115.1891 53.5936 33.6620 174.3392 109 W 4.3647 9.0564 128.5507 58.2678 30.5947 176.4635 *137 G 3.1732 8.4575 113.1648 44.8691 0.0000 171.8560 138 Y 4.6436 7.9336 118.2320 56.2942 41.6073 174.1580 139 W 4.8627 8.8508 124.5778 54.6143 31.6514 176.1102 140 G 4.2207 8.5140 111.0079 44.6608 0.0000 173.9722 141 Q 4.2083 8.6181 117.3963 57.1432 28.9546 178.1702 142 G 3.6438 9.0502 101.7273 45.4976 0.0000 172.5220 143 T 4.9047 8.0229 114.9419 60.2226 72.4742 173.1448 144 L 4.6594 8.8726 129.4113 54.4487 43.3780 175.5311 145 V 4.6025 8.8431 128.2747 62.0915 33.1707 174.6624 146 T 4.7304 9.0188 125.6127 61.7777 71.1658 173.5338 147 V 4.7103 8.5623 128.3451 61.8718 32.1754 175.9963 148 S 4.2769 8.8722 122.8308 58.7796 62.5816 174.0239 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 Q 8.34 4.23 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 2 V 7.10 3.83 0.67 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 0.21 0.00 0.00 0.18 0.00 0.00 3 Q 9.87 4.52 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 4 L 8.58 5.40 0.00 1.60 1.56 0.91 1.02 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 5 Q 9.01 4.38 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 6 Q 8.57 5.11 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 7 P 0.00 4.25 0.00 2.26 2.22 0.00 3.96 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 *9 G 8.72 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 10 A 7.75 5.35 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.34 4.64 0.00 1.85 1.81 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 2.25 2.44 0.00 12 L 8.65 5.07 0.00 1.52 1.60 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.90 4.52 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 1.01 0.00 0.00 0.93 0.00 0.00 14 R 8.34 4.60 0.00 1.93 1.76 0.00 3.25 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 15 P 0.00 4.48 0.00 2.08 2.01 0.00 3.72 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 2.11 0.00 16 G 9.61 3.86 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 0.00 0.00 0.00 17 A 7.61 4.64 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 18 S 8.51 5.32 0.00 3.68 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 19 V 8.51 4.46 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 0.57 0.00 0.00 0.88 0.00 0.00 20 K 8.68 4.83 0.00 1.68 1.69 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 L 8.84 4.90 0.00 1.27 1.62 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.76 5.19 0.00 3.80 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 23 C 8.60 4.85 0.00 3.08 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 24 K 9.34 4.59 0.00 1.75 1.61 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.22 7.81 25 A 8.28 5.34 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 26 S 9.09 4.26 0.00 3.81 3.84 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 27 G 8.72 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 *29 Y 7.20 4.40 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.04 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 1.24 0.00 0.00 31 F 8.69 3.97 0.00 2.60 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.74 3.71 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 1.15 0.00 0.00 33 S 7.95 4.21 0.00 3.77 3.70 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 *39 Y 7.41 5.21 0.00 3.10 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 40 W 9.21 4.60 0.00 3.28 3.31 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 41 I 9.09 4.72 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 1.25 0.82 0.72 0.00 0.00 42 N 9.22 5.56 0.00 2.54 2.91 0.00 0.00 6.41 7.72 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 43 W 8.73 5.03 0.00 3.15 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 44 V 9.53 4.97 2.38 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 1.44 0.00 0.00 0.92 0.00 0.00 45 K 9.38 4.80 0.00 1.80 1.65 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.74 7.81 46 Q 9.05 4.87 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 47 R 8.48 4.81 0.00 1.80 1.80 0.00 3.44 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 48 P 0.00 4.21 0.00 2.05 2.17 0.00 3.69 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 2.05 2.15 0.00 49 G 8.31 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 50 Q 7.45 4.57 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 51 G 8.20 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 0.00 0.00 0.00 52 L 8.33 4.71 0.00 1.79 1.84 0.89 0.90 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 53 E 8.94 4.84 0.00 2.18 1.92 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 2.57 2.47 0.00 54 W 9.21 4.76 0.00 3.35 3.22 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 55 I 8.54 3.44 1.74 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 -0.23 0.09 0.57 0.00 0.00 56 G 5.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.23 5.79 0.00 3.26 3.30 0.00 0.00 6.81 7.46 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 58 I 9.26 5.26 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.81 1.07 0.00 0.00 59 Y 8.69 4.11 0.00 1.43 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 60 P 0.00 3.98 0.00 1.39 1.16 0.00 2.96 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.55 0.00 61 S 7.30 3.96 0.00 3.76 3.85 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 *65 D 7.79 4.93 0.00 2.87 2.87 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 66 S 8.26 3.78 0.00 4.08 4.03 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 0.00 0.00 0.00 0.00 67 Y 7.97 4.35 0.00 3.24 2.87 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 68 T 7.69 5.84 3.62 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 1.24 0.00 0.00 69 N 8.63 5.15 0.00 2.89 3.03 0.00 0.00 6.77 7.48 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 70 Y 8.58 5.01 0.00 2.86 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 71 N 9.16 4.87 0.00 3.15 3.15 0.00 0.00 7.38 6.84 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 72 Q 9.09 4.10 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 73 K 10.10 4.01 0.00 1.67 1.77 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.58 1.12 7.81 74 F 8.46 4.76 0.00 3.08 2.97 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 75 K 8.43 3.39 0.00 1.71 1.80 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.09 7.81 76 D 7.75 4.42 0.00 2.64 2.63 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 77 K 7.96 4.04 0.00 1.77 2.00 0.00 1.64 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.44 7.81 78 A 7.80 5.77 1.15 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 0.00 0.00 0.00 0.00 0.00 79 T 8.18 4.60 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 1.15 0.00 0.00 80 L 9.68 5.42 0.00 1.55 1.60 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.70 4.91 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 1.25 0.00 0.00 82 V 8.36 5.16 2.40 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 0.84 0.00 0.00 1.01 0.00 0.00 83 D 9.11 4.83 0.00 3.03 2.63 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 84 K 8.70 4.01 0.00 1.91 1.94 0.00 1.93 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.60 7.81 85 S 7.72 4.19 0.00 3.80 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 86 S 8.23 4.47 0.00 3.88 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 87 S 7.13 2.79 0.00 3.63 3.22 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 88 T 7.24 4.88 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 0.52 0.00 0.00 89 A 8.77 5.19 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.14 5.41 0.00 2.85 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 91 M 8.51 4.87 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 92 Q 8.64 5.60 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.50 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 93 L 8.54 5.65 0.00 1.41 1.43 0.34 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.17 5.04 0.00 3.77 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 95 S 8.56 3.92 0.00 3.98 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 96 L 7.66 4.33 0.00 1.72 1.61 0.90 0.62 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 97 T 8.72 4.93 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 1.25 0.00 0.00 98 S 8.72 4.14 0.00 4.04 4.20 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 0.00 0.00 0.00 0.00 99 E 7.85 4.12 0.00 2.00 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 2.37 2.31 0.00 100 D 7.98 4.84 0.00 2.87 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 0.00 101 S 8.32 4.94 0.00 3.90 3.86 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 0.00 102 A 8.18 4.24 0.94 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 0.00 103 V 8.29 4.47 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 0.19 0.00 0.00 0.87 0.00 0.00 104 Y 8.65 5.20 0.00 3.09 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 0.00 105 F 9.63 5.59 0.00 3.14 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 0.00 106 C 8.83 4.49 0.00 1.73 1.18 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 0.00 0.00 0.00 0.00 107 A 8.49 5.03 0.07 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 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.73 4.93 0.00 1.88 2.09 0.00 2.67 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.65 0.00 109 W 9.06 4.36 0.00 3.41 3.34 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 *137 G 8.46 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 0.00 0.00 0.00 138 Y 7.93 4.64 0.00 2.79 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 0.00 139 W 8.85 4.86 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 4.22 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 0.00 141 Q 8.62 4.21 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 142 G 9.05 3.64 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 0.00 0.00 0.00 143 T 8.02 4.90 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 1.31 0.00 0.00 144 L 8.87 4.66 0.00 1.78 1.58 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.84 4.60 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 0.96 0.00 0.00 1.00 0.00 0.00 146 T 9.02 4.73 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 0.00 147 V 8.56 4.71 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 0.83 0.00 0.00 1.00 0.00 0.00 148 S 8.87 4.28 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.