NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6583 8.1927 116.7683 58.3127 65.1452 172.5227 3 H 4.5549 9.1116 124.8675 56.7101 30.8612 172.2262 4 T 5.4518 9.9979 123.4158 61.8900 72.7840 172.4103 5 I 4.8181 9.0431 126.5812 59.5293 39.9383 174.2723 6 L 4.9646 9.1358 130.5542 53.9770 43.7850 174.9666 7 L 5.2664 9.0330 127.1517 53.1130 43.9915 175.6435 8 V 4.7544 9.2558 123.9884 61.2473 34.9530 174.3173 9 Q 4.5038 9.1380 128.0707 53.8906 30.4577 173.3674 10 P 4.2446 0.0000 0.0000 65.2720 31.9454 177.5367 11 T 4.4372 7.4594 115.9096 62.3954 71.3913 174.3301 12 K 4.7177 8.1480 117.1142 55.5603 32.5231 174.8949 13 R 4.4201 7.5851 117.0893 56.0338 33.6324 173.2529 14 P 4.1515 0.0000 0.0000 66.2476 31.6187 176.1328 15 E 4.7399 7.8048 115.8241 54.0772 32.3606 175.2370 16 G 4.0258 8.8782 106.3688 46.0323 0.0000 174.0482 17 R 4.4028 7.6809 117.2498 57.0398 29.3913 175.6181 18 T 4.9482 9.0525 118.7674 60.3707 71.5609 171.4689 19 Y 5.9486 8.2464 120.0803 56.1351 41.1356 173.8744 20 A 4.5507 8.6174 120.4390 50.5698 23.0114 174.5592 21 D 5.2104 8.3742 120.1516 53.1541 42.3515 175.6489 22 Y 5.0185 8.7485 119.4488 56.1606 42.2151 176.2123 23 E 4.3983 9.1276 119.1992 57.5851 30.6063 176.4516 24 S 5.3795 7.5835 112.1867 58.4082 65.4570 176.1713 25 V 3.7157 8.7605 121.3082 66.3672 31.4616 177.0700 26 N 4.4522 8.3071 115.3797 56.3294 38.7378 175.9692 27 E 4.2318 7.9832 118.1486 58.8348 30.0374 178.5502 28 C 2.5696 7.7172 115.6474 59.6113 31.1728 174.6802 *30 E 4.2746 8.3699 119.7393 55.8740 30.9561 178.3569 31 G 3.8080 7.8841 106.4099 47.9570 0.0000 175.4977 32 V 3.8304 7.8539 118.7563 66.0188 31.6941 177.6307 33 C 4.4622 8.0906 116.0336 62.5669 28.1251 177.2383 34 K 4.3663 8.3510 120.3780 56.4529 31.5600 178.5966 *36 Y 3.8339 7.8996 121.5908 57.5606 40.6376 176.3730 37 E 3.7415 8.3876 119.5598 59.8124 29.5755 179.4107 38 E 3.8822 8.6581 118.4069 59.6021 29.2205 179.0173 39 H 4.0964 7.7597 117.1162 59.0764 30.0269 176.8261 40 L 3.7950 7.2359 119.9657 57.5591 41.4751 179.2285 41 K 4.0615 7.8192 117.3424 59.4939 32.0633 179.5495 42 R 3.8146 7.3388 113.3242 57.4185 31.1790 177.0789 *44 N 4.4812 7.8604 114.6513 52.3160 39.1756 172.5043 45 P 4.0618 0.0000 0.0000 66.4080 31.9803 178.2844 46 N 4.0881 8.0063 115.7703 54.9627 38.8354 177.1012 47 S 3.8138 7.0872 115.6231 58.8227 60.5696 172.6086 48 P 4.1797 0.0000 0.0000 63.8393 31.7961 177.3814 49 S 4.3643 7.1272 114.3424 59.1140 63.1318 174.2865 50 I 4.5695 7.8424 111.4993 61.2717 41.0941 175.2829 51 T 4.0180 7.6824 111.4249 61.7511 69.4004 172.7410 52 Y 4.8927 7.2024 118.5897 55.6520 41.1369 173.8693 53 D 4.7269 8.5574 120.1350 53.1125 42.8838 177.0671 54 I 3.5601 8.4505 125.3331 64.9679 37.1452 178.3580 55 S 3.9892 8.3948 113.4417 61.3264 61.9397 176.4429 56 Q 4.0304 8.4010 121.2383 58.7119 28.4981 178.0124 57 L 2.5351 7.4851 120.7709 58.0112 41.8360 178.8233 58 F 4.5395 7.5539 117.0079 60.9831 38.7383 177.4950 59 D 4.3827 7.8884 117.2312 57.0271 40.3752 178.4012 60 F 4.1492 7.6974 120.5735 61.4408 39.7003 176.8958 61 I 3.7371 7.9675 119.1854 64.6839 36.7641 178.2387 62 D 4.3754 8.1607 118.3325 57.1807 40.6821 177.8309 63 D 4.4210 7.9785 116.9517 54.7374 41.7328 176.4276 64 L 3.9366 7.0384 119.3093 54.7239 42.2912 176.4062 65 A 4.2041 8.7653 126.4747 54.9320 18.3039 177.1194 66 D 4.7417 8.8968 113.6986 53.2890 45.5230 173.6129 67 L 5.0049 8.2854 123.2250 54.3633 45.0035 174.0248 68 S 5.0270 8.8273 119.6680 57.5682 67.0358 172.6843 69 C 5.4617 9.2773 114.7586 56.5859 33.6638 172.6409 70 L 5.1774 9.0662 120.2598 53.0441 44.3422 175.5205 71 V 4.9882 8.7863 124.4582 60.9637 34.2552 174.0974 72 Y 4.1495 9.0184 129.8983 57.6238 40.1456 174.4004 73 R 4.5941 7.9255 125.7174 53.9796 32.1640 176.7688 74 A 3.9817 8.5885 125.7451 53.0765 18.4097 177.0432 75 D 4.6335 7.6509 116.2517 54.1547 40.6327 177.2814 76 T 4.3508 7.3225 105.8670 60.0826 70.1063 173.2211 77 Q 3.2495 7.8461 119.9001 56.0575 26.8875 171.8652 78 T 4.7863 6.6368 105.8742 60.6009 73.6580 172.7388 79 Y 5.0450 8.4878 118.6630 56.2635 39.9397 175.5332 80 Q 4.1731 9.4935 127.8414 54.7001 30.2987 172.7824 81 P 4.9565 0.0000 0.0000 62.2141 32.9266 174.8672 82 Y 4.7819 8.9565 119.8267 56.2457 42.3641 175.1690 83 N 5.2042 8.6496 119.8664 51.7654 40.1877 175.6070 84 K 3.9946 8.8369 117.0262 60.1237 31.9573 179.1010 85 D 4.2652 8.1784 118.5343 56.9947 40.7592 178.4802 86 W 4.0318 8.8072 129.0498 60.2778 30.6085 178.1725 87 I 3.6636 8.0732 119.8271 64.4211 36.6289 178.5058 88 K 3.8013 8.1687 119.5461 59.2347 31.6948 178.9754 89 E 3.8163 7.8425 119.4839 59.1654 29.5803 178.7848 90 K 3.5682 7.5123 119.5637 59.4266 32.0228 178.8349 91 I 3.7146 7.9231 120.3199 64.3702 36.8147 177.6405 92 Y 4.3403 8.3874 119.7842 61.0274 38.7468 178.2680 93 V 3.4467 7.7253 117.6957 65.5480 31.9521 177.5399 94 L 4.0242 7.7657 120.2774 57.6348 42.8027 177.9409 95 L 4.6170 8.3859 119.2577 54.1534 39.0623 177.2952 96 R 4.4897 7.2385 114.0814 56.7915 35.3809 177.3775 97 R 4.2679 7.5591 117.7577 55.5425 27.9897 176.3557 98 Q 4.0586 7.4773 121.8193 56.1023 29.4045 174.5281 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 2 S 8.19 4.66 0.00 3.94 4.18 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 3 H 9.11 4.55 0.00 3.37 3.31 0.00 5.80 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 4 T 10.00 5.45 4.45 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 1.47 0.00 0.00 5 I 9.04 4.82 1.71 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.81 0.00 0.00 6 L 9.14 4.96 0.00 2.08 1.83 1.06 0.93 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 7 L 9.03 5.27 0.00 1.64 1.58 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.26 4.75 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 1.05 0.00 0.00 1.03 0.00 0.00 9 Q 9.14 4.50 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 10 P 0.00 4.24 0.00 2.11 2.03 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 11 T 7.46 4.44 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 12 K 8.15 4.72 0.00 1.68 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 13 R 7.59 4.42 0.00 1.75 1.81 0.00 3.25 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 14 P 0.00 4.15 0.00 2.04 2.10 0.00 3.63 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 2.16 0.00 15 E 7.80 4.74 0.00 1.91 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 0.00 2.22 2.34 0.00 16 G 8.88 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 0.00 0.00 0.00 17 R 7.68 4.40 0.00 1.74 1.98 0.00 3.16 0.00 0.00 3.16 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 18 T 9.05 4.95 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 19 Y 8.25 5.95 0.00 3.07 2.85 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 20 A 8.62 4.55 1.06 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 21 D 8.37 5.21 0.00 2.53 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 22 Y 8.75 5.02 0.00 2.93 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 23 E 9.13 4.40 0.00 2.16 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 0.00 2.68 2.38 0.00 24 S 7.58 5.38 0.00 4.05 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 25 V 8.76 3.72 2.20 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 1.07 0.00 0.00 1.16 0.00 0.00 26 N 8.31 4.45 0.00 2.77 2.86 0.00 0.00 6.83 7.66 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 27 E 7.98 4.23 0.00 2.06 2.20 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 2.65 2.33 0.00 28 C 7.72 2.57 0.00 2.98 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 *30 E 8.37 4.27 0.00 2.23 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 2.29 2.59 0.00 31 G 7.88 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 32 V 7.85 3.83 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 1.00 0.00 0.00 1.00 0.00 0.00 33 C 8.09 4.46 0.00 3.30 3.11 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 34 K 8.35 4.37 0.00 2.00 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.78 7.81 *36 Y 7.90 3.83 0.00 2.70 2.88 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 37 E 8.39 3.74 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 2.40 2.57 0.00 38 E 8.66 3.88 0.00 1.92 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 0.00 2.48 2.48 0.00 39 H 7.76 4.10 0.00 3.08 3.02 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.24 3.80 0.00 1.57 1.50 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.82 4.06 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.59 7.81 42 R 7.34 3.81 0.00 1.89 1.93 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 *44 N 7.86 4.48 0.00 2.81 2.81 0.00 0.00 7.03 8.02 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 45 P 0.00 4.06 0.00 2.01 2.07 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.30 0.00 46 N 8.01 4.09 0.00 2.67 2.70 0.00 0.00 6.87 7.57 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 47 S 7.09 3.81 0.00 3.87 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 48 P 0.00 4.18 0.00 2.07 2.08 0.00 3.73 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 2.01 2.20 0.00 49 S 7.13 4.36 0.00 3.91 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 50 I 7.84 4.57 1.87 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 1.45 0.42 0.98 0.00 0.00 51 T 7.68 4.02 4.10 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 1.03 0.00 0.00 52 Y 7.20 4.89 0.00 3.16 3.04 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 0.00 0.00 0.00 53 D 8.56 4.73 0.00 2.71 2.58 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 54 I 8.45 3.56 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.36 0.00 0.00 55 S 8.39 3.99 0.00 3.86 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 56 Q 8.40 4.03 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 57 L 7.49 2.54 0.00 1.26 1.42 0.96 1.00 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 58 F 7.55 4.54 0.00 3.16 2.96 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 59 D 7.89 4.38 0.00 2.89 2.76 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 60 F 7.70 4.15 0.00 2.83 3.12 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 61 I 7.97 3.74 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.91 0.00 0.00 62 D 8.16 4.38 0.00 2.75 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 63 D 7.98 4.42 0.00 2.72 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 64 L 7.04 3.94 0.00 1.65 1.47 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.77 4.20 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 66 D 8.90 4.74 0.00 2.72 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 67 L 8.29 5.00 0.00 1.64 1.50 1.04 0.91 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 68 S 8.83 5.03 0.00 4.09 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 69 C 9.28 5.46 0.00 3.21 3.19 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 0.00 0.00 0.00 70 L 9.07 5.18 0.00 1.48 1.63 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.79 4.99 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 1.09 0.00 0.00 1.11 0.00 0.00 72 Y 9.02 4.15 0.00 2.77 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 73 R 7.93 4.59 0.00 1.40 1.61 0.00 3.22 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 74 A 8.59 3.98 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 75 D 7.65 4.63 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 4.35 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 1.14 0.00 0.00 77 Q 7.85 3.25 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 78 T 6.64 4.79 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 1.27 0.00 0.00 79 Y 8.49 5.04 0.00 2.85 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 80 Q 9.49 4.17 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 1.88 1.35 0.00 81 P 0.00 4.96 0.00 1.96 1.90 0.00 3.47 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 1.72 1.85 0.00 82 Y 8.96 4.78 0.00 2.39 2.39 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 83 N 8.65 5.20 0.00 2.89 3.03 0.00 0.00 6.14 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 84 K 8.84 3.99 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.61 7.81 85 D 8.18 4.27 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.03 0.00 3.45 3.43 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 87 I 8.07 3.66 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.08 0.98 0.00 0.00 88 K 8.17 3.80 0.00 1.32 0.74 0.00 1.10 0.00 0.00 1.41 0.00 0.00 2.36 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.49 7.81 89 E 7.84 3.82 0.00 2.00 1.82 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 2.16 2.18 0.00 90 K 7.51 3.57 0.00 1.00 1.40 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.87 1.19 7.81 91 I 7.92 3.71 2.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 1.05 0.00 0.00 92 Y 8.39 4.34 0.00 3.32 3.29 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 93 V 7.73 3.45 1.96 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 0.75 0.00 0.00 0.91 0.00 0.00 94 L 7.77 4.02 0.00 1.94 1.75 0.88 0.54 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 95 L 8.39 4.62 0.00 1.57 1.59 0.96 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.24 4.49 0.00 1.64 1.70 0.00 2.34 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.45 0.00 97 R 7.56 4.27 0.00 1.80 1.86 0.00 3.07 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 98 Q 7.48 4.06 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.