NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4381 8.1749 110.9501 61.3737 69.8936 175.2773 -4 E 5.3407 9.0283 114.2931 57.2568 31.5306 172.9586 -3 F 4.9230 8.9385 122.2662 56.1449 42.9706 174.1697 -2 K 4.0642 7.3064 125.2590 53.6677 35.7201 175.7494 -1 A 3.9696 7.5953 124.4641 52.0209 19.5158 176.6427 -4 G 4.9507 8.9383 102.8931 45.7568 0.0000 171.2586 -3 S 4.7730 8.9485 117.6662 56.7449 67.1706 172.9697 -2 A 4.0642 7.2564 128.6590 49.9677 21.7201 176.9494 -1 K 3.9696 7.6453 121.0641 55.7209 33.5158 175.4427 5 K 4.1834 7.9953 119.6605 59.3894 32.1554 178.9443 6 G 3.6630 8.1400 105.3690 47.7838 0.0000 175.1799 7 A 2.5800 7.8223 122.9354 54.5512 18.1687 179.5246 8 T 3.9610 7.6107 107.3941 64.3486 69.1418 177.0973 9 L 3.9685 7.8191 122.1515 57.3746 41.5529 178.7113 10 F 3.9405 8.2353 120.8789 61.5150 39.0507 177.2294 11 K 3.7762 7.7113 116.3949 59.4773 31.9783 178.6950 12 T 4.2526 7.5146 107.8330 62.7216 69.3854 176.1942 13 R 4.4953 8.1411 119.2777 56.1394 32.4368 176.6888 14 C 4.2497 8.0587 115.8041 60.0076 30.1570 175.7294 15 L 3.9799 7.1258 122.7598 57.4121 41.2507 178.3428 16 Q 4.0389 7.9026 118.1303 58.8663 29.0328 176.7828 17 C 4.8143 8.0245 114.0620 59.6583 30.0429 173.5009 18 H 5.3610 7.9428 114.4866 54.3078 33.3847 172.3233 19 T 5.0179 8.6666 109.7480 60.1886 71.6696 174.7423 20 V 4.0345 8.4459 119.5658 61.1482 33.2666 175.7679 21 E 4.2499 7.8521 120.5467 55.3774 30.2940 175.5544 22 K 3.9797 8.1526 122.7803 57.8571 32.3323 177.1774 23 G 3.9577 9.0303 114.9649 44.9621 0.0000 173.2837 24 G 4.3008 7.6768 108.0425 43.7496 0.0000 172.3141 25 P 4.5471 0.0000 0.0000 61.8503 32.6171 175.7199 26 H 4.7581 8.4038 116.7010 55.9215 30.2855 175.4292 27 K 4.6511 8.6491 123.6955 55.6787 32.6120 178.1904 28 V 3.7143 8.9634 124.6370 66.4885 31.4344 175.7681 29 G 4.1580 7.9818 105.5843 43.0325 0.0000 170.9628 30 P 4.3929 0.0000 0.0000 61.8903 32.1981 175.8029 31 N 4.5285 8.9948 120.3796 53.9712 39.7065 174.4301 32 L 4.4893 9.4425 125.8177 54.5991 42.1183 176.0508 33 H 4.2509 8.1770 119.2931 57.4241 30.1454 175.2736 34 G 3.9736 8.8545 112.9677 46.2899 0.0000 174.6893 35 I 3.7032 7.5280 122.0339 63.4248 38.1206 176.5210 36 F 4.4247 7.9755 119.0393 58.6311 39.0906 175.5814 37 G 3.9085 10.1318 115.2168 44.9713 0.0000 172.8595 38 A 4.7084 7.7590 121.4263 50.8845 21.6046 176.1756 39 H 4.9423 8.5182 116.1774 54.4770 30.4917 175.8116 40 S 4.2657 8.1728 115.8621 58.6687 63.6588 174.0066 41 G 2.0554 8.0378 107.7452 46.8875 0.0000 174.0107 42 Q 4.5223 7.7645 112.6471 54.7517 30.9513 175.9815 43 A 4.3106 8.4186 122.4482 51.9440 18.9721 177.7575 44 E 4.3517 8.7629 120.3456 56.9349 30.8860 176.7635 45 G 3.9553 9.0166 108.3801 46.1157 0.0000 172.3087 46 Y 4.4774 7.8076 118.8594 55.3903 40.9877 175.8302 47 S 4.3555 6.6336 121.1578 56.8076 61.2938 173.1791 48 Y 4.6569 8.0673 123.6477 56.9502 38.7472 176.0245 49 T 4.3826 8.3886 112.1161 61.3653 71.1928 175.3588 50 D 4.2165 8.6217 120.7182 57.2613 40.7600 178.8600 51 A 3.9682 7.9837 120.9417 55.1138 18.0271 179.2990 52 I 3.5607 7.6924 116.6538 64.3611 37.9044 177.9101 53 I 3.5728 6.9306 118.8447 64.5999 37.0351 178.2579 54 K 4.0911 7.5988 117.5806 58.7926 31.9754 178.9672 55 K 3.8358 7.7962 119.5976 57.6899 32.3506 176.4656 56 N 3.9507 7.5993 113.9655 53.8484 38.0882 174.1262 57 V 3.3291 6.9475 115.8824 62.8015 32.6597 174.2087 58 L 4.3385 7.9965 129.8372 53.3754 43.1692 175.6698 59 W 4.8692 9.0993 127.8054 56.5063 30.0488 175.1264 60 D 5.5865 8.7842 124.0039 50.5716 42.6810 176.4991 61 E 3.9335 9.0408 117.1692 59.9586 28.7529 178.9891 62 N 4.6067 8.2706 116.4881 55.5948 38.8162 176.7916 63 N 4.3060 9.6143 119.7629 56.7014 39.0635 176.6462 64 M 4.0756 8.1822 119.4465 58.6959 32.0330 178.2413 65 S 4.1336 7.5597 111.1078 61.4684 62.8212 175.6955 66 E 4.0890 7.7282 120.9273 59.3398 29.0137 178.5997 67 Y 4.1971 8.2858 119.8725 60.8953 38.9310 178.3049 68 L 4.0952 8.2506 119.5391 57.5242 41.4659 179.7921 69 T 4.3264 7.6793 117.9151 64.9652 69.1443 173.3810 70 N 4.8463 7.8154 116.6311 52.3188 40.9050 172.6902 71 P 4.0661 0.0000 0.0000 63.5390 31.6655 177.9971 *73 K 4.3534 7.9441 120.7760 56.5147 33.7580 176.2322 74 Y 4.3718 8.1721 118.9113 59.5936 39.1536 175.1684 75 I 4.4682 8.6141 120.8884 58.0550 38.1170 171.5011 76 P 4.4837 0.0000 0.0000 63.8578 31.7577 177.1377 77 G 3.9929 8.9817 111.1196 45.2560 0.0000 173.4299 78 T 4.1374 7.6215 114.6092 61.9402 67.7915 174.1312 79 K 4.2750 8.6163 125.4753 57.0694 33.2429 176.2894 80 M 4.0732 7.7616 119.0219 56.1547 31.9520 176.7336 81 A 4.4514 8.3255 134.7940 51.0499 17.6445 176.4037 82 F 4.9724 7.6443 122.6840 55.3822 42.6602 175.0396 83 G 3.3103 8.2460 117.1808 48.9311 0.0000 172.4013 84 G 3.6339 5.4674 102.6808 44.0271 0.0000 173.1474 85 L 4.5628 8.9783 119.9092 52.6352 41.8480 178.0030 86 K 3.9599 8.5159 124.3334 58.7481 32.7061 178.8735 87 K 4.2986 7.8714 119.2104 55.3680 33.4022 177.3041 88 E 4.0296 8.9275 125.2994 59.1398 29.5837 178.9463 89 K 3.9940 8.0097 118.4963 60.1579 32.6785 178.7817 90 D 4.4013 8.0710 119.7347 57.0024 40.8190 178.7501 91 R 4.0397 7.9577 118.1097 59.3060 30.0371 178.8703 92 N 4.6121 8.8000 116.4924 56.6190 38.7096 177.1941 93 D 4.4229 8.2284 120.1904 57.2652 40.8275 178.7091 94 L 4.0890 8.5428 121.1445 58.4132 42.1548 179.0275 95 I 3.7790 8.5711 120.0590 64.7371 36.5088 178.4791 96 T 4.0089 8.4057 116.7324 66.7727 68.2011 176.0440 97 Y 3.8905 8.0504 121.0302 60.6834 38.9055 177.8625 98 L 3.6741 8.2203 120.1853 57.6828 41.5601 179.3864 99 K 3.0319 7.8592 118.6088 58.8718 31.9408 178.4440 100 K 4.0038 6.8985 117.2107 58.8006 32.4594 178.6725 101 A 3.9616 7.4639 119.6096 54.0696 18.5765 178.4447 102 A 4.0888 7.6590 118.0170 52.2006 18.4611 177.1492 103 E 4.0076 7.7194 125.0150 56.8677 29.8155 176.0176 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 -5 T 8.17 4.44 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 1.37 0.00 0.00 -4 E 9.03 5.34 0.00 2.09 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 2.26 2.36 0.00 -3 F 8.94 4.92 0.00 2.96 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 -2 K 7.31 4.06 0.00 1.46 1.41 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.27 7.81 -1 A 7.60 3.97 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 -4 G 8.94 4.95 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 -3 S 8.95 4.77 0.00 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 0.00 -2 A 7.26 4.06 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 -1 K 7.65 3.97 0.00 1.57 1.54 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.36 7.81 5 K 8.00 4.18 0.00 1.83 1.95 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.51 7.81 6 G 8.14 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 0.00 0.00 0.00 7 A 7.82 2.58 1.12 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 0.00 0.00 8 T 7.61 3.96 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 1.20 0.00 0.00 9 L 7.82 3.97 0.00 2.00 1.77 0.95 0.96 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 10 F 8.24 3.94 0.00 3.00 2.93 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 11 K 7.71 3.78 0.00 1.73 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.65 7.81 12 T 7.51 4.25 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 1.22 0.00 0.00 13 R 8.14 4.50 0.00 1.74 1.95 0.00 3.51 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 14 C 8.06 4.25 0.00 1.23 2.32 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 15 L 7.13 3.98 0.00 1.59 1.72 1.18 0.88 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 16 Q 7.90 4.04 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 17 C 8.02 4.81 0.00 2.69 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 18 H 7.94 5.36 0.00 3.05 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.67 5.02 4.64 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 1.27 0.00 0.00 20 V 8.45 4.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.66 0.00 0.00 21 E 7.85 4.25 0.00 2.08 1.88 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 2.40 2.36 0.00 22 K 8.15 3.98 0.00 0.83 1.41 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.39 7.81 23 G 9.03 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 24 G 7.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.21 2.05 0.00 3.78 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 1.99 1.98 0.00 26 H 8.40 4.76 0.00 3.29 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.65 4.65 0.00 1.79 1.30 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 8.96 3.71 2.05 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 7.98 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 30 P 0.00 4.39 0.00 1.83 1.23 0.00 3.35 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.74 0.00 31 N 8.99 4.53 0.00 3.03 2.78 0.00 0.00 6.97 7.78 0.00 0.00 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 9.44 4.49 0.00 1.61 1.53 0.80 0.61 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 33 H 8.18 4.25 0.00 3.29 3.19 0.00 6.07 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.85 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 35 I 7.53 3.70 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.51 0.35 0.00 0.00 36 F 7.98 4.42 0.00 3.06 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 37 G 10.13 3.91 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 0.00 0.00 0.00 38 A 7.76 4.71 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 39 H 8.52 4.94 0.00 2.91 3.07 0.00 5.90 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.17 4.27 0.00 3.74 3.28 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 41 G 8.04 2.06 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 42 Q 7.76 4.52 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 43 A 8.42 4.31 1.43 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 0.00 0.00 44 E 8.76 4.35 0.00 2.18 2.05 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 2.31 2.37 0.00 45 G 9.02 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 46 Y 7.81 4.48 0.00 2.24 2.33 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 47 S 6.63 4.36 0.00 3.64 3.36 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 48 Y 8.07 4.66 0.00 3.10 2.93 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 49 T 8.39 4.38 4.32 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 1.33 0.00 0.00 50 D 8.62 4.22 0.00 2.73 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 51 A 7.98 3.97 1.37 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 0.00 0.00 0.00 52 I 7.69 3.56 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 1.00 0.00 0.00 53 I 6.93 3.57 1.98 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 1.47 0.74 0.85 0.00 0.00 54 K 7.60 4.09 0.00 1.88 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.40 7.81 55 K 7.80 3.84 0.00 1.79 1.98 0.00 1.61 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.24 1.22 7.81 56 N 7.60 3.95 0.00 2.78 2.71 0.00 0.00 7.20 7.59 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 57 V 6.95 3.33 0.98 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 -0.40 0.00 0.00 0.61 0.00 0.00 58 L 8.00 4.34 0.00 1.28 1.38 0.52 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.10 4.87 0.00 3.21 2.69 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 60 D 8.78 5.59 0.00 2.82 2.81 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 61 E 9.04 3.93 0.00 1.30 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 2.13 2.33 0.00 62 N 8.27 4.61 0.00 3.14 2.97 0.00 0.00 6.82 6.92 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 63 N 9.61 4.31 0.00 3.01 3.04 0.00 0.00 6.76 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 64 M 8.18 4.08 0.00 2.52 2.06 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 65 S 7.56 4.13 0.00 4.22 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 66 E 7.73 4.09 0.00 2.10 1.66 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 2.38 2.34 0.00 67 Y 8.29 4.20 0.00 2.99 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 68 L 8.25 4.10 0.00 1.77 1.81 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.68 4.33 4.40 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 1.23 0.00 0.00 70 N 7.82 4.85 0.00 2.62 2.70 0.00 0.00 7.24 8.41 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 71 P 0.00 4.07 0.00 2.18 1.39 0.00 3.70 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 2.27 1.88 0.00 *73 K 7.94 4.35 0.00 1.84 2.18 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.59 7.81 74 Y 8.17 4.37 0.00 3.21 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.61 4.47 2.10 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.92 0.00 0.00 76 P 0.00 4.48 0.00 2.05 2.02 0.00 3.63 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 2.01 2.09 0.00 77 G 8.98 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 0.00 0.00 0.00 78 T 7.62 4.14 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 79 K 8.62 4.28 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.54 7.81 80 M 7.76 4.07 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 81 A 8.33 4.45 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.64 4.97 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.25 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 0.00 0.00 0.00 84 G 5.47 3.63 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 0.00 0.00 0.00 85 L 8.98 4.56 0.00 1.98 1.70 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.52 3.96 0.00 1.73 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 87 K 7.87 4.30 0.00 1.98 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.93 4.03 0.00 2.05 1.97 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 2.39 2.42 0.00 89 K 8.01 3.99 0.00 2.02 2.06 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.54 7.81 90 D 8.07 4.40 0.00 2.88 2.81 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 91 R 7.96 4.04 0.00 2.15 2.09 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 92 N 8.80 4.61 0.00 2.79 2.95 0.00 0.00 7.06 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 93 D 8.23 4.42 0.00 2.75 3.03 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 94 L 8.54 4.09 0.00 1.80 1.84 1.17 1.05 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 95 I 8.57 3.78 2.10 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 1.60 0.64 0.35 0.00 0.00 96 T 8.41 4.01 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 1.30 0.00 0.00 97 Y 8.05 3.89 0.00 3.29 3.20 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 98 L 8.22 3.67 0.00 2.06 1.96 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.86 3.03 0.00 0.79 1.65 0.00 1.67 0.00 0.00 1.50 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.20 1.14 7.81 100 K 6.90 4.00 0.00 1.48 1.69 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.54 7.81 101 A 7.46 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.66 4.09 1.37 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 0.00 0.00 0.00 103 E 7.72 4.01 0.00 1.97 1.74 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 2.19 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.