NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1597 8.0093 120.7889 60.9138 39.4423 174.8917 2 Q 4.7297 8.1190 115.6929 53.5601 31.6631 172.8321 3 K 4.6750 9.1764 122.0087 55.1084 35.0357 176.3413 4 T 5.1893 8.7143 119.4050 59.2718 68.6159 172.4534 5 P 4.7519 0.0000 0.0000 63.3154 32.1750 175.4549 6 Q 4.6507 9.3065 123.0389 54.7419 30.7837 174.6863 7 I 5.1294 8.3413 123.0655 59.6443 40.7814 174.7750 8 Q 4.7659 9.3882 125.1062 54.1696 32.3144 174.2814 9 V 4.9105 8.4752 124.1270 61.4497 33.4329 174.2044 10 Y 5.1472 7.9945 123.3755 56.2529 41.3616 173.9321 11 S 4.6065 9.0198 116.1921 58.2564 64.2344 174.3441 12 R 4.0710 8.8224 121.8325 59.6353 29.8713 176.5122 13 H 4.9288 8.1180 114.1749 52.9727 30.7442 173.1153 14 P 4.3089 0.0000 0.0000 62.4284 31.4247 174.9097 15 P 4.5675 0.0000 0.0000 62.9144 32.0768 175.5076 16 E 4.6507 8.3984 120.5061 54.6626 32.6525 173.9700 17 N 4.6901 8.7438 124.2527 54.6637 39.0664 175.5575 18 G 3.8960 9.4282 111.3878 45.1498 0.0000 172.6659 19 K 4.5313 7.3516 121.0507 53.4885 33.8132 174.1912 20 P 4.3417 0.0000 0.0000 63.7726 32.2032 174.7361 21 N 4.9192 8.6365 120.5609 53.0685 43.3796 172.4732 22 I 5.2031 8.3661 119.6417 59.3078 41.2568 174.4767 23 L 4.3488 8.6007 127.7389 53.1832 44.0858 174.6715 24 N 5.1295 8.6166 124.1075 51.5349 41.3874 173.0510 25 C 5.1383 9.2852 123.8486 55.1519 46.6690 172.0327 26 Y 5.3074 9.6151 129.8334 56.3588 40.0083 174.1877 27 V 4.8462 8.6746 128.3761 61.5303 33.6157 174.7948 28 T 5.0930 8.7163 117.4704 60.3466 72.9431 173.7135 29 Q 3.7310 8.5788 117.9919 56.6697 28.1130 172.5889 30 F 5.3166 7.2671 110.4493 55.4483 41.4001 173.6780 31 H 5.1353 8.9139 116.0062 54.9122 33.7411 171.8668 32 P 4.5723 0.0000 0.0000 61.3185 32.2216 174.5344 33 P 4.1594 0.0000 0.0000 65.1891 31.4176 176.6542 34 H 4.0384 7.9718 118.6688 56.7077 30.0369 173.7194 35 I 4.4153 7.6000 124.2348 60.0564 40.9323 172.8397 36 E 4.6631 8.8555 128.4168 54.6343 31.8156 174.9318 37 I 4.9590 8.2730 124.2710 59.5814 40.3450 174.9255 38 Q 4.6383 9.0822 124.4743 54.3443 33.2088 173.9243 39 M 5.0977 8.5354 121.3424 53.5472 35.0071 174.6547 40 L 5.0874 9.1669 123.1712 52.6849 45.6080 175.3383 41 K 4.2863 8.8958 124.7971 54.5340 34.2782 175.8253 42 N 3.9954 9.7990 127.8657 54.4914 36.5501 175.7397 43 G 3.9680 8.4649 103.5733 45.3442 0.0000 173.5312 44 K 4.5684 7.5539 120.7915 53.6031 34.7524 175.1945 45 K 4.1972 8.4716 126.2822 56.4478 32.6984 176.2048 46 I 4.1057 8.3203 128.0756 59.9587 37.7103 174.0914 47 P 4.2735 0.0000 0.0000 65.3588 31.2243 177.3788 48 K 4.2848 7.7285 124.9531 53.5235 31.2439 173.3309 49 V 4.3408 7.7838 122.7370 60.5326 33.6029 174.2508 50 E 4.3741 8.8215 127.9478 55.8687 30.9846 175.0937 51 M 5.1925 8.3697 123.2680 53.5466 34.8600 175.2245 52 S 4.5274 8.7540 120.9533 58.2205 64.2827 173.8171 53 D 4.6368 8.4909 120.7033 53.4824 41.6814 176.0587 54 M 4.1867 8.4437 121.0168 56.5928 32.5932 175.5316 55 S 4.8634 8.3221 117.8693 56.9967 68.0348 172.8421 56 F 5.1930 7.9615 115.1846 55.4495 41.1103 174.5308 57 S 4.6445 9.1892 117.6340 56.9867 64.1370 175.4249 58 K 3.8669 8.3110 119.9164 58.9742 32.2600 177.1941 59 D 4.4490 7.8194 118.3346 52.7742 39.4836 177.4425 60 W 3.6879 8.0938 119.8484 57.0807 28.5427 174.8742 61 S 4.3341 8.0750 113.5459 57.9365 63.0907 173.4787 62 F 4.9088 8.2073 121.0710 56.9123 40.1342 174.3102 63 Y 5.2445 7.9681 117.4385 56.1333 41.6324 173.8097 64 I 4.9865 9.3783 121.8410 59.5935 42.2302 173.8794 65 L 5.3949 9.6479 127.7083 53.5070 44.3103 174.8208 66 A 5.3659 9.2233 129.1427 50.9296 21.4039 175.1855 67 H 5.7224 8.8856 115.4329 55.1651 32.5126 172.3320 68 T 4.8408 8.0212 112.8664 60.4500 71.0745 172.4819 69 E 4.7906 8.7932 127.1957 56.6190 30.2745 176.1224 70 F 4.8973 9.0922 117.7085 56.2553 41.8858 173.5012 71 T 4.3631 8.2907 116.8656 60.6415 70.3948 171.6409 72 P 4.6709 0.0000 0.0000 63.0048 32.5177 176.3562 73 T 4.7936 8.6632 114.7116 59.8221 70.6169 174.6577 74 E 4.1899 8.9301 119.4840 58.9787 29.7153 177.7271 75 T 4.3397 7.7434 111.8537 62.5236 68.4914 174.2842 76 D 4.6988 7.7534 120.8803 54.3609 41.5794 175.4397 77 T 4.9950 9.0484 114.3884 60.3227 71.6224 173.0162 78 Y 5.3306 8.9498 119.8809 56.6975 42.5203 173.9939 79 A 4.9233 9.0208 122.1195 51.1331 23.7929 174.0999 80 C 5.2349 8.9563 119.1806 54.7732 47.0108 172.5066 81 R 5.0830 9.3853 127.7951 54.5943 32.0335 174.5153 82 V 4.6974 8.9691 126.8450 60.8540 34.5131 173.8243 83 K 4.8853 8.8957 129.4639 54.9125 34.4044 174.1594 84 H 5.0357 8.4926 125.5092 54.7987 32.9245 173.9270 85 D 4.3413 8.5123 123.8982 57.1849 41.0459 177.8991 86 S 4.3976 8.0500 112.3782 59.6050 63.5323 173.3260 87 M 4.9528 8.0509 121.3122 53.1818 34.7545 175.2714 88 A 4.1339 8.9593 126.6270 54.4877 18.7954 177.2135 89 E 4.8113 7.6681 112.2388 53.5435 32.9238 173.7894 90 P 4.5948 0.0000 0.0000 62.5351 32.3464 175.7883 91 K 4.4169 8.7836 125.9900 55.6950 33.8218 175.1297 92 T 5.1262 8.5432 123.9455 61.6716 70.7048 173.9151 93 V 4.5228 8.3611 125.8535 60.0533 34.0944 174.4238 94 Y 4.6525 8.8112 122.6021 56.4612 39.2164 175.1664 95 W 4.5152 9.0705 134.2736 57.9054 31.5258 174.6214 96 D 4.6050 8.7393 126.7715 51.9507 42.1320 176.6305 97 R 3.7072 7.6863 123.1200 57.8256 29.6589 176.2287 98 D 4.5558 7.9185 117.5711 56.6691 42.9467 176.5794 *99 M 4.3177 10.1606 119.8601 54.7063 32.0756 176.9141 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 I 8.01 4.16 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.93 0.00 0.00 2 Q 8.12 4.73 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 3 K 9.18 4.68 0.00 1.97 1.97 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 T 8.71 5.19 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 1.26 0.00 0.00 5 P 0.00 4.75 0.00 2.01 1.80 0.00 3.80 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 6 Q 9.31 4.65 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 7 I 8.34 5.13 1.91 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 1.33 0.61 0.95 0.00 0.00 8 Q 9.39 4.77 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 9 V 8.48 4.91 2.27 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 0.79 0.00 0.00 1.02 0.00 0.00 10 Y 7.99 5.15 0.00 3.16 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 11 S 9.02 4.61 0.00 4.19 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 12 R 8.82 4.07 0.00 1.75 1.83 0.00 3.05 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 13 H 8.12 4.93 0.00 3.23 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.09 2.09 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 15 P 0.00 4.57 0.00 2.47 2.66 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 16 E 8.40 4.65 0.00 1.99 1.78 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 0.00 2.28 2.34 0.00 17 N 8.74 4.69 0.00 2.78 2.78 0.00 0.00 7.15 7.65 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 18 G 9.43 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 19 K 7.35 4.53 0.00 1.68 1.66 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 20 P 0.00 4.34 0.00 1.92 1.94 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 21 N 8.64 4.92 0.00 2.49 2.24 0.00 0.00 6.81 7.87 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 22 I 8.37 5.20 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.83 0.00 0.00 23 L 8.60 4.35 0.00 0.27 0.65 -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.62 5.13 0.00 1.44 2.11 0.00 0.00 6.05 7.88 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 25 C 9.29 5.14 0.00 2.83 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 26 Y 9.62 5.31 0.00 3.31 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 27 V 8.67 4.85 2.12 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 0.86 0.00 0.00 0.91 0.00 0.00 28 T 8.72 5.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 29 Q 8.58 3.73 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 30 F 7.27 5.32 0.00 2.94 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 31 H 8.91 5.14 0.00 3.42 3.25 0.00 5.77 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 32 P 0.00 4.57 0.00 2.04 1.99 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 33 P 0.00 4.16 0.00 1.66 0.49 0.00 3.54 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 0.00 34 H 7.97 4.04 0.00 3.08 3.24 0.00 5.77 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 35 I 7.60 4.42 1.53 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.55 0.76 0.00 0.00 36 E 8.86 4.66 0.00 1.88 1.76 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 2.16 2.15 0.00 37 I 8.27 4.96 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.86 0.00 0.00 38 Q 9.08 4.64 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 39 M 8.54 5.10 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 40 L 9.17 5.09 0.00 1.44 1.49 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.90 4.29 0.00 1.72 1.58 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.07 0.64 7.81 42 N 9.80 4.00 0.00 2.77 2.82 0.00 0.00 7.12 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 43 G 8.46 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 44 K 7.55 4.57 0.00 1.76 1.73 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 45 K 8.47 4.20 0.00 1.74 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 I 8.32 4.11 1.95 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 1.40 0.73 0.93 0.00 0.00 47 P 0.00 4.27 0.00 2.17 2.18 0.00 3.74 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 1.99 1.96 0.00 48 K 7.73 4.28 0.00 1.69 1.75 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 49 V 7.78 4.34 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 0.80 0.00 0.00 0.95 0.00 0.00 50 E 8.82 4.37 0.00 1.47 1.71 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 2.16 2.24 0.00 51 M 8.37 5.19 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 52 S 8.75 4.53 0.00 4.01 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 53 D 8.49 4.64 0.00 2.70 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 54 M 8.44 4.19 0.00 2.06 2.01 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 2.81 2.71 0.00 55 S 8.32 4.86 0.00 2.95 3.40 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 56 F 7.96 5.19 0.00 2.30 1.80 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 57 S 9.19 4.64 0.00 4.07 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 58 K 8.31 3.87 0.00 1.63 1.77 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.29 7.81 59 D 7.82 4.45 0.00 2.78 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 60 W 8.09 3.69 0.00 3.33 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 S 8.08 4.33 0.00 3.91 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 62 F 8.21 4.91 0.00 1.93 2.50 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 63 Y 7.97 5.24 0.00 3.02 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 64 I 9.38 4.99 2.03 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 1.36 1.30 0.99 0.00 0.00 65 L 9.65 5.39 0.00 2.00 1.68 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.22 5.37 1.19 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 0.00 0.00 67 H 8.89 5.72 0.00 3.16 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.02 4.84 4.15 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 1.05 0.00 0.00 69 E 8.79 4.79 0.00 1.93 1.91 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 2.35 2.33 0.00 70 F 9.09 4.90 0.00 3.03 2.84 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 71 T 8.29 4.36 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 1.14 0.00 0.00 72 P 0.00 4.67 0.00 2.32 2.44 0.00 3.49 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.75 0.00 73 T 8.66 4.79 4.31 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 1.27 0.00 0.00 74 E 8.93 4.19 0.00 2.13 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 0.00 2.31 2.27 0.00 75 T 7.74 4.34 4.27 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 1.24 0.00 0.00 76 D 7.75 4.70 0.00 3.08 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 0.00 0.00 0.00 0.00 77 T 9.05 5.00 4.44 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 0.00 0.00 0.00 1.26 0.00 0.00 78 Y 8.95 5.33 0.00 3.05 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 79 A 9.02 4.92 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.96 5.23 0.00 2.90 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 81 R 9.39 5.08 0.00 1.77 1.70 0.00 3.06 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 82 V 8.97 4.70 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 0.72 0.00 0.00 0.85 0.00 0.00 83 K 8.90 4.89 0.00 1.78 1.58 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.32 7.81 84 H 8.49 5.04 0.00 3.05 3.01 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.51 4.34 0.00 2.58 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 86 S 8.05 4.40 0.00 4.09 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 0.00 87 M 8.05 4.95 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 88 A 8.96 4.13 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 89 E 7.67 4.81 0.00 1.93 1.83 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 2.19 2.23 0.00 90 P 0.00 4.59 0.00 1.92 1.96 0.00 3.66 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 2.01 2.06 0.00 91 K 8.78 4.42 0.00 1.86 1.65 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 92 T 8.54 5.13 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 0.74 0.00 0.00 93 V 8.36 4.52 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 0.74 0.00 0.00 1.02 0.00 0.00 94 Y 8.81 4.65 0.00 2.97 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 95 W 9.07 4.52 0.00 3.25 3.32 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 96 D 8.74 4.60 0.00 2.72 2.46 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 0.00 0.00 0.00 0.00 97 R 7.69 3.71 0.00 1.72 0.78 0.00 2.91 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.44 0.00 98 D 7.92 4.56 0.00 2.72 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 *99 M 10.16 4.32 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.