NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9445 8.0249 114.2051 60.0386 39.6739 176.0031 3 W 4.6344 7.4070 121.2210 56.7212 29.2403 174.2455 4 K 4.5977 10.3689 122.2260 55.9880 34.5155 176.1624 5 R 4.6793 7.8971 116.9537 53.8270 33.1657 174.7180 6 K 4.4092 8.3834 119.9442 55.4316 33.9844 175.6055 7 I 4.5037 7.7840 121.7744 58.8840 41.4602 173.5257 8 T 4.6257 7.8333 115.7535 59.4365 71.4649 174.3785 9 L 3.8912 8.2412 124.9851 57.7806 41.8321 179.2290 10 E 3.8652 8.1940 118.5560 59.2757 29.2675 178.7376 11 A 3.8980 7.7510 118.8498 55.1317 18.6725 178.7849 12 L 3.8252 7.5109 116.0612 58.4542 41.7968 179.4382 13 N 4.5910 8.2949 114.7951 55.9349 38.8079 178.1339 14 A 4.2670 7.8353 123.7698 51.5712 18.3691 179.1209 *16 G 4.3484 8.1342 110.7943 45.6958 0.0000 173.6104 17 E 3.9297 7.6374 120.6078 57.6642 29.6350 177.4980 18 G 3.9371 8.5729 112.6943 44.7772 0.0000 172.9788 19 N 4.6793 7.8458 113.1406 53.3128 38.6803 176.3020 *21 V 3.9972 8.8121 116.6327 62.2966 34.3550 176.8492 22 G 3.4695 7.9956 108.6734 48.4510 0.0000 175.3732 23 F 4.4248 7.9116 117.2457 59.0992 39.1082 176.1406 24 L 4.4424 7.8514 118.5854 53.6674 41.8922 175.4643 25 D 4.3472 7.6068 117.2574 55.0998 40.1004 173.3576 26 I 4.2071 7.5076 117.7488 60.7694 38.0270 176.2347 27 R 4.8037 8.7751 125.9281 54.1855 33.4454 174.8079 28 F 4.5383 9.7282 124.1724 57.5887 38.9292 175.2804 29 E 4.6843 9.1629 121.7350 56.4671 32.1937 176.0010 30 H 5.0403 8.0827 115.4462 54.2203 33.6952 172.7568 31 I 4.8663 8.5173 122.2255 59.7429 39.8630 175.0600 32 G 4.3722 8.9414 118.5893 44.4607 0.0000 172.0493 33 D 4.6500 8.9468 118.3557 57.2878 41.4030 178.2407 34 D 4.5865 7.9283 115.8442 53.1663 40.5442 175.0886 35 T 5.8495 8.4226 107.6941 59.7554 73.0230 172.0316 36 L 5.3809 8.6567 123.2429 53.6747 45.9056 174.7295 37 E 5.8968 9.6863 124.1019 53.7343 33.7884 174.5909 38 A 4.9901 8.3631 123.0093 50.9952 23.1095 175.6750 39 T 5.0796 8.6100 111.3147 58.6410 72.1978 171.3662 *41 P 4.4483 0.0000 0.0000 63.4373 32.6358 176.9991 42 V 4.2864 8.4129 122.6388 61.7547 31.2235 174.1112 43 D 4.5952 8.8114 126.4923 51.9902 42.3982 175.3184 44 S 4.0366 9.0966 111.7451 62.2251 62.2148 176.6417 45 R 4.1196 8.6357 118.5531 58.2355 30.1725 177.3217 46 T 4.5538 8.2702 106.8322 60.9893 69.1513 173.5380 47 K 4.9251 7.9031 120.6897 55.2295 34.4302 175.5885 48 Q 4.6324 8.5226 119.4816 53.8835 30.7152 175.1074 49 P 3.9731 0.0000 0.0000 65.8600 31.2822 177.2456 50 F 4.5200 8.3615 114.6899 57.5026 38.6292 177.0561 51 G 3.9657 8.2702 109.5251 45.2561 0.0000 173.9890 52 L 4.8139 7.5311 119.1425 52.4854 44.6865 175.5127 53 L 4.3612 8.6070 123.6291 55.8473 42.7630 176.1879 54 H 4.2171 9.6731 127.2184 55.8267 30.2730 176.2424 55 G 3.7240 9.0580 113.1031 48.0213 0.0000 175.5895 56 G 3.6805 8.4982 106.9817 47.3886 0.0000 175.6048 57 A 4.0311 8.4133 123.9156 55.1264 18.4473 179.8788 58 S 4.1204 8.0334 112.3134 61.4999 62.9883 176.7658 59 V 3.6606 7.5829 122.1783 65.5226 31.2373 178.1091 60 V 3.5707 7.8163 118.1735 65.9607 31.5012 177.7819 61 L 3.8691 7.9804 119.7400 57.9540 41.8890 178.7368 62 A 3.9839 8.0348 120.6749 55.3625 18.4511 179.3632 63 E 3.9580 8.6245 117.9758 59.0398 29.7307 179.2961 64 S 4.1431 8.0403 115.5987 61.6797 62.9756 176.6277 65 I 4.1112 7.7287 122.2617 64.4404 36.9148 178.7636 66 G 3.4303 8.2326 106.9102 47.7034 0.0000 175.8881 67 S 4.1691 8.1364 116.6063 61.1941 63.0773 177.0888 68 V 3.6288 7.7159 115.3871 63.9162 31.0836 178.2811 69 A 4.0938 8.0044 120.1309 55.0659 18.3886 179.5624 70 G 4.0559 7.4953 104.0680 48.3439 0.0000 175.2378 71 Y 4.2196 8.1026 122.1857 60.2972 38.7607 177.6794 72 L 4.2643 8.3836 118.6224 56.1739 41.4573 177.7643 73 C 5.0603 7.9806 116.3500 58.6457 29.0178 172.7318 74 T 4.6913 7.2910 109.9678 59.7694 71.4665 172.0882 75 E 4.6920 7.9647 119.6297 54.4760 34.4188 177.6647 76 G 3.7224 8.2163 109.2079 47.5911 0.0000 174.2931 77 E 4.4292 8.7877 123.7226 56.3797 29.5856 176.3823 78 Q 4.4695 7.8075 118.6483 56.3443 29.5535 175.6360 79 K 5.0603 9.5643 120.3059 55.0909 37.4247 175.1424 80 V 4.9368 8.5340 120.4522 61.2610 34.2848 174.7292 81 V 4.5015 8.5179 126.4788 60.7927 34.8295 174.6582 82 G 4.0291 8.8345 114.9546 46.7835 0.0000 172.6364 83 L 4.6411 9.3055 125.9245 56.1286 42.7255 176.5787 84 E 4.7747 7.9611 118.4604 54.4339 33.3799 173.1541 85 I 5.2704 8.4485 125.6391 59.2539 41.2620 173.9582 86 N 5.2364 8.9285 124.3539 51.4381 40.8713 173.0761 87 A 5.1474 8.4692 121.3189 50.6500 22.9757 174.9403 88 N 4.7828 9.1755 118.4120 51.7925 41.1953 173.7652 89 H 5.0531 8.7561 121.9777 55.2716 28.8467 175.3507 90 V 4.2916 8.4932 117.1377 61.6880 33.2750 176.6616 91 R 4.5927 7.7718 118.8410 54.7249 32.9502 173.6877 92 S 4.6210 8.5376 118.6619 56.7264 64.9396 173.2230 93 A 4.7129 8.2990 126.2003 50.8363 20.5809 177.5438 94 R 4.5636 8.4788 119.3426 56.8397 32.5117 175.3496 95 E 4.5948 7.7862 112.7606 56.2208 33.2029 176.4364 96 G 4.0429 8.4458 107.6651 46.6562 0.0000 175.1343 97 R 4.9087 8.8791 121.8121 54.4299 34.1801 174.4193 98 V 4.7944 8.1594 113.4451 59.7602 35.2000 174.7923 99 R 4.9542 8.9116 118.2711 54.6031 32.8698 174.1156 100 G 4.4124 9.2139 110.5429 44.6107 0.0000 172.4038 101 V 4.7174 9.3434 124.7774 61.1982 34.0030 173.6231 102 C 5.3845 9.3569 129.5073 57.8125 33.5698 172.3360 103 K 5.5245 9.5073 127.0912 54.1433 35.8255 173.2723 104 P 4.2785 0.0000 0.0000 62.5207 31.7274 175.6443 105 L 4.5537 8.3545 121.3528 55.7107 44.1764 176.4774 106 H 4.4548 7.3421 117.0868 55.1471 33.2546 172.5961 107 L 4.6451 8.1715 125.6410 52.7953 41.9362 176.2880 108 G 3.9461 8.5372 112.7642 43.9289 0.0000 171.3004 109 S 4.3364 8.5349 114.1279 60.4039 63.2794 175.6119 110 R 4.5467 7.9688 116.9097 56.1004 32.4559 174.6980 111 H 5.5664 7.8765 113.3035 54.1907 33.5800 172.3707 112 Q 4.9638 9.0180 118.1914 54.3648 33.7629 174.4167 113 V 4.8133 8.5113 121.3769 61.1177 34.8210 174.0947 114 W 5.1821 9.7795 128.0827 54.9101 32.3920 174.2967 115 Q 5.0877 9.5287 125.6706 54.5481 30.8692 174.1146 116 I 5.1796 9.0336 127.2067 59.6908 40.6437 174.0897 117 E 5.0054 9.2476 126.8413 54.5570 32.3851 174.9949 118 I 4.9875 8.5701 125.0670 59.6071 39.9949 174.7996 119 F 5.3736 9.3970 125.5310 55.6218 42.8300 175.1157 120 D 4.9382 8.8181 121.2484 52.0368 41.1257 177.1654 121 E 4.0188 8.6961 117.5343 58.5811 29.3723 178.6471 122 K 4.3888 8.3412 116.6995 55.8769 32.4849 177.0082 123 G 3.9343 8.5034 107.3519 45.6557 0.0000 173.7535 124 R 4.4891 8.6405 119.8084 54.3566 31.1451 175.9335 125 L 3.7078 8.5758 124.6172 55.4610 42.8362 175.9094 126 C 4.7221 8.9265 122.9930 60.8037 31.4383 173.6144 127 C 5.1786 7.5304 117.4022 58.0176 35.0670 172.6597 128 S 5.1766 9.0125 120.6529 56.5567 64.7430 172.8085 129 S 5.2764 9.2361 121.0118 56.7313 67.3922 172.9667 130 R 5.1785 8.9196 118.4057 54.4250 33.9936 174.0778 131 L 5.1741 9.5432 126.1506 53.6484 44.8291 174.8498 132 T 5.2006 9.1051 123.6353 62.1823 70.8466 173.8254 133 T 5.2536 9.4414 115.7558 59.7989 72.9977 172.4653 134 A 5.1649 8.7690 123.2619 50.2238 22.1056 175.2277 135 I 4.6465 8.6341 124.1460 60.4194 38.1749 175.5043 136 L 4.8341 9.0307 126.7100 52.9190 45.8285 175.5078 137 L 4.9315 8.2171 122.3643 52.6630 42.6883 175.9029 138 E 4.3254 8.2791 123.5291 56.2852 29.4357 174.9147 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 I 8.02 3.94 1.55 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.25 0.63 0.00 0.00 3 W 7.41 4.63 0.00 3.42 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 4 K 10.37 4.60 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.62 7.81 5 R 7.90 4.68 0.00 1.66 1.71 0.00 2.63 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 6 K 8.38 4.41 0.00 1.83 1.80 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.33 7.81 7 I 7.78 4.50 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.65 0.00 0.00 8 T 7.83 4.63 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 1.17 0.00 0.00 9 L 8.24 3.89 0.00 1.69 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 3.87 0.00 2.04 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 2.36 2.42 0.00 11 A 7.75 3.90 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.51 3.83 0.00 1.60 1.31 0.26 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.29 4.59 0.00 2.68 2.91 0.00 0.00 7.13 7.52 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 14 A 7.84 4.27 1.36 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 0.00 0.00 *16 G 8.13 4.35 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 0.00 17 E 7.64 3.93 0.00 1.96 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 0.00 2.34 2.33 0.00 18 G 8.57 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 0.00 0.00 0.00 19 N 7.85 4.68 0.00 2.94 2.77 0.00 0.00 5.85 7.68 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 *21 V 8.81 4.00 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 0.99 0.00 0.00 0.97 0.00 0.00 22 G 8.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.42 0.00 3.11 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 24 L 7.85 4.44 0.00 1.64 1.70 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.61 4.35 0.00 2.73 2.70 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 26 I 7.51 4.21 1.79 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 1.15 0.61 0.67 0.00 0.00 27 R 8.78 4.80 0.00 1.65 1.76 0.00 3.36 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 28 F 9.73 4.54 0.00 2.84 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 29 E 9.16 4.68 0.00 1.74 1.77 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 2.18 2.43 0.00 30 H 8.08 5.04 0.00 3.14 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.52 4.87 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.47 0.00 0.00 32 G 8.94 4.37 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 0.00 33 D 8.95 4.65 0.00 2.71 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 34 D 7.93 4.59 0.00 2.48 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 35 T 8.42 5.85 4.41 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 1.33 0.00 0.00 36 L 8.66 5.38 0.00 2.01 1.65 0.89 0.80 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 37 E 9.69 5.90 0.00 2.02 1.84 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 2.31 2.18 0.00 38 A 8.36 4.99 0.46 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 0.00 0.00 39 T 8.61 5.08 4.28 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 1.28 0.00 0.00 *41 P 0.00 4.45 0.00 2.28 2.13 0.00 3.81 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 1.88 1.97 0.00 42 V 8.41 4.29 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 0.90 0.00 0.00 0.98 0.00 0.00 43 D 8.81 4.60 0.00 2.79 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 44 S 9.10 4.04 0.00 3.84 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 45 R 8.64 4.12 0.00 1.95 1.98 0.00 3.35 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 46 T 8.27 4.55 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 1.21 0.00 0.00 47 K 7.90 4.93 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.25 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.57 7.81 48 Q 8.52 4.63 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.66 0.00 49 P 0.00 3.97 0.00 1.74 1.85 0.00 3.68 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 1.98 2.08 0.00 50 F 8.36 4.52 0.00 3.19 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 51 G 8.27 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 7.53 4.81 0.00 1.64 1.59 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.61 4.36 0.00 1.68 1.57 0.98 0.97 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 54 H 9.67 4.22 0.00 3.29 3.14 0.00 5.66 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 55 G 9.06 3.72 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 0.00 0.00 0.00 56 G 8.50 3.68 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 0.00 0.00 0.00 57 A 8.41 4.03 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 0.00 0.00 0.00 0.00 0.00 58 S 8.03 4.12 0.00 4.06 4.12 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 59 V 7.58 3.66 2.28 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 1.08 0.00 0.00 1.08 0.00 0.00 60 V 7.82 3.57 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 0.94 0.00 0.00 0.95 0.00 0.00 61 L 7.98 3.87 0.00 1.78 1.80 0.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.03 3.98 1.44 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 0.00 0.00 0.00 63 E 8.62 3.96 0.00 2.17 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 0.00 2.33 2.38 0.00 64 S 8.04 4.14 0.00 4.06 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 65 I 7.73 4.11 1.90 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 1.27 0.60 1.05 0.00 0.00 66 G 8.23 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 0.00 0.00 0.00 67 S 8.14 4.17 0.00 4.08 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 68 V 7.72 3.63 1.86 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 0.70 0.00 0.00 1.01 0.00 0.00 69 A 8.00 4.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 71 Y 8.10 4.22 0.00 3.17 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 72 L 8.38 4.26 0.00 2.20 1.99 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.98 5.06 0.00 3.47 3.01 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 0.00 0.00 0.00 0.00 74 T 7.29 4.69 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 1.35 0.00 0.00 75 E 7.96 4.69 0.00 1.97 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 2.26 2.25 0.00 76 G 8.22 3.72 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 0.00 0.00 0.00 77 E 8.79 4.43 0.00 2.00 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 2.31 2.34 0.00 78 Q 7.81 4.47 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 79 K 9.56 5.06 0.00 1.66 1.71 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.62 7.81 80 V 8.53 4.94 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 0.91 0.00 0.00 1.14 0.00 0.00 81 V 8.52 4.50 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 0.93 0.00 0.00 0.96 0.00 0.00 82 G 8.83 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 83 L 9.31 4.64 0.00 1.73 1.77 1.03 0.86 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 84 E 7.96 4.77 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 2.28 2.25 0.00 85 I 8.45 5.27 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.94 0.00 0.00 86 N 8.93 5.24 0.00 2.84 3.01 0.00 0.00 6.42 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 87 A 8.47 5.15 1.17 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 88 N 9.18 4.78 0.00 2.65 2.70 0.00 0.00 7.04 7.70 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 89 H 8.76 5.05 0.00 3.02 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.49 4.29 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 0.61 0.00 0.00 0.95 0.00 0.00 91 R 7.77 4.59 0.00 1.74 1.79 0.00 3.23 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 92 S 8.54 4.62 0.00 4.00 3.83 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 93 A 8.30 4.71 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 94 R 8.48 4.56 0.00 1.79 1.97 0.00 3.23 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 95 E 7.79 4.59 0.00 2.03 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 2.19 2.31 0.00 96 G 8.45 4.04 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 0.00 0.00 0.00 97 R 8.88 4.91 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 98 V 8.16 4.79 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 1.00 0.00 0.00 0.93 0.00 0.00 99 R 8.91 4.95 0.00 1.87 2.00 0.00 2.77 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 1.58 1.68 0.00 100 G 9.21 4.41 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 0.00 101 V 9.34 4.72 2.30 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 1.04 0.00 0.00 1.04 0.00 0.00 102 C 9.36 5.38 0.00 3.09 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 0.00 103 K 9.51 5.52 0.00 1.92 1.68 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.42 7.81 104 P 0.00 4.28 0.00 1.48 0.61 0.00 3.80 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 1.75 1.68 0.00 105 L 8.35 4.55 0.00 1.52 1.67 0.93 0.95 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 0.00 106 H 7.34 4.45 0.00 3.12 3.00 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.17 4.65 0.00 1.30 1.37 0.64 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.54 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 0.00 109 S 8.53 4.34 0.00 3.88 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 0.00 110 R 7.97 4.55 0.00 1.81 1.81 0.00 3.07 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 111 H 7.88 5.57 0.00 3.08 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.02 4.96 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 113 V 8.51 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 114 W 9.78 5.18 0.00 3.32 3.13 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 0.00 115 Q 9.53 5.09 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 116 I 9.03 5.18 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 1.01 0.00 0.00 117 E 9.25 5.01 0.00 2.14 1.60 0.00 0.00 0.00 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 2.54 0.00 118 I 8.57 4.99 1.81 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 1.24 0.65 0.92 0.00 0.00 119 F 9.40 5.37 0.00 2.97 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 0.00 120 D 8.82 4.94 0.00 2.93 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 0.00 121 E 8.70 4.02 0.00 2.07 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 2.49 2.42 0.00 122 K 8.34 4.39 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.43 7.81 123 G 8.50 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 0.00 0.00 0.00 124 R 8.64 4.49 0.00 2.26 1.90 0.00 3.16 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 125 L 8.58 3.71 0.00 1.36 1.48 0.39 0.81 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 0.00 126 C 8.93 4.72 0.00 2.88 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 0.00 127 C 7.53 5.18 0.00 2.96 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 0.00 128 S 9.01 5.18 0.00 3.93 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 0.00 129 S 9.24 5.28 0.00 4.08 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 0.00 130 R 8.92 5.18 0.00 1.98 1.86 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 131 L 9.54 5.17 0.00 1.80 1.69 1.06 0.81 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 0.00 132 T 9.11 5.20 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 1.30 0.00 0.00 133 T 9.44 5.25 4.48 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 1.45 0.00 0.00 134 A 8.77 5.16 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 0.00 135 I 8.63 4.65 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.98 0.00 0.00 136 L 9.03 4.83 0.00 1.57 1.53 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.22 4.93 0.00 1.61 1.54 0.93 0.89 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 0.00 138 E 8.28 4.33 0.00 1.93 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 2.18 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.