NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.2934 8.4045 118.7933 54.3166 33.5435 175.8530 *2 N 4.4119 8.2824 116.6669 51.5457 39.6114 172.5049 *3 A 4.1825 8.4258 123.6804 52.1509 21.1771 175.3806 *4 P 4.2283 0.0000 0.0000 62.5665 32.8174 176.7951 *5 D 4.5136 8.3592 119.9646 53.6893 41.7026 176.1765 *6 R 4.2136 8.2492 120.3400 56.6576 31.3846 175.9724 *7 F 4.4936 8.3192 119.0571 57.1250 39.9799 175.3087 *8 E 4.2236 8.4392 119.4900 56.2973 31.5014 176.2508 *9 L 4.2136 8.1792 121.7219 54.7107 42.9557 177.2724 *10 F 4.4936 8.3192 119.7865 57.0603 39.9206 175.4508 *11 L 4.2136 8.1792 123.5030 54.6540 42.6906 177.2508 *12 L 4.2413 8.1259 119.2395 54.0091 42.8302 176.8616 *13 G 3.7995 8.3492 110.5152 46.0366 0.0000 174.4087 *14 E 4.1596 8.3859 116.2485 55.6523 31.7212 175.8281 *15 G 3.7995 8.3492 110.6917 46.0366 0.0000 174.4087 *16 E 4.1319 8.4392 118.5544 56.4398 31.7212 176.4099 *17 S 4.3436 8.3292 118.0546 58.4485 64.3344 174.4101 *18 K 4.1936 8.3092 124.5871 54.9638 33.4310 176.2508 *19 L 4.2136 8.1792 121.7820 54.6150 42.8118 177.4101 *20 K 4.1936 8.3092 122.9193 55.0492 33.6267 176.3239 *21 I 4.0436 8.0192 119.5651 60.3974 37.3716 175.7930 *22 D 4.5136 8.3592 122.0338 53.1630 41.6206 174.2159 *23 P 4.2936 0.0000 0.0000 62.5665 32.7452 176.6930 *24 D 4.5136 8.3592 119.9646 53.9424 41.7026 176.0964 *25 T 4.2236 8.1692 114.1853 61.1508 70.4469 174.5101 *26 K 4.1708 8.2076 122.9891 54.3143 33.7132 175.4736 *27 A 4.1825 8.2592 124.5975 52.1509 20.0735 175.7159 *28 P 4.2283 0.0000 0.0000 62.5384 32.8174 176.8115 *29 N 4.5908 8.3176 115.5150 52.0347 39.4972 174.0736 *30 A 4.1825 8.2592 123.9349 52.6869 20.2462 177.8721 *31 V 3.9283 8.0492 117.4467 61.2696 33.6804 176.4742 *32 V 3.9936 8.0492 119.8512 61.2579 33.4484 176.0239 *33 I 4.0436 8.0192 120.4925 60.6121 37.2938 176.1964 *34 T 4.2236 8.1692 115.3974 61.2465 70.2750 174.3724 *35 F 4.4936 8.3192 122.5411 57.1250 40.0071 175.3087 *36 E 4.2236 8.4392 119.4900 56.2583 31.5014 176.4101 *37 K 4.1936 8.3092 123.0958 55.0285 33.7522 176.1087 *38 E 4.2236 8.4392 117.7690 56.4232 31.6226 175.9930 *39 D 4.5136 8.3592 120.5100 53.9576 41.8544 175.6800 *40 H 4.6036 8.4392 118.6411 55.2620 29.9543 173.8964 *41 T 4.2236 8.1692 114.4708 61.1898 70.2767 174.3508 *42 L 4.2413 8.1259 121.9941 54.0091 42.9168 176.8616 *43 G 3.7995 8.3492 110.5152 46.0697 0.0000 174.3094 *44 N 4.5219 8.4192 119.5906 52.6842 39.6037 174.8173 *45 L 4.2136 8.1792 121.1194 54.7394 42.9845 177.3239 *46 I 4.0436 8.0192 119.3284 60.3590 37.3901 176.2765 *47 R 4.1908 8.1476 118.8674 55.9513 31.2127 175.1736 *48 A 4.1825 8.2592 123.6315 52.6545 20.1513 177.3087 *49 E 4.1583 8.4392 116.2918 56.2973 31.7768 176.3529 *50 L 4.2136 8.1792 121.7219 54.6540 42.9557 177.2508 *51 L 4.2136 8.1792 121.5453 54.7518 42.8302 177.0094 *52 N 4.6136 8.4192 118.5685 52.8101 39.5235 174.5930 *53 D 4.5136 8.3592 119.9075 53.6893 41.8832 176.1765 *54 R 4.2136 8.2492 120.3400 56.5619 31.3846 176.1101 *55 K 4.1936 8.3092 122.1899 55.0609 33.6860 176.6721 *56 V 3.9936 8.0492 118.9238 61.1725 33.5261 175.9508 *57 L 4.2136 8.1792 122.7094 54.7107 42.7340 177.2724 *58 F 4.4708 8.2176 117.1018 56.4108 39.9206 174.6736 *59 A 4.1597 8.1576 123.6339 51.9403 19.9523 176.6736 *60 A 4.1172 8.2592 123.1204 52.8396 20.2277 177.1711 *61 Y 4.3583 8.1392 118.6910 57.1402 38.9247 175.8122 *62 K 4.1936 8.3092 124.0797 55.0609 33.7955 176.6721 *63 V 3.9936 8.0492 118.9238 61.2372 33.5261 175.8087 *64 E 4.2236 8.4392 118.6964 56.6530 31.5448 175.9800 *65 H 4.6036 8.4392 118.3294 54.4826 30.0162 172.0159 *66 P 4.2936 0.0000 0.0000 62.4973 32.5750 176.9724 *67 F 4.4936 8.3192 119.4177 57.1170 39.8942 175.4724 *68 F 4.4708 8.2176 119.0595 56.4108 39.7809 174.6736 *69 A 4.1825 8.2592 126.3186 52.6772 19.9523 177.6765 *70 R 4.1483 8.2492 118.6113 56.6576 31.4568 176.0745 *71 F 4.4936 8.3192 119.0571 57.0213 39.9799 175.6101 *72 K 4.1936 8.3092 124.8769 54.9638 33.4871 176.2508 *73 L 4.2136 8.1792 121.7820 54.7415 42.8118 177.4765 *74 R 4.2136 8.2492 119.8517 56.6862 31.3211 176.0239 *75 I 4.0436 8.0192 118.5990 60.3991 37.4494 176.0786 *76 Q 4.2136 8.3392 121.5980 55.7341 29.9249 175.7964 *77 T 4.2236 8.1692 112.9979 61.5303 70.4838 174.4964 *78 T 4.2236 8.1692 116.4517 61.2545 70.4698 174.2087 *79 E 4.2513 8.3859 117.9811 55.6523 31.7276 175.8616 *80 G 3.7995 8.3492 110.6917 46.2217 0.0000 174.1690 *81 Y 4.3319 8.1392 120.9535 57.3051 38.8691 175.2595 *82 D 4.5136 8.3592 121.4939 53.1630 41.8978 174.2159 *83 P 4.2936 0.0000 0.0000 62.4016 32.7452 177.1101 *84 K 4.1936 8.3092 122.5504 55.0897 33.6004 175.9930 *85 D 4.4908 8.2576 117.8854 52.9523 41.7105 175.1736 *86 A 4.1825 8.2592 124.8491 52.5898 20.1555 177.4508 *87 L 4.1483 8.1792 120.3049 54.6150 42.9660 177.5122 *88 K 4.1936 8.3092 122.9193 55.0616 33.6267 176.0094 *89 N 4.5908 8.3176 116.1204 52.0347 39.5050 174.0736 *90 A 4.1825 8.2592 123.9349 52.8200 20.2462 177.2530 *91 C 4.3583 8.3392 117.1620 58.2700 29.9599 174.1115 *92 N 4.6136 8.4192 119.5787 52.8268 39.1707 175.0435 *93 S 4.3436 8.3292 117.4521 58.5729 64.3632 174.3239 *94 I 4.0436 8.0192 120.9963 60.3569 37.1943 176.1239 *95 I 4.0436 8.0192 121.0288 60.3694 37.2817 175.8094 *96 N 4.6136 8.4192 120.2689 52.6452 39.4152 175.0101 *97 K 4.1936 8.3092 122.4933 54.9638 33.7809 176.2508 *98 L 4.2413 8.1259 119.4761 54.0091 42.8118 176.8616 *99 G 3.7766 8.2476 107.8305 45.3224 0.0000 173.7736 *100 A 4.0908 8.2592 125.3830 52.5898 20.1721 177.4173 *101 L 4.1483 8.1792 120.3049 54.6150 42.9660 177.5122 *102 K 4.1936 8.3092 122.9193 55.3044 33.6267 176.3964 *103 T 4.2236 8.1692 113.9337 61.2876 70.3649 174.1094 *104 N 4.6136 8.4192 121.3231 52.7409 39.6100 174.8724 *105 F 4.4936 8.3192 119.3605 57.1250 40.0748 175.3087 *106 E 4.2236 8.4392 119.4900 56.6378 31.5014 176.3964 *107 T 4.2236 8.1692 113.8736 61.2545 70.5088 174.2087 *108 E 4.2236 8.4392 120.2869 56.1273 31.7276 176.2994 *109 W 4.5336 8.2692 122.2850 56.7113 30.3296 175.5094 *110 N 4.6136 8.4192 118.3372 52.6842 39.0244 174.8508 *111 L 4.2136 8.1792 121.1194 54.7816 42.9845 177.2786 *112 Q 4.2136 8.3392 119.8976 55.7341 30.0332 175.7964 *113 T 4.2236 8.1692 112.9979 61.1898 70.4838 174.3508 *114 L 4.2136 8.1792 124.2999 54.5824 41.6354 176.4053 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 M 8.40 4.29 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 *2 N 8.28 4.41 0.00 2.56 2.66 0.00 0.00 6.84 6.57 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 *3 A 8.43 4.18 1.24 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 0.00 0.00 0.00 *4 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *5 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *6 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *7 F 8.32 4.49 0.00 2.04 2.13 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 *8 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *9 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *10 F 8.32 4.49 0.00 2.04 2.13 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 *11 L 8.18 4.21 0.00 1.40 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *12 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *13 G 8.35 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 0.00 0.00 0.00 *14 E 8.39 4.16 0.00 1.75 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 2.13 2.38 0.00 *15 G 8.35 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 0.00 0.00 0.00 *16 E 8.44 4.13 0.00 1.75 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 2.13 2.37 0.00 *17 S 8.33 4.34 0.00 3.59 3.71 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 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *19 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *21 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *22 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *23 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *24 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *25 T 8.17 4.22 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 *26 K 8.21 4.17 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *27 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *28 P 0.00 4.23 0.00 1.85 1.87 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *29 N 8.32 4.59 0.00 2.48 2.66 0.00 0.00 6.84 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 *30 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *31 V 8.05 3.93 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 *32 V 8.05 3.99 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 *33 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *34 T 8.17 4.22 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 *35 F 8.32 4.49 0.00 2.04 2.13 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 *36 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *37 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *38 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *39 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *40 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 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 *41 T 8.17 4.22 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 *42 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.35 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 0.00 0.00 0.00 *44 N 8.42 4.52 0.00 2.50 2.64 0.00 0.00 6.76 7.79 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 *45 L 8.18 4.21 0.00 1.40 1.51 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *46 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *47 R 8.15 4.19 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 *48 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *49 E 8.44 4.16 0.00 1.75 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 2.13 2.37 0.00 *50 L 8.18 4.21 0.00 1.40 1.51 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *51 L 8.18 4.21 0.00 1.40 1.51 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *52 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 8.06 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 *53 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *54 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *55 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *56 V 8.05 3.99 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 *57 L 8.18 4.21 0.00 1.40 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *58 F 8.22 4.47 0.00 2.04 2.13 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 *59 A 8.16 4.16 1.24 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 0.00 0.00 0.00 *60 A 8.26 4.12 1.24 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 0.00 0.00 0.00 *61 Y 8.14 4.36 0.00 2.09 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 0.00 0.00 0.00 0.00 *62 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *63 V 8.05 3.99 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 *64 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *65 H 8.44 4.60 0.00 2.67 2.91 0.00 5.84 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 *66 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *67 F 8.32 4.49 0.00 2.04 2.13 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 *68 F 8.22 4.47 0.00 2.04 2.13 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 *69 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *70 R 8.25 4.15 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *71 F 8.32 4.49 0.00 2.04 2.13 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 *72 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *73 L 8.18 4.21 0.00 1.40 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 8.25 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 *75 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *76 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *77 T 8.17 4.22 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 *78 T 8.17 4.22 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 *79 E 8.39 4.25 0.00 1.73 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 2.13 2.38 0.00 *80 G 8.35 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 0.00 0.00 0.00 *81 Y 8.14 4.33 0.00 2.09 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 0.00 0.00 0.00 0.00 *82 D 8.36 4.51 0.00 2.44 2.51 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 0.00 *83 P 0.00 4.29 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 *84 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *85 D 8.26 4.49 0.00 2.44 2.51 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 0.00 *86 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *87 L 8.18 4.15 0.00 1.42 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *88 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *89 N 8.32 4.59 0.00 2.48 2.66 0.00 0.00 6.84 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 *90 A 8.26 4.18 1.24 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 0.00 0.00 0.00 *91 C 8.34 4.36 0.00 2.71 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 *92 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.64 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 *93 S 8.33 4.34 0.00 3.59 3.71 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 *94 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *95 I 8.02 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 *96 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.44 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 *97 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *98 L 8.13 4.24 0.00 1.40 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *99 G 8.25 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.26 4.09 1.24 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 0.00 0.00 0.00 *101 L 8.18 4.15 0.00 1.42 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *102 K 8.31 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *103 T 8.17 4.22 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 *104 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.43 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 *105 F 8.32 4.49 0.00 2.04 2.13 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 *106 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *107 T 8.17 4.22 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 *108 E 8.44 4.22 0.00 1.73 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 2.13 2.37 0.00 *109 W 8.27 4.53 0.00 2.26 2.13 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 *110 N 8.42 4.61 0.00 2.48 2.66 0.00 0.00 6.76 7.79 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 *111 L 8.18 4.21 0.00 1.40 1.51 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 *112 Q 8.34 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 *113 T 8.17 4.22 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 *114 L 8.18 4.21 0.00 1.40 1.51 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.