NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 D 4.5684 8.2076 119.5546 52.7636 42.1791 175.8054 17 T 3.1278 7.4768 110.2542 60.2301 68.9367 170.2383 18 I 4.2422 8.8300 113.3288 63.4268 39.2119 178.8481 19 F 4.4721 8.1009 119.5208 60.6105 38.8220 177.6432 20 G 3.7218 9.0416 105.8465 48.0308 0.0000 175.8869 21 K 5.1696 7.5398 122.7130 58.5088 31.8729 179.5592 22 I 4.0652 7.5562 121.7514 63.4951 36.8811 178.3592 23 I 3.6475 7.9187 120.1477 64.2225 37.0596 178.0814 24 R 4.1045 8.3775 116.1779 56.0679 29.8543 176.8291 25 K 3.9368 7.9086 116.9479 57.2766 30.7442 176.4224 26 E 4.0817 8.9036 120.4863 58.9289 29.6012 176.9588 27 I 4.7219 7.2846 111.8101 57.6171 39.9894 173.0138 28 P 4.2435 0.0000 0.0000 63.1344 31.5357 175.3931 29 A 4.7526 8.0591 123.2163 50.5760 22.7037 176.3615 30 K 4.4494 8.3682 120.2650 55.1287 30.8942 174.8009 31 I 4.3320 7.7440 120.9754 61.7843 37.2715 176.0839 32 I 4.0893 8.5928 129.4330 63.4800 38.0014 176.3076 33 F 4.8336 7.8646 121.3734 57.2847 42.7392 172.5952 34 E 4.8598 7.0524 123.2113 55.0822 32.6887 173.4387 35 D 4.5420 8.5108 124.1917 51.6716 42.7490 175.5307 36 D 4.3263 8.7287 118.6872 55.8227 39.1104 177.7124 37 R 4.4148 7.9015 115.1160 56.8308 31.0331 175.1419 38 C 5.2287 8.8886 112.6784 56.7943 34.0724 172.6981 39 L 5.2758 9.0204 120.0749 53.2963 45.0653 174.5795 40 A 5.3809 9.4449 128.6559 50.1564 21.4307 175.0206 41 F 5.3392 8.4026 117.0299 55.1033 42.0057 173.9912 42 H 4.7366 9.2244 118.7556 55.9006 29.2437 174.9493 43 D 4.4491 9.2854 124.2578 53.7020 40.8896 176.2454 44 I 3.8899 8.6342 121.2615 63.3299 38.0809 176.3036 45 S 4.7983 8.1305 116.2936 55.8123 62.7625 172.0811 46 P 4.5770 0.0000 0.0000 63.4585 31.9398 177.0937 47 Q 4.5336 8.4189 117.9660 55.3319 29.3939 174.9251 48 A 4.5138 7.8123 118.3276 50.8030 21.8065 175.3040 49 P 4.3464 0.0000 0.0000 64.7695 31.7630 177.0742 50 T 4.7765 8.1157 114.2481 61.9325 72.2290 173.0715 51 H 5.4407 8.9551 126.0576 54.8627 33.3854 171.8646 52 F 5.2698 8.9154 120.1177 55.2904 42.3743 173.1292 53 L 4.9880 8.6649 118.0605 52.7430 45.3155 176.2199 54 V 4.7876 8.7474 123.7825 61.2435 33.6058 174.2380 55 I 5.0172 8.6528 122.2151 58.1332 40.8266 173.0722 56 P 4.9432 0.0000 0.0000 62.7036 31.5468 176.4482 57 K 4.1928 9.4415 123.9921 59.2927 32.6146 178.1332 58 K 4.0204 8.0519 120.2750 56.4237 32.7266 175.3157 59 H 4.2852 8.7371 125.8040 55.4042 30.2667 174.5169 60 I 4.4977 7.6611 127.3126 59.2889 39.8171 176.1074 61 S 4.7515 9.1888 120.6827 60.3292 63.2141 174.6927 62 Q 4.4631 7.5065 117.3463 53.5899 31.4306 175.0505 63 I 3.6308 8.5030 120.1477 64.1357 38.1983 178.0959 64 S 4.1254 7.9308 114.1898 60.7611 62.7170 175.4238 65 V 4.1918 7.6142 111.9339 60.6753 31.4956 175.2534 66 A 4.3353 7.6068 124.1721 51.6546 18.9390 178.5569 67 E 4.3272 8.8478 122.8220 55.7818 30.7091 177.9826 68 D 4.3550 8.5622 120.2871 57.6047 40.6114 178.6129 69 D 4.5292 7.9923 117.6382 56.5135 41.3800 177.6511 70 D 4.5015 8.3539 119.5043 55.7508 40.8413 177.7190 71 E 3.8709 7.8660 120.9552 59.8651 29.6319 179.3335 72 S 4.2271 8.0672 114.0515 60.9512 62.8095 176.5016 73 L 3.9327 7.8019 123.0254 58.0869 41.9455 178.4953 74 L 4.0804 8.1182 118.6747 58.2170 41.5317 179.9028 75 G 3.6531 8.0541 104.6898 47.6916 0.0000 175.3484 76 H 4.1645 8.1533 120.6520 59.2044 29.9263 177.2408 77 L 3.9516 8.6837 121.2812 58.0487 41.4328 179.3871 78 M 4.0096 7.8875 118.4331 58.6525 31.9402 178.9882 79 I 3.6993 7.9046 119.9485 64.1749 37.2150 178.7341 80 V 3.2629 8.0232 119.6966 65.6425 31.3094 178.1167 81 G 3.7237 8.3972 106.1503 47.9032 0.0000 175.7675 82 K 3.9652 8.1146 121.4986 59.1620 32.4202 179.5587 83 K 3.9242 7.9550 119.8346 59.6147 32.0308 179.0882 84 C 4.1665 8.5133 118.4443 62.1394 27.8427 176.1190 85 A 4.0056 8.0586 122.2277 55.0177 17.7952 179.5383 86 A 4.0149 7.6887 118.1491 55.1979 18.1683 179.5386 87 D 4.3138 8.2981 117.8754 57.2385 40.6261 178.0173 88 L 4.4680 7.8300 116.9846 54.2776 41.6907 177.2495 89 G 3.9271 7.9733 106.9365 46.5304 0.0000 174.6142 90 L 4.4792 7.9955 119.1673 54.3734 41.1683 178.6456 91 N 4.5863 8.1733 115.9954 54.7764 37.6774 175.7186 92 K 4.1796 8.4289 117.1447 55.9678 32.9567 175.2836 93 G 3.9571 6.8616 104.1576 43.6474 0.0000 171.8536 94 Y 4.8321 6.9595 116.7404 56.3938 40.9409 173.3707 95 R 4.6357 8.9040 119.8913 54.8245 32.9065 173.8519 96 M 4.9361 8.8419 126.4664 54.7279 33.1070 175.9286 97 V 4.6021 8.9173 122.8504 61.2385 35.8511 174.1383 98 V 4.7350 8.3052 124.5627 61.2997 34.5275 173.9626 99 N 4.8565 8.8335 124.9197 51.3828 40.6463 173.4707 100 E 4.2360 8.8193 124.6572 55.5853 31.2326 176.4253 101 G 4.0639 8.6776 116.1110 46.7204 0.0000 172.8233 102 S 4.1310 8.8468 111.4221 61.7586 62.4395 177.5424 103 D 4.3994 8.0877 117.8838 56.7882 40.8390 177.9100 104 G 3.6221 7.9414 107.1940 46.2239 0.0000 173.4516 105 G 3.6374 7.5410 107.4649 46.5239 0.0000 174.2850 106 Q 4.2365 8.4879 121.9025 55.4105 29.0343 175.5994 107 S 4.2507 8.8735 120.8546 60.7672 63.7591 174.2685 108 V 4.0150 7.5321 120.6604 60.8786 32.3162 176.0273 109 Y 4.7296 8.3837 127.8526 57.1010 37.1459 175.2162 110 H 5.0783 7.7650 118.1187 54.2944 33.3572 172.5201 111 V 3.8773 8.9047 128.1203 64.1643 31.7386 174.9855 112 H 5.0588 8.6680 122.2675 54.1851 31.7295 172.3181 113 L 4.5714 8.9951 125.1917 53.9596 43.3707 175.1284 114 H 4.8610 9.6122 125.7219 55.5383 30.4418 174.7485 115 V 4.4494 8.6892 122.2219 61.0198 34.0621 174.0407 116 L 5.0775 8.2445 127.6863 53.4054 45.1262 176.4587 117 G 4.3252 9.1837 108.6676 46.6010 0.0000 173.6364 118 G 4.1872 11.0820 108.3635 45.4274 0.0000 172.8174 119 R 4.4996 7.1130 113.5257 54.9237 32.0860 173.8555 120 Q 4.1089 8.4680 119.6523 56.1159 29.3792 175.2069 121 M 4.3681 8.4273 124.7817 54.7431 33.4904 174.9386 122 H 5.1847 8.3803 117.1158 53.8612 31.9276 173.3583 123 W 4.8288 8.6165 130.6973 54.9602 32.2983 173.9930 124 P 3.0470 0.0000 0.0000 60.7555 32.4003 174.7187 125 P 4.3954 0.0000 0.0000 62.0229 29.9123 176.6449 126 G 4.0120 7.6460 110.6794 46.6257 0.0000 172.3472 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 *16 D 8.21 4.57 0.00 2.62 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 17 T 7.48 3.13 4.11 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 1.21 0.00 0.00 18 I 8.83 4.24 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.04 0.90 0.00 0.00 19 F 8.10 4.47 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.04 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 21 K 7.54 5.17 0.00 2.00 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.57 7.81 22 I 7.56 4.07 1.68 0.00 0.00 0.61 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 1.66 0.20 0.00 0.00 23 I 7.92 3.65 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.90 0.00 0.00 24 R 8.38 4.10 0.00 2.01 1.96 0.00 3.31 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 25 K 7.91 3.94 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.38 7.81 26 E 8.90 4.08 0.00 2.12 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 2.32 2.24 0.00 27 I 7.28 4.72 1.85 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 1.42 1.18 0.90 0.00 0.00 28 P 0.00 4.24 0.00 2.19 2.09 0.00 3.69 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 1.98 1.96 0.00 29 A 8.06 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.37 4.45 0.00 1.86 1.92 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.46 7.81 31 I 7.74 4.33 1.88 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 1.37 0.59 0.94 0.00 0.00 32 I 8.59 4.09 1.60 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.43 0.60 0.00 0.00 33 F 7.86 4.83 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.05 4.86 0.00 1.77 1.46 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 2.01 2.33 0.00 35 D 8.51 4.54 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.73 4.33 0.00 2.79 2.87 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 37 R 7.90 4.41 0.00 2.13 2.18 0.00 2.21 0.00 0.00 2.99 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 38 C 8.89 5.23 0.00 3.23 3.15 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 39 L 9.02 5.28 0.00 1.78 1.58 0.97 0.83 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 40 A 9.44 5.38 1.31 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 41 F 8.40 5.34 0.00 3.10 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 42 H 9.22 4.74 0.00 3.11 3.36 0.00 5.65 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 43 D 9.29 4.45 0.00 2.27 2.22 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 44 I 8.63 3.89 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 1.02 0.00 0.00 45 S 8.13 4.80 0.00 3.89 3.85 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 46 P 0.00 4.58 0.00 2.41 2.24 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 47 Q 8.42 4.53 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 48 A 7.81 4.51 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 49 P 0.00 4.35 0.00 2.09 2.17 0.00 3.82 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 2.17 2.18 0.00 50 T 8.12 4.78 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 51 H 8.96 5.44 0.00 3.14 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.92 5.27 0.00 2.99 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 53 L 8.66 4.99 0.00 0.66 1.20 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.75 4.79 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 1.07 0.00 0.00 1.02 0.00 0.00 55 I 8.65 5.02 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.52 0.00 0.00 56 P 0.00 4.94 0.00 2.29 2.15 0.00 4.16 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 57 K 9.44 4.19 0.00 1.75 1.95 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.42 7.81 58 K 8.05 4.02 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.46 7.81 59 H 8.74 4.29 0.00 3.21 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.66 4.50 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 1.46 0.83 0.88 0.00 0.00 61 S 9.19 4.75 0.00 4.00 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 0.00 62 Q 7.51 4.46 0.00 2.40 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 63 I 8.50 3.63 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.97 0.00 0.00 64 S 7.93 4.13 0.00 3.94 3.98 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 0.00 0.00 0.00 65 V 7.61 4.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.94 0.00 0.00 66 A 7.61 4.34 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 67 E 8.85 4.33 0.00 2.07 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 2.33 2.28 0.00 68 D 8.56 4.36 0.00 2.69 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 69 D 7.99 4.53 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.35 4.50 0.00 2.96 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 71 E 7.87 3.87 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 2.33 2.41 0.00 72 S 8.07 4.23 0.00 3.91 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 73 L 7.80 3.93 0.00 1.79 1.92 0.97 0.62 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 74 L 8.12 4.08 0.00 1.91 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.05 3.65 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 0.00 0.00 0.00 76 H 8.15 4.16 0.00 3.44 3.53 0.00 5.80 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 77 L 8.68 3.95 0.00 1.78 1.70 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.89 4.01 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 79 I 7.90 3.70 1.92 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 1.59 0.88 0.85 0.00 0.00 80 V 8.02 3.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.54 0.00 0.00 81 G 8.40 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 82 K 8.11 3.97 0.00 2.13 2.26 0.00 1.37 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 83 K 7.95 3.92 0.00 1.72 1.72 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.55 7.81 84 C 8.51 4.17 0.00 2.70 2.25 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 0.00 85 A 8.06 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.69 4.01 1.41 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 87 D 8.30 4.31 0.00 2.74 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 88 L 7.83 4.47 0.00 1.62 1.72 0.68 1.14 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 89 G 7.97 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 90 L 8.00 4.48 0.00 1.98 1.89 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.17 4.59 0.00 2.83 2.98 0.00 0.00 6.27 7.13 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 92 K 8.43 4.18 0.00 1.78 1.90 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 93 G 6.86 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 94 Y 6.96 4.83 0.00 2.99 2.92 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 95 R 8.90 4.64 0.00 1.90 1.82 0.00 3.14 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 96 M 8.84 4.94 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 97 V 8.92 4.60 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 0.94 0.00 0.00 98 V 8.31 4.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 99 N 8.83 4.86 0.00 2.77 2.77 0.00 0.00 6.97 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 0.00 100 E 8.82 4.24 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 2.31 0.00 101 G 8.68 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 0.00 102 S 8.85 4.13 0.00 3.92 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 0.00 103 D 8.09 4.40 0.00 2.71 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 0.00 104 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.54 3.64 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 0.00 106 Q 8.49 4.24 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 107 S 8.87 4.25 0.00 4.02 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 0.00 108 V 7.53 4.02 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 0.10 0.00 0.00 0.45 0.00 0.00 109 Y 8.38 4.73 0.00 3.06 2.92 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 0.00 110 H 7.77 5.08 0.00 3.17 3.42 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.90 3.88 2.10 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 0.83 0.00 0.00 0.96 0.00 0.00 112 H 8.67 5.06 0.00 3.14 3.46 0.00 5.57 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 0.00 113 L 9.00 4.57 0.00 1.71 1.76 0.89 0.90 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 0.00 114 H 9.61 4.86 0.00 2.98 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.69 4.45 0.67 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 0.60 0.00 0.00 0.29 0.00 0.00 116 L 8.24 5.08 0.00 1.64 1.43 0.86 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.18 4.33 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 0.00 0.00 0.00 118 G 11.08 4.19 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 0.00 119 R 7.11 4.50 0.00 1.88 1.91 0.00 3.05 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 120 Q 8.47 4.11 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 121 M 8.43 4.37 0.00 2.07 2.01 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 2.58 2.51 0.00 122 H 8.38 5.18 0.00 3.14 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.62 4.83 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.05 0.00 1.66 1.35 0.00 3.70 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 1.75 1.71 0.00 125 P 0.00 4.40 0.00 2.14 2.19 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 126 G 7.65 4.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.