NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3053 8.0433 122.7205 55.1028 43.3808 175.0787 3 Y 4.9181 8.5121 123.8037 55.7111 41.4263 173.2153 4 L 4.7151 8.9703 125.3221 53.6859 43.3868 176.4159 5 T 4.8832 8.4965 114.0213 60.7450 69.6907 174.2252 6 Q 4.6446 7.7503 119.3247 55.4443 32.2445 172.9246 7 R 4.9599 8.3458 120.3469 54.3673 32.0483 175.2812 8 L 4.2251 8.5745 127.7101 54.5012 42.2086 177.2544 9 E 4.0012 8.8926 124.5080 58.1547 29.8694 176.1244 10 I 4.3327 7.3592 118.5331 58.1414 37.9431 173.1807 11 P 4.2971 0.0000 0.0000 62.6590 31.8767 175.7527 12 A 4.4586 7.7513 121.0212 49.4751 22.0214 175.9983 13 A 3.8896 8.3201 122.0046 52.3240 18.8157 178.0104 14 A 4.4912 8.5168 125.5220 52.6597 19.0413 177.2427 15 T 4.6990 8.8204 109.8796 61.7853 70.9827 173.2211 16 A 4.6746 7.6838 122.7626 51.6780 22.9512 174.4836 17 S 5.2957 8.3171 112.3999 57.4707 67.1869 173.5524 18 V 4.5953 8.7541 119.4135 60.8150 34.7557 173.7470 19 T 4.9504 8.6822 122.0769 62.1422 69.3541 173.5873 20 L 4.9788 8.7047 127.1073 51.9391 45.4248 175.2814 21 P 4.8861 0.0000 0.0000 61.9434 32.3214 177.0267 22 I 3.6954 9.2347 119.4966 64.1816 37.4260 177.6640 23 D 4.2472 8.1261 118.6266 55.6411 39.6533 177.7181 24 V 4.0061 7.6874 119.3684 64.8321 32.0676 177.4003 25 R 4.1943 7.5773 115.9928 57.5263 29.6066 177.8697 26 V 4.2982 7.4658 110.6978 60.8425 32.5801 175.5449 27 K 4.5289 7.8483 120.2082 55.1571 33.6222 176.7178 28 S 4.5086 8.4869 115.6533 59.1437 64.1830 173.9274 29 R 5.8088 7.8703 119.1264 53.1447 32.7510 175.4698 30 V 4.2591 7.9682 122.2946 61.2514 33.8973 170.3416 31 K 4.7914 8.7456 124.0968 55.6244 33.1733 175.8862 32 V 4.7261 8.7707 120.0794 59.6135 36.1981 174.3884 33 T 4.9559 8.1781 111.4825 59.6438 70.6056 174.2378 34 L 4.1628 8.7274 126.6956 54.6748 42.2884 178.1072 35 N 4.4782 8.7357 117.8491 55.6902 38.4955 176.0086 36 D 4.6536 8.0766 116.5261 52.9871 39.7773 176.1820 37 G 4.0878 8.1062 109.5812 45.7455 0.0000 174.9693 38 R 4.0984 7.9489 118.6334 56.2594 31.0318 176.6975 39 D 4.9263 8.6119 122.2272 54.6345 42.1095 175.2235 40 A 4.5171 8.4760 120.1612 51.1699 23.3194 175.5063 41 G 4.3314 8.3504 106.6419 44.2941 0.0000 172.1174 42 L 4.8935 8.8825 124.7753 53.1907 43.1202 177.1541 43 L 5.1984 8.6149 124.3807 53.6727 41.4586 175.8544 44 L 4.8087 7.9896 118.6897 52.5409 43.9361 177.0817 45 P 4.3684 0.0000 0.0000 62.4275 31.9487 176.5274 46 R 3.9832 8.2779 119.7303 57.5612 30.5562 176.8927 47 G 3.8963 8.6845 105.1893 46.0063 0.0000 173.1154 48 L 4.4986 7.6823 118.7496 52.6858 43.2245 175.4820 49 L 4.5524 8.2629 125.2229 53.2543 43.3848 175.6225 50 L 4.4557 8.5720 128.0031 54.6103 42.1041 177.0106 51 R 4.5590 9.1126 123.7885 53.9578 32.7440 176.5934 52 G 3.8485 8.7196 111.4002 47.1410 0.0000 172.8464 53 G 4.1572 9.2837 113.4629 45.9202 0.0000 174.4037 54 D 4.5702 8.3173 119.1375 54.4481 42.4707 175.9517 55 V 4.8498 8.3459 120.5893 61.3203 34.3141 174.3403 56 L 5.2678 9.1494 128.2280 53.6175 44.0662 175.5601 57 S 5.6818 9.0868 115.4097 55.3536 65.0555 173.0972 58 N 4.7041 8.2774 121.6824 51.5153 38.4314 175.2667 59 E 4.0373 9.0479 121.0515 59.6079 29.4524 178.2674 60 E 4.0424 7.7433 115.5930 58.9106 30.2599 176.9435 61 G 3.2093 6.4136 107.7442 45.1609 0.0000 173.9980 62 T 4.4803 7.9325 108.5663 60.4548 70.2058 173.1163 63 E 4.3849 7.2842 123.4428 54.6481 33.1372 173.7926 64 F 5.2568 9.2839 126.2515 55.8822 42.1419 174.2505 65 V 4.5825 8.9282 125.6599 61.3089 33.2357 174.5240 66 Q 4.7097 9.1925 130.7054 55.6642 30.3394 174.6726 67 V 4.5520 8.8452 127.4677 62.2908 33.3567 174.6632 68 I 4.9134 8.7230 127.5342 59.1865 41.0040 174.4817 69 A 4.6234 8.7138 128.6320 51.6672 18.9302 177.2638 70 A 4.2675 8.9083 125.3704 51.7617 20.2416 176.0447 71 D 4.9948 8.5208 119.4419 54.2287 41.5098 176.1288 72 E 4.8014 9.5556 123.3717 53.9766 34.2544 175.2852 73 E 4.1040 8.7593 120.8184 57.0714 30.3912 176.3782 74 V 4.6800 7.7105 116.9275 59.4583 36.5738 174.6117 75 S 4.8300 7.9920 116.9036 56.8233 65.4939 173.9659 76 V 4.4473 8.2700 123.6401 61.2286 34.6959 175.0407 77 V 4.6270 8.4230 125.3360 60.8725 34.0903 173.9269 78 R 5.1069 8.1571 125.9927 53.3968 33.8857 175.0175 79 C 4.7706 8.4117 118.1445 59.2265 34.2273 174.0083 80 D 4.2801 9.3966 126.9348 57.4668 40.6088 176.4795 81 D 4.6168 7.5022 118.3333 52.5554 40.8496 174.1036 82 P 4.3835 0.0000 0.0000 65.5664 31.8181 178.8956 83 F 4.3994 8.3901 118.9593 58.6931 38.9851 176.3703 *85 L 4.0621 8.1169 120.2810 54.1642 43.6088 178.8049 86 A 3.9031 8.3849 120.5002 55.4861 18.1406 179.9360 87 K 3.9990 7.5837 116.2081 59.2737 32.0563 179.5831 88 A 3.9487 7.5059 120.7747 55.2866 18.4026 179.2741 89 C 4.1280 8.8180 115.9096 63.0677 28.1252 175.7569 90 Y 4.0612 8.1841 120.9297 60.5463 38.2434 177.9622 91 A 3.8230 8.2397 121.7223 55.1649 18.5688 179.6658 92 L 3.9000 8.3933 118.1260 57.7240 41.6182 179.9580 93 G 3.5357 8.4576 106.1159 47.9019 0.0000 175.5344 94 N 4.1330 7.8304 117.7037 55.0727 38.4842 176.6398 95 R 4.2938 7.0573 117.0872 54.9846 30.6996 175.6328 96 H 4.0277 7.7366 114.8119 56.7401 26.7562 174.8304 97 V 4.0100 7.6375 119.3505 61.4671 32.0975 173.9959 98 P 4.4581 0.0000 0.0000 63.0790 31.9246 175.4927 99 L 5.2567 8.5654 125.2175 53.4153 46.1046 174.2947 100 Q 4.9202 9.0976 126.4869 54.6965 30.8243 174.2877 101 I 4.5997 8.3648 126.3468 58.9370 40.5695 173.4818 *103 P 4.0146 0.0000 0.0000 63.5801 31.9875 178.2258 104 G 4.0816 9.1602 110.8404 45.5421 0.0000 172.1144 105 E 4.9917 7.6249 117.7936 54.6512 33.2849 174.5277 106 L 5.2720 8.4795 122.7654 52.7336 46.6524 175.5096 107 R 5.5757 8.7896 120.0063 54.1008 35.0708 173.4084 108 Y 4.7275 7.5427 116.8818 55.7436 41.2335 172.9352 109 H 4.1324 8.9785 120.0993 57.0566 30.3006 174.0492 110 H 4.0666 8.1020 124.9304 56.3504 30.4820 174.4500 111 D 4.2422 8.5713 122.9330 52.8204 42.3883 174.9216 112 H 4.1410 8.9076 126.7792 58.2886 28.4849 177.4320 113 V 3.6014 7.8563 117.6528 66.1692 31.3988 177.5691 114 L 4.1323 8.5385 117.7738 57.7505 41.3177 178.7755 115 D 4.7162 8.3974 118.9718 57.5682 40.6650 181.0330 116 D 4.3541 8.0107 117.6078 54.3945 41.2199 177.7224 *118 L 4.5122 8.0147 121.1164 55.0039 43.6674 178.5116 119 R 4.2800 7.9689 116.1877 56.5365 29.5650 177.0648 120 Q 4.5543 7.9342 116.2520 55.5439 30.8720 176.0776 121 F 4.2281 8.1814 118.6702 58.7596 39.6174 176.2453 122 G 4.0865 8.4917 108.0279 45.4526 0.0000 173.8604 123 L 4.0378 7.6597 118.8419 55.4911 42.2214 176.3735 124 T 4.4430 8.3215 118.1939 62.6217 70.1096 173.8574 125 V 4.6858 8.4510 126.2654 61.5266 34.1690 174.3927 126 T 4.8056 8.3517 118.3374 59.9130 72.1391 172.5199 127 F 5.0471 8.3007 121.8438 56.7618 42.8461 174.0772 128 G 3.5800 6.2770 108.5176 45.4166 0.0000 172.8440 129 Q 4.4880 8.4799 121.4383 55.3663 28.9301 175.3254 130 L 4.9472 8.7264 124.0110 51.7989 46.7821 174.4071 131 P 5.4883 0.0000 0.0000 62.5163 32.2398 175.7110 132 F 5.2428 8.8208 123.7935 56.8343 41.0465 174.4227 133 E 4.3313 10.1922 130.0512 53.4466 29.6604 174.1099 134 P 4.4772 0.0000 0.0000 61.7850 32.6925 176.2520 135 E 4.1454 9.0509 121.0760 56.1861 29.9255 176.9509 136 A 3.9439 8.6736 124.9419 53.3212 18.5911 176.5040 137 G 3.3723 8.9434 108.8638 44.7889 0.0000 174.0320 138 A 4.0536 7.6634 128.0683 53.1379 19.1131 175.9659 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 L 8.04 4.31 0.00 1.63 1.50 0.86 0.50 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 3 Y 8.51 4.92 0.00 2.98 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 4 L 8.97 4.72 0.00 1.59 1.62 0.91 0.70 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 5 T 8.50 4.88 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 1.22 0.00 0.00 6 Q 7.75 4.64 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 7 R 8.35 4.96 0.00 1.82 1.85 0.00 3.31 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 8 L 8.57 4.23 0.00 1.76 1.78 1.25 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.89 4.00 0.00 1.91 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 2.29 2.39 0.00 10 I 7.36 4.33 1.86 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 1.40 0.79 0.88 0.00 0.00 11 P 0.00 4.30 0.00 1.99 1.98 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 12 A 7.75 4.46 0.09 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 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.32 3.89 1.20 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 0.00 0.00 14 A 8.52 4.49 1.34 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 0.00 0.00 0.00 15 T 8.82 4.70 4.29 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 1.38 0.00 0.00 16 A 7.68 4.67 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 17 S 8.32 5.30 0.00 3.96 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 18 V 8.75 4.60 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 0.84 0.00 0.00 0.93 0.00 0.00 19 T 8.68 4.95 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 1.28 0.00 0.00 20 L 8.70 4.98 0.00 1.56 1.53 0.93 0.87 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 21 P 0.00 4.89 0.00 2.43 2.22 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 22 I 9.23 3.70 1.79 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 1.35 1.13 1.15 0.00 0.00 23 D 8.13 4.25 0.00 2.88 2.80 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 24 V 7.69 4.01 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 1.05 0.00 0.00 0.94 0.00 0.00 25 R 7.58 4.19 0.00 1.73 2.10 0.00 3.43 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 26 V 7.47 4.30 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 0.76 0.00 0.00 1.02 0.00 0.00 27 K 7.85 4.53 0.00 1.86 1.73 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.52 7.81 28 S 8.49 4.51 0.00 4.29 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 0.00 29 R 7.87 5.81 0.00 1.68 1.87 0.00 3.33 0.00 0.00 3.94 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 30 V 7.97 4.26 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 0.72 0.00 0.00 0.94 0.00 0.00 31 K 8.75 4.79 0.00 1.79 1.75 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.62 7.81 32 V 8.77 4.73 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 0.72 0.00 0.00 0.98 0.00 0.00 33 T 8.18 4.96 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 1.28 0.00 0.00 34 L 8.73 4.16 0.00 1.71 1.75 0.96 0.64 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 35 N 8.74 4.48 0.00 2.71 2.88 0.00 0.00 6.94 8.34 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 36 D 8.08 4.65 0.00 2.75 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 37 G 8.11 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.95 4.10 0.00 1.78 1.82 0.00 3.05 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 39 D 8.61 4.93 0.00 2.50 2.52 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 40 A 8.48 4.52 1.13 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 0.00 0.00 41 G 8.35 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 42 L 8.88 4.89 0.00 1.63 1.63 0.93 0.72 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 43 L 8.61 5.20 0.00 1.64 1.55 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.99 4.81 0.00 1.57 1.59 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.37 0.00 2.17 2.05 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 46 R 8.28 3.98 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 47 G 8.68 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 48 L 7.68 4.50 0.00 1.64 1.60 0.97 0.94 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 49 L 8.26 4.55 0.00 1.59 1.55 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.57 4.46 0.00 1.58 1.61 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 R 9.11 4.56 0.00 1.71 1.81 0.00 3.27 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 52 G 8.72 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 0.00 0.00 0.00 53 G 9.28 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 54 D 8.32 4.57 0.00 2.68 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 55 V 8.35 4.85 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 1.16 0.00 0.00 1.00 0.00 0.00 56 L 9.15 5.27 0.00 1.61 1.57 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.09 5.68 0.00 3.98 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 58 N 8.28 4.70 0.00 2.85 2.92 0.00 0.00 6.33 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 59 E 9.05 4.04 0.00 1.91 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 2.29 2.39 0.00 60 E 7.74 4.04 0.00 2.10 2.00 0.00 0.00 0.00 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 2.20 0.00 61 G 6.41 3.21 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 0.00 0.00 0.00 0.00 62 T 7.93 4.48 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 63 E 7.28 4.38 0.00 1.90 1.58 0.00 0.00 0.00 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 2.30 0.00 64 F 9.28 5.26 0.00 3.19 2.94 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 65 V 8.93 4.58 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 0.86 0.00 0.00 0.92 0.00 0.00 66 Q 9.19 4.71 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 67 V 8.85 4.55 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 0.89 0.00 0.00 0.97 0.00 0.00 68 I 8.72 4.91 1.88 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 1.17 0.84 0.92 0.00 0.00 69 A 8.71 4.62 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 A 8.91 4.27 1.34 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 0.00 0.00 0.00 71 D 8.52 4.99 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.56 4.80 0.00 1.82 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 2.27 2.49 0.00 73 E 8.76 4.10 0.00 2.10 2.35 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 2.53 2.54 0.00 74 V 7.71 4.68 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 0.50 0.00 0.00 0.65 0.00 0.00 75 S 7.99 4.83 0.00 2.72 3.41 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 76 V 8.27 4.45 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 0.87 0.00 0.00 0.76 0.00 0.00 77 V 8.42 4.63 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 1.05 0.00 0.00 1.02 0.00 0.00 78 R 8.16 5.11 0.00 1.67 1.76 0.00 3.36 0.00 0.00 3.79 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 79 C 8.41 4.77 0.00 2.94 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 80 D 9.40 4.28 0.00 2.69 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 81 D 7.50 4.62 0.00 2.80 2.64 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 82 P 0.00 4.38 0.00 2.30 2.31 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 83 F 8.39 4.40 0.00 3.00 3.33 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 *85 L 8.12 4.06 0.00 1.92 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.38 3.90 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 87 K 7.58 4.00 0.00 1.35 2.01 0.00 1.94 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.02 7.81 88 A 7.51 3.95 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 89 C 8.82 4.13 0.00 3.14 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 90 Y 8.18 4.06 0.00 3.10 3.19 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 91 A 8.24 3.82 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 0.00 0.00 0.00 0.00 0.00 92 L 8.39 3.90 0.00 1.61 1.57 0.76 0.50 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 93 G 8.46 3.54 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 0.00 94 N 7.83 4.13 0.00 2.51 2.66 0.00 0.00 7.01 7.30 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 95 R 7.06 4.29 0.00 1.73 1.87 0.00 3.23 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 96 H 7.74 4.03 0.00 3.30 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.64 4.01 1.95 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 0.66 0.00 0.00 0.78 0.00 0.00 98 P 0.00 4.46 0.00 2.22 2.04 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 2.12 2.14 0.00 99 L 8.57 5.26 0.00 1.98 1.50 1.14 0.69 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 0.00 100 Q 9.10 4.92 0.00 2.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 101 I 8.36 4.60 2.02 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 1.27 0.85 0.93 0.00 0.00 *103 P 0.00 4.01 0.00 2.21 2.03 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 104 G 9.16 4.08 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 0.00 0.00 0.00 105 E 7.62 4.99 0.00 1.97 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 2.20 2.26 0.00 106 L 8.48 5.27 0.00 1.66 1.57 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.79 5.58 0.00 1.74 1.48 0.00 3.50 0.00 0.00 3.29 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 108 Y 7.54 4.73 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 109 H 8.98 4.13 0.00 3.25 3.45 0.00 5.95 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.10 4.07 0.00 3.40 3.22 0.00 5.89 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 0.00 111 D 8.57 4.24 0.00 2.73 2.63 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 0.00 112 H 8.91 4.14 0.00 3.17 3.34 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.86 3.60 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 0.87 0.00 0.00 0.94 0.00 0.00 114 L 8.54 4.13 0.00 1.94 1.64 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.40 4.72 0.00 2.91 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 0.00 116 D 8.01 4.35 0.00 2.67 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 *118 L 8.01 4.51 0.00 1.97 1.84 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.97 4.28 0.00 1.99 1.98 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 120 Q 7.93 4.55 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.61 0.00 121 F 8.18 4.23 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 0.00 122 G 8.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.66 4.04 0.00 1.85 1.62 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.32 4.44 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 1.22 0.00 0.00 125 V 8.45 4.69 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 0.99 0.00 0.00 126 T 8.35 4.81 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 0.00 127 F 8.30 5.05 0.00 2.90 2.79 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 0.00 0.00 0.00 128 G 6.28 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.49 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 130 L 8.73 4.95 0.00 1.39 1.43 0.81 1.07 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 0.00 131 P 0.00 5.49 0.00 2.10 2.07 0.00 3.29 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 132 F 8.82 5.24 0.00 2.78 3.21 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 0.00 133 E 10.19 4.33 0.00 1.77 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 2.21 2.33 0.00 134 P 0.00 4.48 0.00 1.87 1.37 0.00 3.34 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 135 E 9.05 4.15 0.00 1.81 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 2.58 2.43 0.00 136 A 8.67 3.94 1.21 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 0.00 0.00 0.00 137 G 8.94 3.37 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 0.00 138 A 7.66 4.05 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 * Residues marked with a * may have inaccurate shift predictions.