NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0651 8.0244 114.2694 61.0674 38.8365 175.0902 4 R 4.1341 8.0021 121.5256 53.1937 31.8325 172.3716 5 P 4.4504 0.0000 0.0000 62.5089 33.7959 175.6728 6 L 4.5006 8.1343 122.9100 54.1572 40.9483 172.9699 7 H 4.3051 8.2385 121.2490 56.0974 30.2659 175.3515 8 D 4.7062 9.3520 127.0924 55.5931 41.8772 174.5665 9 R 4.3938 7.4759 114.3218 56.2891 30.8854 175.9186 10 V 4.6396 9.0469 120.6442 61.2021 35.6060 174.0320 11 I 5.0733 8.8640 126.4172 59.7152 40.1779 175.1374 12 V 5.1225 8.9368 119.4213 59.5721 36.8153 174.0679 13 K 4.7713 8.7858 121.8010 55.1335 34.5467 175.9585 14 R 4.6387 8.5897 124.7535 56.1330 30.9000 176.0753 15 K 4.3740 8.8489 125.9655 55.6746 32.9261 176.9430 16 E 3.8554 8.9271 121.4765 56.6336 29.6362 177.2771 17 V 3.6302 8.5125 122.6292 64.8064 32.5354 175.6938 18 E 3.6290 8.8841 126.5314 56.9289 27.4726 176.1794 19 T 3.8413 7.6059 115.9807 63.9504 68.8878 175.6404 20 K 4.7392 8.8172 125.7482 57.4023 32.6109 179.1324 21 S 4.3157 7.9484 113.2186 59.6698 63.5632 175.3746 22 A 4.2886 7.9768 122.6022 53.1420 17.7436 178.2892 23 G 4.0625 7.1885 105.1033 45.2662 0.0000 173.8642 24 G 4.1737 7.6641 104.5245 44.7726 0.0000 176.2435 25 I 3.8918 8.5467 124.6631 63.4985 36.9669 176.7971 26 V 3.6051 7.6070 119.9138 62.6247 31.8963 174.3714 27 L 4.3887 8.3314 128.7804 54.5069 42.5813 175.8303 28 T 4.2500 8.3858 121.7878 61.0454 67.5865 175.4516 29 G 3.5609 8.8912 118.7523 46.7967 0.0000 173.5064 30 S 5.0744 6.9771 117.0674 58.4285 65.3564 176.7759 31 A 4.4803 9.0383 122.0212 51.2352 20.5248 177.0322 32 A 3.8432 8.8162 116.8778 52.1361 16.3723 178.6183 33 A 4.5871 7.9729 123.8059 52.7955 19.5410 176.0390 34 K 4.3365 8.0094 109.5142 55.2417 34.9425 176.2758 35 S 5.1014 8.7674 114.9843 58.1716 66.6051 177.5857 36 T 3.9000 7.8723 117.7773 62.7032 70.0107 174.0631 37 R 4.6888 7.3498 121.7856 54.5815 32.8247 175.4355 38 G 4.6594 8.9889 108.7244 44.9874 0.0000 170.7984 39 E 5.1709 9.1176 123.0799 54.0485 31.9102 175.2833 40 V 3.9657 8.9835 128.1986 63.2957 32.1633 176.0939 41 L 4.5035 8.7504 127.4056 56.3415 43.3405 176.6398 42 A 4.6725 7.5199 117.4062 50.8829 22.4970 175.4061 43 V 4.6288 8.2105 118.7385 60.7444 35.0281 175.4322 44 G 4.0450 8.1283 112.0357 44.8655 0.0000 173.4922 45 N 4.7718 8.2936 116.9461 52.7008 38.5672 176.5449 46 G 3.6558 7.8568 109.6266 46.3133 0.0000 173.3419 47 R 4.7742 8.3778 124.9900 54.8076 31.7048 177.0757 48 I 4.1854 7.8431 131.8898 60.1028 36.3631 175.6446 49 L 4.6734 6.8840 118.4384 54.3936 46.3042 176.6877 50 E 3.7357 9.0411 119.9570 56.2764 27.8969 176.0732 51 N 4.4608 8.3772 119.5332 54.6643 39.4242 175.3383 52 G 3.7581 7.7565 107.5427 44.9834 0.0000 173.4719 53 E 3.7158 7.8582 121.9897 55.4126 28.9448 173.9503 54 V 3.8524 8.2737 119.4840 63.3455 31.9757 175.7494 55 K 4.8099 8.5465 127.2948 54.2334 35.3257 174.1075 56 P 4.7610 0.0000 0.0000 62.8710 32.7534 175.1336 57 L 4.7836 8.2254 119.4747 53.2301 43.5558 176.8034 58 D 4.7078 8.7633 120.7350 54.7073 41.0136 176.1573 59 V 4.4879 7.1237 110.4432 60.0691 34.1328 174.5838 60 K 4.4466 7.8123 118.7059 55.6736 34.8796 175.0210 61 V 3.7388 8.1390 119.9049 64.4296 31.6678 176.2917 62 G 3.9965 8.8193 115.8859 45.1993 0.0000 173.3454 63 D 4.6405 7.7065 119.7780 54.2796 42.4384 175.4941 64 I 4.9076 8.2656 121.1992 60.0035 39.2170 175.5007 65 V 4.6682 8.9865 121.0867 59.6600 34.9198 174.9950 66 I 4.7431 8.8053 123.8694 59.4734 39.8592 174.8415 67 F 5.2861 7.9038 120.6029 55.0858 41.4519 174.4521 68 N 4.6271 8.8959 119.4693 53.0878 38.0329 174.3447 69 D 4.6536 8.5781 125.3211 54.9893 43.2777 176.2094 70 G 4.1679 8.5119 107.5815 44.7658 0.0000 175.4393 71 Y 4.0982 8.8303 125.5428 58.1925 39.6514 177.1219 72 G 3.7393 7.7798 114.2772 47.2976 0.0000 176.8134 73 V 2.7384 8.8021 121.9026 62.5454 29.6356 174.3270 74 K 4.4534 8.3462 131.6885 55.1302 35.0424 174.8332 75 S 5.3045 7.8687 114.8144 57.1385 65.8209 172.2572 76 E 4.6421 8.3094 117.9363 55.7082 34.4121 175.3759 77 K 4.5489 9.0350 124.8838 54.6582 32.1697 173.7123 78 I 4.2535 8.5088 125.6082 60.0090 38.8913 175.7510 79 D 4.3942 9.8138 122.5139 54.8694 39.6553 173.4974 80 N 4.5589 8.3954 113.8696 53.3157 38.0172 173.9010 81 E 4.3914 8.0101 116.7853 56.1316 30.7703 174.9777 82 E 4.7404 8.5058 120.4379 56.2000 30.4615 176.5654 83 V 4.4549 8.8040 118.6426 59.3453 34.6202 175.2420 84 L 4.6261 8.7523 125.6142 54.5983 43.1172 176.0156 85 I 5.0920 8.5437 123.6485 59.7349 40.8459 174.4870 86 M 5.1376 8.7084 123.3766 53.6045 35.5814 174.7060 87 S 4.6925 9.0772 114.6517 57.1118 64.6168 175.0323 88 E 3.9971 8.9671 121.6177 59.2852 29.3884 178.7855 89 S 4.3928 7.5238 112.0440 60.3277 63.1689 174.8910 90 D 4.5333 8.0830 120.2363 56.0187 40.9888 176.1093 91 I 4.7032 7.5663 120.6981 60.4318 37.9781 175.6551 92 L 4.2833 8.9229 125.6920 56.7375 42.5344 176.6567 93 A 4.5762 7.3791 117.9076 51.8280 22.6480 176.7386 94 I 4.5930 7.8535 124.3506 61.8924 35.9138 177.4748 *95 V 3.9215 8.4263 127.2478 62.0292 32.1549 174.0367 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 3 I 8.02 4.07 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 1.29 1.12 0.90 0.00 0.00 4 R 8.00 4.13 0.00 1.81 1.82 0.00 3.37 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 5 P 0.00 4.45 0.00 2.28 2.13 0.00 3.86 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 2.12 1.93 0.00 6 L 8.13 4.50 0.00 1.60 1.60 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.24 4.31 0.00 3.59 3.39 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.35 4.71 0.00 2.79 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 9 R 7.48 4.39 0.00 1.86 2.08 0.00 3.07 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 10 V 9.05 4.64 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 0.97 0.00 0.00 0.99 0.00 0.00 11 I 8.86 5.07 1.85 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 1.19 0.55 0.89 0.00 0.00 12 V 8.94 5.12 2.26 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 0.78 0.00 0.00 0.90 0.00 0.00 13 K 8.79 4.77 0.00 1.82 1.93 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.38 7.81 14 R 8.59 4.64 0.00 1.91 1.92 0.00 3.31 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 15 K 8.85 4.37 0.00 1.78 1.72 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.53 7.81 16 E 8.93 3.86 0.00 2.07 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 0.00 2.29 2.28 0.00 17 V 8.51 3.63 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 0.95 0.00 0.00 18 E 8.88 3.63 0.00 2.06 1.97 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 2.28 2.35 0.00 19 T 7.61 3.84 4.23 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 1.21 0.00 0.00 20 K 8.82 4.74 0.00 1.86 1.86 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.27 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.68 7.81 21 S 7.95 4.32 0.00 4.00 4.10 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 0.00 0.00 0.00 0.00 22 A 7.98 4.29 1.37 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 23 G 7.19 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 24 G 7.66 4.17 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 0.00 25 I 8.55 3.89 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 1.30 0.57 0.91 0.00 0.00 26 V 7.61 3.61 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 0.96 0.00 0.00 0.93 0.00 0.00 27 L 8.33 4.39 0.00 1.64 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.39 4.25 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 1.26 0.00 0.00 29 G 8.89 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.98 5.07 0.00 3.93 3.82 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 0.00 0.00 0.00 31 A 9.04 4.48 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 32 A 8.82 3.84 1.43 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 33 A 7.97 4.59 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 34 K 8.01 4.34 0.00 1.84 1.71 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 S 8.77 5.10 0.00 3.83 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 36 T 7.87 3.90 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 1.15 0.00 0.00 37 R 7.35 4.69 0.00 1.83 1.76 0.00 2.93 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 38 G 8.99 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.12 5.17 0.00 2.05 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 2.23 2.24 0.00 40 V 8.98 3.97 2.26 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 0.93 0.00 0.00 1.01 0.00 0.00 41 L 8.75 4.50 0.00 1.69 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.52 4.67 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 43 V 8.21 4.63 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 0.84 0.00 0.00 0.94 0.00 0.00 44 G 8.13 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 45 N 8.29 4.77 0.00 2.75 2.82 0.00 0.00 6.87 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 46 G 7.86 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.38 4.77 0.00 1.77 1.83 0.00 3.27 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 48 I 7.84 4.19 1.38 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.83 0.00 0.00 49 L 6.88 4.67 0.00 1.58 1.51 0.96 1.05 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 50 E 9.04 3.74 0.00 2.19 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 2.24 2.28 0.00 51 N 8.38 4.46 0.00 2.87 2.92 0.00 0.00 7.11 7.98 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 52 G 7.76 3.76 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 0.00 0.00 0.00 53 E 7.86 3.72 0.00 2.11 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 0.00 2.20 2.33 0.00 54 V 8.27 3.85 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 0.82 0.00 0.00 0.91 0.00 0.00 55 K 8.55 4.81 0.00 1.81 1.87 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.34 7.81 56 P 0.00 4.76 0.00 2.10 2.11 0.00 3.73 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 2.00 0.00 57 L 8.23 4.78 0.00 1.72 1.70 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.76 4.71 0.00 2.66 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 59 V 7.12 4.49 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 0.81 0.00 0.00 0.94 0.00 0.00 60 K 7.81 4.45 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.35 7.81 61 V 8.14 3.74 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 0.86 0.00 0.00 0.97 0.00 0.00 62 G 8.82 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 0.00 0.00 0.00 63 D 7.71 4.64 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.27 4.91 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 1.36 0.61 0.96 0.00 0.00 65 V 8.99 4.67 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 0.78 0.00 0.00 1.22 0.00 0.00 66 I 8.81 4.74 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 1.13 0.62 0.78 0.00 0.00 67 F 7.90 5.29 0.00 3.00 2.99 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 0.00 0.00 0.00 68 N 8.90 4.63 0.00 2.83 2.90 0.00 0.00 7.09 8.62 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 69 D 8.58 4.65 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.51 4.17 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 0.00 71 Y 8.83 4.10 0.00 2.94 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 72 G 7.78 3.74 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 0.00 0.00 0.00 73 V 8.80 2.74 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 0.33 0.00 0.00 0.74 0.00 0.00 74 K 8.35 4.45 0.00 1.61 1.65 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.43 7.81 75 S 7.87 5.30 0.00 3.79 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 76 E 8.31 4.64 0.00 1.84 1.73 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 2.13 2.29 0.00 77 K 9.03 4.55 0.00 1.68 1.69 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.41 7.81 78 I 8.51 4.25 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 1.17 0.38 0.90 0.00 0.00 79 D 9.81 4.39 0.00 2.76 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 N 8.40 4.56 0.00 2.86 3.09 0.00 0.00 7.13 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 81 E 8.01 4.39 0.00 2.24 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 2.30 2.32 0.00 82 E 8.51 4.74 0.00 1.85 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 2.30 2.28 0.00 83 V 8.80 4.45 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 0.83 0.00 0.00 0.91 0.00 0.00 84 L 8.75 4.63 0.00 1.69 1.34 0.90 0.79 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 85 I 8.54 5.09 1.80 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 1.23 0.80 0.90 0.00 0.00 86 M 8.71 5.14 0.00 1.76 2.10 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 87 S 9.08 4.69 0.00 4.22 4.02 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 88 E 8.97 4.00 0.00 2.05 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 2.32 2.30 0.00 89 S 7.52 4.39 0.00 3.97 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 90 D 8.08 4.53 0.00 2.87 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 91 I 7.57 4.70 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 1.05 0.00 0.00 92 L 8.92 4.28 0.00 1.69 1.72 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.38 4.58 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 94 I 7.85 4.59 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 1.30 0.65 0.96 0.00 0.00 *95 V 8.43 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.