NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.6050 8.2829 119.0074 56.3785 39.6535 176.2658 4 K 4.1751 8.6379 131.2739 57.4149 31.5769 174.4067 5 K 4.0731 8.3652 122.7206 60.8005 31.7753 183.8745 6 V 3.8487 7.4564 118.1600 65.6824 31.5303 177.7695 7 A 4.1384 8.0517 123.8696 55.0600 18.0517 180.2512 8 K 3.9465 8.1131 121.9074 60.0602 31.8122 181.2887 9 E 4.1794 7.8135 119.1396 59.2724 29.0636 179.1622 10 T 4.1097 8.3746 108.5097 63.1647 69.1451 176.4485 11 A 4.0905 7.6703 124.2156 55.1240 18.8163 179.3647 12 I 3.6830 7.9661 117.3114 64.6175 37.9801 177.5700 13 T 3.8943 8.2771 119.1267 67.5662 68.3289 176.7916 14 L 4.0308 7.9816 124.2802 59.4482 40.8200 181.5100 15 Q 4.1693 8.0212 120.4117 60.4856 29.2546 178.7212 16 S 4.0880 8.3903 119.6480 63.6778 62.2102 178.0296 17 A 4.1700 8.2124 123.6390 55.2423 17.9080 179.5415 18 L 4.1211 8.0719 117.1978 58.2633 42.0803 179.6964 19 T 3.9713 8.2850 118.3679 67.3607 68.2999 177.0086 20 L 3.9426 7.9000 123.4103 59.6706 40.9814 181.4093 21 Q 4.1028 8.7715 120.0323 58.7590 28.8080 177.8239 22 A 4.2610 7.9708 121.1977 53.7511 18.8129 179.7156 23 V 3.6317 7.6816 119.4289 66.7602 31.6705 178.8804 24 R 4.0198 8.4076 123.1680 62.0243 29.0348 181.0924 25 L 4.3069 7.8559 124.7497 60.0689 41.0053 181.7567 26 I 4.2234 7.7815 123.3153 65.4184 35.5065 180.9432 27 S 4.4484 8.4539 123.3675 64.2527 61.9156 179.4840 28 Q 4.3796 7.9016 125.0561 60.0808 27.8940 180.2223 29 Q 4.6197 7.7908 120.7912 58.8375 28.6624 181.5533 30 L 4.7306 7.7263 122.9339 58.7116 41.5386 184.7091 31 S 4.6222 8.1216 119.0375 64.2738 62.5446 180.9942 32 E 4.9398 8.1332 119.1951 56.8231 31.5514 178.9358 33 T 4.8183 7.7667 119.0845 62.5091 69.2536 180.2472 34 N 4.8672 8.8998 118.7099 51.5537 36.7482 174.1899 35 P 4.7131 0.0000 0.0000 62.9747 32.5776 178.9732 36 G 3.7798 8.0800 108.5061 48.7555 0.0000 176.7827 37 Q 4.3445 8.1700 122.8792 59.2456 27.9689 179.7849 38 A 4.3662 7.6490 121.0018 55.3855 18.5722 179.1911 39 I 4.3715 7.7753 117.1056 62.0059 36.6669 182.7691 40 W 4.2530 8.2774 129.4738 62.0249 30.8583 178.1125 41 L 4.6678 8.6645 122.5591 59.4628 40.1981 181.2579 42 G 3.9697 8.2864 107.7840 48.2668 0.0000 175.3434 43 E 4.4773 8.0715 118.1509 58.1370 29.9238 179.5902 44 F 4.8126 8.1558 122.5702 59.6820 42.4738 177.3315 45 S 4.5017 8.8234 119.0953 60.9344 62.3555 181.1898 46 K 4.3976 8.0545 121.3469 56.5728 32.5693 182.3877 47 R 4.0878 7.7599 114.4782 58.5131 29.7351 180.2274 48 H 4.6352 7.6363 111.9477 53.8926 32.6010 171.5387 49 P 4.5269 0.0000 0.0000 62.6744 30.9588 177.2043 50 I 3.8277 8.5269 122.1592 61.2228 35.4120 174.6129 51 Q 4.0077 7.9415 122.2193 59.6660 27.8705 182.3479 52 E 4.3538 8.1301 123.6758 55.1572 29.3151 179.7845 53 S 4.2478 8.7030 125.2872 62.8519 62.4009 173.6603 54 D 4.6397 8.1497 124.3427 57.9135 40.5814 179.4522 55 L 4.3348 8.0796 122.1077 59.4026 40.6228 180.5282 56 Y 4.2837 7.8569 118.0366 61.3588 38.9576 177.8791 57 L 4.2181 8.2330 119.4013 57.4687 41.2721 178.9064 58 E 3.8906 8.8189 119.8261 59.4878 29.3827 178.8004 59 A 3.9636 7.5068 118.3214 55.3733 18.2849 178.8638 60 M 3.7079 8.4250 117.0686 58.6749 31.9284 178.0681 61 M 3.8554 7.7371 120.0402 59.3058 32.5556 177.6849 62 L 4.1534 7.2820 119.9218 57.9062 42.8259 180.8718 63 E 3.9225 8.0061 114.1843 57.0999 26.7884 180.5718 64 N 4.2725 8.6173 128.1646 54.0806 39.4474 174.7954 65 K 4.3192 8.4301 130.7591 57.0295 32.6199 176.3609 66 E 4.0708 8.1262 113.6513 58.3623 30.0249 181.1684 67 L 4.2941 7.7815 117.9313 57.7426 42.5470 178.3270 68 V 3.5722 6.9840 118.3098 66.3055 30.7146 177.7399 69 L 3.9481 7.4763 117.5432 57.9986 41.4274 179.6262 70 R 3.9219 8.2818 118.7943 59.4878 29.9377 177.9597 71 I 3.6527 7.8685 118.9366 64.9074 37.1218 177.8209 72 L 3.9314 8.4701 119.7320 58.2249 41.5787 179.6567 73 T 4.2377 7.6019 114.0313 65.4444 68.7661 177.3622 74 V 3.5361 8.3641 120.5084 66.6077 31.6865 178.8915 75 R 3.6798 8.1310 118.6818 59.0142 30.2791 177.6317 76 E 4.0046 7.5477 116.5621 59.1715 29.9380 178.0582 77 N 4.5135 8.1779 116.3391 56.5446 38.4978 176.4749 78 L 4.0845 8.8984 121.4881 56.5376 41.4969 178.9114 79 A 4.0712 8.5659 124.2829 56.3100 17.3174 179.9357 80 E 4.1179 8.3585 117.5099 60.9785 29.7027 183.8653 81 G 4.1424 7.6612 106.0563 48.1236 0.0000 175.1292 82 V 3.7363 7.9245 120.2175 65.5670 31.3469 177.5564 83 L 4.2305 7.9860 123.1286 58.2834 41.7621 179.9891 84 E 3.8551 7.3805 118.0556 59.5602 30.2658 182.7458 85 F 5.2839 8.4403 117.3573 57.3907 39.3510 175.6960 86 L 4.8075 7.6097 118.5863 53.6965 44.3436 177.7192 87 P 4.4401 0.0000 0.0000 66.6988 31.1789 177.8576 88 E 4.1514 8.4741 117.3107 59.8175 29.1185 180.6038 89 M 4.0554 7.9308 118.6384 58.2728 32.0586 178.6480 90 V 4.0239 7.4531 115.9644 64.4552 32.3358 177.6602 91 L 4.0674 7.7352 120.0249 58.4071 41.9170 178.1388 92 S 4.1374 8.6033 113.8756 60.7166 62.3733 175.7344 93 Q 4.1084 8.1428 119.5277 59.5554 28.5812 179.9136 94 I 3.8078 7.7035 121.9410 64.6234 37.0402 178.7550 95 K 3.9443 8.2979 126.7580 61.7208 31.8352 180.8617 96 Q 4.2557 8.8190 122.3426 59.6436 27.5790 179.3811 97 S 4.4410 8.0330 113.6680 59.9500 62.9193 175.5124 98 N 4.7524 8.6188 119.7039 55.5988 38.7344 177.6319 99 G 3.5415 8.5670 107.7660 47.9736 0.0000 175.6516 100 N 4.2174 8.0827 118.1665 55.6030 38.8216 176.0544 101 H 4.6310 8.0187 116.5263 57.7731 29.6294 176.8802 102 R 4.1718 7.5650 115.4860 57.6169 29.2725 177.7065 103 R 4.1629 8.2289 118.6827 56.3827 30.4570 177.7180 104 S 4.6777 8.2781 116.8211 62.0271 61.3918 175.8624 105 L 4.1843 8.5169 123.0516 57.5275 41.7036 178.5939 106 L 4.3582 9.1411 118.5645 57.1435 41.8340 178.9818 107 E 4.1747 8.4621 120.8242 60.6366 29.4707 180.1865 108 R 3.8306 7.0929 118.0334 60.7483 29.6640 179.2682 109 L 4.7183 7.4089 118.8876 56.6816 41.5460 177.6483 110 T 4.5982 8.4844 115.5590 61.4839 69.3007 181.0651 111 Q 4.3259 7.9442 121.8215 56.3568 30.7237 178.8972 112 V 3.8998 8.4599 117.7707 61.6110 31.5083 178.5490 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 F 8.28 4.61 0.00 2.22 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 0.00 0.00 0.00 0.00 4 K 8.64 4.18 0.00 1.84 1.84 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.13 7.81 5 K 8.37 4.07 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.10 7.81 6 V 7.46 3.85 2.21 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 1.02 0.00 0.00 0.93 0.00 0.00 7 A 8.05 4.14 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 8 K 8.11 3.95 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 7.81 4.18 0.00 2.19 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 2.33 2.31 0.00 10 T 8.37 4.11 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 1.25 0.00 0.00 11 A 7.67 4.09 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 12 I 7.97 3.68 1.87 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 1.52 1.58 0.97 0.00 0.00 13 T 8.28 3.89 4.39 0.00 0.00 0.00 0.00 0.00 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 14 L 7.98 4.03 0.00 1.60 1.70 0.92 0.77 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 15 Q 8.02 4.17 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 16 S 8.39 4.09 0.00 3.76 3.88 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 0.00 0.00 0.00 17 A 8.21 4.17 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 18 L 8.07 4.12 0.00 1.83 1.76 0.99 0.79 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 19 T 8.29 3.97 4.26 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 1.12 0.00 0.00 20 L 7.90 3.94 0.00 1.68 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.77 4.10 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 A 7.97 4.26 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 23 V 7.68 3.63 2.19 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 1.20 0.00 0.00 0.91 0.00 0.00 24 R 8.41 4.02 0.00 1.85 1.92 0.00 3.33 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 25 L 7.86 4.31 0.00 1.76 1.62 0.92 0.99 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 26 I 7.78 4.22 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 1.38 0.54 0.91 0.00 0.00 27 S 8.45 4.45 0.00 3.71 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 28 Q 7.90 4.38 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 29 Q 7.79 4.62 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 30 L 7.73 4.73 0.00 1.75 1.59 0.92 0.68 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 31 S 8.12 4.62 0.00 3.70 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.13 4.94 0.00 1.98 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 2.18 1.86 0.00 33 T 7.77 4.82 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 34 N 8.90 4.87 0.00 2.63 2.74 0.00 0.00 6.61 7.76 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 35 P 0.00 4.71 0.00 2.19 2.22 0.00 3.58 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 36 G 8.08 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 37 Q 8.17 4.34 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 38 A 7.65 4.37 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 39 I 7.78 4.37 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 1.41 0.80 0.91 0.00 0.00 40 W 8.28 4.25 0.00 3.26 3.31 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 41 L 8.66 4.67 0.00 1.69 1.66 0.92 0.75 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 G 8.29 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 43 E 8.07 4.48 0.00 2.06 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 2.26 2.18 0.00 44 F 8.16 4.81 0.00 3.04 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.50 0.00 3.66 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 46 K 8.05 4.40 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.98 7.81 47 R 7.76 4.09 0.00 1.83 1.87 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 48 H 7.64 4.64 0.00 2.33 2.93 0.00 5.81 0.00 0.00 0.00 0.00 6.74 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 4.53 0.00 2.34 2.23 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 50 I 8.53 3.83 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 0.69 0.91 0.00 0.00 51 Q 7.94 4.01 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 52 E 8.13 4.35 0.00 1.89 1.91 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 2.29 1.87 0.00 53 S 8.70 4.25 0.00 3.72 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 54 D 8.15 4.64 0.00 2.72 2.78 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 55 L 8.08 4.33 0.00 1.65 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.86 4.28 0.00 3.37 3.28 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 0.00 57 L 8.23 4.22 0.00 1.89 1.81 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.82 3.89 0.00 2.21 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 2.36 0.00 59 A 7.51 3.96 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 60 M 8.43 3.71 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 61 M 7.74 3.86 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 62 L 7.28 4.15 0.00 1.53 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.01 3.92 0.00 1.84 1.51 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 2.26 2.11 0.00 64 N 8.62 4.27 0.00 1.82 1.98 0.00 0.00 6.97 6.75 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 65 K 8.43 4.32 0.00 1.72 1.79 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 0.99 7.81 66 E 8.13 4.07 0.00 1.98 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 2.23 1.88 0.00 67 L 7.78 4.29 0.00 1.63 1.46 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 V 6.98 3.57 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 1.09 0.00 0.00 0.90 0.00 0.00 69 L 7.48 3.95 0.00 1.82 1.70 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.28 3.92 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 71 I 7.87 3.65 2.09 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 1.68 0.56 0.94 0.00 0.00 72 L 8.47 3.93 0.00 1.79 1.75 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.60 4.24 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 74 V 8.36 3.54 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 1.00 0.00 0.00 0.95 0.00 0.00 75 R 8.13 3.68 0.00 1.95 2.14 0.00 3.14 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 76 E 7.55 4.00 0.00 2.22 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 0.00 2.32 2.34 0.00 77 N 8.18 4.51 0.00 2.88 2.86 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.90 4.08 0.00 2.00 1.62 0.93 0.92 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 79 A 8.57 4.07 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 80 E 8.36 4.12 0.00 2.01 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 2.24 2.19 0.00 81 G 7.66 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.74 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 1.09 0.00 0.00 0.97 0.00 0.00 83 L 7.99 4.23 0.00 1.74 1.70 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.38 3.86 0.00 2.24 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 0.00 2.26 2.22 0.00 85 F 8.44 5.28 0.00 2.96 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 86 L 7.61 4.81 0.00 1.62 1.64 0.93 1.10 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 87 P 0.00 4.44 0.00 2.15 2.08 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 88 E 8.47 4.15 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 2.31 1.97 0.00 89 M 7.93 4.06 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.68 0.00 90 V 7.45 4.02 2.19 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 1.02 0.00 0.00 0.99 0.00 0.00 91 L 7.74 4.07 0.00 1.85 1.67 0.92 1.30 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 92 S 8.60 4.14 0.00 3.92 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 93 Q 8.14 4.11 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 94 I 7.70 3.81 2.11 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 1.38 0.88 0.91 0.00 0.00 95 K 8.30 3.94 0.00 1.84 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.36 7.81 96 Q 8.82 4.26 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 97 S 8.03 4.44 0.00 3.92 4.05 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 0.00 0.00 0.00 98 N 8.62 4.75 0.00 3.04 2.84 0.00 0.00 6.88 7.95 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 99 G 8.57 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 0.00 100 N 8.08 4.22 0.00 2.66 2.88 0.00 0.00 6.84 8.16 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 0.00 101 H 8.02 4.63 0.00 3.23 3.34 0.00 5.82 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 0.00 102 R 7.57 4.17 0.00 1.74 1.98 0.00 3.32 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 103 R 8.23 4.16 0.00 1.86 1.74 0.00 3.16 0.00 0.00 3.09 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 104 S 8.28 4.68 0.00 3.98 3.88 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 0.00 0.00 0.00 105 L 8.52 4.18 0.00 1.80 1.73 0.94 0.65 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 0.00 106 L 9.14 4.36 0.00 1.89 1.71 0.92 0.91 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 0.00 107 E 8.46 4.17 0.00 2.01 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 2.39 2.37 0.00 108 R 7.09 3.83 0.00 1.96 1.85 0.00 3.25 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 109 L 7.41 4.72 0.00 1.78 1.81 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.48 4.60 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 0.00 111 Q 7.94 4.33 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 112 V 8.46 3.90 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 0.86 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.