NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4973 8.3349 115.4188 58.0407 64.5478 172.5802 3 K 4.5620 8.4311 121.1012 54.7288 34.5073 173.8331 4 K 5.0688 9.3225 123.5367 54.6931 35.3103 174.8916 5 V 4.7672 8.7500 125.2354 60.9781 34.1864 173.8885 6 L 4.9474 8.8850 130.8053 53.9252 43.7083 174.7303 7 L 4.9943 9.2521 129.7188 53.5755 43.9231 175.3129 8 V 4.7245 8.6218 128.3303 61.7996 32.6023 174.3024 9 D 4.6929 8.3987 125.7071 53.4887 44.0399 175.3493 10 D 4.7003 8.8649 123.6923 54.2393 40.4402 176.6593 11 S 4.3966 8.9363 116.2773 57.3117 63.2248 174.2568 12 A 4.0097 8.5521 131.8123 55.2412 17.7868 179.3042 13 V 3.5737 7.7286 116.4211 65.7385 31.6391 178.0120 14 L 3.8355 7.8860 120.0807 58.2759 41.9573 179.0865 15 R 3.9516 8.0705 118.0550 59.1569 29.4757 178.9965 16 K 3.9833 7.9566 118.9592 59.6195 32.2701 178.9938 17 I 3.8068 7.3922 119.8606 64.2610 37.0245 178.6564 18 V 3.6500 8.0219 119.1965 65.9741 31.4178 178.1204 19 S 4.2175 8.5254 113.3417 61.2238 62.2181 175.8960 20 F 4.1687 8.1366 122.7493 61.2947 39.2895 176.7506 21 N 4.3919 7.8675 113.6967 56.4777 38.3523 177.2607 22 L 4.2086 7.9214 119.6747 58.0602 41.8167 179.9273 23 K 4.5155 8.1502 119.5671 58.5571 31.6544 179.6139 24 K 3.6661 7.9663 118.6244 59.4621 32.1734 178.9068 25 E 3.9104 7.4822 115.6608 57.3639 29.2840 177.9279 26 G 3.8183 7.3997 107.4383 44.8972 0.0000 173.2206 27 Y 4.8856 7.6274 117.8973 57.3540 39.9529 174.2864 28 E 4.8076 9.0763 122.2851 55.2241 31.2937 175.2569 29 V 4.6850 8.4359 124.8615 61.6408 33.3051 174.8339 30 I 4.6382 8.9640 128.3811 59.6061 39.9805 174.5221 31 E 5.2834 8.8417 124.5732 54.7767 32.9318 175.2265 32 A 4.6649 8.5907 122.4872 50.7752 22.4031 177.0823 33 E 4.2214 9.0953 122.5512 57.9537 30.5047 175.2726 34 N 4.9389 7.6208 115.0795 50.7870 41.2766 175.1759 35 G 3.5914 8.4323 106.9349 47.8669 0.0000 175.6774 36 Q 3.9496 8.0802 121.2661 59.1423 29.2218 178.1736 37 I 3.8185 8.2015 120.5969 64.2915 37.0391 178.0097 38 A 3.9300 7.9061 121.4635 55.4820 18.0010 179.7912 39 L 3.4330 7.6288 115.6506 57.5637 42.0082 179.3714 40 E 4.1924 8.3280 118.6831 59.5663 29.5470 179.6067 41 K 4.3899 8.0962 119.6825 58.9524 31.9010 179.3464 42 L 4.1551 8.1597 119.8393 56.4970 41.4423 179.0633 43 S 4.6330 7.9893 113.0699 60.4530 63.5513 175.3194 44 E 4.5753 8.2652 122.2850 56.7878 29.8040 175.5792 45 F 5.0556 7.4707 111.3031 55.6535 40.9985 173.2538 46 T 4.2592 8.2292 118.3337 60.8559 69.1920 172.8811 47 P 4.6126 0.0000 0.0000 62.3847 32.1481 176.3149 48 D 4.5401 8.5358 118.9196 56.7666 41.3733 176.6990 49 L 4.5888 7.5742 118.7002 53.8590 45.7934 173.6176 50 I 4.8350 8.5316 126.1270 59.5303 40.1044 174.5110 51 V 4.6525 8.8209 127.3918 61.4302 33.4082 174.3873 52 L 4.7868 8.6892 129.8360 53.7275 45.8013 176.2740 *54 I 3.6045 8.3806 118.0979 61.4377 38.7104 176.0973 55 M 4.5274 7.6338 125.4467 55.0610 31.2633 175.7612 56 M 4.8031 7.9870 122.5104 52.6980 36.2607 173.6244 57 P 4.4083 0.0000 0.0000 63.3910 32.5127 175.7053 58 V 3.6722 8.9918 121.8587 63.0962 31.0272 171.4821 59 M 4.6196 7.3094 117.9310 53.1002 35.0436 174.1997 60 D 5.1702 8.6313 126.5692 52.4858 42.3610 177.4589 61 G 3.4716 8.5513 106.5912 47.5901 0.0000 176.0820 62 F 4.4602 7.7397 119.6143 60.9878 39.0334 177.6762 63 T 3.9586 8.5316 115.4047 66.4235 68.1496 176.7755 64 V 3.5482 7.8336 120.1948 66.1441 31.5642 177.9534 65 L 3.9669 8.0954 118.6147 57.7264 41.2561 179.4409 66 K 3.9587 7.9161 118.2178 59.6909 31.9649 178.7566 67 K 4.2775 8.2700 118.6173 59.2782 31.6451 179.3633 68 L 4.3673 8.2838 119.7422 58.0305 41.3376 179.3483 69 Q 4.0865 7.9508 118.1224 58.4333 29.0877 176.4312 70 E 4.3230 7.7659 114.6681 56.3205 30.5246 176.1139 71 K 4.3851 7.6810 120.3928 54.3015 34.5298 176.1885 72 E 3.8780 9.0241 125.0707 59.5888 29.3807 178.0356 73 E 4.1775 7.8326 114.9872 57.6577 30.1688 177.2669 74 W 4.9321 7.9889 118.2970 57.0621 31.3258 177.9605 75 K 4.2238 8.2475 116.2210 59.0401 32.1490 177.6562 76 R 4.3495 7.7990 116.5253 56.1148 30.7401 176.3288 77 I 3.8393 7.5033 120.4885 60.1844 37.5748 174.1117 78 P 4.4235 0.0000 0.0000 62.8192 32.7030 175.2776 79 V 4.7868 8.2875 121.7940 61.2372 34.6802 173.8138 80 I 4.6463 8.4986 129.2334 59.9024 38.9331 175.0654 81 V 4.2904 8.8120 128.8529 62.3216 32.7279 174.4152 82 L 5.1989 8.6388 130.2404 53.6640 44.0454 175.2977 83 T 4.7533 8.8133 120.2106 60.3914 70.7411 174.6540 84 A 4.2922 8.7491 129.2221 54.3256 18.9345 178.5237 85 K 4.1312 7.8341 115.9894 56.3649 32.5636 176.5877 86 G 4.1881 8.6337 111.5338 43.2304 0.0000 172.8591 87 G 4.0739 8.5861 104.5101 45.3879 0.0000 174.7420 88 E 3.9937 8.7854 120.2238 59.0332 29.5136 179.2985 89 E 3.9031 8.1562 118.9303 59.4448 29.7603 178.4796 90 D 4.4825 8.0908 118.3504 57.2820 40.9680 178.1296 91 E 3.9629 8.0591 119.2838 59.4081 29.6293 178.8021 92 S 4.0764 8.2900 113.2672 61.2625 62.3393 175.8278 93 L 3.9014 8.2870 124.0540 57.5060 41.8110 178.7000 94 A 4.2162 8.2391 120.6608 55.4099 18.3937 179.6636 95 L 4.1662 8.1739 117.7467 57.9147 41.6636 179.8828 96 S 4.2474 8.6593 114.4021 60.5394 62.6344 175.4174 97 L 4.7012 7.1764 120.3912 53.8969 41.9343 176.6869 98 G 4.0656 7.8475 106.5775 45.0277 0.0000 174.4426 99 A 4.1492 7.8262 123.3044 52.2254 18.9380 178.3845 100 R 4.2259 8.7357 121.8331 58.8000 30.9490 177.2814 101 K 4.6376 7.8552 118.1658 54.8886 36.0379 174.8416 102 V 4.8516 8.4652 125.9666 61.4658 33.6352 174.3977 103 M 4.9445 9.4497 127.3331 53.5401 35.7403 174.5571 104 R 5.1049 8.5308 121.9790 54.8913 32.0109 175.7608 105 K 4.6268 8.8144 126.0529 55.1978 33.0430 175.2160 106 P 4.3568 0.0000 0.0000 62.3328 32.1083 176.0428 107 F 4.6445 8.1731 117.3789 55.8648 39.3809 175.7809 108 S 4.2865 8.6443 117.0470 57.4905 62.8902 172.8851 109 P 4.7661 0.0000 0.0000 66.0050 31.1668 178.7489 110 S 4.2001 8.1151 112.3661 61.7350 63.1237 176.4234 111 Q 4.0772 8.1439 121.7377 58.3025 28.3230 178.5913 112 F 4.2058 8.9912 122.0679 61.5243 39.5740 177.2871 113 I 3.5504 8.2628 119.7487 64.2836 37.0098 177.9641 114 E 3.9530 8.2608 120.1716 59.2554 29.3574 178.6444 115 E 3.8795 7.9524 118.8161 59.1351 29.7761 178.6580 116 V 3.2778 7.5288 118.4755 66.0209 31.2740 177.8725 117 K 3.9104 8.2009 116.8415 59.9339 32.2479 178.4599 118 H 4.3290 8.0384 117.6930 59.3344 29.6303 177.3550 119 L 3.8747 7.7835 119.3042 56.9628 41.5057 178.5925 120 L 4.1457 7.6717 117.1062 55.4946 41.8614 176.5206 121 N 4.5387 7.6694 121.4998 53.2291 38.7561 174.5349 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 S 8.33 4.50 0.00 4.05 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 3 K 8.43 4.56 0.00 1.69 1.60 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.43 7.81 4 K 9.32 5.07 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 5 V 8.75 4.77 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 0.98 0.00 0.00 0.77 0.00 0.00 6 L 8.89 4.95 0.00 1.82 1.46 1.02 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.25 4.99 0.00 1.77 1.54 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.62 4.72 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 0.74 0.00 0.00 0.87 0.00 0.00 9 D 8.40 4.69 0.00 2.68 2.44 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 0.00 0.00 0.00 0.00 10 D 8.86 4.70 0.00 2.81 2.85 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 11 S 8.94 4.40 0.00 3.84 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 12 A 8.55 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.57 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 1.01 0.00 0.00 0.92 0.00 0.00 14 L 7.89 3.84 0.00 1.76 1.82 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.07 3.95 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 16 K 7.96 3.98 0.00 1.83 1.80 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 17 I 7.39 3.81 2.07 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 1.39 0.68 0.96 0.00 0.00 18 V 8.02 3.65 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 0.93 0.00 0.00 0.63 0.00 0.00 19 S 8.53 4.22 0.00 4.00 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 20 F 8.14 4.17 0.00 3.32 3.12 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 21 N 7.87 4.39 0.00 3.29 3.09 0.00 0.00 7.07 6.62 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 22 L 7.92 4.21 0.00 2.05 1.89 1.13 1.47 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 23 K 8.15 4.52 0.00 1.87 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.50 7.81 24 K 7.97 3.67 0.00 1.72 1.73 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.82 1.38 7.81 25 E 7.48 3.91 0.00 1.42 1.39 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 2.47 2.46 0.00 26 G 7.40 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 0.00 0.00 0.00 27 Y 7.63 4.89 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.08 4.81 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 29 V 8.44 4.68 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 0.85 0.00 0.00 1.01 0.00 0.00 30 I 8.96 4.64 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.33 0.94 0.00 0.00 31 E 8.84 5.28 0.00 1.83 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 2.30 0.00 32 A 8.59 4.66 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 33 E 9.10 4.22 0.00 2.01 1.94 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 2.35 2.29 0.00 34 N 7.62 4.94 0.00 3.14 2.86 0.00 0.00 6.16 6.94 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 35 G 8.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.95 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 37 I 8.20 3.82 1.99 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 0.72 0.92 0.00 0.00 38 A 7.91 3.93 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.63 3.43 0.00 1.72 1.67 0.94 0.23 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 40 E 8.33 4.19 0.00 2.21 2.04 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 2.38 2.49 0.00 41 K 8.10 4.39 0.00 2.02 2.13 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 42 L 8.16 4.16 0.00 1.12 0.88 0.20 0.54 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 43 S 7.99 4.63 0.00 4.22 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 0.00 44 E 8.27 4.58 0.00 2.45 2.16 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 2.33 2.42 0.00 45 F 7.47 5.06 0.00 3.19 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 46 T 8.23 4.26 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 1.19 0.00 0.00 47 P 0.00 4.61 0.00 2.28 1.98 0.00 3.36 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 48 D 8.54 4.54 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 49 L 7.57 4.59 0.00 1.58 1.30 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.53 4.83 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.39 0.86 0.00 0.00 51 V 8.82 4.65 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 0.79 0.00 0.00 1.04 0.00 0.00 52 L 8.69 4.79 0.00 1.67 1.43 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *54 I 8.38 3.60 1.62 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 1.19 0.43 0.06 0.00 0.00 55 M 7.63 4.53 0.00 1.98 2.00 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 2.54 2.53 0.00 56 M 7.99 4.80 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 57 P 0.00 4.41 0.00 2.17 2.06 0.00 3.84 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 1.97 1.94 0.00 58 V 8.99 3.67 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 0.74 0.00 0.00 0.93 0.00 0.00 59 M 7.31 4.62 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 60 D 8.63 5.17 0.00 3.02 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 61 G 8.55 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.74 4.46 0.00 3.32 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 63 T 8.53 3.96 4.42 0.00 0.00 0.00 0.00 0.00 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 64 V 7.83 3.55 2.16 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 0.98 0.00 0.00 0.95 0.00 0.00 65 L 8.10 3.97 0.00 1.98 1.97 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.92 3.96 0.00 1.82 2.06 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 K 8.27 4.28 0.00 2.05 2.06 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.72 7.81 68 L 8.28 4.37 0.00 1.88 1.79 0.83 0.39 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 69 Q 7.95 4.09 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 70 E 7.77 4.32 0.00 2.16 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 0.00 2.55 2.39 0.00 71 K 7.68 4.39 0.00 1.47 1.08 0.00 0.79 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 0.90 7.81 72 E 9.02 3.88 0.00 1.82 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 2.26 2.26 0.00 73 E 7.83 4.18 0.00 1.58 1.93 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 2.21 2.30 0.00 74 W 7.99 4.93 0.00 3.50 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 75 K 8.25 4.22 0.00 1.90 2.18 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.48 7.81 76 R 7.80 4.35 0.00 1.83 2.00 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 77 I 7.50 3.84 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.85 0.00 0.00 78 P 0.00 4.42 0.00 2.04 2.12 0.00 3.65 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 2.11 1.89 0.00 79 V 8.29 4.79 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 1.06 0.00 0.00 0.94 0.00 0.00 80 I 8.50 4.65 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.99 0.00 0.00 81 V 8.81 4.29 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 0.90 0.00 0.00 0.92 0.00 0.00 82 L 8.64 5.20 0.00 1.57 1.44 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.81 4.75 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 1.33 0.00 0.00 84 A 8.75 4.29 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 85 K 7.83 4.13 0.00 1.81 2.02 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.37 7.81 86 G 8.63 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 87 G 8.59 4.07 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 0.00 0.00 0.00 88 E 8.79 3.99 0.00 2.03 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 2.41 2.37 0.00 89 E 8.16 3.90 0.00 2.03 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 2.33 2.37 0.00 90 D 8.09 4.48 0.00 2.94 2.84 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 0.00 0.00 0.00 91 E 8.06 3.96 0.00 2.08 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 0.00 2.34 2.35 0.00 92 S 8.29 4.08 0.00 3.99 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 93 L 8.29 3.90 0.00 1.67 1.44 0.71 -0.45 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 94 A 8.24 4.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.17 0.00 1.73 1.75 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.66 4.25 0.00 4.01 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 0.00 97 L 7.18 4.70 0.00 1.67 1.79 1.06 1.36 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 98 G 7.85 4.07 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 0.00 0.00 0.00 99 A 7.83 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.23 0.00 1.80 1.99 0.00 3.32 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 101 K 7.86 4.64 0.00 1.75 1.59 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 102 V 8.47 4.85 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 0.92 0.00 0.00 0.97 0.00 0.00 103 M 9.45 4.94 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 104 R 8.53 5.10 0.00 1.85 1.84 0.00 3.25 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 105 K 8.81 4.63 0.00 1.66 1.75 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.56 1.45 7.81 106 P 0.00 4.36 0.00 2.05 1.97 0.00 3.75 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 1.95 1.91 0.00 107 F 8.17 4.64 0.00 3.14 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 0.00 108 S 8.64 4.29 0.00 3.97 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 0.00 109 P 0.00 4.77 0.00 2.29 2.27 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 110 S 8.12 4.20 0.00 4.10 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.14 4.08 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 112 F 8.99 4.21 0.00 3.16 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 0.00 113 I 8.26 3.55 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.81 1.02 0.00 0.00 114 E 8.26 3.95 0.00 2.10 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 2.31 2.33 0.00 115 E 7.95 3.88 0.00 2.19 1.96 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 2.28 2.28 0.00 116 V 7.53 3.28 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.03 0.00 0.00 117 K 8.20 3.91 0.00 1.73 1.93 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.78 7.81 118 H 8.04 4.33 0.00 3.25 3.53 0.00 5.78 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 0.00 119 L 7.78 3.87 0.00 1.50 1.58 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.67 4.15 0.00 1.60 1.53 -0.17 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.67 4.54 0.00 2.84 2.70 0.00 0.00 6.79 7.59 0.00 0.00 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.