NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5489 8.1727 120.1043 56.3564 34.4093 173.7583 3 R 5.0500 9.3470 124.0201 54.2173 33.0312 172.8881 4 I 5.0014 9.0418 126.7949 59.4220 41.3537 173.6084 5 L 4.5613 8.4163 129.1033 53.7631 43.5462 175.0876 6 V 4.5523 8.7340 127.4168 61.1848 33.6358 174.3664 7 V 4.8136 8.4451 128.4079 61.3200 33.4199 173.6845 8 D 4.9296 8.5547 126.2164 53.2737 44.4732 175.9022 9 D 4.7639 8.4187 123.6549 54.5831 40.1208 176.7131 10 E 4.3874 8.7559 121.8118 54.3612 30.3615 174.8904 11 P 4.2184 0.0000 0.0000 66.2268 31.3045 178.2153 12 N 4.4089 8.1135 115.4530 55.6716 38.4316 177.4246 13 I 3.7475 7.6480 121.1665 64.1255 37.2936 177.9889 14 R 3.8637 8.1084 119.2567 59.4302 29.9182 178.4957 15 E 3.8706 8.2023 118.6277 59.1816 29.5763 178.5540 16 L 3.9856 7.8110 120.1575 58.2857 42.2100 178.9624 17 L 3.7186 8.1499 119.2722 57.3899 41.5000 179.3518 18 K 3.8636 8.2805 119.9298 59.6056 32.2494 178.5661 19 E 3.9220 8.2052 118.7582 59.6205 29.5378 179.3378 20 E 3.8527 8.1144 118.5204 59.2573 29.4699 179.3356 21 L 4.3014 8.0059 118.8874 57.4634 41.9450 179.2774 22 Q 4.3643 8.1753 119.5881 58.4333 28.3958 178.4815 23 E 3.9480 7.8418 118.9231 58.9640 29.7451 177.9656 24 E 4.1874 7.3517 115.4729 56.3087 29.7722 177.1723 25 G 3.9197 7.2300 107.5987 45.1456 0.0000 172.9834 26 Y 4.9380 7.5037 116.5271 55.9967 41.1137 174.2566 27 E 4.5469 8.9868 123.0149 55.3658 31.3860 174.8950 28 I 5.0177 8.4287 126.9506 59.7325 39.9801 174.5670 29 D 5.2607 9.0238 126.6075 52.7715 44.0077 175.3551 30 T 5.2336 8.3691 109.3929 60.1210 72.4457 172.8280 31 A 4.9471 8.7625 123.2114 50.5913 22.6348 176.7357 32 E 4.5199 9.9631 117.5851 55.9820 30.9672 175.1853 33 N 5.1432 7.5305 116.8365 50.6046 41.6226 175.3288 34 G 3.4945 8.4701 106.6294 47.7950 0.0000 175.4271 35 E 3.9383 8.1224 121.5115 58.9988 29.6798 178.3042 36 E 3.9111 9.1341 119.4428 59.1322 29.4337 178.5082 37 A 3.9105 7.7349 119.8127 55.2550 18.6596 179.3651 38 L 3.7018 7.9150 117.3230 57.5872 41.7792 179.7861 39 K 4.0445 8.1665 118.4362 59.5596 32.1276 179.5168 40 K 4.0709 8.3890 118.9660 59.3912 31.7618 179.2798 41 F 4.0875 7.8791 119.1189 61.4806 39.5287 176.2397 42 F 4.8425 8.0887 116.4249 60.5165 38.8553 176.8193 43 S 4.3839 8.1722 113.4555 59.5173 63.6498 174.0275 44 G 4.0608 7.2892 110.0796 44.4456 0.0000 172.5807 45 N 4.7825 7.2611 111.5306 52.2129 39.4606 174.2134 46 Y 4.3395 7.0320 115.1393 57.7544 39.4168 176.3230 47 D 4.6659 8.8323 123.0914 56.9286 41.8803 176.6007 48 L 4.8798 7.7952 118.4017 53.7766 45.7684 174.0845 49 V 4.8881 8.8331 124.7466 59.9136 34.3636 174.2117 50 I 4.7647 8.6569 125.5089 59.4450 39.7348 174.5026 51 L 4.8104 8.8015 126.9958 52.5435 44.9469 175.9902 52 D 5.1854 8.8490 124.1388 54.5487 42.3870 176.4454 53 I 3.9264 8.2851 123.0287 63.3053 38.5494 175.8006 54 E 4.2912 7.9151 120.3184 55.2435 30.2437 174.6315 *56 P 4.0806 0.0000 0.0000 63.6456 32.9995 177.4901 57 G 3.8404 8.6412 108.6605 44.0009 0.0000 172.6443 58 I 3.7328 8.0512 113.5593 61.0023 38.2344 176.6420 59 S 4.5741 8.4088 118.1945 57.7944 65.2448 175.5474 60 G 4.1140 8.6258 110.9768 47.2917 0.0000 176.1524 61 L 3.9226 7.5098 121.4944 57.5113 41.5754 179.0500 62 E 3.8761 7.9842 118.8456 59.1823 29.6086 178.7353 63 V 3.4638 7.7933 118.0107 66.0825 31.5757 177.7569 64 A 3.9462 8.2526 120.8051 55.0463 18.1539 179.9041 65 G 3.5301 7.9406 103.7320 47.9585 0.0000 175.8547 66 E 4.0744 8.1521 121.3137 59.1865 29.4353 179.5407 67 I 3.7687 7.9042 119.9934 64.3638 36.8699 178.4440 68 R 3.8942 7.8389 118.3008 59.4610 29.9841 178.3939 69 K 4.1631 8.0877 117.1696 58.7405 32.1863 178.5487 70 K 4.6388 8.0134 115.5498 55.4643 33.7896 177.1873 71 K 4.6210 8.4709 121.2796 53.9935 32.8991 175.7400 72 K 3.9693 8.6879 124.9213 58.9874 32.3350 177.1268 73 D 4.7956 7.9981 114.8964 53.8226 40.9469 176.3044 74 A 4.2551 7.8728 122.6667 52.6909 18.9842 177.6840 75 K 4.8307 8.6328 119.6855 54.8889 34.5710 175.5322 76 I 4.9256 9.2752 125.8515 59.5442 41.1677 174.2904 77 I 4.8420 8.5702 127.9046 59.3554 40.0333 174.7611 78 L 4.5245 8.6541 127.7251 54.0745 43.1530 175.6582 79 L 5.0061 8.7660 126.3069 53.5092 44.5121 174.8698 80 T 4.8582 8.3845 120.3586 59.8919 70.7200 174.7721 81 A 3.8717 8.6407 128.8264 54.0549 18.6407 177.2945 82 Y 4.9040 7.4342 113.8737 56.2611 40.0295 176.2561 83 S 4.5980 8.8490 118.5023 59.8411 64.0422 175.3447 84 H 3.8900 8.6249 121.1375 59.8135 29.4026 175.2311 85 Y 4.4171 8.0457 114.0430 58.7632 38.2633 177.1684 86 R 3.0333 7.7610 121.1654 58.6697 30.0738 177.0931 87 S 4.7264 7.7644 109.5042 58.0381 63.8348 174.0992 88 D 4.5369 7.7956 123.8169 54.1773 42.4298 176.6549 *90 S 4.2484 8.5357 110.3188 58.6665 64.9854 175.7494 91 S 4.4114 7.9932 114.5220 60.1104 62.9267 176.2506 92 W 4.4809 8.0809 120.2205 59.2398 28.9903 177.1425 93 A 4.1015 7.8628 120.7668 54.3716 17.9962 177.6781 94 A 4.5345 7.7201 118.0373 51.4823 19.9836 177.1351 95 D 4.6638 8.6956 120.4534 56.9521 41.5858 176.9122 96 E 4.8971 8.0602 115.4284 54.7746 34.6072 173.9045 97 Y 5.0526 8.6536 121.9778 55.9354 41.7032 174.5975 98 V 4.5280 8.9083 126.5333 61.0337 34.7544 174.2802 99 V 4.4927 8.5355 127.9630 61.7939 32.4047 175.6439 100 K 3.8429 8.6017 127.9612 57.2598 32.3003 176.3544 101 S 4.5376 7.9695 117.5485 56.2663 65.5984 173.8331 102 F 3.6823 8.6732 122.8058 58.9541 39.0344 175.0720 103 N 4.6380 7.7432 119.7358 52.3749 38.6367 175.0151 104 F 4.3929 8.6368 124.1329 57.8886 39.2750 176.9932 105 D 4.4415 8.4481 120.6156 57.5187 40.6931 178.3409 106 E 4.0724 8.1200 118.9383 59.2337 29.6647 178.2160 107 L 3.9713 7.9792 119.8130 58.3848 42.0885 178.9716 108 K 4.0697 8.5103 118.5308 59.4434 31.9128 179.2182 109 E 4.0026 8.5096 119.0807 59.4762 29.4128 179.6178 110 K 4.0197 8.1512 118.5508 59.2020 32.0929 179.5108 111 V 3.4587 8.0758 118.8490 66.0065 31.2747 177.7611 112 K 3.9521 8.0809 118.1415 59.5096 32.1220 178.1487 113 K 4.0764 8.2377 119.6632 59.7730 31.9733 178.8753 114 L 4.1246 7.7424 117.4861 57.1030 41.6229 178.4378 115 L 4.4144 7.6667 116.5122 55.0427 41.8636 177.5074 116 S 4.4623 7.6535 121.0112 58.8526 62.9369 173.6949 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 K 8.17 4.55 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.58 7.81 3 R 9.35 5.05 0.00 1.87 1.75 0.00 2.62 0.00 0.00 2.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 4 I 9.04 5.00 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.77 0.86 0.00 0.00 5 L 8.42 4.56 0.00 0.27 1.07 0.62 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.73 4.55 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 0.81 0.00 0.00 0.87 0.00 0.00 7 V 8.45 4.81 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 0.93 0.00 0.00 0.80 0.00 0.00 8 D 8.55 4.93 0.00 2.71 2.39 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 0.00 9 D 8.42 4.76 0.00 2.77 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 10 E 8.76 4.39 0.00 2.10 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 2.29 2.31 0.00 11 P 0.00 4.22 0.00 2.25 2.31 0.00 3.70 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 2.08 2.06 0.00 12 N 8.11 4.41 0.00 2.77 2.92 0.00 0.00 7.16 7.45 0.00 0.00 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 I 7.65 3.75 1.96 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 1.63 0.89 0.94 0.00 0.00 14 R 8.11 3.86 0.00 2.00 1.97 0.00 3.10 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 15 E 8.20 3.87 0.00 2.11 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 2.29 2.31 0.00 16 L 7.81 3.99 0.00 1.88 1.76 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.15 3.72 0.00 1.75 1.62 0.88 0.65 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 18 K 8.28 3.86 0.00 1.83 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.48 7.81 19 E 8.21 3.92 0.00 2.08 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 2.30 2.49 0.00 20 E 8.11 3.85 0.00 1.67 1.64 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 1.93 1.47 0.00 21 L 8.01 4.30 0.00 1.80 1.89 0.92 0.70 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 22 Q 8.18 4.36 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 23 E 7.84 3.95 0.00 1.95 2.15 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 2.29 2.33 0.00 24 E 7.35 4.19 0.00 2.13 1.80 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 2.55 2.54 0.00 25 G 7.23 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 0.00 0.00 0.00 26 Y 7.50 4.94 0.00 2.97 2.82 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 27 E 8.99 4.55 0.00 2.10 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 2.31 2.32 0.00 28 I 8.43 5.02 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.90 0.00 0.00 29 D 9.02 5.26 0.00 2.77 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 30 T 8.37 5.23 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 1.19 0.00 0.00 31 A 8.76 4.95 1.15 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 0.00 0.00 32 E 9.96 4.52 0.00 2.11 2.18 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 2.46 2.17 0.00 33 N 7.53 5.14 0.00 2.94 2.91 0.00 0.00 6.14 6.92 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 34 G 8.47 3.49 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 0.00 0.00 0.00 35 E 8.12 3.94 0.00 2.05 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 2.39 2.39 0.00 36 E 9.13 3.91 0.00 2.06 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 0.00 2.30 2.33 0.00 37 A 7.73 3.91 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 38 L 7.91 3.70 0.00 1.87 1.76 0.98 0.64 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 39 K 8.17 4.04 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.72 7.81 40 K 8.39 4.07 0.00 1.84 1.99 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.64 7.81 41 F 7.88 4.09 0.00 2.93 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 42 F 8.09 4.84 0.00 3.27 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 43 S 8.17 4.38 0.00 4.04 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 44 G 7.29 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 45 N 7.26 4.78 0.00 2.41 2.56 0.00 0.00 6.79 7.46 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 46 Y 7.03 4.34 0.00 2.85 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 47 D 8.83 4.67 0.00 2.72 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 48 L 7.80 4.88 0.00 1.70 1.39 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.83 4.89 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 0.47 0.00 0.00 0.78 0.00 0.00 50 I 8.66 4.76 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.84 0.00 0.00 51 L 8.80 4.81 0.00 1.38 1.40 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.85 5.19 0.00 2.94 2.47 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 53 I 8.29 3.93 1.58 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 1.07 0.21 0.06 0.00 0.00 54 E 7.92 4.29 0.00 2.09 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 2.36 2.52 0.00 *56 P 0.00 4.08 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 57 G 8.64 3.84 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 0.00 0.00 0.00 58 I 8.05 3.73 1.94 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 1.45 0.60 1.00 0.00 0.00 59 S 8.41 4.57 0.00 4.08 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 60 G 8.63 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 0.00 0.00 0.00 61 L 7.51 3.92 0.00 1.55 1.66 0.80 0.71 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 62 E 7.98 3.88 0.00 1.99 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 2.36 2.35 0.00 63 V 7.79 3.46 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 0.85 0.00 0.00 0.91 0.00 0.00 64 A 8.25 3.95 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 65 G 7.94 3.53 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 0.00 66 E 8.15 4.07 0.00 2.21 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 2.55 2.56 0.00 67 I 7.90 3.77 1.56 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.46 0.16 0.00 0.00 68 R 7.84 3.89 0.00 1.86 2.12 0.00 3.35 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 69 K 8.09 4.16 0.00 1.96 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.62 7.81 70 K 8.01 4.64 0.00 1.87 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.98 1.33 7.81 71 K 8.47 4.62 0.00 2.18 2.00 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.60 7.81 72 K 8.69 3.97 0.00 1.79 1.88 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 73 D 8.00 4.80 0.00 2.75 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 74 A 7.87 4.26 1.42 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 0.00 0.00 0.00 75 K 8.63 4.83 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.41 7.81 76 I 9.28 4.93 1.83 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 1.05 0.64 0.82 0.00 0.00 77 I 8.57 4.84 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.86 0.00 0.00 78 L 8.65 4.52 0.00 1.30 1.16 1.00 -0.01 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 79 L 8.77 5.01 0.00 1.62 1.41 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.38 4.86 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 1.04 0.00 0.00 81 A 8.64 3.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.90 0.00 3.33 2.96 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 83 S 8.85 4.60 0.00 4.04 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 0.00 84 H 8.62 3.89 0.00 2.91 2.90 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.05 4.42 0.00 3.46 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 86 R 7.76 3.03 0.00 1.22 1.68 0.00 3.07 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.00 87 S 7.76 4.73 0.00 4.01 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 88 D 7.80 4.54 0.00 2.79 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 *90 S 8.54 4.25 0.00 4.03 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 91 S 7.99 4.41 0.00 4.32 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 0.00 92 W 8.08 4.48 0.00 3.38 3.17 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 93 A 7.86 4.10 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 0.00 0.00 0.00 0.00 0.00 94 A 7.72 4.53 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 95 D 8.70 4.66 0.00 2.72 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 96 E 8.06 4.90 0.00 1.85 1.81 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 2.31 2.25 0.00 97 Y 8.65 5.05 0.00 3.00 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 98 V 8.91 4.53 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 0.88 0.00 0.00 0.96 0.00 0.00 99 V 8.54 4.49 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 0.88 0.00 0.00 1.15 0.00 0.00 100 K 8.60 3.84 0.00 1.46 1.55 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.34 7.81 101 S 7.97 4.54 0.00 3.65 3.44 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 0.00 102 F 8.67 3.68 0.00 2.99 3.08 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 0.00 103 N 7.74 4.64 0.00 2.67 2.68 0.00 0.00 7.18 6.38 0.00 0.00 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 F 8.64 4.39 0.00 3.27 3.11 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 0.00 105 D 8.45 4.44 0.00 2.78 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 0.00 106 E 8.12 4.07 0.00 2.03 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 2.40 2.39 0.00 107 L 7.98 3.97 0.00 1.86 1.96 0.93 0.99 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 0.00 108 K 8.51 4.07 0.00 2.06 1.94 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.69 7.81 109 E 8.51 4.00 0.00 2.20 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 2.36 2.63 0.00 110 K 8.15 4.02 0.00 1.93 1.87 0.00 1.82 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.62 7.81 111 V 8.08 3.46 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 0.64 0.00 0.00 0.95 0.00 0.00 112 K 8.08 3.95 0.00 2.04 2.01 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.59 7.81 113 K 8.24 4.08 0.00 1.94 2.08 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 114 L 7.74 4.12 0.00 1.66 1.71 0.92 1.09 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 0.00 115 L 7.67 4.41 0.00 1.67 1.74 0.57 0.62 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 0.00 116 S 7.65 4.46 0.00 4.00 3.80 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 * Residues marked with a * may have inaccurate shift predictions.