NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3850 8.0333 110.9488 60.9738 70.5013 174.4161 3 K 3.7637 8.7243 122.0981 59.5297 31.8403 178.0773 4 L 4.1192 8.7979 120.0900 57.9467 41.9760 179.0075 5 E 4.0240 8.5854 118.7085 59.3551 29.3622 179.3391 6 Q 4.1723 8.4894 118.4370 59.2444 28.7425 179.0610 7 I 3.8713 8.0625 120.8306 64.2295 37.0692 178.2119 8 Q 3.9845 8.4860 120.8713 59.2552 28.8764 178.2182 9 Q 3.9546 8.5173 120.9198 58.8713 29.1030 177.9313 10 W 3.8731 8.2349 129.3405 60.6661 30.6496 177.9255 11 T 3.8547 8.4105 115.6281 66.7418 67.9611 176.4274 12 A 3.9531 8.1231 122.5494 55.3226 18.2024 179.7479 13 Q 3.7904 8.2003 115.7278 58.5468 28.7267 177.6820 14 H 4.0697 7.2580 114.8048 54.5354 28.9487 174.5591 15 H 3.9699 7.5565 116.4319 56.6989 26.6187 174.3662 16 A 4.6065 7.6199 120.2898 51.1700 19.1581 179.2677 17 S 4.1534 8.9746 118.2344 61.3377 63.7086 174.8952 *19 T 4.2551 7.7937 116.3572 63.4286 69.7936 172.1404 20 Y 4.7878 9.1399 128.0589 56.0230 40.7752 174.0254 21 L 5.0081 8.5042 128.5569 53.3518 43.0879 177.6882 22 S 4.3904 8.8429 116.2151 57.2621 65.0175 174.1043 23 N 4.4825 8.7742 121.5832 52.7539 39.4052 173.5205 24 P 4.3087 0.0000 0.0000 65.6379 31.4565 178.7653 25 K 3.9833 8.2863 117.4712 59.6370 31.8979 179.5540 26 T 3.9379 7.7180 115.5958 66.7094 68.5165 176.7113 27 I 3.7002 7.8702 121.7697 64.2383 37.0897 178.1460 28 E 4.3673 8.4576 121.7578 59.0260 29.2913 178.1636 29 Y 4.1730 8.0077 118.4109 60.6150 38.8755 177.6179 30 L 4.2696 7.9621 118.7161 56.1162 42.1226 177.5416 31 T 4.5607 7.9042 106.0342 60.0952 70.2203 175.2526 32 G 3.8583 8.7457 109.8419 45.2976 0.0000 173.0545 33 F 4.4450 8.4226 123.6711 57.1071 39.4591 174.3688 34 G 4.0371 7.7742 117.6474 43.9775 0.0000 172.1743 35 S 4.3402 7.8909 116.7854 57.3859 65.6114 172.5770 36 D 4.9980 8.0423 119.3401 50.1550 41.9656 173.9084 37 P 4.3245 0.0000 0.0000 63.1190 31.6959 176.1395 38 I 4.7428 7.9697 122.0679 59.2821 40.7026 175.6109 39 E 4.1282 8.7186 121.5853 59.2731 29.5943 177.8778 40 R 4.3642 7.7778 116.7619 55.5288 31.6682 175.0647 41 V 4.3239 8.8317 118.4579 61.3026 32.5269 173.9464 42 L 5.0783 8.5943 128.7116 53.3163 44.3845 175.1403 43 A 4.6866 9.3436 127.0056 50.2741 23.5128 174.3433 44 L 4.7487 8.5254 121.4047 53.2033 45.1671 175.3044 45 V 4.4191 8.1831 127.2027 60.9533 33.3910 174.4272 46 V 4.5204 8.3169 128.0168 61.0291 33.7634 174.7022 47 F 4.9727 8.5838 125.0345 54.8337 41.8359 173.9444 48 P 4.6897 0.0000 0.0000 65.2941 31.5162 177.1745 49 D 4.7921 7.9012 116.2356 52.6175 40.1894 174.0749 50 Q 4.5326 7.7069 115.8792 55.8118 30.9393 173.1752 51 D 4.2383 8.4214 118.4510 53.6405 41.2650 174.8278 52 P 5.1126 0.0000 0.0000 62.5138 33.2548 174.5401 53 F 5.6639 8.7582 113.2873 55.9673 41.7427 173.2925 54 I 4.8557 9.1887 120.5367 59.6230 39.9141 174.4670 55 F 5.4110 9.2808 127.8607 56.5303 42.2320 173.7590 56 A 5.1539 8.1002 125.9164 49.8104 23.3304 173.6703 57 P 3.9063 0.0000 0.0000 62.2394 32.1355 177.6986 58 A 3.8292 8.3832 125.4654 55.4892 18.3194 179.9050 59 L 4.1365 7.5918 113.2955 56.8060 42.1944 178.2581 60 E 4.2700 8.1072 118.0064 57.4114 29.5073 178.4160 61 V 3.4126 7.3242 119.0621 65.9072 31.4919 177.2179 62 E 3.8698 8.0800 118.2754 59.6201 29.3030 178.9629 63 V 3.9535 7.5763 117.5852 65.3122 32.0639 177.6026 64 I 3.5714 7.5194 119.7431 64.3204 36.9281 178.6097 65 K 4.1661 8.3781 119.5170 59.2866 31.8662 178.8088 66 E 4.2565 8.3558 118.1529 58.1305 29.1574 178.4713 67 T 4.2928 7.5980 109.2566 62.8364 69.1754 175.3500 68 G 3.9550 8.0597 110.3162 44.5339 0.0000 173.6119 69 W 4.1890 7.6378 130.2699 58.0010 30.8461 175.6676 70 Q 3.9143 7.5918 123.2354 55.8949 28.5414 174.7085 71 F 4.9252 5.9105 115.6223 54.1879 42.5678 172.7201 72 P 4.6438 0.0000 0.0000 63.2253 32.4123 176.0084 73 V 4.9446 8.5342 122.1005 61.3816 34.0745 174.4386 74 I 4.4281 9.0729 129.6747 59.6132 39.2268 175.4902 75 G 4.8051 8.5902 114.2338 44.6180 0.0000 172.0513 76 Y 5.1665 7.7973 117.1044 55.0477 41.8629 174.5892 77 L 4.5194 9.5883 121.3989 53.6153 43.3417 177.7243 78 D 4.1578 8.6637 120.4741 57.2433 40.8140 177.3889 79 H 4.8375 7.9467 112.8651 55.4313 29.4294 174.4848 80 E 4.2497 8.0741 119.8170 55.7718 29.9979 176.1716 81 N 4.6793 8.4579 119.4662 51.5953 38.4564 173.8232 82 P 3.9368 0.0000 0.0000 65.1417 31.8904 178.1319 83 W 4.1832 7.2022 116.0199 59.6183 29.1210 178.9074 84 A 4.8206 8.0783 118.4580 52.2520 17.3516 179.2615 *86 I 3.8544 7.9747 121.4583 62.8508 39.2946 178.2101 87 A 4.2314 8.0627 121.9194 55.2526 17.9394 179.3354 88 D 4.3745 8.4537 117.7896 57.6744 40.6632 179.0228 89 Q 3.8739 8.0042 116.9808 58.8909 29.0218 178.7167 90 V 4.0824 8.1163 119.2051 66.1862 31.7289 178.2781 91 K 4.0888 8.8260 118.5968 59.6227 31.6440 179.3646 92 Q 4.0417 8.3440 117.7501 58.1658 28.5567 177.8656 93 R 4.2321 7.3543 117.1749 55.3129 30.3484 175.7742 94 H 4.0670 7.7612 114.3677 56.9939 26.6143 174.6487 95 V 4.2080 7.8851 118.2850 61.0462 32.9747 174.3890 96 N 4.8080 8.4991 126.4622 50.7558 38.9233 171.5772 97 P 4.3321 0.0000 0.0000 62.4132 33.5337 174.4559 98 E 4.1783 9.2554 121.4853 57.4775 30.5917 176.6862 99 H 4.6633 9.0651 120.9847 56.2000 30.6525 175.3527 100 V 4.4681 8.3634 123.0828 60.8223 34.2063 174.0269 101 A 5.1090 8.5804 129.5343 51.0003 20.9933 175.7699 102 I 5.1942 8.3962 113.5778 58.3051 42.2379 174.7234 103 E 4.8733 8.6529 122.2977 54.9318 27.3269 177.3180 104 K 4.0239 8.7895 124.5342 58.8187 32.7359 179.8581 105 G 3.7376 7.8969 106.7625 47.3925 0.0000 173.9184 106 Q 4.3894 7.3630 120.0164 56.9753 30.8230 175.8890 107 L 4.2020 7.9505 119.7575 54.6808 42.9804 176.4276 108 Q 4.2109 8.5406 124.8263 55.3997 29.6817 176.9254 109 V 3.4323 8.6293 121.7844 66.1333 31.7113 177.3117 110 A 4.0074 7.9296 121.7810 55.2244 18.5619 178.7390 111 R 3.7869 7.6306 114.0222 56.7033 30.1076 178.6030 *113 E 3.9083 8.3661 119.2296 56.2943 31.4500 178.2832 114 A 3.5634 7.3956 119.5177 54.6034 18.3901 179.1748 115 L 3.9063 6.8817 118.4599 58.2778 42.2159 179.0459 116 A 4.3410 7.6148 119.9419 55.2423 18.1132 179.1645 117 A 3.9995 7.7942 118.0792 54.8003 18.5448 178.9611 118 Q 4.0356 7.8674 115.3723 55.7516 28.9809 175.3844 119 F 5.2606 7.0555 118.4082 55.2637 42.1622 175.8334 120 S 4.2768 8.9798 117.3488 61.4701 63.5503 175.3910 121 A 4.6914 7.3858 120.3977 50.5952 19.9087 173.3036 122 P 4.7226 0.0000 0.0000 60.9153 33.2011 177.2576 123 S 4.5122 8.6300 114.6138 57.2030 65.3202 174.8526 124 F 4.8293 9.0812 128.2660 55.4527 37.2065 175.6127 125 D 5.0286 7.8927 116.4252 52.5863 40.5422 176.6749 126 L 4.8434 7.7845 119.1435 53.2789 44.7953 174.8288 127 D 5.2532 8.8494 121.6052 52.4834 43.2395 175.4849 128 I 3.6927 8.4324 125.5129 61.0038 37.9751 176.8843 129 T 3.7792 8.0910 116.9993 67.6407 68.3663 176.0967 130 S 4.2162 7.8907 115.4285 60.6908 62.2946 175.5963 131 F 4.0334 7.9822 121.7332 61.4528 39.1398 176.6811 132 I 3.5893 7.5387 118.1420 64.1790 36.7908 177.5523 133 E 3.8640 8.0154 120.1293 59.3943 29.1671 176.4931 134 H 4.5778 7.5830 119.3681 55.9542 29.0572 174.9890 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 T 8.03 4.38 4.30 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 1.25 0.00 0.00 3 K 8.72 3.76 0.00 1.94 1.99 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.52 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.56 7.81 4 L 8.80 4.12 0.00 1.80 1.76 1.20 1.16 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 5 E 8.59 4.02 0.00 2.07 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 2.38 2.41 0.00 6 Q 8.49 4.17 0.00 2.48 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 7 I 8.06 3.87 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.92 0.00 0.00 8 Q 8.49 3.98 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 9 Q 8.52 3.95 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 10 W 8.23 3.87 0.00 2.74 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 11 T 8.41 3.85 4.49 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 1.24 0.00 0.00 12 A 8.12 3.95 1.35 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 0.00 0.00 0.00 0.00 0.00 13 Q 8.20 3.79 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 14 H 7.26 4.07 0.00 2.29 2.75 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.56 3.97 0.00 3.16 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.62 4.61 1.23 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 0.00 0.00 0.00 17 S 8.97 4.15 0.00 3.72 3.94 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 *19 T 7.79 4.26 4.20 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 1.17 0.00 0.00 20 Y 9.14 4.79 0.00 3.01 2.88 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 21 L 8.50 5.01 0.00 1.56 1.45 0.88 0.43 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 22 S 8.84 4.39 0.00 4.03 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 23 N 8.77 4.48 0.00 2.75 2.90 0.00 0.00 7.03 7.91 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 24 P 0.00 4.31 0.00 2.27 2.09 0.00 3.66 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 2.20 0.00 25 K 8.29 3.98 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 26 T 7.72 3.94 4.37 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 1.22 0.00 0.00 27 I 7.87 3.70 1.89 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 1.30 0.97 0.91 0.00 0.00 28 E 8.46 4.37 0.00 2.15 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 0.00 2.33 2.16 0.00 29 Y 8.01 4.17 0.00 3.04 3.16 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 30 L 7.96 4.27 0.00 1.71 1.82 0.98 0.98 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 31 T 7.90 4.56 4.27 0.00 0.00 0.00 0.00 0.00 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 32 G 8.75 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.42 4.44 0.00 3.06 2.92 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 34 G 7.77 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 35 S 7.89 4.34 0.00 3.85 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 36 D 8.04 5.00 0.00 2.74 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 37 P 0.00 4.32 0.00 2.07 2.06 0.00 3.61 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 2.03 2.12 0.00 38 I 7.97 4.74 1.92 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 1.44 0.53 1.00 0.00 0.00 39 E 8.72 4.13 0.00 2.00 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 2.35 2.36 0.00 40 R 7.78 4.36 0.00 1.86 2.06 0.00 3.10 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 41 V 8.83 4.32 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 0.63 0.00 0.00 0.46 0.00 0.00 42 L 8.59 5.08 0.00 1.70 1.56 0.89 1.20 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 43 A 9.34 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.53 4.75 0.00 1.41 1.29 0.63 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.18 4.42 0.67 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 0.21 0.00 0.00 0.62 0.00 0.00 46 V 8.32 4.52 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 0.84 0.00 0.00 0.89 0.00 0.00 47 F 8.58 4.97 0.00 3.27 2.93 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 48 P 0.00 4.69 0.00 2.21 2.27 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 49 D 7.90 4.79 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.71 4.53 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 7.02 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 51 D 8.42 4.24 0.00 2.74 2.53 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 52 P 0.00 5.11 0.00 2.26 2.02 0.00 2.22 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.34 0.00 53 F 8.76 5.66 0.00 3.50 3.36 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 54 I 9.19 4.86 1.63 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.03 0.70 0.00 0.00 55 F 9.28 5.41 0.00 3.44 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 56 A 8.10 5.15 1.02 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 0.00 0.00 57 P 0.00 3.91 0.00 2.03 1.64 0.00 3.71 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 58 A 8.38 3.83 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 59 L 7.59 4.14 0.00 1.58 1.70 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.11 4.27 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 61 V 7.32 3.41 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 1.02 0.00 0.00 0.87 0.00 0.00 62 E 8.08 3.87 0.00 2.05 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 2.42 2.38 0.00 63 V 7.58 3.95 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 1.32 0.00 0.00 0.99 0.00 0.00 64 I 7.52 3.57 1.68 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.19 0.53 0.00 0.00 65 K 8.38 4.17 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.64 7.81 66 E 8.36 4.26 0.00 2.22 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 2.35 2.43 0.00 67 T 7.60 4.29 4.53 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 1.40 0.00 0.00 68 G 8.06 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 0.00 0.00 0.00 69 W 7.64 4.19 0.00 3.33 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 70 Q 7.59 3.91 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 1.86 2.24 0.00 71 F 5.91 4.93 0.00 2.49 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 72 P 0.00 4.64 0.00 2.31 2.10 0.00 4.06 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 2.27 2.22 0.00 73 V 8.53 4.94 2.14 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 0.72 0.00 0.00 1.08 0.00 0.00 74 I 9.07 4.43 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 1.03 0.00 0.00 75 G 8.59 4.81 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 0.00 0.00 0.00 76 Y 7.80 5.17 0.00 3.07 2.81 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 77 L 9.59 4.52 0.00 1.68 1.57 0.91 1.24 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 78 D 8.66 4.16 0.00 2.44 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 79 H 7.95 4.84 0.00 3.16 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.07 4.25 0.00 2.34 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 2.42 2.32 0.00 81 N 8.46 4.68 0.00 2.75 2.74 0.00 0.00 6.63 7.71 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 82 P 0.00 3.94 0.00 1.13 0.49 0.00 3.64 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 0.82 1.44 0.00 83 W 7.20 4.18 0.00 3.55 3.15 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 84 A 8.08 4.82 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 *86 I 7.97 3.85 1.86 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 1.18 0.00 0.00 87 A 8.06 4.23 1.01 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 0.00 0.00 88 D 8.45 4.37 0.00 2.69 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 89 Q 8.00 3.87 0.00 2.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 90 V 8.12 4.08 2.66 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 1.27 0.00 0.00 1.50 0.00 0.00 91 K 8.83 4.09 0.00 1.89 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.83 7.81 92 Q 8.34 4.04 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.18 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 93 R 7.35 4.23 0.00 1.74 1.69 0.00 3.56 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 94 H 7.76 4.07 0.00 3.30 3.38 0.00 5.61 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.89 4.21 2.29 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 0.89 0.00 0.00 0.85 0.00 0.00 96 N 8.50 4.81 0.00 2.71 2.73 0.00 0.00 7.23 7.69 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 97 P 0.00 4.33 0.00 1.82 1.82 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.56 0.00 98 E 9.26 4.18 0.00 1.86 1.63 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 2.19 2.22 0.00 99 H 9.07 4.66 0.00 3.17 3.17 0.00 5.55 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 0.00 100 V 8.36 4.47 0.67 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 0.73 0.00 0.00 0.46 0.00 0.00 101 A 8.58 5.11 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 0.00 0.00 0.00 0.00 0.00 102 I 8.40 5.19 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 1.27 0.00 0.00 103 E 8.65 4.87 0.00 1.97 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 0.00 104 K 8.79 4.02 0.00 2.17 1.89 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.59 1.60 7.81 105 G 7.90 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 0.00 106 Q 7.36 4.39 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 107 L 7.95 4.20 0.00 1.72 1.61 1.11 0.85 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 0.00 108 Q 8.54 4.21 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 109 V 8.63 3.43 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 0.68 0.00 0.00 0.89 0.00 0.00 110 A 7.93 4.01 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 0.00 111 R 7.63 3.79 0.00 2.04 1.96 0.00 3.53 0.00 0.00 3.53 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 *113 E 8.37 3.91 0.00 1.82 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 2.10 2.25 0.00 114 A 7.40 3.56 0.06 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 0.00 115 L 6.88 3.91 0.00 1.39 1.27 1.12 0.51 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 0.00 116 A 7.61 4.34 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 0.00 117 A 7.79 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 4.04 0.00 1.53 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 119 F 7.06 5.26 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.98 4.28 0.00 4.02 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 0.00 121 A 7.39 4.69 1.25 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 0.00 0.00 122 P 0.00 4.72 0.00 2.13 2.03 0.00 3.43 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 123 S 8.63 4.51 0.00 3.52 3.71 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 0.00 124 F 9.08 4.83 0.00 2.99 3.05 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 0.00 125 D 7.89 5.03 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 0.00 126 L 7.78 4.84 0.00 1.92 1.75 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.85 5.25 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 3.69 1.27 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.74 0.00 0.00 129 T 8.09 3.78 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 1.17 0.00 0.00 130 S 7.89 4.22 0.00 3.89 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 0.00 131 F 7.98 4.03 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.54 3.59 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 1.48 0.82 0.76 0.00 0.00 133 E 8.02 3.86 0.00 2.02 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 134 H 7.58 4.58 0.00 3.02 3.08 0.00 5.76 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 * Residues marked with a * may have inaccurate shift predictions.