NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2992 8.2644 123.5852 52.2626 21.0797 178.6509 6 L 3.9936 7.9406 116.9900 57.5973 42.2165 177.1605 7 R 3.9536 7.8679 118.5350 59.3166 30.2439 177.7293 8 S 4.3028 8.0388 112.3795 60.1194 63.3870 175.5053 9 V 4.2848 7.6113 113.5578 60.0142 32.0987 175.6082 10 G 3.9620 7.8762 106.3977 46.3471 0.0000 176.2290 11 G 3.8558 7.7918 109.7766 44.7561 0.0000 173.6016 *13 V 3.8466 8.0390 118.2450 62.7904 32.3073 176.2301 14 I 4.2332 8.2981 127.9276 60.1384 36.7408 175.6499 15 E 4.2255 8.7272 126.5659 58.6387 29.8911 177.4788 16 S 4.6505 7.4676 110.2422 56.2240 65.5719 171.8985 17 P 4.6883 0.0000 0.0000 62.7898 31.9236 176.1359 18 R 4.6059 9.0721 119.6181 55.1634 31.6327 174.8040 19 N 4.8201 7.5760 115.4965 50.9631 41.0811 174.9149 20 E 4.0559 8.6866 119.7751 59.8235 29.3637 179.8545 21 T 4.0188 7.9565 115.3588 66.7294 68.5869 176.5211 22 E 4.0276 9.0533 121.0039 59.5478 29.4945 178.7804 23 H 4.1691 8.5020 118.3804 59.1189 29.8620 177.0836 24 W 4.0486 8.5101 130.1632 60.3067 30.4936 177.6796 25 L 2.9827 8.3149 120.3647 57.8301 41.5231 178.9313 26 L 3.8597 7.9746 119.0390 57.9068 41.4895 179.4534 27 E 3.9144 8.0414 118.4494 59.4126 29.3299 179.6121 28 T 3.5778 7.5724 115.9875 66.5886 68.4849 176.9923 29 V 3.5729 7.6414 120.3322 65.6955 31.4152 178.1622 30 G 3.5665 8.3176 105.9842 47.8429 0.0000 175.6078 31 R 3.8441 8.0979 121.6492 59.1841 30.1255 178.6562 32 Q 3.9244 8.1175 117.6411 58.7068 28.6817 178.5619 33 A 3.9310 8.4138 122.2273 55.1048 18.5753 179.2095 34 Q 3.8816 8.1828 118.2626 59.7791 28.8876 178.9343 35 Q 4.0191 8.1707 117.3345 58.5162 28.8132 177.8249 36 A 4.3569 7.8780 119.3196 51.7879 18.8896 177.7321 37 G 3.8025 7.8215 105.2757 45.8756 0.0000 173.4899 38 I 4.6533 7.4264 111.6896 57.8870 41.8392 177.1756 39 G 3.4814 8.9409 113.0170 46.4877 0.0000 173.7307 *41 P 4.2580 0.0000 0.0000 62.0248 33.6588 177.3949 42 T 4.0251 8.4650 118.5062 63.9231 69.7159 173.5456 43 V 4.8962 8.3838 124.3654 61.1310 34.5946 174.0308 44 A 5.0512 8.9439 127.9018 50.4006 23.0837 174.5396 45 I 5.1780 8.4195 119.5315 59.6909 40.2259 174.6396 46 Y 5.0042 8.7924 122.8402 55.2648 42.1376 173.8675 47 D 4.8780 8.7649 120.1700 53.7782 41.8162 176.0461 48 S 4.6095 8.1705 116.6954 57.0633 65.7550 175.5282 49 A 4.0588 8.7744 128.8983 54.7339 18.5806 178.0371 50 D 4.4372 7.9242 116.0714 54.5621 41.5144 175.9366 51 I 4.5608 8.1176 122.8541 60.5727 37.7948 174.1396 52 N 5.4138 8.5073 124.8042 51.8490 42.6046 172.7238 53 A 5.3958 8.7700 125.5826 50.1870 23.0230 174.7284 54 F 5.4396 8.9742 115.1909 55.4482 41.7691 173.6063 55 A 5.0960 8.9751 120.2986 51.3721 22.6214 175.6804 56 T 4.7621 9.1406 114.2021 60.2822 71.6339 174.1472 57 G 4.1574 8.9549 113.7839 45.7695 0.0000 172.5465 58 A 4.8454 8.1126 123.0675 51.0046 19.0713 179.5991 59 K 3.8956 8.8770 121.1800 59.6439 32.2970 178.7367 60 R 4.0127 8.0785 113.5684 58.4927 29.3976 176.3647 61 D 4.9229 7.5064 116.4660 52.0737 42.7444 175.9991 62 D 4.4688 8.3637 121.4473 54.1222 41.7028 176.4944 63 S 4.4872 8.4977 117.8273 58.8601 63.6218 172.5815 64 L 5.1309 8.8347 127.5631 53.7152 46.1780 174.2949 65 V 4.7173 8.9862 124.9734 60.9658 34.5930 173.8870 66 A 5.0687 8.8585 129.4072 50.0867 21.8511 175.0278 67 V 4.9365 8.5674 115.6602 59.3443 35.3139 175.8166 68 S 4.2212 8.8041 118.8339 57.7637 64.1903 175.3646 69 T 3.9348 8.4462 112.4647 65.0373 68.3225 176.8949 70 G 3.6484 7.9779 109.8198 46.7456 0.0000 175.4153 71 L 3.9636 7.7719 121.7479 58.1591 42.2762 178.8957 72 L 4.1083 7.5381 116.8952 57.9985 41.5564 178.7407 73 H 4.3563 8.4196 117.8355 57.9637 30.1188 175.9296 74 N 4.8376 7.7810 117.7653 52.0087 40.0501 174.4860 *76 T 4.0339 7.2217 108.8260 61.1409 70.4819 174.8219 77 R 3.4464 8.1941 120.5925 59.4838 29.8063 178.9772 78 D 4.4306 8.0356 117.9765 57.4450 40.7358 178.5961 79 E 3.9923 8.2467 118.7452 59.4700 29.4269 179.3648 80 A 4.1298 8.4214 121.1133 55.2532 18.4465 179.4761 81 E 3.9792 8.9052 117.2635 59.4540 29.4855 179.5435 82 A 4.0015 7.8989 121.0255 55.0876 18.5012 179.7900 83 V 3.5715 7.6053 116.8119 66.2849 31.6475 178.2894 84 L 4.0049 8.3107 118.7046 57.6254 41.5555 179.2683 85 A 4.0679 8.2026 120.8604 55.5017 17.9379 179.1846 86 H 4.0896 8.2690 116.6804 59.5105 29.9709 177.4151 87 E 4.0630 8.4323 120.4748 59.3079 29.2518 179.3427 88 V 3.6037 8.3418 119.0866 66.0106 30.9918 178.1542 89 S 4.0728 7.9196 113.5433 61.7660 62.6236 176.4134 90 H 4.2162 7.7257 119.2342 58.5809 28.3971 177.4969 91 I 3.7465 7.8844 121.4727 64.7043 36.7989 178.3406 92 A 4.0168 7.9610 119.6218 54.5875 18.2580 178.4670 93 N 4.6447 7.5861 111.9828 53.0536 38.9942 175.7349 94 G 4.2695 8.3289 109.5835 46.0369 0.0000 172.9970 95 D 5.0695 7.6361 120.5866 53.8987 43.9191 177.2563 *97 V 4.1097 8.2854 125.3289 63.0784 33.0681 174.2495 98 T 5.4703 7.9630 115.5754 59.7950 71.1742 172.3654 *100 T 4.3953 8.3069 117.7562 63.7981 69.4878 174.0620 101 L 4.9538 8.3153 125.6656 53.3407 45.2440 175.3335 *103 Q 4.0457 8.6800 117.8612 56.6184 30.0439 176.0196 104 G 3.7241 8.6226 110.8402 45.8052 0.0000 173.4457 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 5 A 8.26 4.30 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 6 L 7.94 3.99 0.00 1.88 1.69 0.93 0.65 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 7 R 7.87 3.95 0.00 1.93 1.92 0.00 3.23 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 8 S 8.04 4.30 0.00 4.02 3.95 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 0.00 0.00 0.00 9 V 7.61 4.28 1.85 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 0.62 0.00 0.00 0.90 0.00 0.00 10 G 7.88 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 11 G 7.79 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 *13 V 8.04 3.85 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 0.83 0.00 0.00 0.94 0.00 0.00 14 I 8.30 4.23 1.87 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 1.31 0.71 0.95 0.00 0.00 15 E 8.73 4.23 0.00 1.96 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 2.31 2.30 0.00 16 S 7.47 4.65 0.00 3.93 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 17 P 0.00 4.69 0.00 2.26 2.15 0.00 3.72 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 2.00 2.04 0.00 18 R 9.07 4.61 0.00 1.87 1.94 0.00 3.21 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 19 N 7.58 4.82 0.00 2.97 2.91 0.00 0.00 6.19 7.66 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 20 E 8.69 4.06 0.00 2.02 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 2.42 2.36 0.00 21 T 7.96 4.02 4.44 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 1.33 0.00 0.00 22 E 9.05 4.03 0.00 2.15 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 2.37 2.51 0.00 23 H 8.50 4.17 0.00 3.34 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.51 4.05 0.00 3.45 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 25 L 8.31 2.98 0.00 2.04 1.79 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.86 0.00 1.67 1.64 0.92 1.07 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 27 E 8.04 3.91 0.00 1.83 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 2.25 2.14 0.00 28 T 7.57 3.58 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 0.92 0.00 0.00 29 V 7.64 3.57 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 0.87 0.00 0.00 0.79 0.00 0.00 30 G 8.32 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.84 0.00 1.88 2.05 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 Q 8.12 3.92 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 33 A 8.41 3.93 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 34 Q 8.18 3.88 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 35 Q 8.17 4.02 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 36 A 7.88 4.36 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 37 G 7.82 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 0.00 0.00 0.00 38 I 7.43 4.65 1.86 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 1.33 0.76 0.90 0.00 0.00 39 G 8.94 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 P 0.00 4.26 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.10 0.00 42 T 8.46 4.03 4.31 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 1.20 0.00 0.00 43 V 8.38 4.90 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 1.02 0.00 0.00 0.86 0.00 0.00 44 A 8.94 5.05 1.17 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 45 I 8.42 5.18 1.90 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 0.74 0.96 0.00 0.00 46 Y 8.79 5.00 0.00 3.14 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 8.76 4.88 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 48 S 8.17 4.61 0.00 3.80 3.37 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 49 A 8.77 4.06 1.28 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 0.00 0.00 50 D 7.92 4.44 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 51 I 8.12 4.56 2.10 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 1.38 0.63 0.94 0.00 0.00 52 N 8.51 5.41 0.00 2.92 2.77 0.00 0.00 6.74 7.72 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 53 A 8.77 5.40 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 5.44 0.00 3.13 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 55 A 8.98 5.10 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 56 T 9.14 4.76 4.31 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 1.33 0.00 0.00 57 G 8.95 4.16 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 0.00 0.00 0.00 58 A 8.11 4.85 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 59 K 8.88 3.90 0.00 1.75 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 60 R 8.08 4.01 0.00 1.91 2.07 0.00 3.01 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 61 D 7.51 4.92 0.00 2.74 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 62 D 8.36 4.47 0.00 2.67 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 63 S 8.50 4.49 0.00 3.90 3.73 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 64 L 8.83 5.13 0.00 1.78 1.44 0.93 0.59 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 65 V 8.99 4.72 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 0.83 0.00 0.00 0.88 0.00 0.00 66 A 8.86 5.07 0.30 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 67 V 8.57 4.94 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 0.76 0.00 0.00 0.98 0.00 0.00 68 S 8.80 4.22 0.00 3.59 3.55 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 69 T 8.45 3.93 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 1.25 0.00 0.00 70 G 7.98 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.77 3.96 0.00 1.77 1.90 1.02 1.03 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 72 L 7.54 4.11 0.00 1.83 1.73 0.98 1.28 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 H 8.42 4.36 0.00 3.18 3.45 0.00 5.71 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 74 N 7.78 4.84 0.00 2.83 2.95 0.00 0.00 7.01 7.93 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 *76 T 7.22 4.03 4.16 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 1.16 0.00 0.00 77 R 8.19 3.45 0.00 1.67 2.07 0.00 2.84 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 78 D 8.04 4.43 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 79 E 8.25 3.99 0.00 2.18 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 2.34 2.33 0.00 80 A 8.42 4.13 1.61 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 0.00 0.00 81 E 8.91 3.98 0.00 2.35 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 2.47 3.05 0.00 82 A 7.90 4.00 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 83 V 7.61 3.57 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 1.09 0.00 0.00 1.02 0.00 0.00 84 L 8.31 4.00 0.00 1.69 1.75 0.79 1.14 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 85 A 8.20 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 86 H 8.27 4.09 0.00 3.32 3.52 0.00 5.79 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 87 E 8.43 4.06 0.00 2.20 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 2.42 2.60 0.00 88 V 8.34 3.60 2.17 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 1.03 0.00 0.00 0.96 0.00 0.00 89 S 7.92 4.07 0.00 4.03 4.03 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 90 H 7.73 4.22 0.00 3.38 3.37 0.00 5.64 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 91 I 7.88 3.75 2.02 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 1.35 0.90 0.91 0.00 0.00 92 A 7.96 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.64 0.00 2.95 2.98 0.00 0.00 7.03 7.53 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 94 G 8.33 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 0.00 0.00 0.00 0.00 95 D 7.64 5.07 0.00 2.77 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 0.00 0.00 0.00 0.00 *97 V 8.29 4.11 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 0.85 0.00 0.00 0.90 0.00 0.00 98 T 7.96 5.47 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 1.20 0.00 0.00 *100 T 8.31 4.40 4.28 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 1.32 0.00 0.00 101 L 8.32 4.95 0.00 1.50 1.60 0.95 0.87 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 *103 Q 8.68 4.05 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 104 G 8.62 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.