NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4451 8.3301 117.1022 57.4969 64.3368 173.3687 23 A 4.1162 8.2089 118.9232 52.7751 20.0992 175.4403 24 L 3.7702 8.4882 121.8688 58.4948 42.3532 177.3024 25 H 3.9738 7.9867 113.7082 59.0444 28.3522 177.2755 26 W 4.7626 7.5918 123.3076 59.9995 28.8382 179.3074 27 R 3.9223 8.0248 120.3965 61.5411 28.8859 180.7526 28 A 4.1513 8.5607 122.1329 54.7899 18.1503 179.6954 29 A 3.9997 8.0709 119.4130 55.2842 18.5334 179.7711 30 G 3.6626 8.0110 103.8140 48.0960 0.0000 175.3063 31 A 3.9634 8.2595 123.6189 54.9086 18.3524 179.5451 32 A 3.9638 8.1574 119.2738 55.6959 18.4610 180.0580 33 T 3.7397 8.1579 114.6605 66.4977 68.4717 177.3030 34 V 3.5605 7.8868 120.3882 65.9035 31.6271 178.1114 35 L 3.9728 8.3079 119.2046 57.5576 41.4330 179.1962 36 L 3.8394 7.9587 120.2500 58.2483 42.0441 179.0956 37 V 3.5941 7.6119 117.9230 66.2458 31.3137 178.0684 38 I 3.7348 7.8524 119.4334 64.3083 36.9380 178.6204 39 V 3.6065 8.3532 119.5173 65.7444 31.2387 178.0409 40 L 3.9689 8.5264 119.0988 57.7997 41.5440 179.4833 41 L 4.0283 7.9433 118.4346 57.9262 41.6055 179.4387 42 A 4.2000 8.3579 120.9490 55.1877 18.2499 179.8559 43 G 3.7861 8.7293 104.5537 48.1565 0.0000 176.1288 44 S 4.4488 8.5595 117.8742 61.5479 63.0035 176.1878 45 Y 4.3731 8.3457 122.1778 60.9745 38.5774 178.1277 46 L 4.1011 8.7494 120.1401 57.5283 41.6034 179.3654 47 A 3.8968 8.3847 121.1065 55.0998 18.3117 179.8516 48 V 3.4794 7.4516 116.8571 65.9825 31.3197 177.9429 49 L 3.8154 7.3959 118.2793 58.0930 41.9406 178.4916 50 A 4.2303 7.9120 119.8868 54.7761 18.7542 178.9669 51 E 4.0726 8.4727 117.3915 57.9063 29.8995 177.6586 52 R 4.1132 7.3294 117.6649 57.5289 30.5347 176.7715 53 G 3.8779 8.9803 109.5113 45.0605 0.0000 173.1923 54 A 4.5068 7.9012 123.4623 49.2105 19.3080 174.2297 55 P 4.3221 0.0000 0.0000 65.5029 31.4553 176.5954 56 G 3.9328 8.9354 109.9349 45.2141 0.0000 173.7713 57 A 3.9845 7.6434 122.6202 52.5918 18.6586 177.2209 58 Q 4.3661 8.2980 119.4764 55.8023 31.1748 176.2209 59 L 4.1963 7.3999 122.1944 54.0323 40.5555 175.9863 60 I 4.3775 7.2485 108.6726 60.0224 39.1023 176.4760 61 T 4.3769 7.2499 111.0105 59.5064 72.7924 174.0949 62 Y 4.2411 8.0243 121.2007 60.8396 37.9910 177.1483 63 P 4.4042 0.0000 0.0000 65.7285 31.5629 178.8784 64 R 4.2512 8.1132 114.0799 59.0607 29.5110 178.4195 65 A 4.2467 8.1926 121.8077 55.0779 18.3756 179.3549 66 L 4.6647 8.4166 120.3420 57.4770 42.1033 179.0243 67 W 4.4975 8.3092 128.3042 60.2363 30.6058 177.7192 68 W 4.4059 8.9381 130.0385 60.0761 30.1450 178.0831 69 S 3.2918 8.4529 115.3166 61.2945 62.2772 176.9373 70 V 3.4868 7.6071 120.8384 65.8662 31.1864 177.8478 71 E 3.4379 7.5778 118.3803 59.5290 29.2199 179.6065 72 T 3.5281 7.3942 115.4956 66.4851 68.3023 176.7029 73 A 3.9968 7.8308 122.8713 54.8013 18.1801 178.9230 74 T 3.9518 7.6098 105.9674 61.0030 69.9204 174.7171 75 T 3.3214 7.4829 111.5945 62.5546 68.0446 174.6340 76 V 3.2322 7.3775 122.2429 63.6323 31.8360 176.0229 77 G 3.8262 6.9816 105.5270 46.8007 0.0000 174.6990 78 Y 4.4656 7.9311 118.6162 59.0365 38.3372 177.4182 79 G 4.1023 8.3793 106.0630 46.4677 0.0000 173.8781 80 D 4.7579 8.4041 119.7075 54.1326 40.3370 176.3721 81 L 4.5473 7.5807 118.6011 53.5243 45.7422 174.4553 82 Y 4.8183 7.1860 117.3920 55.3830 40.0943 172.3173 83 P 4.4574 0.0000 0.0000 63.0829 32.0323 176.5547 84 V 4.3544 9.0913 112.7655 61.2565 33.2963 176.5107 85 T 4.5110 7.8498 111.3829 59.6125 71.9372 175.2213 86 L 3.7194 8.0698 123.1313 58.3951 42.0144 179.4193 87 W 4.6177 7.6959 118.2909 59.6862 28.9431 178.6740 88 G 3.6143 8.2930 105.9073 47.9055 0.0000 176.0635 89 R 4.0605 8.3803 120.7956 59.1110 30.1192 178.9408 90 C 4.2196 8.3460 116.7854 62.8149 28.1528 176.2448 91 V 3.7343 8.2758 119.7234 65.9668 31.0495 177.7348 92 A 4.3178 8.5590 120.8812 55.5149 18.2424 179.7372 93 V 3.5642 8.1187 116.6716 66.2054 31.5296 178.4284 94 V 3.6168 7.8092 117.5454 65.9264 31.2742 178.2643 95 V 3.5605 7.9012 118.1134 66.0374 31.3399 177.8752 96 M 3.9638 8.2925 118.8156 58.5234 31.7981 178.9270 97 V 3.5794 7.9809 118.0754 65.9323 31.6406 177.8912 98 A 4.0617 8.3072 120.7982 54.9554 18.1658 179.9582 99 G 3.7235 8.3238 105.8655 47.6214 0.0000 176.0292 100 I 3.8424 8.3962 123.2977 64.3060 37.0159 178.7741 101 T 3.9022 8.1986 116.6617 66.6617 68.2795 177.0212 102 S 4.0067 8.1514 117.0622 61.7541 62.9913 176.9018 103 F 4.3083 8.3006 120.5827 60.3785 38.5721 178.0622 104 G 3.6792 8.3554 105.6671 47.5466 0.0000 175.6448 105 L 4.0235 8.1843 122.9264 57.8349 41.9791 179.2323 106 V 3.6831 7.8877 118.5470 66.0813 31.4033 178.1997 107 T 3.8863 7.9433 115.0153 66.6039 68.2288 176.5606 108 A 3.9483 8.0780 122.4944 54.8863 18.3522 179.6234 109 A 3.5304 7.8183 119.5190 55.1475 18.3886 179.8873 110 L 3.8846 8.1160 117.5194 57.6105 41.5361 179.6704 111 A 3.9989 7.9427 120.8436 55.5647 18.3952 179.8302 112 T 3.6714 7.8643 114.4697 66.2492 68.4663 176.7695 113 W 4.1816 7.7963 130.2294 60.6231 30.7651 178.1487 114 F 4.2091 8.0027 117.8479 60.4785 38.3818 177.8749 115 V 3.6916 8.2374 118.3514 65.8563 31.2388 178.3258 116 G 3.6451 8.1385 105.5072 47.8798 0.0000 175.9410 117 R 4.0298 7.7678 120.1243 59.0044 29.7808 178.8219 118 E 3.8663 8.3416 119.0734 59.0459 29.4923 179.0002 119 Q 3.9923 7.9181 117.8506 58.9061 28.6729 178.1968 120 E 3.9008 7.8773 119.1659 59.6808 29.4198 179.4934 121 R 3.4722 8.1701 119.6089 59.3389 30.0751 178.1496 122 R 4.4867 7.3649 117.7043 56.7407 30.9506 181.0375 123 G 4.0984 9.0453 109.8124 49.1139 0.0000 174.5071 *124 H 4.4919 8.2248 118.1317 54.4550 28.7359 175.7967 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 22 S 8.33 4.45 0.00 3.65 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 23 A 8.21 4.12 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 24 L 8.49 3.77 0.00 1.74 1.57 0.91 0.87 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 25 H 7.99 3.97 0.00 3.11 3.40 0.00 5.71 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 26 W 7.59 4.76 0.00 3.40 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.02 3.92 0.00 1.84 1.93 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 28 A 8.56 4.15 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 29 A 8.07 4.00 1.55 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 0.00 0.00 30 G 8.01 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.26 3.96 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 32 A 8.16 3.96 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 33 T 8.16 3.74 4.35 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 1.16 0.00 0.00 34 V 7.89 3.56 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 1.01 0.00 0.00 0.90 0.00 0.00 35 L 8.31 3.97 0.00 1.64 1.68 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.96 3.84 0.00 1.73 1.74 0.85 0.50 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 37 V 7.61 3.59 2.20 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 0.98 0.00 0.00 0.97 0.00 0.00 38 I 7.85 3.73 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 1.39 0.64 0.90 0.00 0.00 39 V 8.35 3.61 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 0.87 0.00 0.00 0.98 0.00 0.00 40 L 8.53 3.97 0.00 1.87 1.74 0.93 0.55 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 41 L 7.94 4.03 0.00 1.86 1.74 0.92 0.90 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 42 A 8.36 4.20 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 43 G 8.73 3.79 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 0.00 44 S 8.56 4.45 0.00 4.24 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 0.00 45 Y 8.35 4.37 0.00 3.13 3.20 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 0.00 46 L 8.75 4.10 0.00 1.90 1.80 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.38 3.90 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 48 V 7.45 3.48 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 0.57 0.00 0.00 0.58 0.00 0.00 49 L 7.40 3.82 0.00 1.51 1.78 0.85 1.01 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 50 A 7.91 4.23 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.47 4.07 0.00 1.99 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 2.30 2.22 0.00 52 R 7.33 4.11 0.00 1.74 1.81 0.00 3.03 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 53 G 8.98 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 0.00 0.00 0.00 54 A 7.90 4.51 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 55 P 0.00 4.32 0.00 2.17 2.08 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 56 G 8.94 3.93 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 0.00 0.00 0.00 57 A 7.64 3.98 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 58 Q 8.30 4.37 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.52 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 59 L 7.40 4.20 0.00 1.21 1.27 0.60 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.25 4.38 1.73 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 1.54 0.75 0.84 0.00 0.00 61 T 7.25 4.38 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 1.13 0.00 0.00 62 Y 8.02 4.24 0.00 3.20 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 63 P 0.00 4.40 0.00 2.22 2.17 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 64 R 8.11 4.25 0.00 2.22 2.29 0.00 2.96 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 65 A 8.19 4.25 1.55 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 0.00 0.00 66 L 8.42 4.66 0.00 2.05 2.06 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.31 4.50 0.00 3.46 3.43 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 68 W 8.94 4.41 0.00 3.46 3.50 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 69 S 8.45 3.29 0.00 4.11 3.83 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 0.00 0.00 0.00 0.00 70 V 7.61 3.49 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 1.03 0.00 0.00 1.07 0.00 0.00 71 E 7.58 3.44 0.00 1.69 1.55 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 1.47 1.47 0.00 72 T 7.39 3.53 3.61 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 0.92 0.00 0.00 73 A 7.83 4.00 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 74 T 7.61 3.95 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 1.18 0.00 0.00 75 T 7.48 3.32 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 1.19 0.00 0.00 76 V 7.38 3.23 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.46 0.00 0.00 77 G 6.98 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.93 4.47 0.00 3.34 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 79 G 8.38 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 0.00 0.00 0.00 0.00 80 D 8.40 4.76 0.00 2.93 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 81 L 7.58 4.55 0.00 1.85 1.58 1.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.19 4.82 0.00 3.09 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 83 P 0.00 4.46 0.00 2.11 1.83 0.00 4.01 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 84 V 9.09 4.35 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 0.84 0.00 0.00 0.97 0.00 0.00 85 T 7.85 4.51 4.23 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 1.23 0.00 0.00 86 L 8.07 3.72 0.00 1.45 1.13 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.70 4.62 0.00 3.41 3.19 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 88 G 8.29 3.61 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 0.00 89 R 8.38 4.06 0.00 2.00 2.02 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 90 C 8.35 4.22 0.00 3.41 3.18 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 91 V 8.28 3.73 2.46 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 1.31 0.00 0.00 1.16 0.00 0.00 92 A 8.56 4.32 1.76 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 0.00 0.00 93 V 8.12 3.56 2.28 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 1.02 0.00 0.00 1.00 0.00 0.00 94 V 7.81 3.62 2.28 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 0.98 0.00 0.00 1.03 0.00 0.00 95 V 7.90 3.56 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 0.86 0.00 0.00 1.03 0.00 0.00 96 M 8.29 3.96 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.49 0.00 97 V 7.98 3.58 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 1.09 0.00 0.00 0.97 0.00 0.00 98 A 8.31 4.06 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 99 G 8.32 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 0.00 100 I 8.40 3.84 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.93 0.00 0.00 101 T 8.20 3.90 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 1.20 0.00 0.00 102 S 8.15 4.01 0.00 3.68 3.60 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 0.00 103 F 8.30 4.31 0.00 3.16 3.07 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 0.00 104 G 8.36 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.18 4.02 0.00 1.83 1.83 0.90 1.20 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 0.00 106 V 7.89 3.68 2.31 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 1.15 0.00 0.00 0.99 0.00 0.00 107 T 7.94 3.89 4.45 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 0.00 0.00 0.00 1.25 0.00 0.00 108 A 8.08 3.95 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 0.00 109 A 7.82 3.53 1.19 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 0.00 110 L 8.12 3.88 0.00 1.82 1.48 1.04 1.09 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 0.00 111 A 7.94 4.00 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.86 3.67 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 0.92 0.00 0.00 113 W 7.80 4.18 0.00 3.10 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 0.00 114 F 8.00 4.21 0.00 3.06 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 0.00 115 V 8.24 3.69 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 1.00 0.00 0.00 0.97 0.00 0.00 116 G 8.14 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 0.00 117 R 7.77 4.03 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 118 E 8.34 3.87 0.00 2.02 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 2.27 2.37 0.00 119 Q 7.92 3.99 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 120 E 7.88 3.90 0.00 2.16 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 2.35 2.49 0.00 121 R 8.17 3.47 0.00 1.75 2.17 0.00 3.19 0.00 0.00 3.38 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 122 R 7.36 4.49 0.00 1.94 1.78 0.00 3.47 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 123 G 9.05 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 0.00 0.00 0.00 0.00 *124 H 8.22 4.49 0.00 2.92 2.79 0.00 7.24 0.00 0.00 0.00 0.00 6.91 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.