NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4180 8.3349 116.7898 58.7303 64.7820 174.9396 2 D 4.3717 7.9628 116.9588 55.1876 41.0689 175.7933 3 K 4.2613 8.6378 118.0253 56.7316 33.5826 176.4137 4 I 3.8995 7.5422 121.0029 60.9814 37.4939 175.3245 5 I 4.3310 7.6402 123.6865 59.6112 38.1788 174.4336 6 H 4.7064 8.7280 127.3724 55.6941 30.4936 174.0855 7 L 5.0074 8.2105 124.0101 53.1937 45.6043 174.5296 8 T 5.0072 7.9764 108.3894 58.8699 71.9147 173.6926 9 D 4.5725 8.6711 119.4859 57.4285 40.8019 178.0246 10 D 4.5555 8.0480 116.0006 56.1404 41.4290 176.6247 11 S 4.7279 7.8845 114.1371 58.4329 62.7422 175.3873 12 F 4.1730 8.2296 122.8325 59.6726 39.4669 176.4199 13 D 4.4303 8.1572 118.1757 56.0113 39.1332 178.2643 14 T 4.1304 7.6355 115.9782 65.9413 69.1180 176.3522 15 D 4.3326 7.3515 119.0205 56.6776 41.0921 177.9613 16 V 3.8123 6.7943 115.7972 64.7422 32.5730 176.5244 17 L 3.6019 6.7866 116.9413 57.6749 41.7194 178.1202 18 K 4.1646 7.6053 123.8289 55.7760 31.3509 175.9902 19 A 4.3734 7.9650 125.8574 51.3431 21.9457 174.7564 20 D 4.6479 8.5126 118.6894 53.7043 41.5457 177.6338 21 G 3.8812 8.3584 120.7056 46.3545 0.0000 174.2635 22 A 4.8148 8.6642 125.7354 50.6526 20.9788 176.3825 23 I 4.9549 8.4504 121.1473 60.0159 42.2023 174.7342 24 L 5.1498 8.5099 126.3391 53.2633 45.0745 175.8737 25 V 4.1435 8.2779 119.1694 61.6449 34.6211 173.6819 26 D 4.8135 8.6577 128.9700 53.8494 41.5647 175.4758 27 F 4.5103 8.6863 128.1086 56.2008 37.8433 175.5015 28 W 4.8292 8.3507 120.1943 55.4661 31.0576 178.0723 29 A 4.3612 9.1861 117.3159 53.0132 20.1444 177.8108 30 E 4.1712 9.2069 117.5197 57.7961 28.9056 175.3309 31 W 4.6498 7.9908 117.7352 54.5137 26.9508 175.7007 32 C 4.0479 8.0791 118.7589 63.7877 31.2141 171.0461 33 G 3.8614 9.5912 119.1949 43.2929 0.0000 170.9251 34 P 3.4996 0.0000 0.0000 58.0788 35.4370 176.1694 35 I 4.0652 7.3301 112.7106 59.9698 39.3760 173.5788 36 E 4.4426 7.9795 116.1620 57.7422 31.1178 177.1375 37 E 3.5926 7.6147 118.6627 59.3345 30.4304 177.1974 38 S 4.5455 7.7340 118.8307 56.9388 62.4910 174.0911 39 D 4.8332 8.4853 131.1167 54.2930 39.6934 176.8770 40 D 4.8412 7.4765 116.6829 55.3145 43.1745 177.0172 41 R 4.4750 7.3537 116.7355 54.0404 30.0107 174.6887 42 R 4.4346 7.8879 117.6434 55.1775 32.4268 175.0167 43 Y 4.5811 8.0931 118.6396 56.7860 39.4346 173.7447 44 D 4.7524 8.4191 126.7418 54.7412 41.5292 178.0686 45 L 3.9185 7.6781 119.6602 58.5630 40.6563 176.9272 46 V 3.4939 6.5470 120.2426 58.0421 33.9586 175.5508 47 G 4.2539 8.2885 109.9733 44.9140 0.0000 171.3309 48 P 4.5734 0.0000 0.0000 62.4304 32.3494 175.2807 49 C 3.6103 7.6807 116.4040 60.2417 28.8381 175.2413 50 K 4.4279 8.4493 127.4456 56.2138 31.2581 177.0315 51 M 4.2115 7.7232 115.8847 56.5970 32.3729 178.9177 52 I 3.5651 7.8094 122.1595 63.7610 37.5078 177.8316 53 A 4.0275 8.3423 124.0521 54.7890 18.2835 177.7769 54 P 4.5980 0.0000 0.0000 63.4088 31.0633 176.7566 55 I 4.4294 8.0069 120.0177 62.2695 39.7947 177.7702 56 L 4.1330 7.9112 118.2900 57.1785 41.6432 178.5486 57 D 4.5053 7.6176 118.1205 57.3955 40.7978 178.2313 58 E 4.1516 8.0416 117.6291 59.0936 29.6653 178.8448 59 I 3.7818 7.2336 119.8598 63.9918 37.4497 175.4872 *67 L 4.1733 7.6193 117.5856 55.8141 41.5233 175.1707 68 T 4.7338 7.5308 110.5418 62.0062 70.9522 173.9289 69 V 4.5098 8.2422 123.5032 61.3367 34.6288 174.8918 70 A 4.8847 8.2662 129.5007 51.4777 22.0297 175.3393 71 K 4.9581 7.9640 113.1410 55.9989 37.2896 175.1805 72 L 4.4892 8.4271 126.0433 52.9623 46.3126 174.5396 73 N 4.5717 8.0847 120.3661 50.3416 41.0150 174.9248 74 I 4.2260 8.3180 119.3759 62.3450 38.4504 176.9874 75 D 4.3013 7.7322 121.1094 56.5927 40.6117 176.9833 76 Q 4.4906 7.9360 114.8035 55.9306 29.6957 175.8011 77 N 5.1146 7.5204 115.7649 51.7127 39.6205 173.0135 78 P 4.6471 0.0000 0.0000 62.9083 31.9299 177.6562 79 G 3.8747 7.9342 108.3313 47.3118 0.0000 176.0256 80 T 3.9441 7.9784 116.9879 66.5385 68.9770 176.8940 81 A 3.9515 8.1862 123.7900 54.7516 18.6413 177.7625 82 P 4.3096 0.0000 0.0000 65.4582 31.6884 178.9261 83 K 3.8631 7.7084 117.2250 59.0639 31.8640 177.3940 84 Y 4.4038 7.9265 112.9514 57.0950 38.1372 175.4647 85 G 3.7527 7.6143 106.2986 46.6420 0.0000 175.1729 86 I 3.8083 7.3152 121.6232 60.8949 35.5982 176.5676 87 R 4.1787 8.2907 124.0736 57.0496 30.6277 177.0715 88 G 4.0121 7.3481 104.2785 44.4967 0.0000 172.3474 89 I 4.7382 7.5098 113.6000 57.9056 40.9987 173.1399 90 P 4.9045 0.0000 0.0000 62.2371 32.5083 174.9759 91 T 4.6729 8.6670 120.9301 61.7356 71.0250 173.5342 92 L 4.9553 8.3328 127.7901 53.0761 42.1249 175.2057 93 L 4.4318 8.5161 124.5660 53.3963 43.5749 175.5901 94 L 4.5112 8.2819 126.4111 54.1396 43.4151 175.7289 95 F 5.4877 9.5270 127.5371 55.7585 39.2058 174.2959 96 K 4.5566 8.4859 125.6285 54.5608 33.9085 175.8062 97 N 3.9476 8.9587 126.8777 54.6216 36.4281 174.7746 98 G 4.0477 8.6510 100.6163 46.4400 0.0000 173.1225 99 E 4.7739 8.0978 119.9475 54.4921 32.8408 173.1951 100 V 5.0941 8.4715 116.9137 60.3239 33.5422 175.1620 101 A 4.2096 8.6603 130.4359 54.1389 18.8476 176.5878 102 A 4.9938 7.5840 115.8844 50.6885 22.9710 174.4617 103 T 4.8023 8.5151 109.1012 59.0114 72.0969 174.1149 104 K 4.0485 8.1933 123.1049 55.1118 34.5726 174.7436 105 V 4.2125 8.2885 120.4994 60.4534 33.8769 172.9717 106 G 3.6675 8.1236 116.9727 44.8394 0.0000 173.4933 107 A 4.1696 8.3672 128.2266 52.3891 18.9280 175.9566 108 L 4.6754 7.8346 118.1985 53.1132 43.7946 176.7636 109 S 4.4904 8.2603 114.7661 57.7444 65.6437 174.4787 110 K 4.1426 8.5791 120.9406 59.5777 31.5728 179.0863 111 G 3.6307 7.9688 105.2756 47.1167 0.0000 175.3162 112 Q 4.3383 7.9662 119.1955 57.6558 29.1848 177.5438 113 L 4.1893 7.8868 121.0692 57.5057 41.9903 178.8463 114 K 4.0065 7.8750 119.9220 59.4412 31.9347 178.6020 115 E 3.9756 7.6275 116.6858 59.3063 29.6454 178.9127 116 F 4.5310 8.1745 120.4057 61.1264 39.5957 177.4662 117 L 3.6808 7.7012 118.4076 57.9036 41.3666 179.1155 118 D 4.5477 8.2246 116.2620 55.7554 40.7007 177.2550 119 A 4.7495 7.1035 120.3772 51.5832 20.3641 176.8334 120 N 4.8750 7.9247 117.1347 55.5154 45.5093 176.2742 121 L 4.2427 7.8815 116.8228 56.0076 42.5972 176.3111 122 A 4.1320 7.5422 124.0292 52.6552 18.9287 175.7885 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 1 S 8.33 4.42 0.00 3.85 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 2 D 7.96 4.37 0.00 2.74 2.71 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 3 K 8.64 4.26 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.60 7.81 4 I 7.54 3.90 2.05 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 1.36 0.34 0.96 0.00 0.00 5 I 7.64 4.33 1.84 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 1.09 0.73 0.91 0.00 0.00 6 H 8.73 4.71 0.00 3.25 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.21 5.01 0.00 1.53 1.53 0.72 0.81 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 8 T 7.98 5.01 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 1.25 0.00 0.00 9 D 8.67 4.57 0.00 2.71 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 D 8.05 4.56 0.00 2.69 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 11 S 7.88 4.73 0.00 3.82 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 12 F 8.23 4.17 0.00 3.35 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 13 D 8.16 4.43 0.00 2.96 2.98 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 0.00 0.00 0.00 0.00 14 T 7.64 4.13 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 15 D 7.35 4.33 0.00 2.65 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 16 V 6.79 3.81 1.00 0.00 0.00 0.00 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 0.22 0.00 0.00 17 L 6.79 3.60 0.00 1.73 1.65 1.10 1.13 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 18 K 7.61 4.16 0.00 1.86 1.76 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 19 A 7.96 4.37 1.21 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 0.00 0.00 20 D 8.51 4.65 0.00 2.63 2.61 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 21 G 8.36 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 22 A 8.66 4.81 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 23 I 8.45 4.95 1.87 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 1.23 0.77 0.91 0.00 0.00 24 L 8.51 5.15 0.00 1.63 1.66 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.28 4.14 2.38 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 0.52 0.00 0.00 1.29 0.00 0.00 26 D 8.66 4.81 0.00 2.97 2.73 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 27 F 8.69 4.51 0.00 3.22 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 28 W 8.35 4.83 0.00 3.63 3.30 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 29 A 9.19 4.36 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 30 E 9.21 4.17 0.00 2.30 2.27 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 2.60 2.36 0.00 31 W 7.99 4.65 0.00 3.52 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 32 C 8.08 4.05 0.00 3.09 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 33 G 9.59 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 34 P 0.00 3.50 0.00 0.52 1.63 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 0.00 35 I 7.33 4.07 1.75 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 1.41 0.48 0.75 0.00 0.00 36 E 7.98 4.44 0.00 2.05 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 0.00 2.20 2.33 0.00 37 E 7.61 3.59 0.00 1.90 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 2.30 2.27 0.00 38 S 7.73 4.55 0.00 3.88 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 39 D 8.49 4.83 0.00 3.12 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 40 D 7.48 4.84 0.00 2.65 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 41 R 7.35 4.47 0.00 1.76 1.79 0.00 3.12 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 42 R 7.89 4.43 0.00 1.50 1.67 0.00 3.67 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 43 Y 8.09 4.58 0.00 2.74 2.91 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 0.00 0.00 0.00 0.00 44 D 8.42 4.75 0.00 2.72 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 45 L 7.68 3.92 0.00 1.55 1.55 0.19 0.11 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 46 V 6.55 3.49 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 0.83 0.00 0.00 1.02 0.00 0.00 47 G 8.29 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 0.00 0.00 0.00 48 P 0.00 4.57 0.00 2.21 2.19 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 1.97 2.00 0.00 49 C 7.68 3.61 0.00 3.00 2.97 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 50 K 8.45 4.43 0.00 1.94 1.99 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.47 7.81 51 M 7.72 4.21 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 52 I 7.81 3.57 1.89 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 1.24 0.70 0.92 0.00 0.00 53 A 8.34 4.03 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 54 P 0.00 4.60 0.00 2.03 2.15 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 55 I 8.01 4.43 1.96 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 1.29 0.93 0.91 0.00 0.00 56 L 7.91 4.13 0.00 1.61 1.74 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.62 4.51 0.00 2.70 2.73 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 58 E 8.04 4.15 0.00 1.93 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 2.41 0.00 59 I 7.23 3.78 2.04 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 1.58 0.59 0.91 0.00 0.00 *67 L 7.62 4.17 0.00 1.78 1.76 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.53 4.73 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 1.19 0.00 0.00 69 V 8.24 4.51 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 1.04 0.00 0.00 1.02 0.00 0.00 70 A 8.27 4.88 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 71 K 7.96 4.96 0.00 1.83 2.16 0.00 1.58 0.00 0.00 1.20 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.66 1.46 7.81 72 L 8.43 4.49 0.00 1.35 0.87 0.99 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.08 4.57 0.00 1.44 2.16 0.00 0.00 7.45 7.82 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 74 I 8.32 4.23 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.33 1.08 0.00 0.00 75 D 7.73 4.30 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.49 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.31 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 77 N 7.52 5.11 0.00 2.72 2.84 0.00 0.00 6.96 8.04 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 78 P 0.00 4.65 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 79 G 7.93 3.87 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 0.00 0.00 0.00 80 T 7.98 3.94 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 0.87 0.00 0.00 81 A 8.19 3.95 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 82 P 0.00 4.31 0.00 2.16 2.10 0.00 3.59 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 2.27 2.11 0.00 83 K 7.71 3.86 0.00 1.31 1.33 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.61 7.81 84 Y 7.93 4.40 0.00 2.83 2.94 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 85 G 7.61 3.75 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 0.00 0.00 0.00 86 I 7.32 3.81 1.61 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 0.86 0.34 0.67 0.00 0.00 87 R 8.29 4.18 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 88 G 7.35 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 0.00 0.00 0.00 89 I 7.51 4.74 2.31 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 1.03 0.00 0.00 90 P 0.00 4.90 0.00 2.25 2.38 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 91 T 8.67 4.67 4.13 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 0.00 0.00 0.00 1.14 0.00 0.00 92 L 8.33 4.96 0.00 1.57 1.78 1.03 0.72 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 93 L 8.52 4.43 0.00 1.83 1.49 0.84 0.23 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 94 L 8.28 4.51 0.00 1.89 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.53 5.49 0.00 3.15 2.97 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 96 K 8.49 4.56 0.00 1.80 1.70 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.38 7.81 97 N 8.96 3.95 0.00 2.90 2.91 0.00 0.00 7.06 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 98 G 8.65 4.05 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 0.00 0.00 0.00 99 E 8.10 4.77 0.00 2.04 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 2.27 2.32 0.00 100 V 8.47 5.09 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 0.59 0.00 0.00 0.50 0.00 0.00 101 A 8.66 4.21 1.26 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 0.00 0.00 0.00 102 A 7.58 4.99 1.49 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 0.00 103 T 8.52 4.80 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 1.19 0.00 0.00 104 K 8.19 4.05 0.00 0.79 1.20 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.99 0.65 7.81 105 V 8.29 4.21 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 0.87 0.00 0.00 106 G 8.12 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.37 4.17 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 0.00 108 L 7.83 4.68 0.00 1.88 1.58 0.95 0.63 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 0.00 109 S 8.26 4.49 0.00 4.08 4.09 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 0.00 0.00 0.00 110 K 8.58 4.14 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 111 G 7.97 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.97 4.34 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 113 L 7.89 4.19 0.00 1.98 1.71 1.09 0.11 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 0.00 114 K 7.88 4.01 0.00 2.06 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.49 7.81 115 E 7.63 3.98 0.00 2.19 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 2.38 2.35 0.00 116 F 8.17 4.53 0.00 3.01 3.09 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 0.00 0.00 0.00 117 L 7.70 3.68 0.00 1.66 1.63 0.94 1.39 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 0.00 118 D 8.22 4.55 0.00 2.70 2.71 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 0.00 119 A 7.10 4.75 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 0.00 120 N 7.92 4.88 0.00 2.64 2.59 0.00 0.00 6.81 7.78 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 0.00 121 L 7.88 4.24 0.00 1.57 1.67 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.54 4.13 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 * Residues marked with a * may have inaccurate shift predictions.