NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.6941 8.1449 118.3194 57.7934 39.2928 174.0082 7 I 4.4421 8.1966 123.6425 58.2713 39.6070 173.4902 8 P 4.4955 0.0000 0.0000 62.2833 32.8655 175.3757 9 D 4.8299 8.4642 120.3569 53.8525 41.9479 175.4345 10 S 4.5474 8.1514 117.6127 57.1735 65.2881 174.8667 11 K 3.9932 8.5033 124.8426 58.5212 32.3180 176.9507 12 F 5.4746 7.4530 116.3564 55.8136 43.0540 174.0983 13 Y 5.0586 9.2201 117.9554 56.2118 42.5438 174.2320 14 K 4.5602 9.4573 124.8663 55.6053 34.1008 175.3325 15 V 4.6044 9.2808 128.5863 61.3869 33.3943 173.9095 16 E 5.1097 9.5726 129.9235 54.5407 31.9676 174.1379 17 A 4.9098 9.1980 130.0557 50.2271 21.8191 175.0452 18 I 4.6497 8.7502 124.8424 60.1000 38.7115 175.3163 19 V 4.9182 8.5638 120.1038 58.9682 36.8363 175.5266 20 R 4.2295 8.2068 120.1168 55.7729 30.0300 176.6218 21 P 4.2868 0.0000 0.0000 65.2687 31.5166 177.8195 22 W 4.6326 8.1564 112.2705 57.2786 28.6332 177.1212 23 R 4.2174 7.5614 118.1739 56.0566 29.6708 177.6143 24 I 3.6459 7.2220 120.6340 64.9302 37.1201 178.1823 25 Q 3.9921 8.0116 117.8962 59.0544 28.6374 178.8422 26 Q 3.9529 7.9586 118.6498 58.8178 28.8108 178.7764 27 V 3.5124 7.8147 119.2114 66.0713 31.5947 178.1560 28 S 4.1123 8.2526 115.1303 61.8913 62.4743 177.0306 29 S 4.1186 8.1123 116.3977 61.4258 62.4225 176.2781 30 A 4.1316 7.9554 123.4415 55.1844 18.1579 179.6868 31 L 3.9429 8.0907 117.5713 57.7993 41.6518 179.3609 32 L 4.0916 7.9593 120.3319 58.2847 41.7381 179.2898 33 K 4.1245 7.7349 117.1150 58.3614 31.9100 178.2578 34 I 4.4082 7.4672 111.1102 60.3730 38.0370 176.1928 35 G 3.7748 7.8623 107.1294 46.2217 0.0000 174.2988 36 I 4.1779 7.5462 120.8987 59.9875 36.3055 175.8831 37 R 4.2967 8.4559 124.6774 56.7726 30.7352 177.4265 38 G 4.2057 7.7806 106.3845 43.5369 0.0000 172.0731 39 V 4.5608 8.2416 122.6680 60.0953 34.8535 174.7551 40 T 4.6075 8.6070 119.4668 61.9731 70.5758 173.6501 41 V 5.0610 8.4077 125.8413 61.1501 34.3880 174.5047 42 S 4.7848 8.9482 120.6273 56.7712 67.0697 172.3726 43 D 4.9833 8.5874 120.7655 53.9507 41.7175 176.2431 44 V 4.6113 8.6268 115.4088 59.6006 36.5545 174.5293 45 R 5.0207 8.4081 119.7589 54.5545 33.3078 175.6198 46 G 4.1915 9.2458 110.6819 44.7373 0.0000 172.4518 47 F 4.8318 8.6245 118.7248 56.3112 40.7194 176.5994 *65 D 4.3815 8.2238 123.2438 54.2595 41.3471 174.9235 66 K 4.2749 7.4019 118.6230 55.5267 33.5399 176.8741 67 F 4.9179 8.3769 120.7764 55.7617 43.3507 173.7297 68 V 4.4764 8.6840 122.2873 60.9435 33.3776 174.7112 69 A 4.5190 8.7257 130.4058 52.0919 19.0952 176.3604 70 K 4.8645 9.0611 120.6469 54.8307 37.5101 175.5278 71 V 4.8799 8.7460 114.1409 59.5441 35.4516 174.8869 72 K 4.8001 9.1048 126.4700 55.5381 33.9264 174.8552 73 M 5.0963 9.3459 127.8346 53.6442 34.6705 174.5906 74 E 5.1915 9.5048 123.6651 54.5069 32.8391 175.0372 75 I 4.8974 8.7629 123.8763 59.3153 41.8860 173.5626 76 V 4.8397 8.5205 128.8888 61.4505 33.0618 174.8838 77 V 4.8240 8.8987 120.1995 59.1367 36.6228 175.4776 78 K 4.3204 8.5154 120.6306 56.1413 32.9613 178.3202 79 K 4.1029 8.7049 123.5547 59.9805 32.0420 178.4355 80 D 4.6683 8.1058 114.6559 54.8560 39.7347 176.9185 81 Q 4.4397 8.1492 118.9378 56.3461 29.3320 177.5297 82 V 3.5487 7.6291 119.9915 66.1271 31.4834 177.5999 83 E 3.9738 8.2466 117.6088 59.5720 29.3894 179.1425 84 S 4.0673 8.0649 112.5684 61.3071 62.3716 176.2416 85 V 3.5658 7.9326 120.8516 65.9759 31.3371 177.8278 86 I 3.6407 7.9591 119.8421 64.6844 36.9557 178.0710 87 N 4.3250 8.2835 117.0436 56.7445 38.4347 177.6958 88 T 4.0201 8.0261 117.0154 66.5904 68.4377 176.8545 89 I 3.6519 7.9991 121.9958 64.4115 37.0983 178.4684 90 I 3.6159 7.7484 120.5208 64.4352 36.7093 178.0950 91 E 4.0154 8.1418 118.3964 59.6523 29.4069 179.5006 92 G 3.6529 7.9239 103.8201 46.7717 0.0000 174.8889 93 A 4.2753 7.7859 121.2756 51.7155 20.0629 177.4677 94 R 4.1300 7.5991 118.7142 56.4669 30.5771 176.1142 95 T 4.3957 9.5224 114.7190 60.9654 70.6252 175.3995 96 G 3.9725 8.8128 109.5440 44.9555 0.0000 172.9224 97 E 4.5791 7.7762 119.1188 54.3415 31.1482 175.6990 98 I 3.7704 8.1858 122.6378 63.2243 37.4578 176.1969 99 G 4.2467 9.0349 113.4126 45.7245 0.0000 174.3992 100 D 4.2783 7.4898 121.0145 55.4544 41.1805 176.3103 101 G 4.3023 8.7307 102.7939 44.8739 0.0000 172.2428 102 K 4.5323 8.1092 115.6437 54.7347 36.9412 175.3497 103 I 4.6480 7.8391 122.4196 59.4621 39.7931 174.9668 104 F 5.0997 9.1990 125.4707 55.6134 42.1986 174.4408 105 V 4.8954 8.5532 122.0709 61.1584 33.5159 174.5582 106 L 5.1037 8.9950 127.9377 51.9088 45.2834 174.3251 107 P 4.1461 0.0000 0.0000 62.8203 31.9102 175.6363 108 V 4.2679 8.2370 122.9745 61.3271 33.1955 176.5724 109 S 4.4636 8.8928 124.6361 61.1924 63.2585 174.2974 110 D 4.6916 7.5789 117.2425 52.7765 44.7288 174.3538 111 V 4.3043 7.9343 121.6152 61.0396 34.5733 174.0845 112 I 4.9203 8.1437 127.3720 59.4138 40.5668 174.7456 113 R 4.1332 8.9215 128.0927 55.4175 29.1937 177.1163 114 V 3.5433 8.6646 126.8555 66.0619 31.8387 177.8664 115 R 4.2193 8.1088 118.4312 58.6475 29.9770 176.7446 116 T 4.3888 7.2195 104.6851 60.1961 70.3758 175.1519 117 G 3.9090 8.5020 109.6925 45.4134 0.0000 173.7070 118 E 4.0882 7.7911 119.6131 56.4431 30.0531 176.1358 119 R 4.9775 8.1216 121.2514 55.8249 34.3080 175.0517 120 G 4.2175 8.6627 111.3680 45.2470 0.0000 176.2605 121 E 4.2107 9.1129 120.4584 59.3772 29.5082 178.7504 122 K 4.1097 8.1606 115.6332 57.7901 32.2286 176.9831 123 A 4.6500 7.8516 120.4910 51.7765 20.6651 177.3589 124 E 4.0507 7.7139 113.2661 58.5804 30.1576 178.1346 125 K 4.1650 7.7912 118.0434 56.0794 32.7692 176.2621 126 M 4.3299 8.5197 123.2222 55.4246 32.4440 176.4730 127 T 4.5932 8.3927 114.1556 61.1941 69.5064 174.4222 128 G 3.8802 7.9363 109.9783 45.4481 0.0000 174.0860 129 D 4.5002 8.3737 120.1320 54.1236 41.5107 176.8337 130 M 4.2371 8.4656 118.0212 55.6910 31.3174 176.1866 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 6 Y 8.14 4.69 0.00 2.93 2.79 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 7 I 8.20 4.44 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.27 0.96 0.00 0.00 8 P 0.00 4.50 0.00 2.11 2.03 0.00 3.81 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 2.08 2.12 0.00 9 D 8.46 4.83 0.00 2.70 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 10 S 8.15 4.55 0.00 3.54 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 11 K 8.50 3.99 0.00 1.72 1.28 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.40 7.81 12 F 7.45 5.47 0.00 3.20 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 13 Y 9.22 5.06 0.00 2.82 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 14 K 9.46 4.56 0.00 1.82 1.72 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 15 V 9.28 4.60 2.08 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 0.84 0.00 0.00 0.91 0.00 0.00 16 E 9.57 5.11 0.00 2.10 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 2.34 2.29 0.00 17 A 9.20 4.91 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 18 I 8.75 4.65 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.95 0.00 0.00 19 V 8.56 4.92 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 0.67 0.00 0.00 0.90 0.00 0.00 20 R 8.21 4.23 0.00 1.32 1.50 0.00 2.75 0.00 0.00 3.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 21 P 0.00 4.29 0.00 2.30 2.15 0.00 3.76 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 22 W 8.16 4.63 0.00 3.56 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 23 R 7.56 4.22 0.00 1.63 1.81 0.00 2.34 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 24 I 7.22 3.65 1.88 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 1.50 0.80 0.90 0.00 0.00 25 Q 8.01 3.99 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 26 Q 7.96 3.95 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 27 V 7.81 3.51 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 0.99 0.00 0.00 0.94 0.00 0.00 28 S 8.25 4.11 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.12 0.00 3.87 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 30 A 7.96 4.13 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 31 L 8.09 3.94 0.00 1.87 1.86 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.96 4.09 0.00 1.95 1.76 0.92 0.54 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 33 K 7.73 4.12 0.00 1.91 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.59 7.81 34 I 7.47 4.41 1.88 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 1.60 0.73 0.91 0.00 0.00 35 G 7.86 3.77 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 0.00 0.00 0.00 36 I 7.55 4.18 2.01 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 0.52 0.92 0.00 0.00 37 R 8.46 4.30 0.00 1.80 1.98 0.00 3.32 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 38 G 7.78 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 0.00 0.00 0.00 39 V 8.24 4.56 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 0.77 0.00 0.00 0.95 0.00 0.00 40 T 8.61 4.61 4.24 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 1.20 0.00 0.00 41 V 8.41 5.06 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 0.83 0.00 0.00 0.92 0.00 0.00 42 S 8.95 4.78 0.00 3.86 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 43 D 8.59 4.98 0.00 2.55 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 44 V 8.63 4.61 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 0.83 0.00 0.00 0.96 0.00 0.00 45 R 8.41 5.02 0.00 1.26 1.54 0.00 2.41 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 46 G 9.25 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 0.00 0.00 0.00 0.00 47 F 8.62 4.83 0.00 3.09 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 *65 D 8.22 4.38 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.40 4.27 0.00 1.61 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 67 F 8.38 4.92 0.00 2.92 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 68 V 8.68 4.48 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 0.92 0.00 0.00 0.98 0.00 0.00 69 A 8.73 4.52 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 70 K 9.06 4.86 0.00 1.65 1.66 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.56 7.81 71 V 8.75 4.88 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 0.71 0.00 0.00 0.97 0.00 0.00 72 K 9.10 4.80 0.00 1.82 1.68 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 73 M 9.35 5.10 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 74 E 9.50 5.19 0.00 1.84 1.83 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 2.23 2.22 0.00 75 I 8.76 4.90 1.87 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 1.13 1.36 0.99 0.00 0.00 76 V 8.52 4.84 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 0.92 0.00 0.00 77 V 8.90 4.82 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 0.74 0.00 0.00 1.05 0.00 0.00 78 K 8.52 4.32 0.00 1.97 1.65 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 1.56 7.81 79 K 8.70 4.10 0.00 2.23 1.93 0.00 1.85 0.00 0.00 2.24 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.82 7.81 80 D 8.11 4.67 0.00 2.82 2.79 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 81 Q 8.15 4.44 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 82 V 7.63 3.55 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 0.74 0.00 0.00 0.81 0.00 0.00 83 E 8.25 3.97 0.00 2.05 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 2.52 2.35 0.00 84 S 8.06 4.07 0.00 3.89 4.02 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 85 V 7.93 3.57 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 1.05 0.00 0.00 1.01 0.00 0.00 86 I 7.96 3.64 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.88 0.00 0.00 87 N 8.28 4.33 0.00 2.75 2.85 0.00 0.00 7.13 6.73 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 88 T 8.03 4.02 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 89 I 8.00 3.65 1.95 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 1.48 0.71 0.84 0.00 0.00 90 I 7.75 3.62 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.87 0.00 0.00 91 E 8.14 4.02 0.00 2.10 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 2.33 2.46 0.00 92 G 7.92 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 93 A 7.79 4.28 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 94 R 7.60 4.13 0.00 1.83 1.82 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 95 T 9.52 4.40 4.38 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 1.06 0.00 0.00 96 G 8.81 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 0.00 0.00 0.00 97 E 7.78 4.58 0.00 2.12 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 2.33 2.49 0.00 98 I 8.19 3.77 1.90 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 1.37 0.75 0.93 0.00 0.00 99 G 9.03 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 0.00 100 D 7.49 4.28 0.00 2.51 2.68 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 0.00 101 G 8.73 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 0.00 0.00 0.00 0.00 102 K 8.11 4.53 0.00 1.32 0.83 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.39 7.81 103 I 7.84 4.65 1.71 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 1.21 0.44 0.82 0.00 0.00 104 F 9.20 5.10 0.00 2.94 2.86 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 0.00 105 V 8.55 4.90 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 0.45 0.00 0.00 0.81 0.00 0.00 106 L 9.00 5.10 0.00 1.67 1.54 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.15 0.00 1.98 2.01 0.00 3.77 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 2.00 2.02 0.00 108 V 8.24 4.27 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 0.91 0.00 0.00 0.94 0.00 0.00 109 S 8.89 4.46 0.00 3.88 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 0.00 110 D 7.58 4.69 0.00 2.58 2.45 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 0.00 111 V 7.93 4.30 1.47 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 0.88 0.00 0.00 0.14 0.00 0.00 112 I 8.14 4.92 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.88 0.00 0.00 113 R 8.92 4.13 0.00 1.83 1.78 0.00 3.17 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 114 V 8.66 3.54 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 0.89 0.00 0.00 0.91 0.00 0.00 115 R 8.11 4.22 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 116 T 7.22 4.39 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 1.20 0.00 0.00 117 G 8.50 3.91 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 0.00 0.00 0.00 118 E 7.79 4.09 0.00 2.07 1.88 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 2.33 2.25 0.00 119 R 8.12 4.98 0.00 1.68 1.73 0.00 3.23 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 1.59 1.69 0.00 120 G 8.66 4.22 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 0.00 121 E 9.11 4.21 0.00 2.13 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 2.50 2.44 0.00 122 K 8.16 4.11 0.00 1.76 2.02 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.40 7.81 123 A 7.85 4.65 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 0.00 124 E 7.71 4.05 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 2.58 2.42 0.00 125 K 7.79 4.17 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 126 M 8.52 4.33 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 127 T 8.39 4.59 4.24 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 1.26 0.00 0.00 128 G 7.94 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 0.00 129 D 8.37 4.50 0.00 2.66 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 0.00 130 M 8.47 4.24 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.