NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.7276 8.4449 120.1996 56.4312 31.0930 174.6428 5 S 4.9042 8.8272 120.1244 53.9804 66.3300 171.3732 6 P 4.9000 0.0000 0.0000 62.8252 33.0181 174.7119 7 L 5.3549 8.6401 121.6832 54.6038 44.4133 175.0936 8 H 5.0006 8.9029 116.9407 55.0247 33.4815 173.0511 9 G 4.2298 7.7458 109.9761 46.1380 0.0000 171.7759 10 T 5.2650 8.2480 109.2656 60.1079 72.7891 172.8069 11 Q 5.3753 9.0159 120.5961 54.0915 31.1231 175.0420 12 N 4.5936 9.0598 121.0537 54.0017 39.6983 174.5391 13 T 4.6460 8.2546 112.6294 61.4626 69.6396 175.1300 14 I 3.7607 8.5645 123.8252 64.4574 37.1405 176.0044 15 N 5.0446 7.8246 114.2824 51.6563 41.2738 174.5126 16 K 4.5954 8.4147 115.2343 56.3545 32.9637 177.4886 17 R 4.2608 7.9231 114.8623 57.1906 30.0366 175.5962 18 T 4.6951 7.3279 113.8450 61.7959 72.6613 172.7439 19 Q 4.3038 8.3939 121.8503 54.2201 28.1442 174.5574 20 P 4.5594 0.0000 0.0000 63.2678 32.5599 176.0688 21 T 4.6497 8.4748 111.7095 61.9590 70.7821 172.7960 22 F 5.5150 8.3152 116.1564 56.1561 42.0056 173.1952 23 G 4.7023 9.4222 105.7282 45.1893 0.0000 171.7234 24 F 5.5751 9.1564 116.1680 55.7441 42.2069 172.9945 25 T 5.0802 9.0022 116.2200 61.8725 71.4429 173.3428 26 V 4.2746 8.7731 126.3439 61.3682 33.3662 174.3755 27 N 4.8227 8.2387 128.1996 50.9974 37.8192 173.0456 28 W 4.4292 7.5484 119.1760 56.9421 29.6917 176.0052 29 K 4.5251 9.2038 122.7434 56.2204 32.1267 176.7136 30 F 4.9845 7.6776 112.4032 56.3473 38.8129 174.2306 31 S 4.5126 7.1625 114.4001 57.7129 65.5342 173.3654 32 E 4.3485 8.4948 117.5944 56.7437 28.7892 176.9281 33 S 4.8450 7.6122 116.1530 58.2442 64.9705 173.2193 34 T 5.0593 8.7759 117.0880 62.2805 72.7062 173.3335 35 T 5.1911 8.4713 120.4153 61.9697 72.5565 173.3388 36 V 4.9339 8.5429 118.4770 59.6196 34.8912 174.7613 37 F 5.2321 9.1513 122.2542 56.0173 42.7112 174.1259 38 T 4.7143 8.6596 116.0086 60.8364 71.3987 173.5491 39 G 4.0365 7.1510 111.3985 46.6356 0.0000 171.5512 40 Q 4.8291 8.0928 119.9274 54.7159 33.0211 174.1752 41 C 5.1438 8.0856 122.7773 55.8582 45.0752 172.7487 42 F 5.0921 9.3999 123.8781 55.7113 42.8802 174.4245 43 I 4.6116 8.5239 123.0184 60.1316 37.7039 175.3574 44 D 4.6501 9.1026 128.1645 53.4996 41.8882 177.2357 45 R 3.9978 8.4791 117.4541 58.7478 29.3752 177.1322 46 N 4.5726 8.1699 113.5207 52.6918 37.7031 175.7946 47 G 3.9995 8.0934 108.0429 45.1590 0.0000 174.0084 48 K 4.4110 8.4020 120.0171 55.8600 33.4739 176.2777 49 E 4.8301 8.8091 123.2128 56.4494 31.1705 175.9043 50 V 4.8967 9.1683 123.1433 61.3157 35.6312 173.9311 51 L 5.1247 8.9671 127.7505 53.4128 43.4709 175.5019 52 K 5.0302 9.0069 125.0489 55.2607 33.8054 176.1642 53 T 5.3165 8.9886 114.5979 60.3222 72.9188 172.6103 54 M 5.3616 8.9439 120.8738 53.4185 36.5883 174.5184 55 W 5.9614 8.2378 116.5082 53.9390 32.4815 173.6728 56 L 5.1782 8.4765 120.2505 52.9667 44.6463 174.9954 57 L 4.9939 9.2677 126.5157 53.4964 44.1229 174.9025 58 R 4.9208 9.3307 128.7387 55.3360 31.2532 175.7190 59 S 4.8616 8.7873 123.3627 57.6434 64.3481 174.0723 60 S 4.4134 8.4680 117.2856 58.1969 62.8933 173.7299 61 V 4.5155 8.2179 118.5454 59.7893 34.7714 175.3856 62 N 4.6781 8.5680 117.8918 53.7690 39.5348 175.0001 63 D 4.7895 7.5671 117.7564 51.9578 44.4825 175.9019 64 I 3.7792 8.5028 126.0502 63.6651 38.2864 177.7966 65 G 3.7953 8.2621 108.4566 47.8682 0.0000 173.8789 66 D 4.5269 8.0792 119.0831 54.1145 41.4189 177.6101 67 D 4.3188 7.9603 121.1220 56.9358 41.2996 178.4906 68 W 4.3449 8.2839 115.1067 58.7045 28.0040 176.5549 69 K 3.9157 6.6114 115.5912 56.2385 31.9895 176.7483 70 A 4.2159 7.7330 122.2622 53.1926 19.1147 177.1733 71 T 5.0384 7.6267 112.5317 61.7064 70.9715 173.9091 72 R 4.8661 8.9292 125.7176 54.6878 33.0200 175.7180 73 V 4.5568 7.2567 119.1628 58.9941 35.0088 174.5424 74 G 3.1949 5.9673 107.0465 46.0593 0.0000 171.5765 75 I 4.9544 8.1196 112.8967 59.4664 40.7144 175.0328 76 M 4.8201 9.1636 122.2549 54.4856 35.6997 173.2495 77 I 5.0066 8.3748 126.8525 59.6901 39.4770 174.8892 78 F 5.4367 9.2886 125.9013 55.9575 41.9111 174.8023 79 T 5.3819 9.0683 112.3370 59.5978 72.1354 173.5893 80 R 3.8971 8.6740 121.7983 56.1695 30.2834 176.9165 81 L 3.9076 7.9312 124.7315 56.9920 42.5385 176.6012 *96 C 4.8653 7.7816 114.2984 57.2706 40.0568 173.9734 97 S 4.3756 7.9485 114.0018 58.1642 62.7950 174.6906 98 L 3.9901 8.3172 126.9102 57.4167 41.4447 177.9949 99 T 4.0122 7.1777 113.7537 63.7798 69.2899 173.4364 100 G 3.9119 7.7350 112.2053 44.1128 0.0000 171.9608 101 K 4.9445 8.0055 118.7513 54.4293 35.1432 175.6284 102 W 5.3499 9.1343 122.9898 55.2707 33.3937 174.2166 103 T 5.2669 9.6635 117.6018 60.4905 71.1400 171.5080 104 N 5.3773 8.8893 121.8689 51.7929 42.6503 174.9692 105 D 4.4581 8.8275 121.1951 57.1845 41.1101 178.2488 106 L 3.9940 9.2833 119.7774 56.4982 41.6341 178.2782 107 G 4.0640 8.0126 105.4246 44.7640 0.0000 173.8882 108 S 4.7026 7.8552 116.1403 58.7325 64.3670 172.8026 109 N 5.5748 8.9329 119.3103 52.2040 41.1203 172.8844 110 M 5.0295 9.0762 116.2109 54.3602 35.3489 173.5250 111 T 5.0053 8.8109 116.7212 61.8624 71.9229 173.0398 112 I 4.5619 8.8737 127.3237 59.6075 40.0305 176.3194 113 G 3.8917 8.6132 114.7473 45.3022 0.0000 173.1481 114 A 4.2291 8.5107 122.0474 51.5554 19.0358 177.4111 115 V 4.3878 8.1522 121.3232 61.4147 32.4825 175.8810 116 N 4.8269 8.6210 126.0495 51.5076 39.1783 175.7895 117 S 4.0996 8.5315 111.7136 61.1375 63.0718 175.0186 118 R 4.2332 8.1885 118.5959 55.8602 30.1284 176.9605 119 G 3.9633 8.5674 107.1347 45.9014 0.0000 173.0305 120 E 4.9108 8.1067 118.8718 55.3991 31.3647 175.3829 121 F 5.5474 8.3005 117.0054 55.7086 42.0092 173.1318 122 T 4.8889 8.2333 109.2543 60.5346 72.7272 172.6409 123 G 4.0418 8.1177 106.3261 46.4849 0.0000 172.2398 124 T 5.2126 8.4077 109.2735 60.0569 72.8032 172.3935 125 Y 4.9257 9.3079 124.4650 55.9149 42.1950 173.9101 126 I 4.9863 8.8302 127.5470 59.9052 39.8029 174.2848 127 T 5.0146 9.0074 122.0504 60.8623 68.1023 174.4630 128 A 4.3502 8.8222 131.0924 53.2917 19.3112 177.5405 129 V 4.5761 7.3636 108.0859 59.9254 35.5342 175.6382 130 T 4.0735 8.1452 115.2064 62.5665 67.2620 173.4688 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 4 E 8.44 4.73 0.00 1.93 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 2.25 2.40 0.00 5 S 8.83 4.90 0.00 3.70 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 6 P 0.00 4.90 0.00 2.13 2.17 0.00 3.81 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 2.07 1.98 0.00 7 L 8.64 5.35 0.00 1.80 1.65 0.61 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.90 5.00 0.00 3.09 3.11 0.00 5.85 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 9 G 7.75 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 0.00 0.00 0.00 0.00 10 T 8.25 5.26 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 1.13 0.00 0.00 11 Q 9.02 5.38 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 12 N 9.06 4.59 0.00 2.80 2.80 0.00 0.00 6.95 7.33 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 13 T 8.25 4.65 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 1.24 0.00 0.00 14 I 8.56 3.76 1.99 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 0.82 0.92 0.00 0.00 15 N 7.82 5.04 0.00 2.69 2.80 0.00 0.00 6.68 7.61 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 16 K 8.41 4.60 0.00 1.70 1.78 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 17 R 7.92 4.26 0.00 1.93 2.05 0.00 2.99 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 18 T 7.33 4.70 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 1.22 0.00 0.00 19 Q 8.39 4.30 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 20 P 0.00 4.56 0.00 2.20 2.35 0.00 3.69 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 2.12 2.01 0.00 21 T 8.47 4.65 4.15 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 1.17 0.00 0.00 22 F 8.32 5.52 0.00 3.54 3.24 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 23 G 9.42 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.16 5.58 0.00 3.26 3.31 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 0.00 25 T 9.00 5.08 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 1.24 0.00 0.00 26 V 8.77 4.27 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 -0.56 0.00 0.00 0.76 0.00 0.00 27 N 8.24 4.82 0.00 2.69 2.65 0.00 0.00 7.27 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 28 W 7.55 4.43 0.00 3.17 2.47 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 0.00 0.00 0.00 0.00 29 K 9.20 4.53 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.56 7.81 30 F 7.68 4.98 0.00 3.11 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 31 S 7.16 4.51 0.00 3.78 3.54 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 32 E 8.49 4.35 0.00 1.95 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 2.27 2.31 0.00 33 S 7.61 4.85 0.00 3.58 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 34 T 8.78 5.06 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 1.25 0.00 0.00 35 T 8.47 5.19 4.48 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 0.79 0.00 0.00 36 V 8.54 4.93 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 0.70 0.00 0.00 0.90 0.00 0.00 37 F 9.15 5.23 0.00 1.51 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.71 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 1.13 0.00 0.00 39 G 7.15 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 40 Q 8.09 4.83 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 1.49 2.39 0.00 41 C 8.09 5.14 0.00 2.93 2.90 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 42 F 9.40 5.09 0.00 3.02 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 43 I 8.52 4.61 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.98 0.00 0.00 44 D 9.10 4.65 0.00 2.84 2.83 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 45 R 8.48 4.00 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 46 N 8.17 4.57 0.00 2.85 2.98 0.00 0.00 6.23 7.00 0.00 0.00 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 G 8.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.41 0.00 1.99 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.46 7.81 49 E 8.81 4.83 0.00 2.19 2.23 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 2.53 2.40 0.00 50 V 9.17 4.90 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 1.15 0.00 0.00 1.07 0.00 0.00 51 L 8.97 5.12 0.00 1.81 1.79 -0.66 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.01 5.03 0.00 1.98 1.85 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.72 7.81 53 T 8.99 5.32 4.65 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 1.71 0.00 0.00 54 M 8.94 5.36 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 55 W 8.24 5.96 0.00 2.56 1.96 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 L 8.48 5.18 0.00 1.59 1.60 0.89 0.33 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 57 L 9.27 4.99 0.00 1.67 1.80 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.33 4.92 0.00 1.95 1.94 0.00 3.36 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 59 S 8.79 4.86 0.00 3.71 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 60 S 8.47 4.41 0.00 3.86 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 61 V 8.22 4.52 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 0.70 0.00 0.00 0.94 0.00 0.00 62 N 8.57 4.68 0.00 2.69 2.85 0.00 0.00 6.63 8.06 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 63 D 7.57 4.79 0.00 2.69 2.63 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 64 I 8.50 3.78 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 1.37 1.20 0.93 0.00 0.00 65 G 8.26 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 66 D 8.08 4.53 0.00 2.77 2.49 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 67 D 7.96 4.32 0.00 2.87 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 68 W 8.28 4.34 0.00 3.60 3.25 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 69 K 6.61 3.92 0.00 1.26 0.74 0.00 1.18 0.00 0.00 0.86 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.77 7.81 70 A 7.73 4.22 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 71 T 7.63 5.04 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 1.22 0.00 0.00 72 R 8.93 4.87 0.00 2.01 2.07 0.00 3.13 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 73 V 7.26 4.56 1.90 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 0.89 0.00 0.00 0.66 0.00 0.00 74 G 5.97 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 0.00 0.00 0.00 75 I 8.12 4.95 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.82 0.00 0.00 76 M 9.16 4.82 0.00 2.45 2.52 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.27 0.00 77 I 8.37 5.01 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.00 0.00 0.00 78 F 9.29 5.44 0.00 2.89 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 79 T 9.07 5.38 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 1.35 0.00 0.00 80 R 8.67 3.90 0.00 1.52 1.58 0.00 2.92 0.00 0.00 2.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 81 L 7.93 3.91 0.00 1.51 1.54 0.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *96 C 7.78 4.87 0.00 3.06 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 97 S 7.95 4.38 0.00 3.85 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 98 L 8.32 3.99 0.00 1.20 1.02 0.20 0.24 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 99 T 7.18 4.01 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 1.15 0.00 0.00 100 G 7.73 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 0.00 101 K 8.01 4.94 0.00 1.50 1.56 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.29 7.81 102 W 9.13 5.35 0.00 2.95 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 0.00 103 T 9.66 5.27 4.29 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 1.35 0.00 0.00 104 N 8.89 5.38 0.00 2.48 2.57 0.00 0.00 7.63 8.50 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 0.00 105 D 8.83 4.46 0.00 2.73 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 0.00 106 L 9.28 3.99 0.00 1.68 1.80 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.01 4.06 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 0.00 108 S 7.86 4.70 0.00 3.95 3.98 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 0.00 109 N 8.93 5.57 0.00 2.87 2.85 0.00 0.00 6.61 7.84 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 0.00 110 M 9.08 5.03 0.00 1.44 1.96 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 111 T 8.81 5.01 4.17 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 1.18 0.00 0.00 112 I 8.87 4.56 1.91 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.54 0.37 0.00 0.00 113 G 8.61 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 0.00 0.00 0.00 114 A 8.51 4.23 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 0.00 115 V 8.15 4.39 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 1.06 0.00 0.00 0.92 0.00 0.00 116 N 8.62 4.83 0.00 3.02 2.99 0.00 0.00 6.29 6.95 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 0.00 117 S 8.53 4.10 0.00 4.01 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 0.00 118 R 8.19 4.23 0.00 1.96 2.00 0.00 3.21 0.00 0.00 3.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 119 G 8.57 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 0.00 120 E 8.11 4.91 0.00 1.92 1.79 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 2.31 2.28 0.00 121 F 8.30 5.55 0.00 3.02 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 0.00 122 T 8.23 4.89 4.08 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 0.00 0.00 0.00 1.20 0.00 0.00 123 G 8.12 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 0.00 124 T 8.41 5.21 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 1.19 0.00 0.00 125 Y 9.31 4.93 0.00 2.89 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 0.00 126 I 8.83 4.99 1.86 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 1.19 0.58 0.95 0.00 0.00 127 T 9.01 5.01 4.82 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 1.35 0.00 0.00 128 A 8.82 4.35 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 0.00 129 V 7.36 4.58 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 0.73 0.00 0.00 0.95 0.00 0.00 130 T 8.15 4.07 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.