NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3749 8.3001 120.3257 53.7311 34.0803 175.4399 2 A 3.5932 8.1697 115.6688 52.5228 21.5026 175.2242 3 A 3.4508 8.8155 119.6173 53.5139 16.1454 173.9386 4 E 4.3317 8.6690 125.4681 56.0139 31.4952 173.5634 5 P 4.0662 0.0000 0.0000 60.2133 32.6994 175.7753 6 L 4.7089 8.1136 123.4614 54.3179 43.5398 173.7466 7 T 4.7073 7.6313 116.6608 61.0151 69.5960 174.5975 8 E 3.9104 8.7939 121.2791 59.4832 29.3859 178.9841 9 L 4.2853 7.8043 117.3004 56.7734 42.4249 178.8980 10 E 4.0560 8.0243 118.4077 58.8352 29.2900 178.6456 11 E 3.9736 7.9881 119.0192 59.6033 28.8417 179.6114 12 S 4.2076 7.6022 111.5453 60.9153 62.9921 176.3371 13 I 3.9594 7.5657 116.7689 63.5270 37.4455 177.7239 14 E 3.8935 8.1720 121.1270 59.5510 29.6323 178.4501 15 T 3.9177 8.2053 113.3486 65.6619 67.2481 176.2086 16 V 3.8027 7.3783 110.8260 64.1635 31.5141 178.6887 17 V 3.6396 7.5834 118.2774 66.3245 31.2542 177.9509 18 T 3.8221 8.5375 113.1461 65.3377 66.8099 176.3047 19 T 3.9133 7.3362 115.7919 66.4957 68.8579 175.8360 20 F 4.0917 8.1287 122.6377 61.7000 39.0024 177.0419 21 F 3.8335 9.3631 120.5783 60.8225 38.8313 175.9504 22 T 4.7552 7.5691 107.3485 61.7138 69.1429 175.3431 23 F 4.3773 7.8878 119.3148 58.1394 41.5980 175.7365 24 A 4.9264 7.9801 121.8736 52.5732 18.8430 177.7032 25 R 3.9851 6.7992 112.0868 56.5957 29.7053 178.2292 26 Q 3.9820 7.8290 119.7061 59.1356 28.9774 175.9573 27 E 4.1477 8.3632 118.3494 56.5826 30.4544 177.1301 28 G 3.7562 7.6384 110.1692 44.6438 0.0000 171.6574 29 R 3.4730 8.4228 120.6445 56.0690 28.6173 176.8753 30 K 4.0437 8.1923 123.5765 58.5468 32.9847 178.0118 31 D 4.8909 8.0031 118.2046 55.7607 41.2118 176.0250 32 S 4.9906 7.3647 112.2752 56.0776 65.9745 174.1246 33 L 4.2639 8.7110 123.3655 55.0190 42.6266 176.3521 34 S 5.1715 8.9440 118.3422 56.0085 67.0520 174.3823 35 V 4.4954 7.8931 119.9711 60.6948 31.6252 176.7948 36 N 5.0622 7.9655 114.3491 53.0733 40.2382 172.7157 37 E 4.7965 8.0175 119.1846 57.2329 37.2711 178.0399 38 F 3.8546 8.8796 120.9813 61.2623 39.4270 177.1098 39 K 4.0863 8.2753 118.7642 59.6875 32.1034 178.4851 40 E 4.0485 8.2951 118.4396 59.0537 29.3101 179.0074 41 L 3.9479 7.8586 120.2473 58.2537 42.0994 179.4405 42 V 3.6754 8.1020 112.4685 64.8876 31.3203 178.8298 43 T 3.9569 8.2735 114.5002 65.6003 68.2502 175.5951 44 Q 4.3963 7.7123 119.3696 58.1665 30.1854 176.9431 45 Q 4.1918 8.1871 118.8629 57.0889 30.2819 175.5620 46 L 4.8840 7.7127 119.9028 53.1922 42.1753 175.8828 47 P 4.3936 0.0000 0.0000 64.3297 32.7780 176.6637 48 H 4.6939 8.1635 117.1824 57.7574 30.9719 175.5246 49 L 3.8678 8.0368 119.3458 57.7611 41.9750 177.2620 50 L 4.4100 7.1309 123.5326 53.2258 40.9522 177.1935 51 K 4.3792 8.1502 128.8180 55.8711 33.5461 178.0369 52 D 4.7171 7.3567 115.0016 54.4243 41.7797 175.9346 53 V 3.9549 7.7111 112.4057 63.0822 32.5299 178.0534 54 G 3.8878 7.9624 107.2936 46.1377 0.0000 174.1104 55 S 4.7151 7.3956 114.2294 57.4406 63.2635 175.8301 56 L 3.9146 8.2801 121.6549 58.1372 41.6953 177.2569 57 D 4.3594 8.1937 118.1282 57.6435 40.6028 178.8144 58 E 3.8614 7.8187 118.2599 59.1887 29.7143 178.9346 59 K 3.8375 7.9006 117.9700 59.5918 32.1320 178.4574 60 M 3.6069 8.2236 118.6463 58.6561 31.8422 178.0468 61 K 3.8624 7.9448 118.2560 59.7960 32.4189 178.5290 62 S 4.2540 8.1117 114.4875 61.4408 62.7483 176.5447 63 L 4.1063 8.0577 121.2364 57.8736 41.4322 178.8418 64 D 4.6746 8.6766 117.7891 56.6530 40.8817 178.5416 65 V 3.5875 7.7982 111.9539 64.6038 31.6282 176.7520 66 N 4.2880 8.2161 115.1198 54.0245 37.1619 175.3371 67 Q 3.7250 8.3632 117.9522 56.6320 27.9750 173.8896 68 D 4.3735 8.4309 117.2474 54.3064 39.3316 177.4698 69 S 3.8259 8.8459 114.4331 58.9148 60.9660 170.2370 70 E 4.3946 8.4623 121.1829 55.2015 29.9406 176.7262 71 L 4.7136 8.7565 126.3539 54.1186 42.3127 177.2402 72 K 4.5297 9.6903 127.1232 55.2698 34.1726 176.4359 73 F 4.8945 8.5886 125.6446 54.9670 36.9090 174.6962 74 N 4.8761 8.5140 122.3344 54.1430 36.9980 175.1712 75 E 4.3780 8.2019 119.6814 58.9915 30.4849 177.3068 76 Y 4.2948 8.3395 119.5169 60.9537 38.8980 178.1631 77 W 3.9125 8.5635 128.3513 60.7155 30.5384 177.6421 78 R 3.3080 7.8449 117.6933 59.1126 29.4140 178.0665 79 L 3.7365 7.7268 120.1755 58.5521 41.9225 179.2661 80 I 3.5432 7.0724 119.2607 64.0356 36.8306 178.7820 81 G 3.1390 7.2240 106.7278 47.5266 0.0000 175.7809 82 E 3.8474 7.6125 120.9920 58.8040 29.4932 179.0004 83 L 3.8668 7.9620 119.9188 58.8659 40.0642 179.0020 84 A 3.9285 7.8593 121.1916 54.7297 18.5586 179.4860 85 K 4.0296 8.3984 117.5711 59.9981 32.5007 178.8412 86 E 4.1024 8.2812 120.7207 58.6655 29.5134 178.7977 87 I 3.7286 7.2004 116.8394 64.1939 37.9648 176.8102 88 R 4.0750 7.8554 118.1089 57.9353 30.1444 176.0335 89 K 4.4281 7.8112 120.4225 53.3120 31.6658 175.7070 90 K 3.9651 8.0536 123.9878 58.5000 32.4134 177.4620 91 K 4.5075 8.4536 113.1073 56.9521 36.2800 175.1415 92 D 4.7858 7.8516 118.8378 54.5335 40.9243 175.3315 93 L 4.4397 7.2908 121.1015 54.3366 43.3940 175.8131 *95 I 3.9143 7.9276 110.4585 61.5876 38.5001 174.8464 96 R 4.2733 7.6776 117.8750 55.7235 32.7535 173.9799 97 K 4.1024 8.2951 121.4027 55.9042 35.0891 174.1941 98 K 4.1574 8.8835 126.5166 56.5184 32.1646 175.5793 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 M 8.30 4.37 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 2 A 8.17 3.59 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 3 A 8.82 3.45 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.67 4.33 0.00 1.93 1.89 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 2.27 2.32 0.00 5 P 0.00 4.07 0.00 2.11 1.90 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 6 L 8.11 4.71 0.00 1.57 1.43 0.91 0.80 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 7 T 7.63 4.71 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 1.30 0.00 0.00 8 E 8.79 3.91 0.00 2.04 1.93 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 2.38 2.34 0.00 9 L 7.80 4.29 0.00 1.75 1.70 0.93 0.96 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 10 E 8.02 4.06 0.00 2.24 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 0.00 2.38 2.38 0.00 11 E 7.99 3.97 0.00 1.98 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 2.38 2.56 0.00 12 S 7.60 4.21 0.00 4.03 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 0.00 13 I 7.57 3.96 1.90 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 1.41 1.05 0.95 0.00 0.00 14 E 8.17 3.89 0.00 2.21 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 0.00 2.29 2.45 0.00 15 T 8.21 3.92 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 1.27 0.00 0.00 16 V 7.38 3.80 2.12 0.00 0.00 0.00 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 1.07 0.00 0.00 17 V 7.58 3.64 2.25 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 1.17 0.00 0.00 0.97 0.00 0.00 18 T 8.54 3.82 4.47 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 1.38 0.00 0.00 19 T 7.34 3.91 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 0.90 0.00 0.00 20 F 8.13 4.09 0.00 2.81 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 21 F 9.36 3.83 0.00 3.36 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 22 T 7.57 4.76 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 1.36 0.00 0.00 23 F 7.89 4.38 0.00 2.97 2.95 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 24 A 7.98 4.93 0.77 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 25 R 6.80 3.99 0.00 1.58 1.61 0.00 2.94 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 26 Q 7.83 3.98 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 27 E 8.36 4.15 0.00 1.92 1.82 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 2.27 2.21 0.00 28 G 7.64 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 0.00 0.00 0.00 29 R 8.42 3.47 0.00 1.96 1.87 0.00 3.20 0.00 0.00 3.51 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 30 K 8.19 4.04 0.00 1.03 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.15 7.81 31 D 8.00 4.89 0.00 2.82 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 32 S 7.36 4.99 0.00 3.94 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 33 L 8.71 4.26 0.00 1.86 1.87 0.68 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.94 5.17 0.00 4.00 3.74 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 35 V 7.89 4.50 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 0.81 0.00 0.00 0.95 0.00 0.00 36 N 7.97 5.06 0.00 2.61 2.74 0.00 0.00 6.80 8.62 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 37 E 8.02 4.80 0.00 2.34 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 0.00 2.33 2.42 0.00 38 F 8.88 3.85 0.00 3.32 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 39 K 8.28 4.09 0.00 1.94 1.87 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.60 7.81 40 E 8.30 4.05 0.00 2.17 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 2.44 2.41 0.00 41 L 7.86 3.95 0.00 1.87 1.82 0.27 1.20 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 42 V 8.10 3.68 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 1.06 0.00 0.00 1.20 0.00 0.00 43 T 8.27 3.96 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 1.25 0.00 0.00 44 Q 7.71 4.40 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 45 Q 8.19 4.19 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.15 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 46 L 7.71 4.88 0.00 1.75 1.57 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.39 0.00 2.20 2.41 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 48 H 8.16 4.69 0.00 3.09 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.04 3.87 0.00 1.60 1.65 0.87 0.90 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 50 L 7.13 4.41 0.00 2.03 1.64 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.15 4.38 0.00 1.84 1.88 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.59 7.81 52 D 7.36 4.72 0.00 2.64 2.53 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 0.00 53 V 7.71 3.95 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 0.80 0.00 0.00 0.95 0.00 0.00 54 G 7.96 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 55 S 7.40 4.72 0.00 3.90 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 56 L 8.28 3.91 0.00 1.72 1.64 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.19 4.36 0.00 2.76 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 58 E 7.82 3.86 0.00 2.04 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 2.27 2.32 0.00 59 K 7.90 3.84 0.00 1.97 1.71 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 60 M 8.22 3.61 0.00 1.99 1.73 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 2.46 2.56 0.00 61 K 7.94 3.86 0.00 1.82 1.93 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 62 S 8.11 4.25 0.00 3.96 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 63 L 8.06 4.11 0.00 1.71 1.76 0.85 1.05 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 64 D 8.68 4.67 0.00 2.86 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 65 V 7.80 3.59 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 0.96 0.00 0.00 66 N 8.22 4.29 0.00 2.85 3.00 0.00 0.00 6.05 7.88 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 67 Q 8.36 3.73 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 68 D 8.43 4.37 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 69 S 8.85 3.83 0.00 4.03 4.07 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 70 E 8.46 4.39 0.00 2.21 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 2.36 2.33 0.00 71 L 8.76 4.71 0.00 2.12 2.13 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.69 4.53 0.00 2.24 1.85 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.60 7.81 73 F 8.59 4.89 0.00 3.40 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 74 N 8.51 4.88 0.00 2.93 3.35 0.00 0.00 7.50 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 75 E 8.20 4.38 0.00 2.32 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 2.45 2.47 0.00 76 Y 8.34 4.29 0.00 3.32 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 77 W 8.56 3.91 0.00 3.48 3.32 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 78 R 7.84 3.31 0.00 1.85 1.85 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 79 L 7.73 3.74 0.00 1.65 1.18 1.05 0.94 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 80 I 7.07 3.54 1.48 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.13 0.81 0.00 0.00 81 G 7.22 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 0.00 0.00 0.00 82 E 7.61 3.85 0.00 1.99 1.91 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 2.34 2.17 0.00 83 L 7.96 3.87 0.00 1.78 1.87 0.85 0.91 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 84 A 7.86 3.93 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 85 K 8.40 4.03 0.00 1.92 2.02 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.43 7.81 86 E 8.28 4.10 0.00 2.05 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 0.00 2.38 2.32 0.00 87 I 7.20 3.73 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 1.39 0.71 0.97 0.00 0.00 88 R 7.86 4.07 0.00 1.79 2.09 0.00 3.22 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 89 K 7.81 4.43 0.00 1.77 1.63 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.31 7.81 90 K 8.05 3.97 0.00 1.73 1.94 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 91 K 8.45 4.51 0.00 1.64 1.70 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.39 7.81 92 D 7.85 4.79 0.00 2.67 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 93 L 7.29 4.44 0.00 1.72 1.69 0.89 0.72 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 *95 I 7.93 3.91 1.87 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 1.29 0.60 0.98 0.00 0.00 96 R 7.68 4.27 0.00 1.72 1.79 0.00 3.44 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 97 K 8.30 4.10 0.00 1.69 1.62 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.23 7.81 98 K 8.88 4.16 0.00 1.74 1.65 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.