NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 S 4.4611 8.1933 115.2990 57.9220 63.4327 173.9586 28 R 3.7944 8.7934 127.9064 57.6912 30.0379 177.1626 29 S 4.1354 8.3849 113.8102 61.9479 63.2271 175.3627 30 Y 4.0892 8.1104 122.8995 60.4067 38.4439 178.3154 31 R 3.7322 8.2239 118.7839 59.0196 30.2301 179.1253 32 R 3.8502 8.0520 117.7149 59.4091 30.0971 179.0106 33 A 3.9666 7.8022 120.1497 54.8510 18.0693 179.6208 34 K 3.7057 7.2953 117.2561 59.6273 32.2888 178.6681 35 E 4.0429 8.2643 118.1510 59.0663 29.7186 178.9546 36 A 4.1562 7.8392 120.6376 54.9693 18.5356 181.5803 37 V 3.6778 7.7134 116.5676 63.2837 31.6507 178.0400 *39 R 4.3171 8.1143 117.6558 55.7449 32.2465 178.0087 40 A 4.0948 8.0827 119.4361 55.2082 18.3440 179.6681 41 L 4.0283 8.0256 117.5978 58.0053 41.6272 179.0231 42 Y 4.0280 8.1650 119.0414 60.8342 38.7068 177.1165 43 Y 4.1853 8.0003 120.3540 61.1215 38.7455 177.9698 44 Q 3.5312 7.8456 120.0445 59.0971 29.2364 177.1405 45 Y 4.0340 8.0476 120.3511 61.1013 38.5592 178.6822 46 R 3.5791 7.8031 118.1821 59.1676 30.2408 177.6340 47 D 4.2442 7.7629 118.1396 56.9749 41.1327 178.4790 48 R 3.7955 8.0396 119.0751 59.1348 29.9471 178.9109 49 K 4.0299 7.4281 115.5147 57.7470 32.0448 178.1281 50 L 4.5488 7.0580 117.9819 54.5818 42.2044 176.8355 51 R 4.5632 7.5063 115.3950 55.5930 33.1774 175.6626 52 K 4.2004 7.9195 117.7836 56.5385 33.1804 176.5880 53 R 4.5331 8.2917 120.5155 54.3184 33.8810 174.1978 54 E 4.7651 7.9826 118.4743 54.9755 32.3498 175.5830 55 F 4.5567 7.9899 116.6506 55.9682 40.6071 177.2015 56 R 3.8785 8.2975 122.8283 60.1486 29.6129 177.3498 57 R 3.8766 7.7132 117.0653 58.7292 30.1329 178.3200 58 L 3.7584 7.6532 120.3366 57.8820 41.9469 178.8811 59 W 4.7700 7.5365 118.0616 60.2906 29.0601 178.2598 60 I 3.6559 7.9926 119.2367 64.5399 36.5751 178.3960 61 A 3.9626 7.9771 121.3475 55.2181 18.0825 179.9775 62 R 3.9664 8.2760 116.6518 59.2524 30.0114 179.2908 63 I 3.6395 8.2606 120.1744 64.3286 37.0091 177.5838 64 N 4.3517 8.3494 116.7599 57.1766 39.2086 176.4351 65 A 4.1397 8.0453 121.2733 54.9959 18.2368 179.2724 66 A 4.2026 7.7231 118.1006 54.2457 18.9741 178.9735 67 V 4.0200 7.5672 115.3074 63.7760 31.7108 178.0277 68 R 4.6535 7.9763 117.9837 59.4394 29.8030 178.2585 69 A 3.8055 8.1993 120.0723 54.7930 18.3371 177.4404 70 Y 4.5370 8.1805 111.7733 57.7585 38.3532 176.2967 71 G 3.9159 8.9379 106.8341 46.1110 0.0000 173.6618 72 L 4.8593 7.7203 119.6707 52.5064 44.6937 174.5809 73 N 5.4278 8.7829 116.4826 50.4652 41.6674 174.4659 74 Y 4.2341 8.7844 120.7754 61.2966 38.6277 178.4559 75 S 4.1190 8.3139 115.3217 61.8050 63.0544 176.7101 76 T 3.8638 7.8787 111.8590 64.7428 68.6701 175.9240 77 F 4.1267 8.4964 124.2488 61.0376 39.4537 177.1803 78 I 3.4308 7.8342 119.4056 64.3426 36.6202 178.2044 79 N 4.3723 7.9404 116.2408 56.1147 38.6020 177.5513 80 G 3.5775 7.9569 107.0175 47.8225 0.0000 175.5362 81 L 3.8695 7.3120 121.9402 57.5406 42.0896 178.9465 82 K 4.1355 7.8939 117.9469 58.4485 31.5939 179.4769 83 K 4.1670 7.9349 115.6615 56.8782 31.8371 177.0871 84 A 4.4685 8.8328 122.6520 51.4105 20.2754 178.5657 85 G 3.9893 8.5178 103.6951 44.9146 0.0000 173.3449 86 I 4.4868 7.1836 111.5713 58.6129 40.3478 174.6309 87 E 4.2659 8.5957 123.2969 54.9459 29.6629 175.3410 88 L 4.4055 8.1929 128.5079 53.8220 43.0932 175.7351 89 D 4.5908 8.4950 125.2231 54.0891 41.5468 177.7040 90 R 4.0682 8.8687 123.5573 59.2130 30.1068 179.0136 91 K 2.8165 7.9422 119.0615 58.9300 31.9040 178.5368 92 I 3.5218 7.0252 118.7077 64.4003 37.1613 177.8421 93 L 4.2070 7.8767 117.3739 57.9210 41.6091 178.9817 94 A 4.0555 7.9460 120.3402 55.2030 18.3216 180.7379 95 D 4.3850 7.9604 115.5910 54.7429 40.8153 178.3819 *97 A 3.7763 7.9909 123.1263 51.4481 20.4532 178.4729 98 V 4.0539 7.0001 113.8831 64.7639 32.4823 177.5930 99 R 4.0974 7.7650 116.8754 58.7852 30.5004 177.2533 100 D 4.8019 7.5558 116.3245 51.2187 42.4931 173.2376 101 P 4.4985 0.0000 0.0000 65.5372 31.2278 178.5006 102 Q 3.9834 8.2017 116.6005 58.8399 29.0401 177.8429 103 A 4.1485 8.1323 120.9968 55.4444 18.5306 179.1493 104 F 4.0352 8.2572 119.0097 61.7582 39.2435 177.0037 105 E 3.5721 8.3385 118.6259 59.0386 29.3560 178.8519 106 Q 3.8855 7.9857 118.1532 58.9593 28.8637 178.6675 107 V 3.4901 7.6494 118.6769 66.2489 31.4394 178.0696 108 V 3.6909 7.2752 117.6258 65.9761 31.1403 177.8010 109 N 4.3581 8.1164 116.4768 55.9958 38.3072 177.4017 110 K 3.8983 8.4365 121.4280 59.0271 32.1784 179.1550 111 V 3.5066 7.4590 118.4035 65.5599 31.5184 177.8274 112 K 3.8581 7.9839 118.2808 60.0494 31.9342 178.4121 113 E 3.8656 8.4254 118.1560 59.4645 29.1581 179.0238 114 A 3.9512 7.6785 120.5054 55.7996 18.3176 179.5145 115 L 4.0861 7.9824 116.9838 57.8373 41.4480 179.7012 116 Q 4.1169 7.9330 117.4710 58.3155 28.6645 177.6814 117 V 4.1929 7.4981 111.7306 61.3754 32.0018 176.2172 118 Q 4.1492 7.5649 123.5438 56.3228 28.5309 176.1269 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 27 S 8.19 4.46 0.00 3.88 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 28 R 8.79 3.79 0.00 1.96 1.99 0.00 3.38 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 29 S 8.38 4.14 0.00 4.07 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 0.00 30 Y 8.11 4.09 0.00 3.09 3.23 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 31 R 8.22 3.73 0.00 2.10 1.94 0.00 3.37 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 32 R 8.05 3.85 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 33 A 7.80 3.97 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 34 K 7.30 3.71 0.00 1.25 1.68 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 35 E 8.26 4.04 0.00 2.08 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 2.30 2.45 0.00 36 A 7.84 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.68 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 1.03 0.00 0.00 1.01 0.00 0.00 *39 R 8.11 4.32 0.00 2.08 2.04 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 40 A 8.08 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.03 0.00 1.80 1.79 0.94 0.82 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 42 Y 8.17 4.03 0.00 3.13 3.21 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 43 Y 8.00 4.19 0.00 3.17 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 3.53 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 45 Y 8.05 4.03 0.00 2.99 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 46 R 7.80 3.58 0.00 1.32 1.83 0.00 3.36 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 47 D 7.76 4.24 0.00 2.25 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 0.00 0.00 0.00 0.00 48 R 8.04 3.80 0.00 1.80 1.82 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 49 K 7.43 4.03 0.00 1.36 1.61 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.85 0.71 7.81 50 L 7.06 4.55 0.00 1.59 1.61 0.91 1.00 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 51 R 7.51 4.56 0.00 1.68 1.87 0.00 3.20 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 52 K 7.92 4.20 0.00 1.86 1.78 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.34 7.81 53 R 8.29 4.53 0.00 1.52 1.30 0.00 3.05 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 54 E 7.98 4.77 0.00 1.75 1.75 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 2.14 2.20 0.00 55 F 7.99 4.56 0.00 2.01 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 0.00 0.00 0.00 0.00 56 R 8.30 3.88 0.00 1.89 1.90 0.00 3.19 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 57 R 7.71 3.88 0.00 1.78 1.87 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 58 L 7.65 3.76 0.00 1.31 0.63 0.57 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.54 4.77 0.00 3.38 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 60 I 7.99 3.66 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 -0.00 0.00 0.00 61 A 7.98 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.28 3.97 0.00 1.98 2.02 0.00 3.34 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.14 0.00 63 I 8.26 3.64 2.36 0.00 0.00 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 1.48 1.65 1.18 0.00 0.00 64 N 8.35 4.35 0.00 2.88 3.02 0.00 0.00 7.33 8.07 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 65 A 8.05 4.14 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 66 A 7.72 4.20 1.20 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 0.00 0.00 67 V 7.57 4.02 2.15 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 1.08 0.00 0.00 0.15 0.00 0.00 68 R 7.98 4.65 0.00 2.14 1.99 0.00 3.42 0.00 0.00 3.58 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 69 A 8.20 3.81 1.09 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 0.00 0.00 70 Y 8.18 4.54 0.00 2.85 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 71 G 8.94 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 0.00 0.00 0.00 72 L 7.72 4.86 0.00 1.97 1.68 1.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.78 5.43 0.00 2.97 2.94 0.00 0.00 7.03 7.38 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 74 Y 8.78 4.23 0.00 3.16 3.10 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 75 S 8.31 4.12 0.00 3.99 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 0.00 76 T 7.88 3.86 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 1.25 0.00 0.00 77 F 8.50 4.13 0.00 3.13 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 78 I 7.83 3.43 1.46 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 1.11 -0.03 0.74 0.00 0.00 79 N 7.94 4.37 0.00 2.70 2.84 0.00 0.00 7.06 7.18 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 80 G 7.96 3.58 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 0.00 0.00 0.00 81 L 7.31 3.87 0.00 1.29 1.53 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.89 4.14 0.00 1.97 1.79 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 83 K 7.93 4.17 0.00 1.67 1.79 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 84 A 8.83 4.47 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 85 G 8.52 3.99 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 0.00 0.00 0.00 86 I 7.18 4.49 1.86 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 1.28 0.75 0.90 0.00 0.00 87 E 8.60 4.27 0.00 1.93 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 2.27 2.37 0.00 88 L 8.19 4.41 0.00 1.62 1.53 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.49 4.59 0.00 2.79 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 90 R 8.87 4.07 0.00 2.12 2.25 0.00 3.33 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 91 K 7.94 2.82 0.00 1.47 1.57 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.68 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.99 0.21 7.81 92 I 7.03 3.52 2.02 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 1.47 0.60 0.90 0.00 0.00 93 L 7.88 4.21 0.00 1.85 1.96 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.95 4.06 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 95 D 7.96 4.38 0.00 2.77 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 *97 A 7.99 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.00 4.05 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 0.78 0.00 0.00 0.87 0.00 0.00 99 R 7.77 4.10 0.00 1.91 1.95 0.00 3.18 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 100 D 7.56 4.80 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.39 2.38 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 102 Q 8.20 3.98 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 103 A 8.13 4.15 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.26 4.04 0.00 3.19 3.29 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 0.00 105 E 8.34 3.57 0.00 2.34 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 0.00 2.37 2.66 0.00 106 Q 7.99 3.89 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 107 V 7.65 3.49 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 1.07 0.00 0.00 0.98 0.00 0.00 108 V 7.28 3.69 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 0.46 0.00 0.00 -0.22 0.00 0.00 109 N 8.12 4.36 0.00 2.84 2.82 0.00 0.00 6.63 7.60 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 0.00 110 K 8.44 3.90 0.00 1.89 1.85 0.00 1.48 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 111 V 7.46 3.51 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 0.88 0.00 0.00 0.55 0.00 0.00 112 K 7.98 3.86 0.00 2.04 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.57 7.81 113 E 8.43 3.87 0.00 2.17 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 2.32 2.46 0.00 114 A 7.68 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 0.00 115 L 7.98 4.09 0.00 1.87 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.93 4.12 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.43 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 117 V 7.50 4.19 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 0.78 0.00 0.00 0.93 0.00 0.00 118 Q 7.56 4.15 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.