NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0917 8.6498 117.6200 52.8080 37.9667 172.4520 2 F 5.0019 7.9376 112.6404 54.2071 41.4906 172.1267 3 M 4.8834 10.1799 117.7711 53.4439 35.3548 175.6083 4 L 5.2696 8.4477 118.8219 53.0751 44.8993 174.7894 5 N 5.4653 9.3691 123.6286 51.7594 41.1555 173.3567 6 Q 5.3976 8.8502 122.9532 52.2159 32.0577 173.3129 7 P 4.4905 0.0000 0.0000 63.2747 32.0055 175.7419 8 H 4.9512 8.1573 113.7104 56.3172 30.5113 175.0031 9 S 5.3313 7.4688 113.9155 55.5564 67.2037 173.4005 *11 V 4.5600 8.5049 122.1646 63.1811 32.8204 174.0247 12 S 5.6097 8.0885 118.1763 56.4454 66.4491 172.1861 13 E 4.7224 8.2271 119.1375 55.8367 32.8068 174.7183 14 S 4.7951 8.2248 119.0580 56.7933 64.8114 172.3382 15 P 4.4048 0.0000 0.0000 64.3421 31.5403 177.1833 16 G 3.9094 9.0038 110.9413 45.1039 0.0000 173.6462 17 K 4.4337 7.4716 119.0471 55.7032 34.9800 175.3068 18 T 5.0413 8.1901 117.2111 61.9400 70.9754 174.3756 19 V 4.6358 8.5405 124.6315 60.1093 35.0613 174.4957 20 T 4.9080 8.3520 117.9965 61.8202 71.7844 173.1780 21 I 4.5489 8.6707 127.1128 59.5103 39.6137 175.0591 22 S 5.3444 8.7232 121.3655 57.0461 66.4220 173.9263 23 C 5.2047 9.4911 120.9729 55.5711 44.8797 172.5068 24 T 4.8458 9.0436 124.5840 62.2949 69.9284 174.2143 25 R 4.8664 8.5533 127.6247 55.6785 30.4792 176.4969 26 S 4.5972 8.8490 121.5800 60.6749 63.9283 174.4063 27 S 4.4989 7.7610 112.1667 57.3196 65.8373 174.7798 27A G 3.8013 8.4352 110.8051 44.9299 0.0000 171.9366 27B N 4.9586 8.0074 115.1170 51.1297 39.8322 176.1394 28 I 3.4353 9.1111 123.7582 63.9786 38.1885 177.6536 29 A 3.7841 7.7832 121.4304 54.4198 18.4413 178.5534 30 S 4.2545 7.8124 111.6603 60.6421 63.1395 174.3804 31 N 5.0104 7.3130 115.7303 51.0364 42.5591 173.8039 32 Y 4.7412 8.4533 118.9882 58.4737 39.5773 174.9734 33 V 4.5821 9.4163 123.1011 61.3178 34.2802 174.4460 34 Q 5.1077 8.8305 126.2238 53.8917 32.2599 174.4492 35 W 5.2923 8.9656 121.3160 55.1567 32.7770 174.1739 36 Y 5.4231 9.5622 121.4441 56.3236 41.3486 174.2313 37 Q 4.8256 9.4898 123.9098 54.4416 31.7395 174.1221 38 Q 4.8578 8.8331 126.6377 54.2283 33.2081 174.1305 *42 S 4.4132 8.4971 116.5546 57.5292 64.1030 173.1123 43 A 4.1462 8.1350 123.1830 51.1560 18.7136 175.5458 44 P 4.7594 0.0000 0.0000 62.7948 32.2179 176.1385 45 I 4.7049 8.8773 116.8299 59.1436 40.6149 174.9444 46 T 4.5478 8.7914 121.5394 64.2520 68.2359 174.4579 47 V 4.3172 9.0049 119.5630 61.6759 34.2743 176.3437 48 I 5.1121 7.7010 120.0767 59.6831 41.5935 173.9409 49 Y 4.9922 8.5706 123.2706 54.7550 42.0291 174.3778 50 E 3.3349 9.9965 117.1692 57.5706 27.8121 175.1922 51 D 5.3438 10.0164 124.0862 54.8808 40.5802 177.1483 52 N 5.0068 7.5638 109.3318 53.4018 39.3396 173.4526 53 Q 4.1366 8.1841 119.9459 55.3305 30.1780 174.8750 54 R 4.8754 8.2479 123.0104 54.2686 31.6020 174.8405 55 P 4.7065 0.0000 0.0000 62.1985 32.9928 175.9989 56 S 4.2412 8.6791 117.1988 60.8545 63.0618 175.2898 57 G 3.9768 8.9932 113.1996 45.2471 0.0000 173.5845 58 V 3.7395 7.2551 119.7294 61.3821 32.1374 174.0449 59 P 4.4638 0.0000 0.0000 62.8677 31.7669 177.1868 60 D 4.5335 8.7740 121.6048 57.0951 41.0838 177.9173 61 R 4.0122 8.1214 115.3288 58.0670 30.3919 176.0807 62 F 4.8758 8.2797 119.5206 56.1846 40.1992 175.2693 63 A 4.6308 8.8446 125.4540 50.0394 22.0805 174.8236 64 G 4.5280 8.9726 109.5580 44.1715 0.0000 172.9455 65 S 4.9440 9.0513 116.4849 56.7183 67.2290 172.6243 66 I 4.8876 8.3478 120.5984 59.6088 40.1121 174.8673 66A D 4.7312 9.2329 126.7852 52.3257 42.3187 176.4813 66B R 3.9402 8.6588 126.5604 58.9554 30.5469 179.7320 67 S 4.1160 8.3059 111.9937 60.5431 63.1169 174.9386 68 S 4.5237 7.6458 112.5731 56.8110 63.5025 173.1280 69 N 4.1301 7.8044 119.2837 54.9996 37.7868 172.8469 70 S 5.3428 8.3545 109.6067 56.5405 67.5547 173.0348 71 A 5.3728 9.2543 121.7434 50.4481 22.3868 175.4561 72 S 5.2213 9.2662 115.0709 56.7131 67.8456 172.8443 73 L 4.3171 7.9640 125.7165 53.3905 43.8618 174.9705 74 T 4.7865 8.7519 123.5561 61.7272 71.3116 173.2448 75 I 4.3755 8.3998 127.9860 59.6545 39.0517 175.3384 76 S 4.6265 8.0019 123.6223 56.1701 64.7724 174.0766 77 G 3.8809 8.3096 107.3399 46.8172 0.0000 173.5270 78 L 3.7364 7.4283 119.0844 54.6222 42.8928 175.9563 79 K 4.9532 9.4015 124.8322 54.2326 35.7277 177.1318 80 T 3.8901 8.6011 111.1838 65.1087 68.4965 176.2012 81 E 4.0936 8.1816 119.9502 58.9453 29.5483 177.4791 82 D 4.8092 8.2167 117.3148 55.4418 41.2026 176.3454 83 E 4.7021 8.3754 119.5659 56.2966 29.8378 176.3531 84 A 4.2959 8.2732 125.0122 51.7838 22.4894 174.3034 85 D 5.0691 7.8376 118.8153 53.9370 42.7447 175.7154 86 Y 5.3289 9.1746 120.0739 56.5069 41.5149 174.0681 87 Y 5.4304 9.5562 122.1217 56.4106 41.0337 172.9898 88 C 4.3352 9.0471 118.5536 54.5580 43.3735 172.2481 89 Q 4.7206 8.0781 119.7507 55.3755 32.6116 173.5054 90 S 4.2655 8.3489 118.8057 56.8690 66.0613 171.8297 91 Y 5.1951 8.7701 114.5591 56.7761 41.4864 175.0684 92 D 4.9840 8.4670 121.2095 53.6071 41.2079 175.5098 93 A 3.8495 8.9400 125.6768 51.7693 15.9081 175.4626 94 R 4.2828 7.8379 120.5402 55.4695 27.8790 176.2084 95 N 4.4083 8.5359 114.7984 53.4169 38.4798 175.2496 96 V 4.0450 8.3066 116.1923 61.1496 32.7226 175.4878 97 V 4.2478 8.2757 124.8971 60.9626 33.8625 174.2069 98 F 5.2694 8.6515 125.6179 55.3975 41.8685 175.3678 99 G 4.4753 9.0820 110.7278 45.8297 0.0000 173.9854 100 G 3.8728 8.8667 107.9380 45.9636 0.0000 174.1765 101 G 3.3616 8.4920 108.1621 45.6556 0.0000 172.3448 102 T 5.0295 8.4686 117.8535 61.3804 72.2353 173.0405 103 R 4.6940 9.7237 128.6825 55.5848 31.7951 174.8197 104 L 4.8091 9.1234 129.9241 54.6386 43.4176 175.1490 105 T 4.8938 8.8123 124.4210 62.2089 70.4750 174.0501 106 V 4.5552 9.0948 127.4434 61.1845 32.4026 175.7375 107 L 4.1633 8.7511 128.8663 54.8599 42.7038 177.7952 108 G 3.9362 8.8098 108.2718 46.0486 0.0000 174.0920 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 N 8.65 5.09 0.00 2.64 2.86 0.00 0.00 5.84 6.55 0.00 0.00 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 F 7.94 5.00 0.00 3.08 3.01 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 3 M 10.18 4.88 0.00 2.07 2.22 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 2.52 2.54 0.00 4 L 8.45 5.27 0.00 1.64 1.61 0.96 0.54 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 5 N 9.37 5.47 0.00 2.77 2.69 0.00 0.00 6.27 6.67 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 6 Q 8.85 5.40 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 7 P 0.00 4.49 0.00 2.18 2.10 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 8 H 8.16 4.95 0.00 3.24 3.57 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.47 5.33 0.00 3.72 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 *11 V 8.50 4.56 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 1.28 0.00 0.00 0.96 0.00 0.00 12 S 8.09 5.61 0.00 3.91 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 13 E 8.23 4.72 0.00 2.01 1.71 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 2.14 2.27 0.00 14 S 8.22 4.80 0.00 3.80 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 15 P 0.00 4.40 0.00 2.02 1.98 0.00 3.68 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 2.02 2.09 0.00 16 G 9.00 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 17 K 7.47 4.43 0.00 1.83 1.70 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 18 T 8.19 5.04 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 1.14 0.00 0.00 19 V 8.54 4.64 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 0.73 0.00 0.00 0.84 0.00 0.00 20 T 8.35 4.91 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 1.16 0.00 0.00 21 I 8.67 4.55 1.53 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 1.11 0.00 0.00 22 S 8.72 5.34 0.00 3.96 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 23 C 9.49 5.20 0.00 3.09 3.33 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 24 T 9.04 4.85 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 1.23 0.00 0.00 25 R 8.55 4.87 0.00 1.70 1.82 0.00 2.34 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 26 S 8.85 4.60 0.00 4.00 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 27 S 7.76 4.50 0.00 3.97 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 27A G 8.44 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 27B N 8.01 4.96 0.00 2.76 2.67 0.00 0.00 6.47 7.43 0.00 0.00 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 I 9.11 3.44 1.94 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 1.32 1.19 0.89 0.00 0.00 29 A 7.78 3.78 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 30 S 7.81 4.25 0.00 3.86 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 31 N 7.31 5.01 0.00 2.55 2.85 0.00 0.00 7.02 7.34 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 32 Y 8.45 4.74 0.00 3.14 3.08 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 0.00 33 V 9.42 4.58 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 0.64 0.00 0.00 0.93 0.00 0.00 34 Q 8.83 5.11 0.00 1.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 35 W 8.97 5.29 0.00 3.21 3.20 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 36 Y 9.56 5.42 0.00 3.10 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 37 Q 9.49 4.83 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.03 1.62 0.00 38 Q 8.83 4.86 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.18 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 *42 S 8.50 4.41 0.00 4.03 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 43 A 8.14 4.15 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 44 P 0.00 4.76 0.00 1.74 2.01 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 45 I 8.88 4.70 1.92 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 1.32 1.01 0.93 0.00 0.00 46 T 8.79 4.55 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 1.34 0.00 0.00 47 V 9.00 4.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 1.15 0.00 0.00 48 I 7.70 5.11 2.19 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 1.46 0.92 1.05 0.00 0.00 49 Y 8.57 4.99 0.00 2.90 2.96 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 50 E 10.00 3.33 0.00 1.71 1.43 0.00 0.00 0.00 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 1.95 0.00 51 D 10.02 5.34 0.00 2.94 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 52 N 7.56 5.01 0.00 2.72 2.98 0.00 0.00 6.00 7.39 0.00 0.00 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 Q 8.18 4.14 0.00 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.90 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 54 R 8.25 4.88 0.00 1.68 1.88 0.00 3.53 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 55 P 0.00 4.71 0.00 2.14 2.05 0.00 3.80 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 56 S 8.68 4.24 0.00 3.88 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 57 G 8.99 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 0.00 0.00 0.00 58 V 7.26 3.74 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 0.63 0.00 0.00 0.88 0.00 0.00 59 P 0.00 4.46 0.00 2.54 2.10 0.00 3.56 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 60 D 8.77 4.53 0.00 2.68 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 61 R 8.12 4.01 0.00 1.92 2.14 0.00 2.95 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.12 0.00 62 F 8.28 4.88 0.00 3.03 2.99 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 63 A 8.84 4.63 1.13 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 0.00 0.00 64 G 8.97 4.53 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 0.00 0.00 0.00 65 S 9.05 4.94 0.00 3.85 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 66 I 8.35 4.89 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.98 0.00 0.00 66A D 9.23 4.73 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66B R 8.66 3.94 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 67 S 8.31 4.12 0.00 3.97 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 68 S 7.65 4.52 0.00 3.87 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 69 N 7.80 4.13 0.00 2.88 2.82 0.00 0.00 6.67 7.68 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 70 S 8.35 5.34 0.00 4.03 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 71 A 9.25 5.37 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 72 S 9.27 5.22 0.00 3.71 3.62 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 73 L 7.96 4.32 0.00 0.27 0.13 0.68 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.75 4.79 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 1.10 0.00 0.00 75 I 8.40 4.38 1.46 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.17 0.17 0.00 0.00 76 S 8.00 4.63 0.00 3.64 3.68 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 77 G 8.31 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 78 L 7.43 3.74 0.00 1.89 1.52 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 K 9.40 4.95 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.46 7.81 80 T 8.60 3.89 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 1.22 0.00 0.00 81 E 8.18 4.09 0.00 2.07 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 0.00 2.35 2.38 0.00 82 D 8.22 4.81 0.00 2.80 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 83 E 8.38 4.70 0.00 2.05 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 2.57 2.27 0.00 84 A 8.27 4.30 1.03 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 0.00 0.00 85 D 7.84 5.07 0.00 2.67 2.40 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 86 Y 9.17 5.33 0.00 3.05 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 87 Y 9.56 5.43 0.00 3.21 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 88 C 9.05 4.34 0.00 1.79 1.18 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 0.00 0.00 0.00 0.00 89 Q 8.08 4.72 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.49 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.00 90 S 8.35 4.27 0.00 3.86 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 91 Y 8.77 5.20 0.00 3.00 2.80 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 92 D 8.47 4.98 0.00 2.64 2.72 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 93 A 8.94 3.85 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 94 R 7.84 4.28 0.00 1.90 2.13 0.00 3.38 0.00 0.00 3.28 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 95 N 8.54 4.41 0.00 2.91 2.96 0.00 0.00 5.98 7.68 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 96 V 8.31 4.04 1.65 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 0.72 0.00 0.00 1.01 0.00 0.00 97 V 8.28 4.25 1.67 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 0.78 0.00 0.00 0.17 0.00 0.00 98 F 8.65 5.27 0.00 2.91 2.88 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 99 G 9.08 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 0.00 0.00 0.00 0.00 100 G 8.87 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 0.00 101 G 8.49 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 0.00 0.00 0.00 102 T 8.47 5.03 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 1.32 0.00 0.00 103 R 9.72 4.69 0.00 1.99 1.84 0.00 3.26 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 104 L 9.12 4.81 0.00 1.95 2.00 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.81 4.89 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 1.30 0.00 0.00 106 V 9.09 4.56 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 0.76 0.00 0.00 0.98 0.00 0.00 107 L 8.75 4.16 0.00 1.59 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.81 3.94 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.