NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2579 8.3044 118.1927 55.3669 33.1581 174.4152 2 D 4.0890 8.3759 114.7904 53.0417 39.2039 171.4977 3 P 4.6560 0.0000 0.0000 63.7058 32.5849 177.2879 4 E 3.9427 8.0398 120.8345 59.8832 29.4188 179.1932 5 L 3.9504 7.8059 118.4710 57.8399 41.9238 179.3273 6 Q 4.0336 8.0369 117.5229 58.7397 28.1279 178.1546 7 C 4.0351 8.2593 120.0412 62.7835 31.6904 175.8466 8 I 3.7887 7.3290 120.8576 64.2931 36.7015 178.4444 9 R 4.0762 7.9148 119.5426 59.2540 29.5352 178.5285 10 E 3.9477 8.0269 118.5673 59.5651 29.5239 178.7979 11 C 4.0213 7.8158 117.5033 62.0946 31.3935 175.4806 12 R 3.8916 8.3292 120.3083 59.2544 29.3884 177.9686 13 L 4.0677 7.9633 119.8600 57.9357 41.8419 178.7057 14 A 4.1271 7.3333 119.6421 54.5792 18.5204 178.8259 15 Q 4.0532 7.9479 116.7081 56.8537 29.5353 175.5690 16 L 4.1162 6.9718 121.0925 55.0403 42.9358 174.1822 17 K 3.5965 8.7734 128.5717 56.7184 30.2767 172.7915 18 N 4.9836 7.9055 123.4040 53.6305 42.5706 171.3836 19 N 3.9676 9.0347 123.3809 51.1055 39.9413 174.6477 20 S 3.5791 7.8000 109.8176 58.3441 61.7702 172.8156 21 G 3.8090 7.4516 109.9372 42.0705 0.0000 177.7814 22 G 3.8243 7.8053 106.3333 43.2872 0.0000 173.0691 23 T 3.0817 8.5034 129.4762 63.2260 64.9869 171.4316 24 N 3.7002 8.2830 123.6286 54.0648 38.2737 173.1908 25 G 4.0922 8.2269 107.5128 44.9806 0.0000 171.3247 26 D 4.6472 8.3427 123.5153 55.0724 47.3800 175.8545 27 R 4.2019 7.9770 118.9534 55.8375 30.9944 176.6589 28 N 4.8223 8.1274 120.5292 51.1060 36.9792 173.3560 29 S 4.1222 7.5630 113.2440 57.7643 62.5677 168.0480 30 G 4.3421 7.2114 116.3009 45.2190 0.0000 172.5481 31 A 4.5430 7.6821 127.8082 49.9784 21.8207 175.8058 32 N 4.8655 8.3181 118.3639 51.9829 40.0807 174.2991 33 N 4.5145 8.6766 120.4188 53.9642 39.3232 172.6103 34 G 4.2613 7.7631 112.5981 45.6089 0.0000 175.3630 35 G 3.4655 8.3286 111.8398 43.9793 0.0000 174.9968 36 G 4.0284 8.8274 106.7285 43.5272 0.0000 177.3943 37 E 4.0711 8.7528 120.9298 56.4490 30.4140 177.0283 38 N 4.3230 8.3229 117.1354 53.2087 39.0958 173.8424 39 S 4.7017 8.2227 118.2535 57.8962 61.3911 177.4294 40 A 5.3099 7.8558 119.7902 51.8020 20.2130 173.4388 41 P 4.0373 0.0000 0.0000 61.5127 31.8013 180.9992 42 V 3.0282 8.6056 113.6762 61.3571 32.6896 173.8822 43 G 3.6727 8.7756 105.6866 49.2025 0.0000 175.0432 44 A 4.2311 7.7189 121.8776 55.1323 17.7304 179.5723 45 A 4.0691 8.7741 120.1457 55.0122 18.5035 179.5609 46 I 3.6370 8.4441 111.5916 63.4086 37.7060 178.2206 47 A 4.1106 7.5246 122.7632 54.8601 18.5114 178.2320 48 N 4.5800 7.8829 112.7296 55.4898 39.2867 176.8501 49 F 4.0783 8.2807 115.1746 57.9713 38.7607 174.5092 50 L 4.7423 7.5709 120.9475 52.5149 43.6137 176.2811 51 E 4.0685 8.4117 124.0752 56.0531 30.2746 176.9716 52 P 4.2266 0.0000 0.0000 66.4810 31.8247 178.4988 53 Q 4.1057 8.0682 118.0779 58.2245 28.5881 178.6715 54 A 4.0548 7.9748 121.1807 54.8595 18.2952 179.1802 55 L 3.9526 7.9922 119.1828 58.4015 42.0772 179.1149 56 E 3.9930 8.0501 118.2636 58.9781 29.3135 179.0471 57 R 3.8239 7.8506 118.4272 59.5603 30.2646 178.1477 58 L 3.9694 7.7670 120.0112 58.0981 41.6381 179.1451 59 S 4.1307 7.8116 114.5373 61.3061 62.7369 176.5598 60 R 3.8933 8.1656 122.1143 59.0313 30.1044 178.6079 61 V 3.7308 8.0128 118.8997 64.7780 31.7521 177.8585 62 A 3.7896 8.0889 121.6258 55.1606 17.9142 179.5645 63 L 3.8435 7.5777 115.4588 56.8204 41.6259 178.7659 64 V 4.3292 8.2769 117.6226 63.2280 34.0836 176.3165 65 R 4.5564 7.0725 116.6780 53.0317 31.0577 175.4203 66 R 3.9211 8.2101 122.1718 58.9719 30.3207 176.9204 67 D 4.3321 8.1019 117.6044 57.6228 41.0768 178.5171 68 R 4.0516 7.9541 117.6698 59.1111 30.0520 178.7303 69 A 4.0427 7.8823 120.1754 54.9876 18.1664 179.4812 70 Q 3.9319 8.5707 118.6497 59.2061 29.0918 178.1838 71 A 4.0909 7.7539 120.5780 54.6531 18.2898 179.8166 72 V 3.5732 7.6493 117.2720 66.2284 31.6737 178.1611 73 E 4.0396 8.0369 117.2645 59.8190 29.3655 179.2361 74 T 3.9442 7.7729 116.7129 66.2406 68.4565 176.1109 75 Y 3.9049 8.1313 121.7437 60.6705 38.8162 177.9837 76 L 4.0080 7.9348 121.4355 57.8948 42.1061 178.6471 77 K 3.7654 8.0589 119.6807 59.5584 32.0422 178.9078 78 K 3.7387 7.9578 118.6331 59.2416 31.9746 179.4580 79 L 3.8800 7.2545 120.0895 57.2776 41.3487 179.6607 80 I 3.4678 8.0214 118.6397 64.2275 37.0911 178.0959 81 A 4.0935 8.3520 121.5196 55.5773 18.0088 178.6061 82 T 3.9631 8.4701 109.3394 61.1069 68.5037 175.9476 83 N 4.9316 7.4435 134.1840 53.1814 39.0871 176.0694 84 N 4.2868 8.4039 116.3238 56.0147 38.7586 175.4697 85 V 3.5872 7.2044 115.6603 62.3866 31.6732 175.1499 86 T 4.5176 8.2841 110.7844 61.6550 69.8690 172.0152 87 H 4.7815 8.1596 115.3602 54.8213 30.9185 173.0264 88 K 4.3204 8.4482 121.0039 55.2424 32.4601 176.5501 89 I 4.0293 8.4126 126.5863 62.0908 38.7762 175.1153 90 T 5.0785 8.2976 113.6510 58.9418 72.4283 174.2780 91 E 4.0669 8.9667 118.9780 59.5778 29.0554 178.9249 92 A 4.0483 7.8807 121.0430 54.5445 18.7712 178.9741 93 E 4.1026 7.9275 119.1662 58.9333 29.6477 179.1458 94 I 3.6638 8.1788 120.2826 64.4470 37.1796 178.6713 95 V 3.5753 7.5782 119.4498 65.7459 31.4355 178.1564 96 S 4.0704 8.7385 114.9665 61.6433 62.8131 176.7140 97 I 3.5668 7.8068 123.8434 63.6414 36.9502 177.9973 98 L 3.9657 8.0695 121.4152 58.4680 41.3786 178.9261 99 N 4.4921 8.7084 116.8692 56.1077 38.3294 177.6660 100 G 3.4112 7.9460 107.0331 47.5255 0.0000 176.0250 101 I 3.7931 8.3029 122.3163 64.1241 36.8842 178.2824 102 A 3.7955 7.7437 120.3488 54.4491 18.1732 179.3890 103 K 4.0555 7.2523 117.9461 59.5424 32.4490 178.6723 104 Q 4.0544 7.7783 116.4221 58.5263 29.4185 177.4898 105 Q 3.1506 8.9738 120.9831 56.5491 27.7390 172.8447 106 N 5.1288 8.1590 117.6772 53.7882 44.7542 174.2442 107 S 4.7445 7.8418 117.4571 58.2187 70.0800 174.8969 108 Q 4.1341 7.7628 122.5858 55.7012 30.1441 171.6567 109 N 4.5306 8.2909 109.5876 49.8847 40.6118 173.4758 110 N 4.1093 8.0272 119.1276 54.8493 38.2154 174.2406 111 S 4.5412 7.8910 108.7532 57.0822 64.3185 172.6219 112 K 4.0033 8.1172 122.1843 57.9570 30.5481 175.2199 113 I 4.4929 7.5449 119.6322 62.0971 39.9185 177.7605 114 I 3.9378 7.8294 111.1225 61.9023 37.5779 175.5555 115 F 4.1690 7.6488 122.3464 58.8978 38.0695 174.5990 116 E 4.1187 7.8999 125.8210 56.3013 30.3702 175.7941 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 4.26 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 D 8.38 4.09 0.00 2.85 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 3 P 0.00 4.66 0.00 2.29 2.25 0.00 3.75 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 2.06 2.04 0.00 4 E 8.04 3.94 0.00 2.08 2.04 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 2.33 2.60 0.00 5 L 7.81 3.95 0.00 1.68 1.70 0.91 0.86 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 6 Q 8.04 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 7 C 8.26 4.04 0.00 3.17 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 8 I 7.33 3.79 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 1.39 0.22 0.88 0.00 0.00 9 R 7.91 4.08 0.00 1.90 2.11 0.00 3.09 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 10 E 8.03 3.95 0.00 2.22 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 2.40 2.49 0.00 11 C 7.82 4.02 0.00 3.06 2.94 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 12 R 8.33 3.89 0.00 1.92 2.04 0.00 3.29 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 13 L 7.96 4.07 0.00 1.92 1.77 0.92 1.07 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 14 A 7.33 4.13 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 15 Q 7.95 4.05 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 16 L 6.97 4.12 0.00 1.82 1.54 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.77 3.60 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.46 7.81 18 N 7.91 4.98 0.00 2.64 2.66 0.00 0.00 7.12 7.80 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 19 N 9.03 3.97 0.00 2.94 2.74 0.00 0.00 6.12 8.28 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 20 S 7.80 3.58 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 21 G 7.45 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.81 3.82 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 0.00 0.00 0.00 0.00 23 T 8.50 3.08 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 1.21 0.00 0.00 24 N 8.28 3.70 0.00 2.79 2.80 0.00 0.00 6.96 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 25 G 8.23 4.09 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 0.00 26 D 8.34 4.65 0.00 2.60 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 27 R 7.98 4.20 0.00 1.84 1.86 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 28 N 8.13 4.82 0.00 2.74 2.77 0.00 0.00 6.50 7.64 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 29 S 7.56 4.12 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 30 G 7.21 4.34 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 0.00 31 A 7.68 4.54 1.21 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 32 N 8.32 4.87 0.00 2.80 2.76 0.00 0.00 6.25 8.04 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 33 N 8.68 4.51 0.00 2.71 2.76 0.00 0.00 6.84 7.98 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 34 G 7.76 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 0.00 0.00 0.00 0.00 35 G 8.33 3.47 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 0.00 0.00 0.00 36 G 8.83 4.03 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 0.00 37 E 8.75 4.07 0.00 2.09 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 2.28 2.30 0.00 38 N 8.32 4.32 0.00 2.88 2.93 0.00 0.00 6.91 7.64 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 39 S 8.22 4.70 0.00 3.87 3.46 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 40 A 7.86 5.31 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 41 P 0.00 4.04 0.00 2.25 2.08 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 42 V 8.61 3.03 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 0.74 0.00 0.00 0.97 0.00 0.00 43 G 8.78 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.72 4.23 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 45 A 8.77 4.07 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 46 I 8.44 3.64 1.83 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 1.65 0.61 0.93 0.00 0.00 47 A 7.52 4.11 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 48 N 7.88 4.58 0.00 2.80 2.84 0.00 0.00 6.89 8.02 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 49 F 8.28 4.08 0.00 3.40 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 50 L 7.57 4.74 0.00 1.61 1.61 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.41 4.07 0.00 1.96 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 0.00 2.32 2.42 0.00 52 P 0.00 4.23 0.00 2.22 2.18 0.00 3.76 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 1.98 2.05 0.00 53 Q 8.07 4.11 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 54 A 7.97 4.05 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 55 L 7.99 3.95 0.00 2.01 1.67 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.05 3.99 0.00 2.30 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 2.33 2.35 0.00 57 R 7.85 3.82 0.00 1.92 2.11 0.00 3.23 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 58 L 7.77 3.97 0.00 1.77 1.66 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.81 4.13 0.00 4.04 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 0.00 60 R 8.17 3.89 0.00 1.86 2.13 0.00 3.26 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 1.64 1.63 0.00 61 V 8.01 3.73 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 0.80 0.00 0.00 0.93 0.00 0.00 62 A 8.09 3.79 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 63 L 7.58 3.84 0.00 1.83 1.74 0.98 0.76 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 64 V 8.28 4.33 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 0.81 0.00 0.00 1.00 0.00 0.00 65 R 7.07 4.56 0.00 1.90 1.77 0.00 3.18 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 66 R 8.21 3.92 0.00 1.97 1.92 0.00 3.17 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 67 D 8.10 4.33 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 68 R 7.95 4.05 0.00 1.89 1.95 0.00 3.18 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 69 A 7.88 4.04 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.57 3.93 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 71 A 7.75 4.09 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 72 V 7.65 3.57 2.24 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 1.13 0.00 0.00 1.01 0.00 0.00 73 E 8.04 4.04 0.00 2.21 2.22 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 2.51 2.43 0.00 74 T 7.77 3.94 4.41 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 1.22 0.00 0.00 75 Y 8.13 3.90 0.00 3.15 3.18 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 76 L 7.93 4.01 0.00 1.88 1.68 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.06 3.77 0.00 1.85 2.01 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 78 K 7.96 3.74 0.00 1.89 1.63 0.00 1.55 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.44 7.81 79 L 7.25 3.88 0.00 1.71 1.55 0.54 0.94 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 80 I 8.02 3.47 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.07 0.71 0.00 0.00 81 A 8.35 4.09 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 82 T 8.47 3.96 4.18 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 1.14 0.00 0.00 83 N 7.44 4.93 0.00 2.91 2.96 0.00 0.00 7.08 7.76 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 84 N 8.40 4.29 0.00 2.65 2.94 0.00 0.00 6.85 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 85 V 7.20 3.59 2.03 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 0.82 0.00 0.00 0.61 0.00 0.00 86 T 8.28 4.52 4.33 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 1.26 0.00 0.00 87 H 8.16 4.78 0.00 3.30 3.35 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.45 4.32 0.00 1.57 1.60 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.21 1.13 7.81 89 I 8.41 4.03 2.19 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.97 0.00 0.00 90 T 8.30 5.08 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 91 E 8.97 4.07 0.00 2.21 2.27 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 2.36 2.38 0.00 92 A 7.88 4.05 1.32 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 0.00 0.00 93 E 7.93 4.10 0.00 2.15 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 2.38 2.21 0.00 94 I 8.18 3.66 1.97 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 1.42 0.49 0.91 0.00 0.00 95 V 7.58 3.58 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 1.05 0.00 0.00 0.94 0.00 0.00 96 S 8.74 4.07 0.00 3.98 4.18 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 97 I 7.81 3.57 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.40 0.63 0.00 0.00 98 L 8.07 3.97 0.00 1.77 1.81 0.92 0.88 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 99 N 8.71 4.49 0.00 2.97 2.82 0.00 0.00 7.07 8.03 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 0.00 100 G 7.95 3.41 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 0.00 101 I 8.30 3.79 2.07 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 1.48 0.86 0.92 0.00 0.00 102 A 7.74 3.80 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 0.00 103 K 7.25 4.06 0.00 1.59 1.84 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 104 Q 7.78 4.05 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.76 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 105 Q 8.97 3.15 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 106 N 8.16 5.13 0.00 2.79 2.83 0.00 0.00 5.73 7.80 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 0.00 107 S 7.84 4.74 0.00 3.82 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 0.00 108 Q 7.76 4.13 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 109 N 8.29 4.53 0.00 2.72 2.65 0.00 0.00 6.78 8.00 0.00 0.00 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 N 8.03 4.11 0.00 2.79 2.85 0.00 0.00 6.82 7.65 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 0.00 111 S 7.89 4.54 0.00 3.87 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 0.00 112 K 8.12 4.00 0.00 1.80 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 113 I 7.54 4.49 1.90 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 1.60 1.41 0.94 0.00 0.00 114 I 7.83 3.94 1.90 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 1.38 0.84 0.93 0.00 0.00 115 F 7.65 4.17 0.00 3.03 3.15 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 0.00 116 E 7.90 4.12 0.00 1.97 1.68 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 2.17 2.27 0.00