NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9193 8.2127 109.7368 44.9393 0.0000 174.0234 2 S 3.8636 8.2158 115.8550 60.8621 62.8032 173.3137 3 S 4.0761 8.2377 113.3138 61.7335 63.2289 173.3113 4 G 3.7019 7.5298 103.6502 44.0977 0.0000 172.3822 5 S 4.5917 8.4076 116.1469 56.7924 62.4141 174.6246 6 S 4.5560 8.7323 123.2714 57.3263 66.4183 173.8045 7 G 3.8607 8.9634 113.7186 45.4852 0.0000 173.2500 8 M 4.3370 8.1230 123.7577 55.3956 32.3426 176.2617 9 S 4.8448 8.1718 114.1556 56.4587 66.0524 173.8454 10 L 4.3698 8.3179 122.5175 54.0727 42.2408 177.2324 11 S 4.7028 8.4043 118.0517 57.1943 65.0122 173.8644 12 D 4.4598 8.6624 120.2686 56.5314 41.3799 176.7237 13 W 4.1008 8.2769 128.1386 57.8790 30.8490 174.2758 14 H 5.2829 7.9928 119.9686 54.0039 32.0766 171.8204 15 L 4.7258 8.5708 119.5788 53.7897 46.1889 174.1626 16 A 5.1427 8.6483 125.6661 50.5239 21.5357 176.1815 17 V 4.6824 8.9850 121.1718 60.9626 34.7169 174.4139 18 K 4.8174 8.9642 127.3212 54.3306 35.6170 175.2452 19 L 4.3260 8.5296 126.4197 54.3418 42.1764 176.7194 20 A 4.0488 8.3241 128.7777 55.2235 18.2850 178.3577 21 D 4.3857 8.3062 113.6096 56.6413 41.6355 175.9791 22 Q 4.4495 8.0369 117.9526 53.0582 29.5037 173.6546 23 P 4.4882 0.0000 0.0000 64.0119 31.9151 177.9222 24 L 4.2640 7.7160 118.0617 56.1999 42.4979 177.1319 25 A 4.1482 7.4154 121.1287 51.2499 18.8400 175.3843 26 P 4.3990 0.0000 0.0000 62.1994 32.1621 176.2894 27 K 4.2945 8.4988 122.9222 56.8648 32.9835 176.0263 28 S 4.8850 8.9360 122.4767 57.0478 66.1136 172.9372 29 I 4.8189 8.2073 122.5405 59.7478 38.7015 174.7997 30 L 4.5211 9.1070 130.4877 53.6126 43.8136 175.2155 31 Q 4.9124 8.6714 126.7337 53.9596 29.2690 175.7478 32 L 4.2013 8.5233 124.7603 54.4167 41.3220 175.2470 33 P 4.5568 0.0000 0.0000 62.3470 32.2303 175.2467 34 E 4.3567 8.4111 119.1726 55.7953 30.1214 174.8780 35 T 4.6639 8.0270 116.0586 59.4829 70.1771 174.5320 36 E 3.9431 8.7615 123.4154 59.1408 29.3464 177.3978 37 L 4.4792 7.2694 118.1554 53.4413 43.5302 178.2494 38 G 4.1174 8.5437 109.9399 45.8933 0.0000 173.5666 39 E 4.5701 8.9124 117.1020 56.8413 31.4430 176.0025 40 Y 4.2505 8.5422 116.9707 56.4562 38.2396 175.4596 41 S 3.9857 8.5554 114.0001 58.3299 61.7262 173.8382 42 L 3.5116 8.7237 127.8560 57.2357 42.1181 178.2759 43 G 4.0243 7.9038 105.4387 45.3951 0.0000 171.6592 44 G 4.0226 7.5639 107.2617 46.3133 0.0000 173.1413 45 Y 3.8845 7.8209 117.1730 58.2634 38.5952 175.1859 46 S 5.2279 8.1168 116.6447 56.0574 65.6668 175.1374 47 I 3.6974 8.7646 126.8385 65.0448 36.6949 178.0365 48 S 4.0584 7.9346 111.9297 61.4673 62.6619 175.3835 49 F 4.4123 8.5613 123.4093 61.6146 39.0502 176.7278 50 L 3.8097 8.1726 117.6036 58.1656 41.7010 179.5974 51 K 3.8294 8.0669 117.7989 59.3705 31.8863 179.0547 52 Q 4.0678 8.1879 118.4969 58.3705 28.9396 177.6632 53 L 3.7866 7.4607 119.2887 58.0651 41.5933 179.5481 54 I 3.6267 7.7663 118.8885 64.5467 36.9380 178.4684 55 A 4.1548 7.4101 118.7830 54.8330 18.1578 179.3802 56 G 3.6760 7.9078 103.4214 46.9474 0.0000 175.6456 57 K 4.3110 7.5457 119.5494 58.1356 32.7594 177.8848 58 L 4.5542 8.0353 118.5237 54.7919 41.8416 178.5613 59 Q 4.5976 8.4923 119.8680 57.7595 28.9135 178.2445 60 E 4.1399 8.2762 115.2129 58.5251 29.9479 177.5449 61 S 4.5250 8.3667 113.6909 59.5406 65.0038 174.9289 62 V 3.7984 7.5988 121.1621 61.8441 31.7838 174.5255 63 P 4.2834 0.0000 0.0000 65.5199 31.5131 176.1094 64 D 4.7581 7.4941 117.6218 51.5059 44.7214 174.5395 65 P 4.4186 0.0000 0.0000 65.2642 31.6942 177.4508 66 E 4.1996 8.0645 117.6901 58.3264 29.9630 176.7802 67 L 4.5145 7.6279 116.8969 54.4908 41.5901 175.6558 68 I 5.0630 7.1928 112.0341 60.3951 41.1669 172.8540 69 D 4.7427 8.8327 120.1396 53.6633 46.2220 174.1197 70 L 5.2165 8.4820 120.9838 53.4465 45.0882 174.7629 71 I 5.0427 9.0946 126.5747 59.7122 40.2543 173.9509 72 Y 4.7538 8.7776 127.5157 56.4522 42.5025 174.5309 73 C 3.6204 8.6767 123.7468 60.2671 30.0873 173.4682 74 G 3.9387 8.7237 102.8670 45.0485 0.0000 174.0805 75 R 4.6241 8.0499 115.5992 53.5387 32.4559 174.6587 76 K 4.5315 8.6319 121.9946 56.7633 33.3198 175.5537 77 L 4.7771 8.2435 124.1126 52.6774 43.6403 177.0553 78 K 4.4122 8.9441 123.6023 56.0154 33.0766 176.7016 79 D 4.6812 8.6522 119.4805 54.0318 39.5961 176.4986 80 D 4.7414 7.9093 117.7348 54.3372 41.0347 175.4309 81 Q 4.1787 7.6055 119.2721 54.2425 31.5460 173.9914 82 T 5.2422 7.5623 109.3988 58.2815 73.2431 174.6859 83 L 4.1043 8.4771 121.1687 58.0984 41.2402 179.2791 84 D 4.4317 8.1299 117.5144 56.8087 41.0525 177.8025 85 F 3.8095 7.6539 119.6696 61.5742 39.4569 176.3390 86 Y 4.5462 7.9375 114.3545 58.8423 37.8861 176.6963 87 G 4.1243 7.5373 106.7617 45.3249 0.0000 173.6064 88 I 3.7863 7.5755 119.7846 61.1618 37.6190 175.5880 89 Q 4.5290 8.1855 121.4108 53.0886 32.3938 173.6168 90 P 3.8100 0.0000 0.0000 61.1391 28.9982 176.4915 91 G 4.8867 7.5279 127.0700 47.6525 0.0000 170.3376 92 S 4.5563 7.0633 116.8193 58.6452 64.7432 173.1050 93 T 5.0847 8.2645 116.0843 62.4299 71.5010 174.6967 94 V 4.5667 8.6162 119.4176 60.2804 35.0098 174.3813 95 H 5.9602 9.0361 118.4605 53.1963 32.1293 173.2528 96 V 4.5703 8.3809 122.3627 61.8573 33.4917 174.1655 97 L 4.8671 8.6475 128.8568 53.2642 45.1690 175.3420 98 R 4.5406 8.6888 125.3375 55.8477 30.5194 176.5007 99 K 4.1599 8.4819 124.4954 59.3261 32.4256 176.7943 100 S 4.5625 7.6358 109.9923 56.8073 65.4667 172.5223 101 W 4.7432 8.5074 131.4561 56.2719 30.8248 175.0956 102 S 3.4050 6.4095 116.4704 59.3392 61.7890 175.9430 103 G 4.3983 5.3800 118.5972 46.3155 0.0000 172.3994 104 P 4.6253 0.0000 0.0000 61.2489 29.4866 174.8406 105 S 3.9161 8.5524 120.9348 59.9433 63.3252 174.5180 106 S 4.1704 8.4983 115.5726 58.3200 64.8835 175.1843 107 G 4.2581 8.8773 116.1152 46.1403 0.0000 172.6358 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 G 8.21 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 2 S 8.22 3.86 0.00 3.92 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 3 S 8.24 4.08 0.00 3.86 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 4 G 7.53 3.70 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 5 S 8.41 4.59 0.00 3.83 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 6 S 8.73 4.56 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.96 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 0.00 0.00 0.00 8 M 8.12 4.34 0.00 2.15 2.13 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 2.58 2.58 0.00 9 S 8.17 4.84 0.00 3.87 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 10 L 8.32 4.37 0.00 1.65 1.63 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.40 4.70 0.00 4.06 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 12 D 8.66 4.46 0.00 2.71 2.82 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 13 W 8.28 4.10 0.00 3.45 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 14 H 7.99 5.28 0.00 3.17 3.33 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.57 4.73 0.00 1.88 1.58 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.65 5.14 1.30 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 0.00 0.00 0.00 17 V 8.99 4.68 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 1.06 0.00 0.00 0.94 0.00 0.00 18 K 8.96 4.82 0.00 1.53 1.66 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.44 7.81 19 L 8.53 4.33 0.00 1.79 1.74 0.94 1.00 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 20 A 8.32 4.05 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 21 D 8.31 4.39 0.00 2.66 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 22 Q 8.04 4.45 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 P 0.00 4.49 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 24 L 7.72 4.26 0.00 1.65 1.76 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.42 4.15 1.30 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 0.00 0.00 0.00 26 P 0.00 4.40 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 27 K 8.50 4.29 0.00 1.78 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.40 7.81 28 S 8.94 4.88 0.00 3.80 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 29 I 8.21 4.82 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 1.22 0.80 0.98 0.00 0.00 30 L 9.11 4.52 0.00 1.72 1.57 0.92 0.48 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 31 Q 8.67 4.91 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 32 L 8.52 4.20 0.00 1.78 1.64 0.40 -0.35 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 33 P 0.00 4.56 0.00 2.31 2.23 0.00 4.05 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 34 E 8.41 4.36 0.00 2.00 1.92 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 2.32 2.35 0.00 35 T 8.03 4.66 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 1.36 0.00 0.00 36 E 8.76 3.94 0.00 2.09 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 2.23 2.25 0.00 37 L 7.27 4.48 0.00 1.79 1.94 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.54 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.91 4.57 0.00 2.16 2.16 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 2.26 2.44 0.00 40 Y 8.54 4.25 0.00 3.18 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 41 S 8.56 3.99 0.00 3.89 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 42 L 8.72 3.51 0.00 1.35 1.62 -1.38 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.90 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.56 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.82 3.88 0.00 2.88 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 46 S 8.12 5.23 0.00 3.83 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 47 I 8.76 3.70 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.39 0.98 0.00 0.00 48 S 7.93 4.06 0.00 3.89 3.97 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 49 F 8.56 4.41 0.00 3.11 3.27 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 50 L 8.17 3.81 0.00 1.97 1.73 0.96 0.91 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 51 K 8.07 3.83 0.00 2.04 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.53 7.81 52 Q 8.19 4.07 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.69 0.00 53 L 7.46 3.79 0.00 1.64 1.59 -0.41 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.77 3.63 1.85 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 1.46 0.53 0.91 0.00 0.00 55 A 7.41 4.15 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 56 G 7.91 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 0.00 0.00 0.00 57 K 7.55 4.31 0.00 1.80 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.60 7.81 58 L 8.04 4.55 0.00 1.65 1.66 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.49 4.60 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.06 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 60 E 8.28 4.14 0.00 2.08 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 2.28 2.35 0.00 61 S 8.37 4.53 0.00 3.81 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 62 V 7.60 3.80 2.19 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 0.98 0.00 0.00 0.94 0.00 0.00 63 P 0.00 4.28 0.00 2.16 2.10 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 64 D 7.49 4.76 0.00 2.72 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 65 P 0.00 4.42 0.00 2.16 2.22 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 66 E 8.06 4.20 0.00 1.97 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 0.00 2.28 2.31 0.00 67 L 7.63 4.51 0.00 1.73 1.63 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.19 5.06 1.88 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 1.38 0.63 1.00 0.00 0.00 69 D 8.83 4.74 0.00 2.73 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 70 L 8.48 5.22 0.00 1.74 1.48 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.09 5.04 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 1.27 0.99 0.95 0.00 0.00 72 Y 8.78 4.75 0.00 2.90 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 73 C 8.68 3.62 0.00 2.63 2.89 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 74 G 8.72 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 75 R 8.05 4.62 0.00 1.97 2.01 0.00 3.04 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 76 K 8.63 4.53 0.00 1.81 1.78 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.50 7.81 77 L 8.24 4.78 0.00 1.51 1.50 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.94 4.41 0.00 1.66 1.75 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 79 D 8.65 4.68 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.74 0.00 2.58 2.60 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 0.00 0.00 0.00 0.00 81 Q 7.61 4.18 0.00 2.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 5.86 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 82 T 7.56 5.24 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 1.34 0.00 0.00 83 L 8.48 4.10 0.00 1.72 1.89 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.13 4.43 0.00 2.82 2.70 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 85 F 7.65 3.81 0.00 3.06 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 86 Y 7.94 4.55 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.58 3.79 1.85 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 -0.30 0.14 0.84 0.00 0.00 89 Q 8.19 4.53 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.15 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 90 P 0.00 3.81 0.00 1.37 0.49 0.00 3.16 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 91 G 7.53 4.89 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 92 S 7.06 4.56 0.00 3.88 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 93 T 8.26 5.08 4.20 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 1.19 0.00 0.00 94 V 8.62 4.57 2.26 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 0.90 0.00 0.00 0.99 0.00 0.00 95 H 9.04 5.96 0.00 3.02 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.38 4.57 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 1.01 0.00 0.00 0.94 0.00 0.00 97 L 8.65 4.87 0.00 1.72 1.46 0.94 0.69 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 98 R 8.69 4.54 0.00 1.80 1.91 0.00 3.34 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 99 K 8.48 4.16 0.00 1.60 1.89 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.62 1.41 7.81 100 S 7.64 4.56 0.00 3.81 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 0.00 101 W 8.51 4.74 0.00 3.33 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 0.00 102 S 6.41 3.40 0.00 2.72 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 0.00 103 G 5.38 4.40 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 0.00 104 P 0.00 4.63 0.00 2.36 2.20 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 105 S 8.55 3.92 0.00 3.91 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 0.00 106 S 8.50 4.17 0.00 3.95 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 0.00 107 G 8.88 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