NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2730 8.1593 110.9393 60.5996 68.9176 171.6427 11 K 3.6351 8.3881 127.2032 57.7799 32.7090 175.4908 12 N 4.7641 8.5857 129.9440 53.8706 41.5467 177.7765 13 G 3.9426 8.2150 104.1571 46.4650 0.0000 173.7422 14 R 4.2480 7.7592 119.1448 55.4411 30.9696 174.8945 15 D 4.3118 7.7732 117.9568 54.4616 43.5576 175.2113 16 S 4.7515 8.4229 117.0418 56.2547 65.1871 173.5708 17 Q 4.2480 8.2401 118.4778 54.9524 29.4724 175.7731 18 A 4.0931 8.4121 122.9699 52.7889 18.8580 177.7902 19 K 4.2709 8.6301 119.5925 55.7694 33.0518 177.2260 20 R 3.6660 7.8830 113.4548 56.7307 26.7183 174.6853 21 L 4.8413 8.6803 119.0360 53.0267 44.3162 177.6693 22 G 3.9713 7.6778 105.4895 44.3927 0.0000 171.9729 23 V 3.9634 7.9717 120.2497 62.9010 32.0465 176.3552 24 K 4.2178 8.9267 126.3384 56.9590 33.1966 177.2426 25 R 4.3604 7.5973 116.2964 54.3800 32.9194 174.8198 26 Y 5.0530 8.0537 120.1682 56.2267 39.6445 174.9249 27 E 4.4142 8.6636 122.3462 57.8195 30.5049 176.3809 28 G 3.7205 9.9249 114.5415 45.7910 0.0000 173.6520 29 Q 4.5122 7.5389 118.4402 54.0105 32.8554 174.9811 30 V 3.9906 8.6152 126.3925 63.5741 32.6641 175.4011 31 V 4.5816 8.7085 118.3012 59.8116 36.5040 175.6318 32 R 4.8379 8.5123 123.0527 54.3769 32.2118 175.4589 33 A 4.0601 8.4780 122.6256 54.4060 17.2324 177.1826 34 G 4.5554 8.8571 109.0959 46.4716 0.0000 171.7007 35 N 4.7164 7.6459 116.4252 52.0251 38.7191 174.9248 36 I 4.2015 8.3760 121.4081 62.0573 37.7168 175.6907 37 L 4.6873 9.1397 122.8538 55.5964 45.3329 177.0810 38 V 4.6874 7.5448 117.1210 61.8237 35.2679 172.5990 39 R 5.0392 9.2116 127.9062 54.4926 32.1659 175.1378 40 Q 4.8916 8.6232 121.1004 54.4658 31.5196 175.5192 41 R 4.2678 9.1960 120.7904 58.8820 31.7795 177.4275 42 G 4.0244 8.4965 99.8772 46.0598 0.0000 173.5052 43 T 4.5892 8.4142 114.5175 62.3712 70.0439 175.1203 44 R 3.9507 8.1177 120.5115 58.7749 30.8006 177.4737 45 F 5.0005 8.9463 115.0075 55.6714 42.9973 174.3286 46 K 4.4839 8.6547 121.1801 53.5116 34.9963 175.2415 47 P 4.8350 0.0000 0.0000 64.4085 32.4966 174.2395 48 G 4.1193 7.5799 104.1068 45.9527 0.0000 170.4954 49 K 3.8698 8.1719 119.6331 57.7462 32.2983 176.8423 50 N 3.9077 8.8594 123.3838 53.8199 35.5469 175.2892 51 V 4.0764 7.0837 118.3125 61.3179 34.4501 174.5410 52 G 3.9167 7.6423 116.3149 45.0334 0.0000 170.2176 53 M 6.0483 7.8054 115.7188 53.6014 34.3690 175.6161 54 G 4.0875 8.7179 110.3611 44.1483 0.0000 173.8193 55 R 3.7355 8.6793 117.5865 59.4510 29.8909 177.5000 56 D 4.3235 7.8518 113.7046 53.1377 39.3949 176.5204 57 F 4.2681 8.1091 116.3218 58.7947 37.1078 175.3263 58 T 4.3768 8.2960 118.0536 63.7805 69.8172 173.3194 59 L 5.4508 9.0583 124.3100 53.0627 44.4406 175.7133 60 F 5.4493 8.5245 117.9054 54.5846 41.7947 174.3367 61 A 4.2246 8.6652 121.6767 52.2938 19.0094 178.0679 62 L 4.1069 8.2880 118.4105 54.9802 43.7451 176.5741 63 V 4.4816 7.4101 110.0389 59.7576 35.9854 173.6439 64 D 5.3584 7.6439 119.1730 52.8635 42.9641 174.3897 65 G 3.9007 8.6945 104.4564 44.6228 0.0000 172.2604 66 V 4.9306 7.5814 116.7656 60.4351 34.7644 175.9617 67 V 4.7870 8.2263 125.1213 61.6473 33.3244 174.3555 68 E 5.2636 9.4589 125.4426 54.7948 32.7930 174.9446 69 F 5.1794 9.8551 121.8209 56.8120 41.4847 175.3394 70 Q 4.5483 8.7270 120.1236 55.4674 32.8631 172.3664 71 D 4.9532 8.9158 127.0435 52.8925 42.4475 176.5563 72 R 4.6393 9.0590 127.7413 56.4564 31.6538 178.2824 73 G 4.1874 7.7810 112.1200 46.2416 0.0000 177.8125 74 R 3.9742 8.9774 121.9929 59.2085 29.9873 177.7878 75 L 4.0789 8.3945 117.6582 57.0158 41.8489 177.9769 76 G 4.1146 6.5319 103.2473 44.9714 0.0000 170.4384 77 R 5.1414 7.8348 118.3630 54.8238 32.3472 175.7102 78 Y 5.1508 9.2189 121.5095 55.6795 41.5131 175.0524 79 V 4.6300 7.9269 120.3291 61.7674 34.6830 173.7197 80 H 4.9435 8.9629 122.2102 54.2189 32.7948 172.0260 81 V 4.7581 8.1863 119.6547 61.6004 32.2132 176.0485 82 R 4.4714 9.1618 126.7853 53.9603 29.3510 174.2333 83 P 4.6485 0.0000 0.0000 63.3204 32.4050 175.4413 84 L 4.2979 7.7131 115.7522 55.3654 42.1878 174.2240 85 A 4.0850 8.5372 122.8716 53.2337 18.9587 176.1929 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 10 T 8.16 4.27 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 11 K 8.39 3.64 0.00 1.94 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.58 7.81 12 N 8.59 4.76 0.00 2.93 2.87 0.00 0.00 7.00 7.58 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 13 G 8.22 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 14 R 7.76 4.25 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 15 D 7.77 4.31 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.42 4.75 0.00 4.01 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.24 4.25 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 18 A 8.41 4.09 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 19 K 8.63 4.27 0.00 1.77 1.87 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.40 7.81 20 R 7.88 3.67 0.00 1.89 1.92 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 21 L 8.68 4.84 0.00 1.89 1.62 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.68 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 0.00 0.00 0.00 23 V 7.97 3.96 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 1.17 0.00 0.00 0.93 0.00 0.00 24 K 8.93 4.22 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.51 7.81 25 R 7.60 4.36 0.00 1.69 1.79 0.00 3.15 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 26 Y 8.05 5.05 0.00 3.10 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.66 4.41 0.00 2.15 1.94 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 2.44 2.74 0.00 28 G 9.92 3.72 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 0.00 0.00 0.00 29 Q 7.54 4.51 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 30 V 8.62 3.99 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 0.84 0.00 0.00 0.94 0.00 0.00 31 V 8.71 4.58 2.28 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 0.71 0.00 0.00 0.98 0.00 0.00 32 R 8.51 4.84 0.00 1.71 1.88 0.00 3.31 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 33 A 8.48 4.06 1.31 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 0.00 0.00 34 G 8.86 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.72 0.00 2.99 2.96 0.00 0.00 7.01 7.47 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 36 I 8.38 4.20 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.98 0.00 0.00 37 L 9.14 4.69 0.00 1.59 1.56 0.83 0.64 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 38 V 7.54 4.69 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 0.83 0.00 0.00 0.66 0.00 0.00 39 R 9.21 5.04 0.00 1.77 1.84 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 40 Q 8.62 4.89 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 41 R 9.20 4.27 0.00 1.89 2.11 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 G 8.50 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 43 T 8.41 4.59 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 1.06 0.00 0.00 44 R 8.12 3.95 0.00 2.15 1.94 0.00 3.23 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 45 F 8.95 5.00 0.00 2.71 2.84 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 0.00 0.00 0.00 0.00 46 K 8.65 4.48 0.00 0.79 1.08 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 0.97 7.81 47 P 0.00 4.84 0.00 2.07 2.17 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 48 G 7.58 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 49 K 8.17 3.87 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.45 1.22 7.81 50 N 8.86 3.91 0.00 2.87 2.84 0.00 0.00 6.46 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 51 V 7.08 4.08 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 0.92 0.00 0.00 0.96 0.00 0.00 52 G 7.64 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 53 M 7.81 6.05 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 54 G 8.72 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 55 R 8.68 3.74 0.00 1.69 1.91 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 56 D 7.85 4.32 0.00 2.73 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 57 F 8.11 4.27 0.00 3.43 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 58 T 8.30 4.38 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 1.32 0.00 0.00 59 L 9.06 5.45 0.00 1.51 1.48 0.89 1.26 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 60 F 8.52 5.45 0.00 3.11 3.02 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 61 A 8.67 4.22 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 62 L 8.29 4.11 0.00 1.50 1.67 0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.41 4.48 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 0.71 0.00 0.00 0.92 0.00 0.00 64 D 7.64 5.36 0.00 2.79 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 65 G 8.69 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 0.00 0.00 0.00 66 V 7.58 4.93 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 1.16 0.00 0.00 0.95 0.00 0.00 67 V 8.23 4.79 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 0.74 0.00 0.00 0.91 0.00 0.00 68 E 9.46 5.26 0.00 2.08 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 0.00 2.39 2.39 0.00 69 F 9.86 5.18 0.00 2.97 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 70 Q 8.73 4.55 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 71 D 8.92 4.95 0.00 2.75 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 72 R 9.06 4.64 0.00 1.87 1.75 0.00 3.14 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.00 73 G 7.78 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.98 3.97 0.00 1.81 2.05 0.00 3.38 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 L 8.39 4.08 0.00 1.77 1.82 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.53 4.11 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 0.00 0.00 0.00 77 R 7.83 5.14 0.00 1.37 1.82 0.00 2.98 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 78 Y 9.22 5.15 0.00 2.83 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 79 V 7.93 4.63 1.80 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 -0.06 0.00 0.00 0.58 0.00 0.00 80 H 8.96 4.94 0.00 3.22 3.34 0.00 5.31 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.19 4.76 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 0.87 0.00 0.00 0.94 0.00 0.00 82 R 9.16 4.47 0.00 1.87 2.23 0.00 2.85 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 83 P 0.00 4.65 0.00 2.09 2.12 0.00 3.76 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 1.96 0.00 84 L 7.71 4.30 0.00 1.69 1.62 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.54 4.08 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