NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8832 8.3544 109.7335 45.0965 0.0000 174.7272 2 S 3.8577 9.5272 114.3699 60.5911 63.1845 173.5107 3 S 3.5403 9.1603 111.8542 59.0009 61.5442 172.2150 4 G 4.1305 9.1567 101.9065 45.8770 0.0000 172.6413 5 S 4.5056 7.9307 112.6620 56.9794 65.5514 173.1932 6 S 4.5957 8.2743 119.3137 57.1072 64.0349 174.0061 7 G 4.2069 7.7904 109.3777 45.5876 0.0000 172.9187 8 N 4.4995 9.1673 123.5887 56.1004 39.2762 176.7137 9 Q 4.6668 7.7077 114.0343 55.6966 29.1036 174.7549 10 L 4.6947 7.8631 116.8383 53.8189 43.6599 176.5296 11 W 4.3495 8.9111 120.9232 57.6443 29.6813 175.7520 12 T 4.7362 7.9592 112.4112 59.9593 70.4269 174.9234 13 V 3.7564 8.2860 127.8784 65.1884 31.3368 178.0778 14 E 3.9908 8.3896 119.0699 59.2850 29.3468 179.3026 15 E 4.1029 8.2927 117.4146 59.9839 29.7912 178.9804 16 Q 4.1955 8.8406 118.6034 59.3037 28.7348 180.0551 17 K 4.0107 8.4307 119.4431 60.0082 32.5508 178.6367 18 K 3.8983 7.8921 120.9260 59.3005 32.1468 177.9325 19 L 4.0947 8.8592 120.5851 58.7487 41.7784 178.8605 20 E 4.0320 8.0853 117.1814 59.8373 29.7382 179.6043 21 Q 4.1660 8.0819 117.4135 59.0674 28.9075 178.4560 22 L 4.1327 8.2460 119.8638 58.2447 41.5209 179.6200 23 L 4.2235 8.4663 118.1021 58.1560 41.7341 179.5157 24 I 3.9400 7.7684 118.1269 64.4055 37.2004 178.1128 25 K 4.1836 8.1549 118.5078 58.1128 32.5461 176.3120 26 Y 4.5146 8.2319 118.0278 54.5340 38.1422 173.6126 27 P 4.5634 0.0000 0.0000 61.0652 32.5438 174.6817 28 P 4.3477 0.0000 0.0000 62.9134 31.7928 174.6378 29 E 4.5922 7.9047 116.0084 55.1409 32.1607 174.7679 30 E 3.9336 8.8716 116.5384 58.9174 29.4006 177.3799 31 V 4.1157 7.4255 120.5264 60.6543 32.6833 175.7621 32 E 3.4540 8.5539 128.1427 58.7335 29.5198 178.6171 33 S 4.1967 7.8607 115.3278 61.6119 63.1677 176.3806 34 R 3.8717 7.8983 118.1876 59.3351 28.7090 178.4237 35 R 3.5708 7.0723 118.6321 59.1101 29.9752 178.4825 36 W 4.5408 6.9510 118.0706 59.8674 29.0127 178.1186 37 Q 4.0076 8.1181 119.5021 59.2167 28.1747 178.7498 38 K 3.7684 7.4517 117.6103 59.4201 32.3716 178.8771 39 I 3.5299 6.8847 119.4378 64.3891 37.0456 177.9911 40 A 3.9943 8.2963 121.7447 55.5487 17.9328 178.8358 41 D 4.3004 7.7702 114.7953 57.8042 41.2238 178.4107 42 E 4.1582 7.8596 117.4595 59.4348 29.6130 178.7824 43 L 4.1420 7.8746 117.2409 57.1736 41.7866 177.3143 44 G 4.3233 8.3290 107.5696 45.6286 0.0000 174.2443 45 N 4.3585 7.8364 116.3573 55.8122 39.3209 175.5439 46 R 4.1481 7.4884 114.9088 55.8590 31.2113 175.9338 47 T 4.7227 7.8033 108.3261 59.1988 73.0421 174.6231 48 A 4.1823 8.4457 123.7857 56.0368 18.4956 179.7574 49 K 3.7962 8.2577 116.0499 59.5632 32.0539 179.0286 50 Q 4.0028 7.9680 116.3098 59.5744 28.8709 180.3229 51 V 3.6137 8.4155 119.0806 65.6381 31.3396 177.7653 52 A 2.5800 7.5252 119.9026 54.8466 18.3209 179.3165 53 S 4.0176 7.7178 113.2532 61.7091 62.7768 176.7036 54 Q 3.4428 7.3993 121.6639 59.0978 28.5079 178.5106 55 V 3.3918 7.0110 118.9236 66.0512 31.4310 177.7715 56 Q 4.0234 7.4728 117.3872 58.9900 28.3455 178.6200 57 K 4.4733 7.3582 116.3511 56.8743 32.3320 177.1099 58 Y 4.5394 8.2635 119.0726 58.7649 40.2720 176.7411 59 F 4.5765 8.6131 116.0368 59.1270 40.7245 177.2465 60 I 3.9649 7.9089 121.0403 63.9910 37.0933 176.5374 61 K 4.8640 7.8505 120.5486 56.9474 32.2575 177.3225 62 L 4.5868 7.7482 116.6228 55.6585 45.2083 178.1995 63 T 4.0930 7.5653 113.7116 64.1397 64.4981 173.8682 64 K 3.8776 8.8467 123.0151 57.8767 31.5652 173.6204 65 A 3.8001 7.9625 116.2629 52.7737 16.1252 178.4714 66 G 3.8639 8.5475 110.3534 47.3042 0.0000 174.8158 67 I 4.0814 7.5051 120.3647 59.4964 38.0352 173.7068 68 P 4.3879 0.0000 0.0000 62.8593 31.4971 176.2124 69 V 4.1149 8.3801 122.7272 62.3677 32.8605 175.4543 70 S 4.7341 7.6710 112.1483 56.6466 66.5237 173.0363 71 G 4.0547 8.6440 110.5867 45.6830 0.0000 172.4756 72 P 4.3404 0.0000 0.0000 62.6215 30.9984 176.0132 73 S 4.5805 7.9437 117.8286 57.5490 65.7698 171.6445 74 S 4.3737 8.3943 115.5072 57.8104 64.8764 174.3267 75 G 4.0244 8.6995 110.0627 45.6626 0.0000 173.3533 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 8.35 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 2 S 9.53 3.86 0.00 3.88 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 3 S 9.16 3.54 0.00 4.10 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 4 G 9.16 4.13 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 0.00 5 S 7.93 4.51 0.00 3.78 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 6 S 8.27 4.60 0.00 3.91 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 7 G 7.79 4.21 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 0.00 8 N 9.17 4.50 0.00 2.71 2.87 0.00 0.00 6.87 7.08 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 9 Q 7.71 4.67 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 10 L 7.86 4.69 0.00 1.73 1.75 0.96 1.06 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 11 W 8.91 4.35 0.00 3.27 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 12 T 7.96 4.74 4.25 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 1.27 0.00 0.00 13 V 8.29 3.76 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 0.85 0.00 0.00 0.97 0.00 0.00 14 E 8.39 3.99 0.00 2.05 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 2.43 2.45 0.00 15 E 8.29 4.10 0.00 2.27 1.99 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 2.22 2.28 0.00 16 Q 8.84 4.20 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 17 K 8.43 4.01 0.00 2.05 2.13 0.00 1.37 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.52 7.81 18 K 7.89 3.90 0.00 2.11 2.13 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.55 7.81 19 L 8.86 4.09 0.00 2.04 1.99 1.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.09 4.03 0.00 2.29 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 2.39 2.61 0.00 21 Q 8.08 4.17 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 22 L 8.25 4.13 0.00 2.04 2.05 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.47 4.22 0.00 2.02 2.06 1.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.77 3.94 2.03 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 1.47 0.70 0.94 0.00 0.00 25 K 8.15 4.18 0.00 1.70 1.93 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.32 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.89 1.34 7.81 26 Y 8.23 4.51 0.00 3.13 2.86 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 27 P 0.00 4.56 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 28 P 0.00 4.35 0.00 2.15 2.04 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 29 E 7.90 4.59 0.00 1.98 1.89 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 2.22 2.11 0.00 30 E 8.87 3.93 0.00 2.06 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 0.00 2.24 2.27 0.00 31 V 7.43 4.12 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 0.91 0.00 0.00 0.89 0.00 0.00 32 E 8.55 3.45 0.00 2.00 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 1.95 2.14 0.00 33 S 7.86 4.20 0.00 3.89 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 34 R 7.90 3.87 0.00 1.97 2.14 0.00 2.92 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 35 R 7.07 3.57 0.00 1.82 1.09 0.00 2.76 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.32 0.00 36 W 6.95 4.54 0.00 3.36 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 37 Q 8.12 4.01 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 38 K 7.45 3.77 0.00 1.35 1.17 0.00 2.04 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.57 7.81 39 I 6.88 3.53 2.03 0.00 0.00 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 1.55 -0.04 1.04 0.00 0.00 40 A 8.30 3.99 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 41 D 7.77 4.30 0.00 2.85 2.86 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 42 E 7.86 4.16 0.00 2.32 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 0.00 2.51 2.73 0.00 43 L 7.87 4.14 0.00 1.81 1.70 1.09 1.00 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 44 G 8.33 4.32 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 0.00 45 N 7.84 4.36 0.00 2.60 2.80 0.00 0.00 6.92 7.57 0.00 0.00 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 7.49 4.15 0.00 1.72 1.84 0.00 3.33 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 47 T 7.80 4.72 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 1.19 0.00 0.00 48 A 8.45 4.18 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 0.00 0.00 0.00 0.00 0.00 49 K 8.26 3.80 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.49 7.81 50 Q 7.97 4.00 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 51 V 8.42 3.61 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 1.10 0.00 0.00 1.16 0.00 0.00 52 A 7.53 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.72 4.02 0.00 3.79 3.84 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 54 Q 7.40 3.44 0.00 1.67 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.41 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 55 V 7.01 3.39 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.06 0.00 0.00 56 Q 7.47 4.02 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 57 K 7.36 4.47 0.00 1.75 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 58 Y 8.26 4.54 0.00 3.13 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 59 F 8.61 4.58 0.00 2.96 3.17 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 60 I 7.91 3.96 2.09 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 1.24 0.97 0.94 0.00 0.00 61 K 7.85 4.86 0.00 1.74 1.90 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 62 L 7.75 4.59 0.00 1.77 1.58 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.57 4.09 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 1.27 0.00 0.00 64 K 8.85 3.88 0.00 1.82 1.89 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 65 A 7.96 3.80 1.29 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 0.00 0.00 66 G 8.55 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 67 I 7.51 4.08 1.89 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 1.48 0.61 0.92 0.00 0.00 68 P 0.00 4.39 0.00 2.18 2.08 0.00 3.75 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 1.99 1.95 0.00 69 V 8.38 4.11 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 0.82 0.00 0.00 0.93 0.00 0.00 70 S 7.67 4.73 0.00 3.79 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 71 G 8.64 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 0.00 0.00 0.00 72 P 0.00 4.34 0.00 2.19 2.13 0.00 3.73 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 1.98 1.95 0.00 73 S 7.94 4.58 0.00 3.78 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 74 S 8.39 4.37 0.00 3.83 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 75 G 8.70 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