NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9564 8.3393 109.7362 44.0474 0.0000 172.4459 2 S 4.3720 7.3776 113.8455 57.7589 65.2735 173.8664 3 S 4.4196 8.8229 122.6704 59.0706 68.5822 177.7415 4 G 3.7409 8.3395 109.4314 45.9514 0.0000 173.0277 5 S 4.1450 8.7110 120.5208 61.2942 63.4636 174.5934 6 S 4.0907 7.7603 116.1719 57.5740 62.5438 173.3072 7 G 4.0217 8.6185 117.0167 46.2666 0.0000 173.2169 8 A 4.3956 8.2984 126.4945 54.3469 20.3235 178.1896 9 Y 4.3055 7.7925 114.1718 61.0267 37.9400 178.5846 10 S 4.1534 8.3733 113.9109 61.5407 61.8666 175.7181 11 E 3.9417 8.3862 121.0971 59.6200 29.0679 179.0494 12 L 4.0622 7.6009 117.1677 58.2719 41.8468 179.2632 13 Q 4.2253 8.1540 115.4160 58.4287 30.1293 177.5773 14 M 4.7352 7.5026 116.1991 53.3371 31.8930 174.6633 15 L 4.2379 7.5624 119.2669 54.2380 43.0225 177.2011 16 S 4.5991 8.1597 113.9259 56.9221 64.5342 172.6948 17 P 4.4989 0.0000 0.0000 65.2207 30.9909 178.2678 18 S 4.3047 7.9430 113.7845 60.7582 63.3819 176.0565 19 E 3.9813 7.9940 121.6587 58.7690 29.4910 178.6569 20 R 3.8784 8.3594 119.1709 59.6686 30.1056 178.5674 21 Q 3.9804 7.6781 116.5336 59.0498 28.6788 178.0909 22 C 4.1443 7.7365 119.7332 63.2376 31.3826 175.3199 23 V 3.3125 8.2186 120.0004 65.3038 30.9074 177.5190 24 E 4.2322 8.7693 118.0484 60.6675 29.4350 179.3495 25 T 3.7427 8.4215 113.7320 67.5686 68.7058 175.9329 26 V 3.6611 8.0734 119.0973 66.4373 31.6049 178.5358 27 V 3.7790 8.3985 117.4258 66.4995 31.5194 177.3652 28 N 4.5957 8.8256 116.2677 56.2732 38.3450 177.2318 29 M 4.3231 8.1236 119.4221 56.3830 33.0402 176.6049 30 G 4.2787 7.7548 107.4573 46.6106 0.0000 171.3134 31 Y 4.7069 7.4788 113.9846 56.3091 42.4083 175.4894 32 S 4.7569 8.4803 116.3244 58.1750 64.6550 175.2164 33 Y 3.9003 8.6287 121.8473 60.5174 38.7828 176.7874 34 E 4.2965 8.3564 119.6925 60.1780 29.6702 177.8814 35 C 4.1103 8.3116 115.9257 62.6930 28.1048 175.8099 36 V 3.5427 7.7702 118.0122 66.5966 31.1756 177.9536 37 L 4.0717 8.7440 119.2640 58.1202 41.4227 179.3164 38 R 3.8253 8.5948 118.0471 59.6639 29.7262 178.1573 39 A 2.8230 8.4593 120.6855 55.2780 18.1587 179.1463 40 M 4.0317 8.4963 117.2452 58.8256 32.1013 178.3086 41 K 4.0756 7.8068 116.1709 58.1316 32.3541 178.8459 42 K 4.1189 7.6612 119.1840 58.9087 32.4415 178.8823 43 K 4.0983 8.8216 119.4633 56.6402 32.5213 177.7706 44 G 3.9189 8.7962 103.5774 44.2006 0.0000 176.6231 45 E 4.3175 8.3032 128.0903 54.6602 29.4306 174.1186 46 N 4.5134 8.2131 120.1522 51.6423 40.5509 174.8974 47 I 3.5348 7.7704 125.8077 64.4599 37.2869 176.9774 48 E 4.0848 8.1796 118.2692 59.8907 29.3318 179.4556 49 Q 3.9703 8.0413 116.8170 59.4049 28.9343 179.0175 50 I 3.7564 8.2113 120.7784 64.4527 37.0404 178.6220 51 L 3.8850 8.6189 120.8258 57.7061 41.2819 178.7352 52 D 4.3360 8.3376 117.0163 57.6662 40.9510 177.5587 53 Y 4.1336 8.5735 120.2496 60.7509 38.7655 177.1830 54 L 4.2261 8.7971 120.2528 58.0386 41.5727 179.1488 55 F 4.0581 8.8207 120.1758 61.6425 39.4553 176.9433 56 A 4.0342 7.4053 117.3994 55.9315 18.1174 179.1725 57 H 4.2473 7.5353 112.1751 58.2790 29.2928 176.4759 58 S 4.2479 8.1091 115.1706 58.6471 63.3046 173.9369 59 G 3.8093 7.9295 110.2427 43.2123 0.0000 172.2053 60 P 3.9527 0.0000 0.0000 62.6021 30.7954 177.0326 61 S 4.4243 8.0017 120.2606 57.4359 64.5147 172.7534 62 S 4.3112 8.3795 118.4252 59.4318 63.0225 175.3512 63 G 4.0284 8.8004 113.6601 45.5851 0.0000 172.1886 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 8.34 3.96 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 0.00 0.00 0.00 2 S 7.38 4.37 0.00 4.00 3.78 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 3 S 8.82 4.42 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.34 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 0.00 0.00 0.00 5 S 8.71 4.14 0.00 3.98 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 6 S 7.76 4.09 0.00 3.85 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 8.62 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 8 A 8.30 4.40 1.16 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 0.00 0.00 9 Y 7.79 4.31 0.00 3.02 2.93 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 10 S 8.37 4.15 0.00 3.93 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 11 E 8.39 3.94 0.00 2.26 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 2.35 2.39 0.00 12 L 7.60 4.06 0.00 1.83 1.86 1.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.15 4.23 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.34 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 14 M 7.50 4.74 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 15 L 7.56 4.24 0.00 1.68 1.69 1.03 1.06 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 16 S 8.16 4.60 0.00 4.10 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 17 P 0.00 4.50 0.00 2.30 2.29 0.00 3.74 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 2.07 2.02 0.00 18 S 7.94 4.30 0.00 4.05 4.14 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 19 E 7.99 3.98 0.00 2.03 2.01 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 2.37 2.34 0.00 20 R 8.36 3.88 0.00 1.96 1.97 0.00 3.23 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 21 Q 7.68 3.98 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 22 C 7.74 4.14 0.00 3.13 2.85 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 23 V 8.22 3.31 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 -0.08 0.00 0.00 0.83 0.00 0.00 24 E 8.77 4.23 0.00 2.10 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 2.42 2.60 0.00 25 T 8.42 3.74 4.50 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 1.18 0.00 0.00 26 V 8.07 3.66 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 0.41 0.00 0.00 0.82 0.00 0.00 27 V 8.40 3.78 2.15 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 1.20 0.00 0.00 0.52 0.00 0.00 28 N 8.83 4.60 0.00 3.08 2.88 0.00 0.00 7.06 7.97 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 29 M 8.12 4.32 0.00 2.27 2.47 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 30 G 7.75 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 0.00 0.00 0.00 0.00 31 Y 7.48 4.71 0.00 3.04 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 32 S 8.48 4.76 0.00 4.00 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 33 Y 8.63 3.90 0.00 3.10 2.95 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 34 E 8.36 4.30 0.00 2.15 2.01 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 2.44 2.47 0.00 35 C 8.31 4.11 0.00 3.13 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 36 V 7.77 3.54 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 0.95 0.00 0.00 0.92 0.00 0.00 37 L 8.74 4.07 0.00 1.89 1.76 1.21 0.85 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 R 8.59 3.83 0.00 2.03 1.97 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 39 A 8.46 2.82 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 40 M 8.50 4.03 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.78 0.00 41 K 7.81 4.08 0.00 1.86 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 42 K 7.66 4.12 0.00 1.25 1.61 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.46 7.81 43 K 8.82 4.10 0.00 1.50 1.81 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.65 7.81 44 G 8.80 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 45 E 8.30 4.32 0.00 1.91 1.87 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 2.17 2.21 0.00 46 N 8.21 4.51 0.00 2.66 2.64 0.00 0.00 7.03 8.24 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 47 I 7.77 3.53 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.84 0.00 0.00 48 E 8.18 4.08 0.00 2.14 2.01 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 2.38 2.41 0.00 49 Q 8.04 3.97 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 50 I 8.21 3.76 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.79 0.00 0.00 51 L 8.62 3.89 0.00 1.75 1.66 0.89 0.72 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 52 D 8.34 4.34 0.00 2.70 2.93 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 53 Y 8.57 4.13 0.00 3.04 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 54 L 8.80 4.23 0.00 2.03 2.02 0.49 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.82 4.06 0.00 3.12 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 56 A 7.41 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.54 4.25 0.00 3.19 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.11 4.25 0.00 4.03 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 59 G 7.93 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 60 P 0.00 3.95 0.00 2.13 1.96 0.00 3.65 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 61 S 8.00 4.42 0.00 3.77 3.78 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 62 S 8.38 4.31 0.00 4.03 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 63 G 8.80 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