NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9345 8.3549 109.7373 45.1976 0.0000 172.5828 2 S 4.0238 8.0283 117.9070 58.9618 63.7961 172.2681 3 S 4.4723 8.7497 121.0191 60.2712 64.9214 174.9384 4 G 3.8620 7.8361 107.0387 45.4080 0.0000 172.1376 5 S 4.7864 8.0535 113.3712 55.9032 64.9618 174.3889 6 S 4.2353 8.6702 119.5489 58.9013 63.7368 174.5013 7 G 4.2033 8.3708 115.7569 45.2542 0.0000 172.3474 8 Q 4.6649 8.2514 121.1747 53.4400 31.5333 175.2403 9 I 3.5311 8.1037 121.2908 62.1603 37.7921 175.8666 10 D 4.5614 8.3800 122.6347 52.1928 41.9634 176.8443 11 F 4.4520 8.1133 125.9745 60.9365 38.6606 176.9112 12 Q 3.8360 8.4051 118.4347 59.7444 28.2025 179.1184 13 V 3.7055 8.5975 119.3153 65.4730 31.3413 177.8535 14 L 3.9770 8.3302 120.5948 58.4041 42.0655 177.9568 15 H 4.3232 9.1408 119.4231 59.7817 29.8288 175.9699 16 D 4.4399 7.9044 118.6605 57.6573 40.3213 178.7818 17 L 4.2699 7.7559 118.4861 58.0996 41.8268 179.4144 18 R 4.3497 8.9676 119.0349 59.6932 29.7409 178.9673 19 Q 3.9197 7.9869 116.6103 59.0268 28.8722 178.6277 20 K 3.9930 7.4550 116.6762 57.9816 32.1261 177.6425 21 F 4.8509 9.4047 117.7030 55.1128 39.0682 173.7656 22 P 5.1595 0.0000 0.0000 64.7637 32.2648 178.7506 23 E 4.0574 8.2382 116.1432 58.7927 29.7323 177.7998 24 V 3.6334 7.0120 116.8963 61.8609 32.1552 174.0448 25 P 4.4133 0.0000 0.0000 62.2694 32.1816 176.2912 26 E 3.8591 9.0211 124.3096 59.5293 29.3621 178.9555 27 V 3.5206 7.8587 118.3375 65.1653 30.9075 178.3323 28 V 3.5659 7.5024 117.0462 65.4834 31.8492 177.3654 29 V 3.5802 7.7455 118.3008 66.4242 31.1807 177.3212 30 S 4.0152 8.7046 112.7912 61.9414 61.9180 176.1067 31 R 3.7051 7.6081 120.6921 59.6695 29.8606 177.8383 32 C 4.1914 8.5013 118.6095 62.5648 31.6134 175.1430 33 M 3.9962 7.8864 119.6599 58.6490 31.4604 178.6548 34 L 3.4423 8.4325 117.4881 57.4565 41.7740 178.9090 35 Q 4.3496 8.0172 117.0504 57.1168 29.1375 176.5657 36 N 4.8701 7.8053 115.2976 52.4061 39.6047 174.2287 37 N 4.0344 9.0367 114.4082 54.0313 36.3641 171.1925 38 N 4.1645 9.0171 121.9827 53.0057 35.5590 173.0878 39 N 5.0101 8.0797 119.2961 50.8771 42.0674 173.1290 40 L 4.2707 7.5874 121.3733 57.0384 42.1063 178.0023 41 D 4.5419 7.9092 116.4200 57.4891 41.5992 178.4076 42 A 3.6055 8.0297 120.7812 55.2667 17.9207 178.8982 43 C 4.0145 7.8063 116.3205 62.3185 31.9625 174.7173 44 C 3.9914 8.6747 121.3212 63.1238 31.0157 175.0919 45 A 4.1922 8.8589 122.5496 55.3477 17.8092 179.3395 46 V 3.5091 7.6772 113.8706 66.2804 31.4923 178.7542 47 L 3.5670 8.6647 119.4789 57.4053 40.9799 179.2805 48 S 4.3879 8.8225 114.5924 61.5453 62.1647 176.2486 49 Q 3.9558 8.2974 119.4959 59.0051 28.8307 177.9057 50 E 4.1499 8.8926 121.0225 59.5393 29.5422 178.9964 51 S 4.0654 8.7145 115.9917 62.4895 62.9452 176.9473 52 T 4.1283 7.7503 117.4850 67.0577 68.1732 176.5095 53 R 4.2896 8.5589 120.5199 58.6270 30.3253 177.5286 54 Y 4.3986 8.1897 113.3152 58.7124 40.2165 175.7575 55 L 4.4599 8.4559 117.2343 54.6753 40.1249 178.1340 56 Y 4.0590 9.3487 127.3462 60.3433 38.1997 177.6292 57 G 4.1566 8.5816 105.1737 46.2554 0.0000 172.4350 58 E 3.9240 8.6659 121.7384 54.9542 28.9896 172.3261 59 G 3.8482 9.7783 109.3280 45.5098 0.0000 174.1258 60 D 4.3057 8.3055 126.6493 54.0164 40.0638 173.3074 61 L 4.5740 8.0382 116.0033 55.5900 40.7058 176.1415 62 N 4.2031 7.7475 116.4268 53.2945 39.1667 174.4624 63 F 4.8018 8.1301 121.3051 56.6053 40.1354 176.0745 64 S 4.4111 8.5924 119.9200 57.7454 63.9237 173.1953 65 D 4.8928 8.2171 125.6743 51.4700 40.8766 175.2436 66 D 4.4022 8.2010 119.5080 53.4251 43.9638 174.8963 67 S 4.5756 8.8708 120.9269 56.1501 64.5742 173.8631 68 G 4.7857 7.5747 120.2605 45.8325 0.0000 171.8625 69 I 4.5879 8.1154 125.9767 59.3295 40.4320 175.1805 70 S 4.4966 8.7351 118.7934 56.9376 64.6811 174.0195 71 G 4.1276 8.4167 117.6585 43.1021 0.0000 170.1409 72 P 4.1007 0.0000 0.0000 65.7125 32.1190 176.2056 73 S 3.4589 8.1666 120.9137 57.4385 60.3137 172.0270 74 S 4.1797 8.5556 119.0109 58.1851 62.8028 174.4411 75 G 3.4320 8.7176 111.6859 45.2349 0.0000 173.2753 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 3.93 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 0.00 0.00 0.00 2 S 8.03 4.02 0.00 3.96 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 3 S 8.75 4.47 0.00 3.84 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 4 G 7.84 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 5 S 8.05 4.79 0.00 3.96 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 6 S 8.67 4.24 0.00 3.88 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 7 G 8.37 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 0.00 0.00 0.00 0.00 8 Q 8.25 4.66 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 9 I 8.10 3.53 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 1.17 0.00 0.00 10 D 8.38 4.56 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.45 0.00 3.03 2.97 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 12 Q 8.41 3.84 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 13 V 8.60 3.71 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 0.91 0.00 0.00 1.02 0.00 0.00 14 L 8.33 3.98 0.00 1.85 2.03 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.14 4.32 0.00 3.33 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.90 4.44 0.00 2.96 2.91 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 17 L 7.76 4.27 0.00 1.95 1.79 0.95 0.93 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 18 R 8.97 4.35 0.00 1.78 1.96 0.00 3.08 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 19 Q 7.99 3.92 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 20 K 7.45 3.99 0.00 1.93 1.22 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.43 7.81 21 F 9.40 4.85 0.00 3.01 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 22 P 0.00 5.16 0.00 2.17 2.22 0.00 3.34 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 23 E 8.24 4.06 0.00 2.11 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 0.00 2.32 2.34 0.00 24 V 7.01 3.63 2.30 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 0.71 0.00 0.00 1.02 0.00 0.00 25 P 0.00 4.41 0.00 2.32 2.20 0.00 3.67 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 2.09 2.08 0.00 26 E 9.02 3.86 0.00 1.99 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 2.37 2.32 0.00 27 V 7.86 3.52 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 0.86 0.00 0.00 0.95 0.00 0.00 28 V 7.50 3.57 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 0.55 0.00 0.00 1.05 0.00 0.00 29 V 7.75 3.58 2.17 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 0.95 0.00 0.00 0.87 0.00 0.00 30 S 8.70 4.02 0.00 3.91 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 31 R 7.61 3.71 0.00 1.84 2.03 0.00 3.48 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 32 C 8.50 4.19 0.00 2.85 2.91 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 33 M 7.89 4.00 0.00 2.07 2.23 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 2.69 2.56 0.00 34 L 8.43 3.44 0.00 1.68 1.76 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.02 4.35 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.42 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 36 N 7.81 4.87 0.00 2.66 2.80 0.00 0.00 7.02 7.96 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 37 N 9.04 4.03 0.00 2.80 2.86 0.00 0.00 7.18 8.21 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 38 N 9.02 4.16 0.00 2.77 2.93 0.00 0.00 6.53 7.87 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 39 N 8.08 5.01 0.00 2.75 2.62 0.00 0.00 7.34 7.78 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 40 L 7.59 4.27 0.00 1.76 1.52 1.04 1.16 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 41 D 7.91 4.54 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 42 A 8.03 3.61 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 43 C 7.81 4.01 0.00 3.05 2.92 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 44 C 8.67 3.99 0.00 3.12 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 45 A 8.86 4.19 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 46 V 7.68 3.51 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 1.05 0.00 0.00 0.92 0.00 0.00 47 L 8.66 3.57 0.00 0.64 0.13 0.36 0.30 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 48 S 8.82 4.39 0.00 4.11 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 49 Q 8.30 3.96 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 50 E 8.89 4.15 0.00 1.89 1.83 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 2.37 2.38 0.00 51 S 8.71 4.07 0.00 3.94 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 52 T 7.75 4.13 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 1.30 0.00 0.00 53 R 8.56 4.29 0.00 2.11 2.25 0.00 3.25 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 54 Y 8.19 4.40 0.00 3.10 3.04 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 55 L 8.46 4.46 0.00 1.82 0.91 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.35 4.06 0.00 2.96 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 57 G 8.58 4.16 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 0.00 58 E 8.67 3.92 0.00 2.25 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 2.30 2.31 0.00 59 G 9.78 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 0.00 0.00 0.00 60 D 8.31 4.31 0.00 2.80 2.72 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 61 L 8.04 4.57 0.00 1.49 1.59 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.75 4.20 0.00 2.66 2.73 0.00 0.00 7.02 7.41 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 63 F 8.13 4.80 0.00 3.05 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 64 S 8.59 4.41 0.00 4.04 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 65 D 8.22 4.89 0.00 2.77 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 66 D 8.20 4.40 0.00 2.66 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 67 S 8.87 4.58 0.00 4.01 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 68 G 7.57 4.79 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 0.00 0.00 0.00 69 I 8.12 4.59 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 1.30 0.60 0.92 0.00 0.00 70 S 8.74 4.50 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 71 G 8.42 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 72 P 0.00 4.10 0.00 2.19 2.18 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 73 S 8.17 3.46 0.00 4.02 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 74 S 8.56 4.18 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.43 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 0.00