NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.1409 0.0000 0.0000 62.5217 32.1362 177.3343 7 D 4.3995 8.3469 128.5961 53.4883 42.0707 173.7231 8 Y 4.7797 8.9889 124.5521 57.6675 39.4632 175.4688 9 T 3.8775 8.3618 117.3225 64.4223 68.9419 173.2119 10 S 4.3691 8.3987 119.4492 56.4028 65.7661 172.7022 11 F 5.1822 7.4235 118.0194 56.0356 40.2092 173.6905 12 N 5.0056 10.1037 120.1017 53.7280 40.4331 175.0140 13 T 4.8409 7.7595 107.5478 58.9011 73.4453 174.6931 14 V 3.4362 7.9329 119.4819 65.9804 31.4145 177.3806 15 D 4.3676 8.1088 118.1833 57.6995 40.8168 178.6647 16 E 4.2895 8.3964 118.7558 58.9768 29.4361 179.3530 17 W 3.6022 8.2099 128.4803 60.1890 30.6850 178.1054 18 L 3.1567 8.1705 119.2597 57.5631 40.9298 179.4431 19 E 3.6670 8.0955 118.3475 59.2189 29.1670 179.1511 20 A 4.0782 7.8000 120.2176 54.2830 18.3920 178.6272 21 I 4.0966 6.8562 109.2602 60.0121 38.2038 175.7300 22 K 3.8196 7.7700 117.1121 58.6623 29.9323 175.7590 23 M 4.6347 8.4058 117.2760 54.8400 32.9131 178.4704 24 G 3.5910 8.0182 110.5091 48.1560 0.0000 176.2123 25 Q 3.9201 7.6918 116.5763 58.2884 28.8618 176.8476 26 Y 4.7248 7.7498 116.2483 57.8159 38.1154 177.1404 27 K 3.9129 7.8577 121.9860 59.7778 32.1520 178.7638 28 E 4.0612 8.2043 118.8629 59.3349 29.5030 178.8003 29 S 4.2455 8.2567 114.9155 61.4942 62.9925 176.5082 30 F 4.1494 8.9497 120.4686 60.7048 38.7518 177.6589 31 A 4.1429 8.3485 120.3914 55.2980 17.9430 179.4498 32 N 4.4024 8.4823 114.1294 55.7218 38.6851 176.4931 33 A 4.3588 7.6671 120.0679 51.8605 19.1329 177.9881 34 G 3.6795 7.8721 106.2627 45.2888 0.0000 175.1888 35 F 4.5375 7.5095 120.0901 56.1161 37.1808 175.4413 36 T 4.5710 7.8986 109.5250 60.8930 70.1536 175.5955 37 S 4.5508 7.4698 116.7504 56.0341 67.4978 174.7137 38 F 4.1148 8.2950 121.5055 60.4885 38.4781 177.4406 39 D 4.4424 8.2691 118.0255 57.5182 40.9345 178.7343 40 V 3.9985 7.6045 118.9311 64.2074 31.9822 178.4917 41 V 3.6343 8.0235 119.1424 65.6452 31.1094 177.8464 42 S 4.2667 8.2716 112.0757 60.1410 63.0174 174.6486 43 Q 4.4360 7.7665 118.7490 55.9352 29.3855 175.9305 44 M 4.1856 7.6363 118.2941 55.9082 32.6775 175.4096 45 M 4.6914 8.8790 121.3156 53.0896 35.4935 176.5210 46 M 3.9016 8.6480 118.2333 59.2453 31.9620 177.4468 47 E 3.8888 8.1824 118.5815 59.5118 29.7236 178.5379 48 D 4.2555 7.9535 118.5635 57.3684 40.8243 178.5404 49 I 3.4140 7.5081 118.5916 63.9158 37.9011 177.7705 50 L 3.9427 8.0657 120.2980 57.6266 41.2208 179.5984 51 R 3.9384 7.6364 115.1796 59.2434 29.4740 178.5929 52 V 3.9726 7.5703 110.1568 61.5440 31.6650 176.8717 53 G 3.8842 7.9732 107.6701 45.2355 0.0000 174.4060 54 V 3.6744 7.5754 120.3190 62.0782 30.1449 175.3264 55 T 4.3087 8.1935 117.3518 62.5025 70.2824 176.2289 56 L 4.0810 7.8031 123.1574 54.1363 42.7075 177.2807 57 A 4.3223 8.8688 126.3767 55.5468 18.3639 179.7601 58 G 3.5925 8.0187 103.4805 48.1159 0.0000 175.5303 59 H 4.4265 8.0594 117.9651 58.6726 28.9370 177.5826 60 Q 4.0048 8.5914 120.3372 58.9033 28.4837 179.1277 61 K 4.0108 8.2521 119.5682 59.0350 32.1242 179.3529 62 K 3.9304 7.9962 119.8626 59.4885 32.1087 179.0371 63 I 3.6738 7.7402 119.9817 64.5091 37.2128 178.4487 64 L 4.0631 8.1172 119.8772 57.9212 41.4318 179.4203 65 N 4.4117 8.6287 116.9155 56.4689 38.5763 177.6884 66 S 4.3219 8.3380 116.6698 61.6166 62.8099 176.8233 67 I 3.8746 8.2474 122.8502 64.2893 36.8463 178.2305 68 Q 3.9722 8.1441 120.3730 59.2436 28.9011 178.5725 69 V 3.7940 7.9396 113.1990 63.8462 31.5110 178.2813 70 M 3.9555 7.8996 118.1715 58.7723 32.0384 178.2861 71 R 3.8818 8.2779 118.2321 59.3152 30.1256 178.9376 72 A 3.9704 7.9864 120.3986 55.1621 18.3760 179.4916 73 Q 3.9033 8.0824 118.1037 59.6618 29.1151 178.3814 74 M 4.0732 8.2996 119.9274 58.4324 31.7624 178.3690 75 N 4.4302 8.3057 115.6637 55.3607 38.7298 177.1132 76 Q 4.2130 7.6266 122.7298 58.5147 29.1264 177.4708 77 I 3.7425 7.5682 119.4419 64.8167 37.3274 177.6877 78 Q 4.2441 8.0110 114.9855 56.5512 28.6933 177.0073 79 S 4.4291 10.5480 122.7419 58.9963 62.8484 173.9036 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 6 P 0.00 4.14 0.00 1.78 1.61 0.00 3.49 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 7 D 8.35 4.40 0.00 2.58 2.44 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 0.00 0.00 0.00 0.00 8 Y 8.99 4.78 0.00 3.07 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 9 T 8.36 3.88 4.34 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 1.41 0.00 0.00 10 S 8.40 4.37 0.00 3.85 3.63 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 11 F 7.42 5.18 0.00 3.35 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 12 N 10.10 5.01 0.00 2.90 2.99 0.00 0.00 6.73 8.20 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 13 T 7.76 4.84 4.27 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 1.28 0.00 0.00 14 V 7.93 3.44 2.02 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 1.36 0.00 0.00 0.33 0.00 0.00 15 D 8.11 4.37 0.00 2.77 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 16 E 8.40 4.29 0.00 2.41 2.23 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 2.43 2.42 0.00 17 W 8.21 3.60 0.00 2.81 3.37 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 18 L 8.17 3.16 0.00 1.63 1.54 0.30 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.10 3.67 0.00 2.17 1.96 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 2.28 2.47 0.00 20 A 7.80 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 21 I 6.86 4.10 1.60 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.23 0.49 0.00 0.00 22 K 7.77 3.82 0.00 1.83 1.86 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.48 7.81 23 M 8.41 4.63 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 24 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.69 3.92 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 26 Y 7.75 4.72 0.00 3.12 3.25 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 0.00 27 K 7.86 3.91 0.00 1.91 1.95 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.39 7.81 28 E 8.20 4.06 0.00 2.07 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 0.00 2.61 2.44 0.00 29 S 8.26 4.25 0.00 4.36 4.23 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 30 F 8.95 4.15 0.00 3.33 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 31 A 8.35 4.14 1.40 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 32 N 8.48 4.40 0.00 2.79 2.92 0.00 0.00 6.98 7.73 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 33 A 7.67 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 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 35 F 7.51 4.54 0.00 3.24 3.07 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 0.00 0.00 0.00 36 T 7.90 4.57 4.22 0.00 0.00 0.00 0.00 0.00 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 37 S 7.47 4.55 0.00 3.98 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 38 F 8.29 4.11 0.00 3.11 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 39 D 8.27 4.44 0.00 2.66 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 40 V 7.60 4.00 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 1.00 0.00 0.00 1.10 0.00 0.00 41 V 8.02 3.63 1.97 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 0.78 0.00 0.00 1.13 0.00 0.00 42 S 8.27 4.27 0.00 4.00 4.04 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 43 Q 7.77 4.44 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 44 M 7.64 4.19 0.00 1.76 1.96 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.66 0.00 45 M 8.88 4.69 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 46 M 8.65 3.90 0.00 2.10 2.06 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 2.65 2.67 0.00 47 E 8.18 3.89 0.00 2.05 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 2.37 2.40 0.00 48 D 7.95 4.26 0.00 2.65 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 0.00 0.00 0.00 0.00 49 I 7.51 3.41 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.93 0.00 0.00 50 L 8.07 3.94 0.00 1.86 1.67 0.90 0.65 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 51 R 7.64 3.94 0.00 1.99 2.26 0.00 3.09 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 52 V 7.57 3.97 2.02 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 0.58 0.00 0.00 0.60 0.00 0.00 53 G 7.97 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 54 V 7.58 3.67 1.96 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 0.61 0.00 0.00 0.21 0.00 0.00 55 T 8.19 4.31 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 1.22 0.00 0.00 56 L 7.80 4.08 0.00 1.58 1.52 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.87 4.32 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 58 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.43 0.00 3.39 3.42 0.00 5.65 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 60 Q 8.59 4.00 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 61 K 8.25 4.01 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 62 K 8.00 3.93 0.00 1.90 1.76 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.41 7.81 63 I 7.74 3.67 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 1.13 0.00 0.00 64 L 8.12 4.06 0.00 1.78 1.74 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.63 4.41 0.00 2.92 2.89 0.00 0.00 7.00 7.24 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 66 S 8.34 4.32 0.00 4.25 4.27 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 67 I 8.25 3.87 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.12 0.93 0.00 0.00 68 Q 8.14 3.97 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 69 V 7.94 3.79 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 0.72 0.00 0.00 1.05 0.00 0.00 70 M 7.90 3.96 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 71 R 8.28 3.88 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 72 A 7.99 3.97 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 73 Q 8.08 3.90 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 74 M 8.30 4.07 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 75 N 8.31 4.43 0.00 2.89 2.88 0.00 0.00 7.00 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.63 4.21 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 77 I 7.57 3.74 2.02 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 1.51 0.70 0.91 0.00 0.00 78 Q 8.01 4.24 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 79 S 10.55 4.43 0.00 3.92 3.79 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