NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4377 8.1476 120.3491 55.4355 33.4404 175.9186 3 K 4.0474 8.4516 125.3323 57.8631 33.1896 177.0900 4 Q 3.9287 8.9575 122.2960 59.4098 29.3178 179.7317 5 I 3.7592 7.6044 120.0297 64.1091 37.3438 177.5137 6 E 3.9070 7.9799 119.6671 59.6677 29.2385 178.3693 7 D 4.4110 8.3014 118.9987 57.7201 40.9088 179.3804 8 K 3.9667 7.9165 119.1263 59.1772 32.2379 178.8051 9 A 3.9588 7.9345 120.7967 55.2952 18.4653 179.0925 10 E 3.9185 8.4535 117.5472 60.0099 29.5865 179.4916 11 E 4.0530 7.8794 118.7108 59.0134 29.7478 178.2657 12 I 3.6641 8.2329 120.3731 64.6112 37.1689 177.8208 13 L 3.9202 8.1460 120.6398 58.4397 41.9201 179.2427 14 S 4.2544 8.0963 112.5011 61.2257 62.2856 176.1045 15 K 3.9756 8.2165 121.2484 59.6271 31.8353 179.0534 16 L 3.9305 7.8453 118.9334 58.1805 41.6033 179.0888 17 Y 4.2195 8.6160 116.8892 61.4887 37.6962 178.4808 18 H 4.2766 8.5163 119.0083 59.3389 30.0071 177.1488 19 I 3.7725 7.9571 121.7420 64.7850 36.9442 178.2478 20 E 4.0127 8.2303 119.1411 59.3053 29.3615 179.1288 21 N 4.3613 8.1145 116.2090 56.2425 38.5991 177.0247 22 E 3.9329 8.2709 120.1723 59.7392 29.5658 179.6420 23 L 4.0319 7.9964 118.4058 57.3621 41.5600 179.2355 24 A 4.0193 8.0533 121.0653 55.1732 18.2289 179.9027 25 R 3.8365 7.9049 116.0673 59.4394 30.3280 179.0852 26 I 3.6816 7.7752 119.5204 64.5166 37.1747 178.5914 27 K 3.9643 8.3951 119.3224 59.5686 31.7806 179.0390 28 K 3.7940 7.8136 118.1962 59.8699 31.8537 179.0281 29 L 3.4284 8.1626 119.1585 57.3732 41.7129 178.7658 30 L 4.5578 7.5338 116.5794 52.9139 42.4954 176.3767 31 G 4.0189 8.7647 108.2358 46.5167 0.0000 173.6908 32 E 4.1916 8.5196 122.1165 56.2873 29.5525 176.9339 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 2 M 8.15 4.44 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 3 K 8.45 4.05 0.00 2.10 2.04 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 4 Q 8.96 3.93 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 5 I 7.60 3.76 2.00 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 1.52 0.98 0.91 0.00 0.00 6 E 7.98 3.91 0.00 2.06 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 2.32 2.37 0.00 7 D 8.30 4.41 0.00 2.96 2.75 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 8 K 7.92 3.97 0.00 2.00 1.96 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 A 7.93 3.96 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 10 E 8.45 3.92 0.00 2.13 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 0.00 2.37 2.46 0.00 11 E 7.88 4.05 0.00 2.03 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 0.00 2.31 2.35 0.00 12 I 8.23 3.66 2.01 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 1.41 0.82 0.91 0.00 0.00 13 L 8.15 3.92 0.00 1.89 1.92 0.78 0.77 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 14 S 8.10 4.25 0.00 4.02 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 15 K 8.22 3.98 0.00 1.95 1.89 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.66 7.81 16 L 7.85 3.93 0.00 1.77 1.58 0.86 0.85 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 17 Y 8.62 4.22 0.00 3.17 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 18 H 8.52 4.28 0.00 3.26 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.96 3.77 1.98 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 1.51 0.46 0.88 0.00 0.00 20 E 8.23 4.01 0.00 2.28 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 0.00 2.30 2.28 0.00 21 N 8.11 4.36 0.00 2.99 2.88 0.00 0.00 6.96 7.71 0.00 0.00 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 E 8.27 3.93 0.00 2.11 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 0.00 2.25 2.29 0.00 23 L 8.00 4.03 0.00 1.86 1.70 0.90 1.03 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 24 A 8.05 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.84 0.00 2.11 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 26 I 7.78 3.68 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.91 0.00 0.00 27 K 8.40 3.96 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.48 7.81 28 K 7.81 3.79 0.00 1.94 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.78 7.81 29 L 8.16 3.43 0.00 1.74 1.77 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.53 4.56 0.00 1.82 1.68 0.92 0.71 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 31 G 8.76 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 32 E 8.52 4.19 0.00 2.08 1.86 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 2.30 2.24 0.00