NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4066 8.3349 116.7952 58.6821 64.0102 174.0453 2 I 4.1384 7.4223 128.6008 58.3912 36.5239 174.5577 3 T 4.4674 7.9538 114.1488 60.2697 73.2703 175.3176 4 K 3.8880 8.5147 121.5203 59.9340 32.0175 179.1212 5 D 4.3164 8.0472 118.2504 57.7289 39.4362 178.6206 6 Q 4.0184 7.7673 118.0594 59.2798 28.6552 179.4608 7 I 4.0542 7.6907 120.6215 63.8442 36.9838 178.2866 8 I 3.7003 7.9691 121.2988 64.5924 36.8454 178.1950 9 E 4.0754 7.4658 114.4979 58.2751 29.4117 178.9683 10 A 4.1399 7.8852 121.8001 55.1274 18.4645 179.7772 11 V 3.6021 7.7884 114.1482 65.0152 31.7171 176.7378 12 A 4.4680 7.3454 118.5314 52.1914 18.9037 177.0847 13 A 4.3984 7.9716 121.9736 53.2547 20.5166 177.8164 14 M 4.4509 7.6628 114.5519 53.9128 34.0681 176.2484 15 S 4.4689 8.1194 115.0149 57.7819 65.4475 175.2969 16 V 3.5680 8.2235 121.6088 66.4687 31.2435 177.8966 17 M 4.0221 8.0283 117.8184 58.6834 31.7950 178.1946 18 D 4.3392 8.1086 117.2579 57.0061 41.3226 177.9616 19 V 3.7852 7.6459 118.5320 65.1502 31.5641 178.1993 20 V 3.5950 8.0662 118.7895 65.8400 31.3456 177.9331 21 E 3.9443 8.3555 118.4448 59.3974 29.3453 178.5589 22 L 3.9124 7.7028 120.0254 58.4597 41.9960 178.8097 23 I 3.7261 8.0723 119.2805 64.8816 37.1357 178.5982 24 S 4.1168 8.3219 115.4282 61.6412 62.6090 176.3302 25 A 3.9687 8.4177 123.8922 55.4348 18.1147 179.2336 26 M 4.1573 8.3126 116.1880 58.7907 32.1521 178.7507 27 E 4.0161 8.5067 118.6929 59.6201 29.7883 179.2650 28 E 3.9475 7.9411 118.4859 59.2668 29.6353 177.9271 29 K 3.7129 8.2761 118.4733 60.0263 32.2817 178.0875 30 F 4.3906 8.7588 117.6207 57.2426 40.2970 175.4477 31 G 4.0419 7.7421 107.0536 46.8650 0.0000 175.3843 32 V 4.4000 8.3122 116.7499 61.1367 31.7347 175.5903 33 S 4.4285 7.8665 117.1424 57.3208 62.7470 173.3140 34 A 3.4063 8.7633 128.6657 53.0970 15.2456 176.1428 35 A 3.4495 7.7698 124.2516 50.5872 15.9933 176.5609 36 A 3.8181 8.3593 121.5301 53.5508 18.7289 177.6261 37 A 4.3445 8.5727 124.7201 52.3695 19.3463 176.0879 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 S 8.33 4.41 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 2 I 7.42 4.14 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.92 0.00 0.00 3 T 7.95 4.47 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 1.21 0.00 0.00 4 K 8.51 3.89 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.54 7.81 5 D 8.05 4.32 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 6 Q 7.77 4.02 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 7 I 7.69 4.05 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.20 0.91 0.00 0.00 8 I 7.97 3.70 1.99 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 1.85 0.94 0.91 0.00 0.00 9 E 7.47 4.08 0.00 1.91 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 2.34 2.32 0.00 10 A 7.89 4.14 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 11 V 7.79 3.60 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 0.88 0.00 0.00 0.98 0.00 0.00 12 A 7.35 4.47 1.34 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 0.00 0.00 0.00 13 A 7.97 4.40 1.34 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 0.00 0.00 0.00 14 M 7.66 4.45 0.00 2.02 2.02 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 2.55 2.51 0.00 15 S 8.12 4.47 0.00 4.05 3.99 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 16 V 8.22 3.57 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 1.22 0.00 0.00 0.93 0.00 0.00 17 M 8.03 4.02 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 18 D 8.11 4.34 0.00 2.71 2.84 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 19 V 7.65 3.79 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 1.11 0.00 0.00 1.03 0.00 0.00 20 V 8.07 3.60 2.24 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 0.94 0.00 0.00 0.96 0.00 0.00 21 E 8.36 3.94 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 22 L 7.70 3.91 0.00 1.83 1.83 0.94 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.07 3.73 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 0.96 0.00 0.00 24 S 8.32 4.12 0.00 4.13 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 25 A 8.42 3.97 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 26 M 8.31 4.16 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.93 0.00 27 E 8.51 4.02 0.00 2.20 2.05 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 2.55 2.47 0.00 28 E 7.94 3.95 0.00 2.02 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 2.29 2.31 0.00 29 K 8.28 3.71 0.00 1.59 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.34 7.81 30 F 8.76 4.39 0.00 3.19 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 31 G 7.74 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 0.00 0.00 0.00 32 V 8.31 4.40 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 0.92 0.00 0.00 1.01 0.00 0.00 33 S 7.87 4.43 0.00 3.90 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 34 A 8.76 3.41 1.32 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 35 A 7.77 3.45 1.34 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 0.00 0.00 0.00 36 A 8.36 3.82 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 37 A 8.57 4.34 1.22 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 0.00 0.00 0.00