NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4062 8.3049 120.3488 55.2339 33.7723 174.5802 2 K 4.3383 8.5070 124.1007 54.0223 33.8978 176.3510 3 L 3.9676 8.6705 123.8629 58.2223 42.8673 178.9219 4 K 3.8743 8.1316 119.1103 59.7796 32.0131 178.5823 5 Q 4.0439 7.9362 117.8531 58.6226 28.5726 178.7959 6 V 3.5345 7.7515 118.7070 65.9737 31.6419 177.6742 7 A 4.0105 8.1309 120.5465 55.3369 18.1889 179.2717 8 D 4.2905 8.5155 117.7192 57.4194 40.8736 178.9388 9 K 3.9425 8.0013 120.0521 59.5874 32.1515 178.8536 10 L 3.9862 8.1093 119.2769 57.5674 41.4276 179.0127 11 E 3.9413 8.4452 119.5762 59.3026 29.5971 178.5157 12 E 3.9237 8.3002 119.2762 59.3279 29.6968 178.9478 13 V 3.5769 8.0463 118.1393 65.9208 31.5050 177.8367 14 A 3.8524 8.2241 120.6723 55.0058 18.1041 179.4819 15 S 4.2730 8.2869 111.7669 61.7202 62.4543 176.4700 16 K 3.9393 8.1797 121.0579 59.5894 31.6614 179.3511 17 L 3.9754 7.8581 119.1461 57.8872 41.5738 178.9447 18 Y 4.2166 8.1106 117.1189 61.3981 37.7612 178.3688 19 H 4.1524 8.6777 119.2754 59.4479 29.9789 177.1295 20 N 4.4925 8.6889 118.5163 56.1512 38.3098 177.2964 21 A 3.9670 8.3178 122.5703 55.1223 18.4427 179.1917 22 N 4.2501 8.1625 115.5706 56.8627 39.0113 176.9031 23 E 3.9220 8.2744 120.0380 59.4959 29.4904 179.4404 24 L 3.9798 8.2168 118.9043 57.5825 41.6761 179.3006 25 A 3.9833 8.1380 120.7995 55.2440 18.2637 179.9246 26 R 3.8572 8.1846 116.5971 59.3597 30.0778 179.4662 27 V 3.5449 7.9780 117.8273 65.9652 31.4729 177.7607 28 A 3.9713 8.1983 120.6728 55.0160 18.1554 179.4758 29 K 3.8226 8.1104 117.9665 59.5716 32.0975 178.4870 30 L 3.9259 7.7571 119.1871 58.5450 42.0265 178.8076 31 L 4.2670 8.1597 117.6997 57.4629 41.6453 179.3830 32 G 3.7091 8.3246 105.4707 47.1320 0.0000 173.6085 33 E 4.2910 7.9518 125.3735 56.4044 29.8501 175.7157 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 M 8.30 4.41 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.51 4.34 0.00 1.99 1.69 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.58 7.81 3 L 8.67 3.97 0.00 1.75 1.66 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.13 3.87 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 5 Q 7.94 4.04 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 6 V 7.75 3.53 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 1.05 0.00 0.00 0.93 0.00 0.00 7 A 8.13 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.29 0.00 2.88 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 9 K 8.00 3.94 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 10 L 8.11 3.99 0.00 1.91 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.45 3.94 0.00 2.23 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 0.00 2.33 2.41 0.00 12 E 8.30 3.92 0.00 2.06 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 0.00 2.32 2.47 0.00 13 V 8.05 3.58 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 0.93 0.00 0.00 0.97 0.00 0.00 14 A 8.22 3.85 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 15 S 8.29 4.27 0.00 4.18 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 16 K 8.18 3.94 0.00 2.02 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.73 7.81 17 L 7.86 3.98 0.00 1.63 1.54 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.11 4.22 0.00 3.17 2.94 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 0.00 0.00 0.00 0.00 19 H 8.68 4.15 0.00 3.40 3.49 0.00 5.78 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 20 N 8.69 4.49 0.00 2.84 2.86 0.00 0.00 6.95 6.73 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 21 A 8.32 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 22 N 8.16 4.25 0.00 2.87 2.91 0.00 0.00 7.26 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 23 E 8.27 3.92 0.00 2.19 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 2.27 2.40 0.00 24 L 8.22 3.98 0.00 1.68 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.14 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.86 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 27 V 7.98 3.54 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 1.10 0.00 0.00 0.93 0.00 0.00 28 A 8.20 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.82 0.00 1.98 1.96 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 L 7.76 3.93 0.00 1.90 1.85 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.16 4.27 0.00 1.64 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.32 3.71 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 0.00 0.00 0.00 33 E 7.95 4.29 0.00 2.10 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 2.30 2.31 0.00