NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7091 8.2833 119.2064 53.1881 40.1787 174.8094 6 I 3.5351 8.4630 127.3434 63.5730 37.1556 176.3756 7 Q 3.8587 8.8560 121.2088 59.6403 29.2746 178.0542 8 D 4.1754 9.2946 120.3111 57.1131 40.7868 178.9209 9 Q 3.9727 7.9238 118.7005 58.7926 28.7490 178.1502 10 F 3.8505 8.2729 121.7123 61.4292 39.3915 177.2163 11 L 3.5834 7.8234 118.2095 57.5019 41.2240 178.7595 12 N 4.3772 8.1406 117.0345 57.0530 38.9059 176.6414 13 Q 3.9180 8.3169 119.7235 59.0867 28.7173 179.2211 14 I 3.5936 7.4821 113.7292 63.6787 37.5952 178.0253 15 R 4.0044 7.8628 120.9905 59.1217 29.8945 178.2440 16 K 4.1398 8.3257 117.8066 58.1225 32.2569 177.1845 17 E 4.5317 7.2305 115.6712 54.8732 31.0652 175.2711 18 N 4.0903 7.9743 114.4952 53.9926 36.9088 174.4803 19 T 4.0010 7.2283 113.5496 64.2344 69.3157 174.0084 20 Y 4.5302 8.6968 123.1681 57.8347 39.6573 174.8721 21 V 4.9766 8.8896 121.9287 60.4594 35.4883 174.1446 22 T 4.7197 8.7490 120.1550 62.2537 70.6037 173.7829 23 V 4.4473 8.7687 126.9313 61.1744 33.4649 174.3812 24 F 4.8741 8.9198 127.8203 56.7589 40.6588 175.7211 25 L 5.0787 8.7541 122.7666 52.9429 43.9635 177.7614 26 L 3.9381 8.7757 120.3801 57.2067 41.5313 178.2056 27 N 4.5023 8.1447 113.9930 52.1570 37.6087 175.2267 28 G 3.9936 8.2008 108.9395 45.7190 0.0000 174.6077 29 F 4.7097 7.4517 117.9305 58.0940 39.5390 173.7424 30 Q 4.9996 8.4610 122.5316 54.5238 32.3491 174.1687 31 L 4.9226 8.5802 122.8401 53.0179 46.3441 175.4048 32 R 4.9755 9.2895 120.9092 54.1028 33.4239 176.0097 33 G 4.0795 7.5264 110.0208 46.2743 0.0000 170.8304 34 Q 4.7787 7.7313 118.2635 53.8224 32.4589 175.3758 35 V 4.3658 8.2411 122.6532 62.7790 31.5809 175.8684 36 K 4.2944 9.4104 128.1765 56.2110 32.9238 177.2417 37 G 4.1522 7.5454 111.4472 45.7506 0.0000 171.0576 38 F 5.3306 7.4017 113.1544 55.6779 40.6397 173.6673 39 D 5.0411 8.3581 121.5977 52.2783 41.4107 174.9583 40 N 4.3050 8.9995 114.3072 56.2208 38.7281 175.6752 41 F 4.9541 8.3140 114.9198 57.7175 40.9153 174.8178 42 T 5.3177 8.3778 110.0502 60.0438 72.8599 172.9032 43 V 4.9181 8.7180 121.6744 61.1086 34.9493 173.9227 44 L 4.8750 9.3712 130.8049 54.0002 43.2044 174.7540 45 L 5.1441 8.9723 129.3143 53.2717 45.1769 174.4118 46 E 5.1216 9.6278 126.5647 54.5435 32.2686 174.5307 47 S 4.8906 8.9815 123.6034 57.0171 65.3758 174.2906 48 E 3.6181 9.8381 123.7413 57.1910 27.9640 175.2164 49 G 4.0751 8.1318 107.2738 45.4785 0.0000 172.0589 50 K 4.5600 7.8672 119.7591 54.5647 34.3426 175.6536 51 Q 4.5643 8.6062 122.3790 56.2617 29.6559 175.7590 52 Q 4.4798 9.3864 121.8090 54.0303 32.6468 173.9752 53 L 4.7029 8.6287 126.8033 54.2846 43.1439 175.4824 54 I 4.5000 8.6156 127.9005 59.4839 39.9938 174.9951 55 Y 4.7139 8.3937 124.6807 57.5185 38.6126 176.9718 56 K 4.0921 9.2458 125.0417 59.7415 32.4359 179.0856 57 H 4.1723 8.3460 113.0187 58.0493 28.6236 175.8518 58 A 4.4114 8.0749 121.6645 52.4671 19.0779 176.5249 59 I 4.3354 7.6297 117.9682 60.3487 38.3520 175.7415 60 S 4.3962 8.8274 121.0453 60.9396 62.8284 174.4132 61 T 4.6564 7.4973 114.6284 62.3246 73.0284 172.1901 62 F 5.1532 8.9314 124.4246 55.9401 41.0492 175.2223 63 A 4.9118 9.2952 127.2278 49.4642 20.2291 173.6630 64 P 4.8403 0.0000 0.0000 63.5377 32.2339 176.3002 65 Q 4.1681 9.3782 123.9532 59.0205 28.7503 176.6270 66 K 4.6197 7.8380 117.4458 54.5861 34.1604 176.1944 67 N 4.6332 8.4464 119.4274 52.9675 39.4220 175.1306 68 V 4.0324 8.0412 120.8637 61.8720 32.9073 175.1352 69 Q 4.5396 8.2916 124.0864 54.6997 29.8837 175.3078 70 L 4.8531 8.1594 121.1598 53.3119 45.9713 175.6754 71 E 4.2807 8.7840 118.2658 56.5659 29.5439 175.7702 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 5 N 8.28 4.71 0.00 2.74 2.79 0.00 0.00 7.08 6.93 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 6 I 8.46 3.54 1.85 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 1.53 0.52 0.90 0.00 0.00 7 Q 8.86 3.86 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 8 D 9.29 4.18 0.00 2.84 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 9 Q 7.92 3.97 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 10 F 8.27 3.85 0.00 3.20 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 11 L 7.82 3.58 0.00 0.65 0.70 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.14 4.38 0.00 3.17 2.98 0.00 0.00 7.26 6.69 0.00 0.00 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 Q 8.32 3.92 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 14 I 7.48 3.59 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.77 0.27 0.00 0.00 15 R 7.86 4.00 0.00 2.16 2.12 0.00 3.26 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 16 K 8.33 4.14 0.00 1.82 1.83 0.00 1.57 0.00 0.00 1.85 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 17 E 7.23 4.53 0.00 2.02 1.87 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 2.34 2.32 0.00 18 N 7.97 4.09 0.00 2.79 2.71 0.00 0.00 6.93 6.86 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 19 T 7.23 4.00 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 1.24 0.00 0.00 20 Y 8.70 4.53 0.00 3.06 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 21 V 8.89 4.98 2.15 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 0.93 0.00 0.00 1.25 0.00 0.00 22 T 8.75 4.72 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 0.32 0.00 0.00 23 V 8.77 4.45 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 0.61 0.00 0.00 1.00 0.00 0.00 24 F 8.92 4.87 0.00 2.94 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 25 L 8.75 5.08 0.00 1.87 1.73 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.78 3.94 0.00 1.63 1.71 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.14 4.50 0.00 2.39 2.77 0.00 0.00 6.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.20 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 0.00 0.00 0.00 29 F 7.45 4.71 0.00 3.29 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 30 Q 8.46 5.00 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.77 0.00 0.00 0.00 0.00 0.00 1.97 1.58 0.00 31 L 8.58 4.92 0.00 1.59 1.46 0.92 0.53 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 32 R 9.29 4.98 0.00 1.73 1.76 0.00 3.36 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 33 G 7.53 4.08 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 0.00 0.00 0.00 34 Q 7.73 4.78 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 1.81 1.40 0.00 35 V 8.24 4.37 2.04 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 0.87 0.00 0.00 0.93 0.00 0.00 36 K 9.41 4.29 0.00 1.64 1.83 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.64 7.81 37 G 7.55 4.15 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 0.00 0.00 0.00 38 F 7.40 5.33 0.00 3.25 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 8.36 5.04 0.00 2.78 2.68 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 40 N 9.00 4.30 0.00 2.33 2.20 0.00 0.00 6.64 7.45 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 41 F 8.31 4.95 0.00 3.31 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 42 T 8.38 5.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 V 8.72 4.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.14 0.00 0.00 44 L 9.37 4.88 0.00 1.79 1.69 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.97 5.14 0.00 1.83 1.50 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.63 5.12 0.00 1.96 1.74 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 2.19 2.27 0.00 47 S 8.98 4.89 0.00 3.79 3.83 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 0.00 0.00 0.00 48 E 9.84 3.62 0.00 2.16 2.03 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 2.22 2.30 0.00 49 G 8.13 4.08 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 0.00 0.00 0.00 50 K 7.87 4.56 0.00 1.90 1.92 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.71 7.81 51 Q 8.61 4.56 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 52 Q 9.39 4.48 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 53 L 8.63 4.70 0.00 1.57 1.46 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.62 4.50 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.92 0.00 0.00 55 Y 8.39 4.71 0.00 2.81 2.40 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 56 K 9.25 4.09 0.00 1.94 1.97 0.00 1.92 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.61 1.54 7.81 57 H 8.35 4.17 0.00 3.27 3.53 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.07 4.41 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.63 4.34 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.42 0.00 0.00 60 S 8.83 4.40 0.00 3.85 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 61 T 7.50 4.66 4.38 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 1.29 0.00 0.00 62 F 8.93 5.15 0.00 2.90 3.23 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 63 A 9.30 4.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.84 0.00 2.34 2.10 0.00 4.00 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 65 Q 9.38 4.17 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 66 K 7.84 4.62 0.00 1.78 1.71 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 67 N 8.45 4.63 0.00 2.74 2.78 0.00 0.00 6.87 7.68 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 68 V 8.04 4.03 2.03 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 0.59 0.00 0.00 0.47 0.00 0.00 69 Q 8.29 4.54 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 70 L 8.16 4.85 0.00 1.61 1.64 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.78 4.28 0.00 2.06 1.87 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 2.19 2.35 0.00