NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1634 7.9829 118.5495 59.9990 38.4026 178.3104 4 V 3.5347 7.7770 121.5476 65.1104 31.6103 178.4257 5 Q 4.1622 8.2393 120.4644 59.0672 29.3320 177.7769 6 Q 3.9861 7.9838 120.1130 59.2396 29.2297 177.9553 7 Q 4.0499 8.2850 119.1595 58.8352 28.6202 178.4628 8 N 4.3821 8.1697 117.7522 56.2374 38.5865 177.1662 9 N 4.3242 8.0948 117.7305 56.3674 38.6455 177.4662 10 L 4.0085 8.0294 120.3404 57.6735 41.6088 179.3462 11 L 3.9653 8.0512 120.3025 58.2180 42.0326 179.2366 12 R 4.1693 8.4501 119.2861 58.5826 29.8766 178.9265 13 A 4.0025 8.0386 120.6020 55.2434 18.4169 179.7441 14 I 3.6658 7.9227 118.3723 64.5317 36.8026 178.5430 15 E 3.9682 8.5161 119.4470 59.4223 29.3180 179.3372 16 A 4.1639 8.2032 120.8170 55.2501 18.3845 179.7553 17 Q 4.0165 8.5449 117.0153 58.9053 28.6462 178.6604 18 Q 3.9787 8.1735 120.9546 59.3206 29.0640 177.9026 19 H 4.1082 8.1116 116.8584 58.8631 28.7748 177.7124 20 L 4.0358 8.0198 120.7192 57.7945 41.4017 179.5672 21 L 4.0169 8.3344 119.2868 58.0663 41.5663 179.7125 22 Q 4.0544 8.3760 117.9604 58.7177 28.5594 178.8040 23 L 4.1137 8.0059 120.6609 57.9512 41.6021 179.5574 24 T 3.9955 8.1832 109.9068 64.6412 68.6174 176.8668 25 V 3.6762 8.1104 121.2152 65.5745 31.6107 177.7302 26 W 4.2187 8.5730 128.2987 60.4885 30.5948 178.0705 27 G 3.6893 8.5952 105.6448 47.9770 0.0000 175.7155 28 I 3.6686 8.0784 122.5145 63.9932 37.0774 178.6863 29 K 3.9113 8.3193 119.5467 59.5134 31.8222 179.4494 30 Q 3.7309 7.6620 118.2891 58.7736 28.3078 178.7617 31 L 3.9363 7.4424 118.9067 57.7536 42.0365 179.3013 32 Q 4.1136 8.2459 118.0385 59.0059 28.5129 178.7645 33 A 4.3062 8.6846 123.1489 54.4216 18.1170 179.4783 34 A 3.9578 7.7767 118.9164 54.6008 18.4748 179.1230 35 S 4.5206 8.4828 111.0824 59.5172 63.8243 174.8473 36 G 3.8324 7.2615 109.0372 44.9596 0.0000 172.0553 37 G 3.6682 8.1163 108.6403 46.1483 0.0000 173.4258 38 R 4.5901 8.4790 119.2764 55.7351 30.5623 178.6564 39 G 3.6690 8.2342 110.8283 48.8184 0.0000 176.1459 40 G 3.2359 7.5837 106.2811 46.5695 0.0000 174.3474 41 W 5.2769 7.8654 120.0603 57.1429 29.5101 177.7435 42 M 4.2333 7.9127 122.7991 58.2896 31.2127 178.3223 43 E 4.0542 8.2865 119.3219 58.7921 29.9224 178.2121 44 W 4.4482 8.5132 128.0063 60.7205 30.8325 177.4211 45 D 4.2605 8.8664 119.1581 57.3723 40.2250 178.7540 46 R 3.8692 8.0117 119.0632 59.4903 30.0200 178.3812 47 E 3.8624 8.5291 118.6777 59.4435 29.4360 179.4071 48 I 3.5783 7.7165 119.9545 64.4574 37.1374 178.1953 49 N 4.2622 8.4577 117.6271 56.3218 38.3050 177.2779 50 N 4.2135 8.2874 117.9360 56.6566 38.5923 177.2052 51 Y 4.1099 7.9734 118.1755 61.3010 37.7790 178.7904 52 T 3.8083 8.1620 116.9629 66.5457 68.4892 176.9578 53 S 4.0532 7.9794 117.1570 61.3875 62.8521 176.6235 54 L 3.9824 8.0051 121.6745 57.9858 41.3570 179.6615 55 I 3.7358 8.0345 119.8884 64.7135 36.9367 178.1014 56 H 4.2340 8.4820 117.3369 59.1404 28.4584 178.0193 57 S 4.1315 8.2233 116.7524 61.6361 62.6291 176.8064 58 L 4.0148 8.0919 121.6784 57.7951 41.3534 179.6708 59 I 3.7392 8.1803 120.2650 64.2302 36.8053 178.0838 60 E 3.9204 8.2314 119.4719 59.2441 29.5605 178.1918 61 E 4.0723 8.2942 118.5715 59.4783 29.8207 178.7215 62 S 4.2496 8.3146 114.4310 61.2394 62.8880 174.9483 63 Q 4.3030 7.6600 124.1817 56.0593 28.7565 175.5155 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 3 I 7.98 4.16 1.87 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 1.27 0.64 0.91 0.00 0.00 4 V 7.78 3.53 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 0.73 0.00 0.00 0.93 0.00 0.00 5 Q 8.24 4.16 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 6 Q 7.98 3.99 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 7 Q 8.28 4.05 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 8 N 8.17 4.38 0.00 2.94 2.86 0.00 0.00 6.93 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 9 N 8.09 4.32 0.00 2.98 2.86 0.00 0.00 7.04 6.57 0.00 0.00 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 L 8.03 4.01 0.00 1.84 1.71 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.05 3.97 0.00 1.85 1.84 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.45 4.17 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 A 8.04 4.00 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 14 I 7.92 3.67 2.03 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 0.89 0.91 0.00 0.00 15 E 8.52 3.97 0.00 2.19 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 2.34 2.46 0.00 16 A 8.20 4.16 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 17 Q 8.54 4.02 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 18 Q 8.17 3.98 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 19 H 8.11 4.11 0.00 3.51 3.33 0.00 5.87 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 L 8.02 4.04 0.00 1.93 1.73 0.93 0.55 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 21 L 8.33 4.02 0.00 1.84 1.70 0.89 0.86 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 22 Q 8.38 4.05 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 23 L 8.01 4.11 0.00 1.93 1.77 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.18 4.00 4.30 0.00 0.00 0.00 0.00 0.00 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 25 V 8.11 3.68 2.29 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 1.05 0.00 0.00 0.88 0.00 0.00 26 W 8.57 4.22 0.00 3.58 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.08 3.67 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.59 0.00 0.00 29 K 8.32 3.91 0.00 1.80 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.33 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.87 7.81 30 Q 7.66 3.73 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 31 L 7.44 3.94 0.00 1.69 1.65 0.87 0.91 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 32 Q 8.25 4.11 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.94 2.21 0.00 33 A 8.68 4.31 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 34 A 7.78 3.96 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 35 S 8.48 4.52 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.26 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 0.00 0.00 0.00 37 G 8.12 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 4.59 0.00 1.99 2.17 0.00 3.34 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 39 G 8.23 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.58 3.24 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 0.00 0.00 0.00 0.00 41 W 7.87 5.28 0.00 3.53 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 42 M 7.91 4.23 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.82 0.00 43 E 8.29 4.05 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 44 W 8.51 4.45 0.00 3.64 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.87 4.26 0.00 3.07 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.01 3.87 0.00 2.04 2.12 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 47 E 8.53 3.86 0.00 2.15 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 2.36 2.59 0.00 48 I 7.72 3.58 1.62 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.09 0.68 0.00 0.00 49 N 8.46 4.26 0.00 2.79 2.83 0.00 0.00 7.09 6.82 0.00 0.00 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 N 8.29 4.21 0.00 2.70 2.56 0.00 0.00 7.04 8.32 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 51 Y 7.97 4.11 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.16 3.81 4.31 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 0.98 0.00 0.00 53 S 7.98 4.05 0.00 4.00 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 54 L 8.01 3.98 0.00 1.94 1.75 0.90 0.69 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 55 I 8.03 3.74 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 1.53 0.81 0.92 0.00 0.00 56 H 8.48 4.23 0.00 3.34 3.32 0.00 5.64 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 57 S 8.22 4.13 0.00 4.05 3.92 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 0.00 0.00 0.00 58 L 8.09 4.01 0.00 1.86 1.72 0.94 0.73 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 59 I 8.18 3.74 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.93 0.00 0.00 60 E 8.23 3.92 0.00 2.00 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 0.00 2.32 2.36 0.00 61 E 8.29 4.07 0.00 2.02 2.18 0.00 0.00 0.00 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 2.35 0.00 62 S 8.31 4.25 0.00 3.99 3.92 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 0.00 0.00 0.00 63 Q 7.66 4.30 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00