NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4432 0.0000 0.0000 62.4219 33.6672 175.3191 2 I 4.8126 8.2064 122.4989 59.2639 40.1378 172.8246 3 A 4.5425 9.0692 130.7197 50.4133 21.1746 174.9653 4 Q 4.8512 8.6853 124.3659 54.5681 30.8539 174.5706 5 I 4.3705 8.8881 128.5366 60.0102 39.2728 174.5086 6 H 5.6919 8.9861 124.9895 54.0971 29.6683 174.8220 7 I 4.6442 8.0161 115.7425 58.6143 41.3801 174.8525 8 R 4.5423 8.4826 122.8583 56.2089 30.3361 176.5750 9 E 4.1706 9.1155 121.9071 56.3753 31.1750 175.7342 10 G 3.4200 8.0165 109.6742 45.4823 0.0000 173.8363 11 R 4.7162 7.6318 118.0134 52.7861 34.1029 176.1610 12 S 4.2665 8.4401 115.6095 58.4829 64.7874 174.9273 13 D 4.3543 8.7563 124.0980 57.9893 40.7157 178.9657 14 E 3.9189 8.3026 118.1998 59.8715 29.4639 179.3751 15 Q 3.9794 7.8117 118.6779 59.0329 29.0883 178.1382 16 K 4.0147 8.0491 119.5688 59.3633 32.0345 179.1489 17 E 3.9488 8.4558 119.2192 59.8238 29.3164 179.6114 18 T 3.9180 7.8864 115.5911 66.1838 68.3995 176.4727 19 L 3.9078 7.9346 122.3597 58.3312 42.0943 178.7915 20 I 3.6493 7.8651 119.6846 64.5757 37.1406 178.1301 21 R 3.8632 7.9497 118.8985 59.6483 29.8990 178.2591 22 E 3.9582 8.4407 118.5492 59.5342 29.3990 179.7211 23 V 3.5725 8.0245 118.2781 65.9811 31.5222 178.1205 24 S 4.1142 8.1865 114.9836 61.8349 62.7192 176.7003 25 E 3.9531 8.3333 120.8808 59.1815 29.1017 179.1664 26 A 3.9968 8.2053 120.9924 55.1942 18.3987 179.7246 27 I 3.6131 8.0294 118.4739 64.5902 37.2466 178.4836 28 S 4.0570 8.3290 114.1933 61.4786 62.3265 175.9194 29 R 3.8437 8.5116 121.7597 59.7573 29.6646 178.6238 30 S 4.2763 8.3705 112.8506 60.3021 63.2742 175.1236 31 L 4.3753 7.9372 120.6672 53.1927 42.9680 175.2579 32 D 4.2900 7.7950 117.2270 55.5941 39.8537 172.8667 33 A 4.8218 7.7507 120.3477 49.4065 22.4125 174.9571 34 P 4.4045 0.0000 0.0000 62.2771 32.4411 177.3772 35 L 3.9584 8.8911 123.3342 58.5362 41.7290 179.7213 36 T 3.8835 7.9779 113.3045 66.6548 68.3939 174.9749 37 S 4.3410 7.5936 113.2382 59.1266 63.6985 174.1140 38 V 4.1502 7.4184 122.7103 62.4962 32.0538 175.3653 39 R 4.6816 8.9475 126.6037 54.2905 33.5912 174.4659 40 V 4.7697 8.5034 123.2948 61.1538 34.0140 174.3413 41 I 4.3698 9.0247 129.2189 59.7392 39.3676 174.8590 42 I 4.5896 8.3877 128.5086 60.4334 37.7576 174.6677 43 T 4.5288 8.5893 123.2816 60.1624 69.3698 173.4533 44 E 4.7119 8.7473 127.7886 56.2105 31.1245 175.7580 45 M 4.6904 9.1263 122.9445 53.2254 34.2575 175.8907 46 A 4.8138 8.5912 126.3418 51.3097 19.2854 178.2568 47 K 3.9310 8.8481 119.6150 58.8799 32.2561 178.4444 48 G 4.0395 7.9231 105.3798 45.5561 0.0000 173.3476 49 H 4.9917 8.4184 114.7115 54.9886 29.6486 173.7293 50 F 5.0463 8.1268 122.4150 56.3743 41.7868 173.3500 51 G 4.0808 8.5006 116.3494 43.5866 0.0000 171.9046 52 I 4.0792 7.8554 124.2361 60.0610 38.7910 175.5855 53 G 3.7213 9.2301 114.4696 46.5663 0.0000 174.7777 54 G 3.7431 8.5623 109.7640 45.5658 0.0000 174.7391 55 E 4.5835 7.2036 115.4595 54.0276 31.9567 180.8816 56 L 4.4367 8.0677 119.2280 54.6407 43.6487 178.2744 57 A 3.7916 8.9208 125.9898 56.4433 18.2464 181.5509 58 S 3.9254 7.3547 111.6706 61.5886 63.3302 176.4997 59 K 4.1869 7.9486 122.4837 59.8745 32.0897 179.8896 60 V 3.7168 7.9287 120.6180 63.6562 31.8358 178.6343 61 R 4.3105 7.8564 121.1089 57.6279 30.7846 175.8640 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 P 0.00 4.44 0.00 2.08 2.03 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.21 4.81 1.86 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 0.71 0.90 0.00 0.00 3 A 9.07 4.54 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 4 Q 8.69 4.85 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.69 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 5 I 8.89 4.37 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.87 0.00 0.00 6 H 8.99 5.69 0.00 2.89 3.06 0.00 5.89 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 7 I 8.02 4.64 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 0.86 0.00 0.00 8 R 8.48 4.54 0.00 1.73 1.94 0.00 3.30 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 9 E 9.12 4.17 0.00 2.02 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 0.00 2.30 2.27 0.00 10 G 8.02 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 0.00 0.00 0.00 11 R 7.63 4.72 0.00 1.75 1.91 0.00 3.22 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 12 S 8.44 4.27 0.00 4.21 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 13 D 8.76 4.35 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.92 0.00 2.04 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 2.41 2.46 0.00 15 Q 7.81 3.98 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 16 K 8.05 4.01 0.00 2.09 1.83 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 17 E 8.46 3.95 0.00 2.29 1.99 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 2.32 2.35 0.00 18 T 7.89 3.92 4.39 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 1.21 0.00 0.00 19 L 7.93 3.91 0.00 1.76 1.87 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.87 3.65 2.01 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 1.39 0.59 0.90 0.00 0.00 21 R 7.95 3.86 0.00 1.88 2.04 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 22 E 8.44 3.96 0.00 1.99 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 2.50 2.46 0.00 23 V 8.02 3.57 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 1.11 0.00 0.00 0.97 0.00 0.00 24 S 8.19 4.11 0.00 4.14 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.95 0.00 2.13 1.99 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 2.40 2.46 0.00 26 A 8.21 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.61 2.00 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 1.40 0.67 0.91 0.00 0.00 28 S 8.33 4.06 0.00 3.86 4.01 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 29 R 8.51 3.84 0.00 1.95 2.10 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 S 8.37 4.28 0.00 4.04 3.98 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 0.00 0.00 0.00 31 L 7.94 4.38 0.00 1.63 1.73 0.92 0.88 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 32 D 7.79 4.29 0.00 2.79 2.67 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 33 A 7.75 4.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 1.98 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 35 L 8.89 3.96 0.00 1.70 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.98 3.88 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 37 S 7.59 4.34 0.00 3.98 3.98 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 0.00 0.00 0.00 38 V 7.42 4.15 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 0.75 0.00 0.00 0.96 0.00 0.00 39 R 8.95 4.68 0.00 1.76 1.76 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.50 4.77 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 9.02 4.37 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.87 0.00 0.00 42 I 8.39 4.59 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.88 0.00 0.00 43 T 8.59 4.53 4.19 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 0.00 0.00 0.00 1.01 0.00 0.00 44 E 8.75 4.71 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 45 M 9.13 4.69 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 46 A 8.59 4.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.85 3.93 0.00 1.75 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.47 7.81 48 G 7.92 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 49 H 8.42 4.99 0.00 3.29 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.13 5.05 0.00 2.96 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 51 G 8.50 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 52 I 7.86 4.08 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.06 0.84 0.00 0.00 53 G 9.23 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.56 3.74 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 0.00 0.00 0.00 55 E 7.20 4.58 0.00 2.00 1.82 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 0.00 2.17 2.13 0.00 56 L 8.07 4.44 0.00 1.65 1.58 0.91 1.01 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 57 A 8.92 3.79 1.18 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 0.00 0.00 0.00 0.00 0.00 58 S 7.35 3.93 0.00 3.87 3.89 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 59 K 7.95 4.19 0.00 1.91 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 60 V 7.93 3.72 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 0.78 0.00 0.00 0.93 0.00 0.00 61 R 7.86 4.31 0.00 1.90 1.91 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00