NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4347 8.1627 118.3248 55.3402 33.6207 173.1664 2 Q 4.7855 8.1939 120.2608 52.7931 30.9948 172.6836 3 I 4.6693 9.1631 119.9232 59.0447 42.3093 173.4041 4 F 5.4775 8.8949 120.9669 55.7229 42.3959 174.7945 5 V 4.9361 9.1721 121.7048 61.1412 34.5926 174.3921 6 K 5.8412 9.2836 126.6656 53.6927 36.1187 176.6629 7 T 4.8456 8.3121 113.5889 60.2452 69.9665 175.1750 8 L 4.2003 8.2454 120.3654 57.0939 41.7124 178.6477 9 T 4.0377 7.3381 113.7845 64.5290 68.6316 175.7826 10 G 4.0068 8.1643 109.4151 44.4238 0.0000 174.0305 11 K 3.8791 8.0342 119.2121 57.7001 33.0237 175.5996 12 T 5.1119 8.5688 120.8862 61.8105 71.0767 173.5206 13 I 4.5928 9.3921 127.8281 59.8325 40.0455 174.5510 14 T 5.1047 8.6038 122.7542 61.8505 70.6319 173.7612 15 L 4.8001 8.7399 125.5630 52.8126 45.9278 174.9688 16 E 4.8456 8.7074 123.6464 55.1626 30.6442 175.2700 17 V 4.7256 8.9137 119.4664 60.0524 36.6025 174.1488 18 E 4.7202 9.1846 120.7157 53.9482 32.0736 176.1310 19 P 4.3230 0.0000 0.0000 65.5404 31.5531 178.0246 20 S 4.4803 7.8761 109.8543 58.4708 63.7145 174.0650 21 D 4.4515 8.4623 123.4884 54.6073 41.4348 176.2434 22 T 4.7484 8.1700 113.5881 61.0123 71.5512 175.9392 23 I 3.7323 8.6625 122.9703 64.4898 36.9344 178.5228 24 E 3.9455 8.2813 120.3226 59.2654 29.5680 178.3489 25 N 4.2620 8.3276 116.6849 56.5652 38.5483 177.5275 26 V 3.5932 7.6139 118.9412 65.9217 31.5885 178.3001 27 K 4.2752 8.4292 119.4000 58.8207 31.7449 179.2220 28 A 4.0022 8.1772 121.3983 54.9803 18.2556 179.8704 29 K 4.0885 7.9586 116.9941 59.4554 32.0316 179.7053 30 I 3.6916 7.9799 120.3841 64.2693 37.0160 178.0670 31 Q 4.1003 8.1222 121.7754 58.7976 28.6625 177.9371 32 D 4.3724 7.9801 118.4887 57.5501 40.9991 178.7516 33 K 4.2949 7.9374 116.6712 57.4948 32.5523 177.4019 34 E 4.4943 8.4160 116.0130 54.8796 31.4885 177.0984 35 G 3.8806 8.7580 106.5290 45.4139 0.0000 173.5015 36 I 4.0035 7.3721 121.6379 59.7643 37.6525 173.8479 37 P 4.4980 0.0000 0.0000 61.6321 32.1914 175.6288 38 P 4.2488 0.0000 0.0000 65.8124 31.4046 178.4671 39 D 4.4110 8.0614 116.0418 55.7681 39.5774 176.8350 40 Q 4.3260 8.3436 117.8825 56.0999 29.3602 174.5230 41 Q 4.8152 7.9952 119.0112 54.2349 31.0513 174.4529 42 R 4.6296 9.0223 124.6436 54.4640 32.8859 174.1346 43 L 5.2899 8.4982 125.6615 53.1271 44.5837 175.3658 44 I 5.1622 8.6513 123.3223 59.6826 41.4492 174.3354 45 F 4.8773 9.0669 126.9585 57.4648 43.2982 173.9687 46 A 3.5124 8.7117 127.8312 53.1795 15.8338 178.7372 47 G 3.9851 8.2814 107.8089 47.0571 0.0000 174.7202 48 K 4.4315 7.6162 119.9403 54.9688 33.3629 175.8700 49 Q 4.5338 8.4897 122.5129 55.9480 29.2921 175.6618 50 L 4.0376 8.8365 127.8887 54.6748 42.8071 177.0800 51 E 4.4188 9.4065 122.5110 55.7677 30.9621 174.5005 52 D 4.3846 9.1228 124.0804 56.8024 41.0773 178.7798 53 G 3.8513 7.9601 104.9705 46.5022 0.0000 173.8569 54 R 4.2850 7.7493 119.6236 55.5005 31.4866 176.2421 55 T 4.8020 8.6553 111.3098 60.3952 70.5990 175.9988 56 L 4.1163 8.7323 122.7773 57.9566 41.9343 180.3399 57 S 4.1956 8.2477 113.3549 61.1169 63.2316 176.0431 58 D 4.2103 7.9528 120.4376 56.9459 40.5372 176.8333 59 Y 4.6179 7.3925 112.8568 56.8882 38.1293 175.0137 60 N 4.1834 8.0863 116.1781 54.0788 36.8926 174.6718 61 I 3.5531 7.7150 118.9542 61.1207 37.3999 175.7129 62 Q 4.7526 8.1727 125.7063 53.2891 31.6722 174.8745 63 K 4.2156 8.2770 117.5877 58.5354 33.0040 176.5730 64 E 3.6694 9.3102 121.9953 56.6568 29.0390 174.4657 65 S 4.6035 7.7639 113.4225 59.1617 64.2581 173.0775 66 T 5.2577 8.7061 118.6569 62.0224 70.6599 173.7313 67 L 5.0295 9.2071 125.9676 53.5413 45.1208 174.9483 68 H 5.3249 8.9453 118.3251 54.3822 31.1281 173.7435 69 L 5.1092 9.0385 124.8902 53.3632 44.2705 175.2595 70 V 4.5338 8.9445 125.6807 60.6971 35.3880 174.0575 71 L 4.5525 8.5670 128.3703 55.0041 42.7995 175.6423 72 R 4.5800 8.6450 127.1434 54.7263 31.3388 175.7879 73 L 4.5499 8.4013 126.0910 53.1240 43.5510 176.8402 74 R 4.1017 8.3526 117.7718 56.7853 29.9632 177.0008 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 8.16 4.43 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 2 Q 8.19 4.79 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 1.75 2.19 0.00 3 I 9.16 4.67 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.76 0.00 0.00 4 F 8.89 5.48 0.00 3.05 2.91 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 5 V 9.17 4.94 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.28 5.84 0.00 1.74 1.67 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.22 7.81 7 T 8.31 4.85 4.25 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 1.23 0.00 0.00 8 L 8.25 4.20 0.00 1.65 1.75 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.34 4.04 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 10 G 8.16 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 0.00 0.00 0.00 11 K 8.03 3.88 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.51 7.81 12 T 8.57 5.11 4.23 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 1.22 0.00 0.00 13 I 9.39 4.59 1.98 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 1.25 0.78 0.93 0.00 0.00 14 T 8.60 5.10 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 1.22 0.00 0.00 15 L 8.74 4.80 0.00 1.50 1.43 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.85 0.00 1.93 1.81 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 2.19 2.28 0.00 17 V 8.91 4.73 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 0.68 0.00 0.00 0.91 0.00 0.00 18 E 9.18 4.72 0.00 2.03 1.79 0.00 0.00 0.00 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 2.22 0.00 19 P 0.00 4.32 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.88 4.48 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.45 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.75 4.45 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 1.21 0.00 0.00 23 I 8.66 3.73 2.23 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 1.79 1.14 0.91 0.00 0.00 24 E 8.28 3.95 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 25 N 8.33 4.26 0.00 3.05 2.86 0.00 0.00 6.68 7.19 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 26 V 7.61 3.59 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 1.07 0.00 0.00 0.93 0.00 0.00 27 K 8.43 4.28 0.00 2.01 1.84 0.00 1.89 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.51 7.81 28 A 8.18 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 29 K 7.96 4.09 0.00 2.01 1.85 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.54 7.81 30 I 7.98 3.69 2.12 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 1.41 0.79 0.95 0.00 0.00 31 Q 8.12 4.10 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 7.98 4.37 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 33 K 7.94 4.29 0.00 1.74 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 34 E 8.42 4.49 0.00 1.98 1.94 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 2.32 2.36 0.00 35 G 8.76 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 0.00 0.00 0.00 36 I 7.37 4.00 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 1.42 1.13 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.40 1.97 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 38 P 0.00 4.25 0.00 2.17 2.20 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.06 4.41 0.00 2.78 2.81 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 40 Q 8.34 4.33 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.00 4.82 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 42 R 9.02 4.63 0.00 1.84 1.88 0.00 3.05 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 L 8.50 5.29 0.00 1.58 1.50 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.65 5.16 1.93 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 1.11 0.77 0.95 0.00 0.00 45 F 9.07 4.88 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.71 3.51 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.28 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 48 K 7.62 4.43 0.00 1.94 1.79 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.64 7.81 49 Q 8.49 4.53 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.84 4.04 0.00 1.42 1.35 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.41 4.42 0.00 1.65 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 2.22 2.16 0.00 52 D 9.12 4.38 0.00 2.75 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 53 G 7.96 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.75 4.28 0.00 2.05 1.64 0.00 3.02 0.00 0.00 2.76 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 55 T 8.66 4.80 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 1.19 0.00 0.00 56 L 8.73 4.12 0.00 1.86 1.69 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.20 0.00 4.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.95 4.21 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.39 4.62 0.00 3.16 2.98 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 60 N 8.09 4.18 0.00 2.97 2.97 0.00 0.00 6.94 7.13 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 61 I 7.72 3.55 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.04 0.51 0.00 0.00 62 Q 8.17 4.75 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 63 K 8.28 4.22 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.42 7.81 64 E 9.31 3.67 0.00 2.09 2.22 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 2.33 2.65 0.00 65 S 7.76 4.60 0.00 3.90 3.77 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 66 T 8.71 5.26 4.34 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 1.23 0.00 0.00 67 L 9.21 5.03 0.00 1.54 1.58 0.83 0.66 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 68 H 8.95 5.32 0.00 3.17 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.04 5.11 0.00 1.71 1.52 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.94 4.53 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.57 4.55 0.00 1.68 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.64 4.58 0.00 1.85 1.80 0.00 3.31 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.40 4.55 0.00 1.65 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.35 4.10 0.00 1.80 1.85 0.00 3.40 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 1.64 1.57 0.00